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 1aa4_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 KAFEKLLENG 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 0.000 176.650 176.870 -0.366 0.000 1.165 4 L CA 0.000 54.701 54.840 -0.231 0.000 0.813 4 L CB 0.000 41.918 42.059 -0.235 0.000 0.961 5 V N 2.950 122.644 119.914 -0.368 0.000 2.483 5 V HA 0.271 nan 4.120 nan 0.000 0.295 5 V C -0.967 174.829 176.094 -0.497 0.000 1.035 5 V CA -1.262 60.827 62.300 -0.351 0.000 0.896 5 V CB 1.379 33.093 31.823 -0.182 0.000 0.986 5 V HN 0.016 8.038 8.190 -0.280 0.000 0.447 6 H N 5.824 124.693 119.070 -0.335 0.000 2.887 6 H HA 0.287 nan 4.556 nan 0.000 0.300 6 H C -1.517 173.482 175.328 -0.547 0.000 1.038 6 H CA -1.089 54.553 56.048 -0.675 0.000 1.352 6 H CB 1.169 30.213 29.762 -1.196 0.000 1.473 6 H HN 0.459 8.544 8.280 -0.325 0.000 0.503 7 V N 3.478 123.282 119.914 -0.184 0.000 2.383 7 V HA 0.283 nan 4.120 nan 0.000 0.275 7 V C -0.570 175.548 176.094 0.041 0.000 1.036 7 V CA -1.814 60.427 62.300 -0.098 0.000 0.889 7 V CB -0.176 31.622 31.823 -0.042 0.000 0.985 7 V HN 0.440 8.565 8.190 -0.109 0.000 0.459 8 A N 8.372 131.143 122.820 -0.081 0.000 2.548 8 A HA -0.082 nan 4.320 nan 0.000 0.247 8 A C -1.349 176.267 177.584 0.053 0.000 1.067 8 A CA 0.883 52.904 52.037 -0.025 0.000 0.757 8 A CB 0.316 19.164 19.000 -0.253 0.000 0.996 8 A HN 0.586 8.572 8.150 -0.274 0.000 0.504 9 S N 4.532 120.280 115.700 0.080 0.000 2.733 9 S HA 0.108 nan 4.470 nan 0.000 0.307 9 S C -0.752 173.910 174.600 0.103 0.000 1.127 9 S CA -1.162 57.090 58.200 0.086 0.000 1.097 9 S CB 1.077 64.331 63.200 0.090 0.000 1.003 9 S HN 0.149 8.420 8.310 0.077 0.085 0.477 10 V N 6.076 126.064 119.914 0.123 0.000 2.644 10 V HA -0.147 nan 4.120 nan 0.000 0.305 10 V C 0.405 176.620 176.094 0.200 0.000 1.053 10 V CA 0.439 62.851 62.300 0.187 0.000 1.186 10 V CB 0.180 32.121 31.823 0.197 0.000 0.895 10 V HN 0.215 8.470 8.190 0.107 0.000 0.490 11 E N 5.792 126.166 120.200 0.290 0.000 2.568 11 E HA -0.233 nan 4.350 nan 0.000 0.262 11 E C -0.391 176.286 176.600 0.128 0.000 0.961 11 E CA 0.897 57.449 56.400 0.253 0.000 0.945 11 E CB 0.514 30.468 29.700 0.422 0.000 0.924 11 E HN 0.295 8.890 8.360 0.392 0.000 0.467 12 K N 5.985 126.429 120.400 0.073 0.000 2.436 12 K HA -0.247 nan 4.320 nan 0.000 0.282 12 K C 0.708 177.281 176.600 -0.046 0.000 1.044 12 K CA 1.238 57.540 56.287 0.025 0.000 1.028 12 K CB 0.176 32.688 32.500 0.021 0.000 0.919 12 K HN 0.507 8.815 8.250 0.096 0.000 0.474 13 G N 4.290 113.078 108.800 -0.021 0.000 2.196 13 G HA2 -0.365 nan 3.960 nan 0.000 0.268 13 G HA3 -0.365 nan 3.960 nan 0.000 0.268 13 G C 0.158 174.996 174.900 -0.103 0.000 0.975 13 G CA 0.549 45.618 45.100 -0.051 0.000 0.648 13 G HN 0.489 8.790 8.290 0.018 0.000 0.538 14 R N -0.171 120.251 120.500 -0.130 0.000 2.582 14 R HA 0.086 nan 4.340 nan 0.000 0.271 14 R C -0.760 175.558 176.300 0.029 0.000 1.078 14 R CA -0.788 55.169 56.100 -0.238 0.000 1.127 14 R CB 0.508 30.523 30.300 -0.474 0.000 1.038 14 R HN -0.336 7.816 8.270 -0.073 0.075 0.500 15 S N 2.898 118.605 115.700 0.012 0.000 2.911 15 S HA 0.332 nan 4.470 nan 0.000 0.319 15 S C 0.025 174.714 174.600 0.147 0.000 1.154 15 S CA -1.243 57.082 58.200 0.208 0.000 0.857 15 S CB 1.552 64.830 63.200 0.131 0.000 1.279 15 S HN 0.224 8.774 8.310 -0.174 -0.344 0.593 16 Y N 2.276 122.489 120.300 -0.146 0.000 2.096 16 Y HA -0.492 nan 4.550 nan 0.000 0.278 16 Y C 1.017 176.835 175.900 -0.137 0.000 1.192 16 Y CA 4.199 62.010 58.100 -0.482 0.000 1.143 16 Y CB 0.134 38.391 38.460 -0.338 0.000 0.963 16 Y HN 0.431 8.843 8.280 0.221 0.000 0.505 17 E N -3.150 116.910 120.200 -0.233 0.000 2.160 17 E HA -0.401 nan 4.350 nan 0.000 0.195 17 E C 2.544 178.983 176.600 -0.268 0.000 0.991 17 E CA 3.122 59.354 56.400 -0.279 0.000 0.810 17 E CB -0.889 28.771 29.700 -0.067 0.000 0.742 17 E HN 0.095 8.475 8.360 0.032 0.000 0.466 18 D N -0.099 120.136 120.400 -0.276 0.000 2.097 18 D HA -0.233 nan 4.640 nan 0.000 0.195 18 D C 2.384 178.515 176.300 -0.282 0.000 0.989 18 D CA 3.444 57.248 54.000 -0.327 0.000 0.827 18 D CB -0.183 40.217 40.800 -0.666 0.000 0.966 18 D HN -0.544 7.658 8.370 -0.254 0.016 0.456 19 F N -1.057 118.860 119.950 -0.054 0.000 2.186 19 F HA -0.205 nan 4.527 nan 0.000 0.299 19 F C 1.979 177.487 175.800 -0.487 0.000 1.090 19 F CA 3.108 61.034 58.000 -0.123 0.000 1.307 19 F CB -0.410 38.699 39.000 0.182 0.000 1.019 19 F HN -0.890 7.245 8.300 -0.275 0.000 0.489 20 Q N -0.538 119.063 119.800 -0.331 0.000 2.170 20 Q HA -0.356 nan 4.340 nan 0.000 0.203 20 Q C 2.011 177.835 176.000 -0.292 0.000 0.976 20 Q CA 3.203 58.754 55.803 -0.420 0.000 0.858 20 Q CB -0.648 27.798 28.738 -0.487 0.000 0.907 20 Q HN 0.233 8.305 8.270 -0.331 0.000 0.433 21 K N -0.412 119.828 120.400 -0.266 0.000 2.057 21 K HA -0.293 nan 4.320 nan 0.000 0.206 21 K C 2.428 178.773 176.600 -0.427 0.000 1.050 21 K CA 3.407 59.566 56.287 -0.214 0.000 0.935 21 K CB -0.138 32.309 32.500 -0.088 0.000 0.715 21 K HN -0.471 7.520 8.250 -0.266 0.099 0.439 22 V N 0.390 119.867 119.914 -0.728 0.000 2.307 22 V HA -0.372 nan 4.120 nan 0.000 0.245 22 V C 1.662 177.466 176.094 -0.484 0.000 1.045 22 V CA 4.465 66.244 62.300 -0.870 0.000 1.024 22 V CB -1.065 30.258 31.823 -0.833 0.000 0.651 22 V HN -0.523 7.296 8.190 -0.619 0.000 0.449 23 Y N -0.164 119.772 120.300 -0.608 0.000 2.040 23 Y HA -0.666 nan 4.550 nan 0.000 0.275 23 Y C 1.565 177.282 175.900 -0.304 0.000 1.171 23 Y CA 4.003 61.780 58.100 -0.538 0.000 1.123 23 Y CB -0.229 37.751 38.460 -0.801 0.000 0.963 23 Y HN 0.362 8.347 8.280 -0.493 0.000 0.493 24 N N -1.485 117.241 118.700 0.043 0.000 2.149 24 N HA -0.531 nan 4.740 nan 0.000 0.188 24 N C 2.086 177.569 175.510 -0.045 0.000 1.019 24 N CA 2.954 56.032 53.050 0.045 0.000 0.857 24 N CB -0.165 38.352 38.487 0.050 0.000 0.997 24 N HN -0.070 8.328 8.380 0.030 0.000 0.426 25 A N 0.782 123.556 122.820 -0.076 0.000 1.877 25 A HA -0.258 nan 4.320 nan 0.000 0.216 25 A C 1.934 179.458 177.584 -0.100 0.000 1.186 25 A CA 3.064 55.080 52.037 -0.036 0.000 0.620 25 A CB -0.642 18.406 19.000 0.079 0.000 0.822 25 A HN -0.237 7.831 8.150 -0.122 0.009 0.443 26 I N -1.332 119.140 120.570 -0.163 0.000 2.163 26 I HA -0.613 nan 4.170 nan 0.000 0.243 26 I C 1.842 177.919 176.117 -0.065 0.000 1.085 26 I CA 4.070 65.304 61.300 -0.110 0.000 1.347 26 I CB -0.249 37.640 38.000 -0.185 0.000 1.044 26 I HN -0.205 7.874 8.210 -0.219 0.000 0.408 27 A N -0.364 122.337 122.820 -0.199 0.000 1.940 27 A HA -0.275 nan 4.320 nan 0.000 0.219 27 A C 2.232 179.804 177.584 -0.020 0.000 1.176 27 A CA 3.232 55.184 52.037 -0.142 0.000 0.631 27 A CB -0.666 18.221 19.000 -0.189 0.000 0.814 27 A HN 0.239 8.199 8.150 -0.315 0.000 0.446 28 L N -2.112 119.101 121.223 -0.016 0.000 2.109 28 L HA -0.260 nan 4.340 nan 0.000 0.207 28 L C 1.903 178.782 176.870 0.014 0.000 1.086 28 L CA 2.359 57.203 54.840 0.007 0.000 0.760 28 L CB -0.762 41.295 42.059 -0.003 0.000 0.910 28 L HN 0.147 8.351 8.230 -0.043 0.000 0.437 29 K N -0.002 120.392 120.400 -0.010 0.000 2.217 29 K HA -0.219 nan 4.320 nan 0.000 0.202 29 K C 2.502 179.217 176.600 0.192 0.000 1.051 29 K CA 3.179 59.448 56.287 -0.029 0.000 0.952 29 K CB -0.206 32.109 32.500 -0.309 0.000 0.736 29 K HN -0.542 7.606 8.250 -0.036 0.080 0.453 30 L N -1.888 119.502 121.223 0.279 0.000 2.131 30 L HA -0.347 nan 4.340 nan 0.000 0.210 30 L C 1.708 178.679 176.870 0.168 0.000 1.092 30 L CA 2.925 57.912 54.840 0.244 0.000 0.759 30 L CB -0.317 41.804 42.059 0.102 0.000 0.903 30 L HN 0.066 8.425 8.230 0.215 0.000 0.435 31 R N -2.603 117.968 120.500 0.117 0.000 2.090 31 R HA -0.206 nan 4.340 nan 0.000 0.228 31 R C 1.663 178.027 176.300 0.107 0.000 1.110 31 R CA 2.413 58.573 56.100 0.100 0.000 0.973 31 R CB 0.176 30.520 30.300 0.073 0.000 0.869 31 R HN -0.743 7.575 8.270 0.097 0.011 0.440 32 E N -1.214 119.045 120.200 0.097 0.000 2.028 32 E HA -0.183 nan 4.350 nan 0.000 0.190 32 E C 1.687 178.358 176.600 0.118 0.000 0.984 32 E CA 2.329 58.779 56.400 0.084 0.000 0.800 32 E CB 0.405 30.130 29.700 0.040 0.000 0.758 32 E HN -0.506 7.832 8.360 0.087 0.075 0.448 33 D N 0.542 121.044 120.400 0.170 0.000 2.934 33 D HA 0.095 nan 4.640 nan 0.000 0.237 33 D C 0.123 176.591 176.300 0.279 0.000 1.158 33 D CA -0.141 54.009 54.000 0.251 0.000 0.971 33 D CB -1.935 39.073 40.800 0.347 0.000 1.123 33 D HN -0.091 8.384 8.370 0.174 0.000 0.467 34 D N -1.209 119.287 120.400 0.159 0.000 2.347 34 D HA -0.231 nan 4.640 nan 0.000 0.213 34 D C 0.079 176.312 176.300 -0.112 0.000 0.985 34 D CA 2.002 56.063 54.000 0.103 0.000 0.879 34 D CB -0.167 40.724 40.800 0.153 0.000 0.919 34 D HN -0.195 8.184 8.370 0.141 0.076 0.526 35 E N -2.560 117.476 120.200 -0.274 0.000 2.285 35 E HA -0.261 nan 4.350 nan 0.000 0.194 35 E C 0.261 176.535 176.600 -0.543 0.000 0.997 35 E CA -0.006 55.889 56.400 -0.842 0.000 0.845 35 E CB -1.036 28.363 29.700 -0.503 0.000 0.782 35 E HN 0.102 8.367 8.360 -0.077 0.049 0.491 36 Y N 4.119 124.202 120.300 -0.363 0.000 2.895 36 Y HA -0.382 nan 4.550 nan 0.000 0.334 36 Y C -1.044 174.652 175.900 -0.340 0.000 1.261 36 Y CA 1.639 59.503 58.100 -0.394 0.000 1.560 36 Y CB 0.269 38.255 38.460 -0.791 0.000 1.253 36 Y HN -0.965 7.271 8.280 -0.015 0.036 0.582 37 D N 6.673 126.446 120.400 -1.044 0.000 2.737 37 D HA -0.490 nan 4.640 nan 0.000 0.238 37 D C -0.911 175.196 176.300 -0.321 0.000 1.157 37 D CA 1.072 54.628 54.000 -0.740 0.000 0.694 37 D CB -0.901 39.343 40.800 -0.927 0.000 1.021 37 D HN 0.483 8.275 8.370 -0.962 0.000 0.420 38 N N -2.541 116.027 118.700 -0.220 0.000 2.705 38 N HA -0.435 nan 4.740 nan 0.000 0.255 38 N C -0.866 174.711 175.510 0.111 0.000 1.008 38 N CA 1.354 54.392 53.050 -0.021 0.000 0.742 38 N CB -0.995 37.502 38.487 0.017 0.000 0.906 38 N HN 0.414 8.639 8.380 -0.258 0.000 0.541 39 Y N -8.978 111.287 120.300 -0.058 0.000 4.668 39 Y HA -0.486 nan 4.550 nan 0.000 0.234 39 Y C 0.225 176.115 175.900 -0.016 0.000 1.056 39 Y CA 1.537 59.626 58.100 -0.017 0.000 2.025 39 Y CB -2.010 36.451 38.460 0.001 0.000 1.613 39 Y HN -0.190 7.740 8.280 -0.435 0.089 0.653 40 I N -2.393 118.172 120.570 -0.008 0.000 2.353 40 I HA -0.321 nan 4.170 nan 0.000 0.248 40 I C 0.691 176.821 176.117 0.021 0.000 1.119 40 I CA 1.978 63.282 61.300 0.005 0.000 1.417 40 I CB 0.610 38.588 38.000 -0.036 0.000 1.078 40 I HN -0.507 7.477 8.210 -0.088 0.173 0.421 41 G N -2.927 105.869 108.800 -0.007 0.000 2.757 41 G HA2 -0.285 nan 3.960 nan 0.000 0.638 41 G HA3 -0.285 nan 3.960 nan 0.000 0.638 41 G C -0.576 174.366 174.900 0.071 0.000 1.344 41 G CA -0.566 44.566 45.100 0.055 0.000 0.855 41 G HN -0.435 7.780 8.290 -0.094 0.019 0.537 42 Y N 0.121 120.428 120.300 0.013 0.000 2.561 42 Y HA -0.153 nan 4.550 nan 0.000 0.291 42 Y C 1.544 177.282 175.900 -0.270 0.000 1.141 42 Y CA 2.204 60.142 58.100 -0.270 0.000 1.303 42 Y CB -0.220 37.743 38.460 -0.828 0.000 1.015 42 Y HN 0.516 8.926 8.280 0.217 0.000 0.547 43 G N 0.137 108.919 108.800 -0.030 0.000 2.514 43 G HA2 -0.329 nan 3.960 nan 0.000 0.217 43 G HA3 -0.329 nan 3.960 nan 0.000 0.217 43 G C -1.292 173.608 174.900 -0.001 0.000 1.198 43 G CA 2.441 47.518 45.100 -0.039 0.000 0.780 43 G HN 0.622 8.874 8.290 0.011 0.045 0.565 44 P HA -0.207 nan 4.420 nan 0.000 0.215 44 P C 0.955 178.295 177.300 0.068 0.000 1.157 44 P CA 2.606 65.740 63.100 0.057 0.000 0.868 44 P CB -0.636 31.099 31.700 0.059 0.000 0.788 45 V N -3.249 116.706 119.914 0.068 0.000 2.594 45 V HA -0.311 nan 4.120 nan 0.000 0.253 45 V C 1.617 177.711 176.094 0.001 0.000 1.069 45 V CA 3.006 65.334 62.300 0.047 0.000 1.082 45 V CB -0.588 31.278 31.823 0.071 0.000 0.680 45 V HN -0.160 8.082 8.190 0.087 0.000 0.469 46 L N -1.590 119.616 121.223 -0.028 0.000 2.179 46 L HA -0.239 nan 4.340 nan 0.000 0.208 46 L C 1.858 178.767 176.870 0.065 0.000 1.096 46 L CA 3.059 57.877 54.840 -0.037 0.000 0.779 46 L CB -0.373 41.615 42.059 -0.119 0.000 0.922 46 L HN -0.461 7.635 8.230 -0.042 0.109 0.443 47 V N -1.135 118.844 119.914 0.108 0.000 2.667 47 V HA -0.342 nan 4.120 nan 0.000 0.252 47 V C 1.229 177.501 176.094 0.296 0.000 1.065 47 V CA 3.345 65.786 62.300 0.234 0.000 1.083 47 V CB -0.750 31.161 31.823 0.147 0.000 0.692 47 V HN 0.096 8.327 8.190 0.069 0.000 0.468 48 R N 0.613 121.234 120.500 0.203 0.000 2.092 48 R HA -0.276 nan 4.340 nan 0.000 0.231 48 R C 1.782 178.122 176.300 0.066 0.000 1.119 48 R CA 3.355 59.593 56.100 0.230 0.000 0.970 48 R CB -0.054 30.299 30.300 0.089 0.000 0.864 48 R HN -0.128 8.223 8.270 0.135 0.000 0.440 49 L N -0.659 120.540 121.223 -0.039 0.000 2.046 49 L HA -0.301 nan 4.340 nan 0.000 0.208 49 L C 1.116 177.941 176.870 -0.075 0.000 1.077 49 L CA 3.058 57.786 54.840 -0.188 0.000 0.747 49 L CB -0.465 41.456 42.059 -0.231 0.000 0.896 49 L HN -0.052 8.169 8.230 -0.014 0.000 0.432 50 A N -1.547 121.335 122.820 0.102 0.000 1.972 50 A HA -0.273 nan 4.320 nan 0.000 0.219 50 A C 2.004 179.728 177.584 0.233 0.000 1.169 50 A CA 2.811 54.948 52.037 0.166 0.000 0.635 50 A CB -0.787 18.356 19.000 0.239 0.000 0.810 50 A HN -0.350 7.884 8.150 0.141 0.000 0.446 51 W N -0.959 120.485 121.300 0.241 0.000 2.407 51 W HA -0.423 nan 4.660 nan 0.000 0.305 51 W C 1.324 178.005 176.519 0.270 0.000 1.196 51 W CA 3.030 60.550 57.345 0.291 0.000 1.311 51 W CB 0.050 29.730 29.460 0.368 0.000 1.135 51 W HN -0.296 8.197 8.180 0.522 0.000 0.514 52 H N -0.746 117.974 119.070 -0.582 0.000 2.457 52 H HA -0.337 nan 4.556 nan 0.000 0.294 52 H C 2.491 177.613 175.328 -0.343 0.000 1.064 52 H CA 3.242 58.889 56.048 -0.668 0.000 1.330 52 H CB 0.899 30.377 29.762 -0.473 0.000 1.395 52 H HN -0.222 8.015 8.280 -0.072 0.000 0.541 53 I N -5.516 114.988 120.570 -0.109 0.000 2.761 53 I HA -0.196 nan 4.170 nan 0.000 0.261 53 I C 0.322 176.461 176.117 0.036 0.000 1.198 53 I CA 2.282 63.573 61.300 -0.014 0.000 1.482 53 I CB -0.199 37.829 38.000 0.046 0.000 1.100 53 I HN -0.320 7.828 8.210 -0.104 0.000 0.445 54 S N -0.447 115.269 115.700 0.027 0.000 2.458 54 S HA -0.018 nan 4.470 nan 0.000 0.223 54 S C 2.403 177.061 174.600 0.097 0.000 1.019 54 S CA 2.656 60.900 58.200 0.073 0.000 0.937 54 S CB 0.521 63.782 63.200 0.101 0.000 0.788 54 S HN -0.832 7.373 8.310 0.015 0.114 0.511 55 G N 1.127 109.892 108.800 -0.059 0.000 2.625 55 G HA2 -0.191 nan 3.960 nan 0.000 0.214 55 G HA3 -0.191 nan 3.960 nan 0.000 0.214 55 G C -0.335 174.553 174.900 -0.020 0.000 1.132 55 G CA 2.194 47.225 45.100 -0.115 0.000 0.782 55 G HN 0.414 8.584 8.290 -0.201 0.000 0.538 56 T N -2.373 112.185 114.554 0.007 0.000 3.118 56 T HA -0.103 nan 4.350 nan 0.000 0.260 56 T C 0.242 175.027 174.700 0.142 0.000 1.139 56 T CA -0.276 61.860 62.100 0.059 0.000 1.085 56 T CB -0.721 68.190 68.868 0.072 0.000 0.934 56 T HN -0.474 7.702 8.240 -0.011 0.058 0.518 57 W N 2.684 123.980 121.300 -0.007 0.000 2.170 57 W HA -0.242 nan 4.660 nan 0.000 0.342 57 W C -1.869 174.626 176.519 -0.040 0.000 1.294 57 W CA 1.243 58.587 57.345 -0.001 0.000 1.246 57 W CB 0.590 30.058 29.460 0.014 0.000 1.156 57 W HN -0.522 7.790 8.180 0.317 0.058 0.572 58 D N 6.892 126.896 120.400 -0.660 0.000 2.549 58 D HA 0.316 nan 4.640 nan 0.000 0.251 58 D C 0.196 175.683 176.300 -1.355 0.000 1.153 58 D CA -1.779 51.759 54.000 -0.770 0.000 0.861 58 D CB 2.378 42.971 40.800 -0.344 0.000 1.207 58 D HN 0.110 8.124 8.370 -0.594 0.000 0.543 59 K N 6.485 125.926 120.400 -1.598 0.000 2.281 59 K HA -0.329 nan 4.320 nan 0.000 0.203 59 K C 1.095 177.273 176.600 -0.705 0.000 1.046 59 K CA 2.182 57.645 56.287 -1.372 0.000 0.938 59 K CB -0.153 31.784 32.500 -0.937 0.000 0.737 59 K HN 0.327 7.777 8.250 -1.333 0.000 0.458 60 H N -1.028 117.810 119.070 -0.387 0.000 2.403 60 H HA -0.109 nan 4.556 nan 0.000 0.298 60 H C 1.010 176.237 175.328 -0.168 0.000 1.059 60 H CA 1.961 57.879 56.048 -0.216 0.000 1.363 60 H CB 0.463 30.122 29.762 -0.172 0.000 1.410 60 H HN -0.025 8.105 8.280 -0.719 -0.281 0.528 61 D N -4.855 115.494 120.400 -0.084 0.000 2.527 61 D HA -0.063 nan 4.640 nan 0.000 0.224 61 D C 0.382 176.647 176.300 -0.059 0.000 1.217 61 D CA -0.854 53.111 54.000 -0.057 0.000 0.819 61 D CB 0.020 40.799 40.800 -0.034 0.000 1.061 61 D HN -0.601 7.673 8.370 -0.161 0.000 0.515 62 N N -1.375 117.264 118.700 -0.102 0.000 2.693 62 N HA -0.476 nan 4.740 nan 0.000 0.249 62 N C -1.055 174.574 175.510 0.199 0.000 1.119 62 N CA 1.030 54.138 53.050 0.097 0.000 0.717 62 N CB -1.128 37.438 38.487 0.133 0.000 1.071 62 N HN -0.096 8.141 8.380 -0.238 0.000 0.555 63 T N -7.398 107.201 114.554 0.076 0.000 2.874 63 T HA 0.367 nan 4.350 nan 0.000 0.281 63 T C -0.014 174.815 174.700 0.216 0.000 0.994 63 T CA -1.353 60.842 62.100 0.157 0.000 1.015 63 T CB 2.123 71.035 68.868 0.073 0.000 1.028 63 T HN -0.838 7.572 8.240 -0.053 -0.202 0.523 64 G N 3.016 111.952 108.800 0.227 0.000 2.645 64 G HA2 -0.478 nan 3.960 nan 0.000 0.246 64 G HA3 -0.478 nan 3.960 nan 0.000 0.246 64 G C -0.774 174.319 174.900 0.321 0.000 1.322 64 G CA -0.248 44.995 45.100 0.238 0.000 0.898 64 G HN 0.362 8.774 8.290 0.204 0.000 0.573 65 G N -1.400 107.568 108.800 0.280 0.000 2.712 65 G HA2 -0.281 nan 3.960 nan 0.000 0.683 65 G HA3 -0.281 nan 3.960 nan 0.000 0.683 65 G C 0.502 175.475 174.900 0.121 0.000 1.320 65 G CA -0.449 44.761 45.100 0.183 0.000 0.847 65 G HN -0.100 8.369 8.290 0.238 -0.036 0.553 66 S N 0.649 116.387 115.700 0.063 0.000 2.481 66 S HA -0.257 nan 4.470 nan 0.000 0.231 66 S C 1.409 176.059 174.600 0.083 0.000 0.996 66 S CA 2.637 60.891 58.200 0.090 0.000 0.942 66 S CB 0.257 63.495 63.200 0.064 0.000 0.768 66 S HN 0.527 8.836 8.310 -0.001 0.000 0.520 67 Y N 4.149 124.394 120.300 -0.092 0.000 2.040 67 Y HA -0.427 nan 4.550 nan 0.000 0.275 67 Y C 0.695 176.539 175.900 -0.093 0.000 1.171 67 Y CA 3.273 61.281 58.100 -0.153 0.000 1.123 67 Y CB -0.145 38.111 38.460 -0.341 0.000 0.963 67 Y HN 0.046 8.358 8.280 0.119 0.039 0.493 68 G N -6.499 102.322 108.800 0.035 0.000 2.813 68 G HA2 -0.123 nan 3.960 nan 0.000 0.209 68 G HA3 -0.123 nan 3.960 nan 0.000 0.209 68 G C -0.383 174.564 174.900 0.077 0.000 1.150 68 G CA -0.298 44.825 45.100 0.037 0.000 0.785 68 G HN 0.077 8.450 8.290 0.138 0.000 0.535 69 G N -0.679 108.190 108.800 0.115 0.000 2.225 69 G HA2 -0.483 nan 3.960 nan 0.000 0.267 69 G HA3 -0.483 nan 3.960 nan 0.000 0.267 69 G C 0.615 175.687 174.900 0.288 0.000 1.024 69 G CA 1.035 46.258 45.100 0.206 0.000 0.784 69 G HN -0.530 7.775 8.290 0.107 0.049 0.507 70 T N -3.547 111.199 114.554 0.319 0.000 3.113 70 T HA -0.291 nan 4.350 nan 0.000 0.263 70 T C 1.043 175.946 174.700 0.339 0.000 1.143 70 T CA 1.753 64.092 62.100 0.398 0.000 1.090 70 T CB -0.907 68.220 68.868 0.432 0.000 0.922 70 T HN 0.265 8.663 8.240 0.297 0.020 0.521 71 Y N 3.990 124.425 120.300 0.226 0.000 2.403 71 Y HA -0.280 nan 4.550 nan 0.000 0.291 71 Y C 0.398 176.380 175.900 0.137 0.000 1.143 71 Y CA 1.256 59.448 58.100 0.154 0.000 1.257 71 Y CB -0.469 37.998 38.460 0.012 0.000 0.984 71 Y HN -0.594 7.923 8.280 0.500 0.063 0.550 72 R N -1.989 118.513 120.500 0.003 0.000 2.237 72 R HA -0.230 nan 4.340 nan 0.000 0.219 72 R C 0.339 176.325 176.300 -0.525 0.000 1.080 72 R CA 1.614 57.564 56.100 -0.251 0.000 0.995 72 R CB -0.068 30.147 30.300 -0.141 0.000 0.875 72 R HN -0.680 7.682 8.270 0.202 0.028 0.462 73 F N -0.958 118.958 119.950 -0.057 0.000 2.384 73 F HA 0.148 nan 4.527 nan 0.000 0.338 73 F C 0.807 176.545 175.800 -0.102 0.000 1.103 73 F CA -0.888 57.067 58.000 -0.076 0.000 1.157 73 F CB 0.354 39.352 39.000 -0.003 0.000 1.167 73 F HN -0.514 7.469 8.300 -0.264 0.159 0.529 74 K N 4.084 124.542 120.400 0.096 0.000 2.077 74 K HA -0.501 nan 4.320 nan 0.000 0.213 74 K C 1.844 178.494 176.600 0.084 0.000 1.051 74 K CA 3.991 60.301 56.287 0.038 0.000 0.929 74 K CB -0.650 31.865 32.500 0.026 0.000 0.715 74 K HN 0.806 9.138 8.250 0.138 0.000 0.451 75 K N -1.424 119.033 120.400 0.095 0.000 2.009 75 K HA -0.386 nan 4.320 nan 0.000 0.210 75 K C 2.007 178.663 176.600 0.093 0.000 1.049 75 K CA 3.499 59.835 56.287 0.081 0.000 0.929 75 K CB -0.209 32.333 32.500 0.070 0.000 0.714 75 K HN 0.025 8.341 8.250 0.109 0.000 0.440 76 E N -1.889 118.385 120.200 0.123 0.000 2.107 76 E HA -0.258 nan 4.350 nan 0.000 0.191 76 E C 2.817 179.460 176.600 0.071 0.000 0.982 76 E CA 2.497 58.975 56.400 0.130 0.000 0.809 76 E CB -0.117 29.702 29.700 0.198 0.000 0.756 76 E HN -0.623 7.832 8.360 0.158 0.000 0.459 77 F N 0.287 120.079 119.950 -0.263 0.000 2.216 77 F HA -0.283 nan 4.527 nan 0.000 0.300 77 F C 0.865 176.565 175.800 -0.168 0.000 1.085 77 F CA 3.315 61.034 58.000 -0.468 0.000 1.326 77 F CB 0.411 39.047 39.000 -0.606 0.000 1.027 77 F HN -0.047 8.285 8.300 0.053 0.000 0.497 78 N N -3.070 115.675 118.700 0.076 0.000 2.270 78 N HA -0.033 nan 4.740 nan 0.000 0.198 78 N C -1.038 174.491 175.510 0.033 0.000 1.117 78 N CA -0.068 53.011 53.050 0.048 0.000 0.845 78 N CB 0.668 39.202 38.487 0.078 0.000 0.980 78 N HN -0.276 8.053 8.380 0.111 0.118 0.486 79 D N 2.691 123.115 120.400 0.040 0.000 2.487 79 D HA 0.059 nan 4.640 nan 0.000 0.243 79 D C -0.188 176.136 176.300 0.040 0.000 1.154 79 D CA -1.264 52.765 54.000 0.047 0.000 0.876 79 D CB 0.771 41.609 40.800 0.064 0.000 1.161 79 D HN -0.613 7.612 8.370 0.047 0.173 0.478 80 P HA -0.124 nan 4.420 nan 0.000 0.219 80 P C 1.092 178.430 177.300 0.064 0.000 1.146 80 P CA 2.023 65.149 63.100 0.042 0.000 0.808 80 P CB 0.294 32.019 31.700 0.040 0.000 0.779 81 S N -2.024 113.721 115.700 0.076 0.000 2.474 81 S HA -0.273 nan 4.470 nan 0.000 0.235 81 S C 0.599 175.325 174.600 0.211 0.000 0.997 81 S CA 3.185 61.460 58.200 0.124 0.000 0.949 81 S CB -0.593 62.642 63.200 0.058 0.000 0.766 81 S HN -0.307 8.244 8.310 0.060 -0.205 0.517 82 N N 0.011 118.796 118.700 0.143 0.000 2.336 82 N HA 0.011 nan 4.740 nan 0.000 0.189 82 N C -1.188 174.317 175.510 -0.009 0.000 1.113 82 N CA -0.872 52.244 53.050 0.110 0.000 0.858 82 N CB 0.109 38.672 38.487 0.127 0.000 0.970 82 N HN -0.382 7.891 8.380 0.094 0.164 0.471 83 A N -0.821 122.003 122.820 0.007 0.000 2.566 83 A HA -0.227 nan 4.320 nan 0.000 0.245 83 A C 0.531 178.094 177.584 -0.034 0.000 1.056 83 A CA 1.821 53.846 52.037 -0.020 0.000 0.757 83 A CB -0.581 18.427 19.000 0.014 0.000 0.979 83 A HN -0.606 7.401 8.150 0.045 0.169 0.508 84 G N 3.594 112.359 108.800 -0.059 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 1.119 175.981 174.900 -0.063 0.000 1.006 84 G CA 0.841 45.902 45.100 -0.064 0.000 0.620 84 G HN 0.378 8.844 8.290 -0.067 -0.216 0.511 85 L N 1.532 122.693 121.223 -0.103 0.000 2.465 85 L HA -0.328 nan 4.340 nan 0.000 0.224 85 L C 0.837 177.682 176.870 -0.043 0.000 1.145 85 L CA 1.895 56.666 54.840 -0.115 0.000 0.834 85 L CB -0.589 41.337 42.059 -0.221 0.000 0.944 85 L HN 0.080 8.166 8.230 -0.114 0.076 0.451 86 Q N -0.932 118.810 119.800 -0.097 0.000 2.197 86 Q HA -0.438 nan 4.340 nan 0.000 0.207 86 Q C 2.209 178.336 176.000 0.212 0.000 0.984 86 Q CA 3.459 59.275 55.803 0.022 0.000 0.869 86 Q CB -1.045 27.707 28.738 0.023 0.000 0.906 86 Q HN 0.479 8.614 8.270 -0.161 0.038 0.426 87 N N -0.569 118.214 118.700 0.138 0.000 2.244 87 N HA -0.232 nan 4.740 nan 0.000 0.183 87 N C 2.305 177.908 175.510 0.155 0.000 1.016 87 N CA 2.642 55.789 53.050 0.161 0.000 0.866 87 N CB -0.533 38.038 38.487 0.139 0.000 0.980 87 N HN -0.558 7.851 8.380 0.079 0.018 0.430 88 G N -0.034 108.832 108.800 0.110 0.000 2.394 88 G HA2 -0.216 nan 3.960 nan 0.000 0.215 88 G HA3 -0.216 nan 3.960 nan 0.000 0.215 88 G C 0.769 175.769 174.900 0.168 0.000 1.165 88 G CA 1.541 46.681 45.100 0.068 0.000 0.784 88 G HN -0.284 7.958 8.290 0.078 0.095 0.535 89 F N 2.832 122.846 119.950 0.107 0.000 2.095 89 F HA -0.395 nan 4.527 nan 0.000 0.298 89 F C 1.280 177.199 175.800 0.198 0.000 1.104 89 F CA 3.489 61.625 58.000 0.226 0.000 1.232 89 F CB 0.358 39.618 39.000 0.434 0.000 0.987 89 F HN -0.382 8.130 8.300 0.352 0.000 0.475 90 K N -3.058 117.527 120.400 0.309 0.000 2.147 90 K HA -0.401 nan 4.320 nan 0.000 0.205 90 K C 1.958 178.535 176.600 -0.038 0.000 1.049 90 K CA 2.815 59.177 56.287 0.126 0.000 0.936 90 K CB -0.275 32.344 32.500 0.198 0.000 0.722 90 K HN -0.163 8.357 8.250 0.450 0.000 0.446 91 F N -0.707 119.104 119.950 -0.231 0.000 2.102 91 F HA -0.291 nan 4.527 nan 0.000 0.298 91 F C 1.059 176.680 175.800 -0.299 0.000 1.105 91 F CA 2.825 60.568 58.000 -0.428 0.000 1.239 91 F CB 0.661 39.231 39.000 -0.717 0.000 0.991 91 F HN -0.851 7.512 8.300 0.105 0.000 0.474 92 L N -3.445 117.769 121.223 -0.016 0.000 2.313 92 L HA -0.344 nan 4.340 nan 0.000 0.214 92 L C 1.640 178.386 176.870 -0.207 0.000 1.119 92 L CA 1.986 56.773 54.840 -0.089 0.000 0.809 92 L CB -0.462 41.622 42.059 0.042 0.000 0.933 92 L HN -0.229 8.057 8.230 0.092 0.000 0.449 93 E N 0.556 120.592 120.200 -0.274 0.000 2.051 93 E HA -0.234 nan 4.350 nan 0.000 0.192 93 E C -1.077 175.417 176.600 -0.177 0.000 0.991 93 E CA 5.285 61.529 56.400 -0.260 0.000 0.799 93 E CB -1.644 27.879 29.700 -0.294 0.000 0.748 93 E HN -0.273 7.788 8.360 -0.279 0.131 0.449 94 P HA -0.244 nan 4.420 nan 0.000 0.216 94 P C 1.788 178.986 177.300 -0.169 0.000 1.157 94 P CA 2.760 65.744 63.100 -0.192 0.000 0.880 94 P CB -0.586 30.970 31.700 -0.240 0.000 0.791 95 I N -3.020 117.447 120.570 -0.173 0.000 2.394 95 I HA -0.459 nan 4.170 nan 0.000 0.251 95 I C 1.799 177.926 176.117 0.017 0.000 1.136 95 I CA 3.744 65.002 61.300 -0.070 0.000 1.425 95 I CB -0.242 37.687 38.000 -0.118 0.000 1.079 95 I HN -0.828 7.239 8.210 -0.239 0.000 0.425 96 H N 0.468 119.443 119.070 -0.158 0.000 2.428 96 H HA -0.282 nan 4.556 nan 0.000 0.296 96 H C 1.509 176.731 175.328 -0.177 0.000 1.062 96 H CA 2.456 58.398 56.048 -0.177 0.000 1.350 96 H CB 0.345 29.986 29.762 -0.202 0.000 1.403 96 H HN -0.478 7.785 8.280 -0.028 0.000 0.533 97 K N -2.681 117.666 120.400 -0.088 0.000 2.097 97 K HA -0.189 nan 4.320 nan 0.000 0.206 97 K C 1.090 177.574 176.600 -0.193 0.000 1.049 97 K CA 1.624 57.818 56.287 -0.155 0.000 0.933 97 K CB 0.032 32.446 32.500 -0.143 0.000 0.717 97 K HN -0.525 7.681 8.250 -0.074 0.000 0.442 98 E N -1.588 118.465 120.200 -0.246 0.000 2.152 98 E HA -0.192 nan 4.350 nan 0.000 0.192 98 E C 0.190 176.340 176.600 -0.750 0.000 0.983 98 E CA 2.263 58.373 56.400 -0.484 0.000 0.818 98 E CB 0.952 30.313 29.700 -0.564 0.000 0.758 98 E HN -0.632 7.539 8.360 -0.187 0.077 0.467 99 F N -2.747 117.080 119.950 -0.206 0.000 2.531 99 F HA 0.443 nan 4.527 nan 0.000 0.333 99 F C -1.934 173.571 175.800 -0.491 0.000 1.292 99 F CA -3.227 54.517 58.000 -0.428 0.000 1.184 99 F CB 0.105 38.687 39.000 -0.698 0.000 1.426 99 F HN -0.312 7.842 8.300 -0.099 0.086 0.559 100 P HA -0.112 nan 4.420 nan 0.000 0.226 100 P C 0.314 177.613 177.300 -0.002 0.000 1.153 100 P CA 1.402 64.431 63.100 -0.118 0.000 0.777 100 P CB -0.143 31.498 31.700 -0.097 0.000 0.794 101 W N -4.734 116.620 121.300 0.089 0.000 2.467 101 W HA -0.116 nan 4.660 nan 0.000 0.275 101 W C -0.487 176.105 176.519 0.122 0.000 1.239 101 W CA -1.685 55.709 57.345 0.081 0.000 1.266 101 W CB -0.647 28.843 29.460 0.049 0.000 1.112 101 W HN -0.604 7.563 8.180 0.052 0.044 0.576 102 I N 2.189 122.578 120.570 -0.301 0.000 2.588 102 I HA -0.070 nan 4.170 nan 0.000 0.283 102 I C -0.696 175.443 176.117 0.036 0.000 1.119 102 I CA -0.323 60.888 61.300 -0.148 0.000 1.419 102 I CB 1.216 38.847 38.000 -0.615 0.000 1.394 102 I HN -0.690 6.993 8.210 -0.879 0.000 0.562 103 S N 7.566 123.310 115.700 0.072 0.000 2.593 103 S HA 0.058 nan 4.470 nan 0.000 0.269 103 S C 1.080 175.556 174.600 -0.206 0.000 1.334 103 S CA -0.025 58.170 58.200 -0.008 0.000 1.015 103 S CB 0.628 63.814 63.200 -0.024 0.000 0.912 103 S HN 0.023 8.709 8.310 0.170 -0.274 0.541 104 S N 4.625 120.175 115.700 -0.250 0.000 2.356 104 S HA -0.309 nan 4.470 nan 0.000 0.223 104 S C 2.181 176.327 174.600 -0.758 0.000 1.032 104 S CA 4.711 62.530 58.200 -0.635 0.000 1.005 104 S CB -0.303 62.660 63.200 -0.394 0.000 0.867 104 S HN 0.147 8.779 8.310 -0.115 -0.392 0.449 105 G N 0.053 108.672 108.800 -0.302 0.000 2.440 105 G HA2 -0.359 nan 3.960 nan 0.000 0.218 105 G HA3 -0.359 nan 3.960 nan 0.000 0.218 105 G C 0.775 175.665 174.900 -0.017 0.000 1.154 105 G CA 2.170 47.216 45.100 -0.090 0.000 0.767 105 G HN -0.146 8.012 8.290 -0.220 0.000 0.552 106 D N 2.390 122.780 120.400 -0.017 0.000 2.117 106 D HA -0.124 nan 4.640 nan 0.000 0.198 106 D C 2.113 178.495 176.300 0.137 0.000 0.982 106 D CA 3.015 57.157 54.000 0.235 0.000 0.828 106 D CB -0.157 40.838 40.800 0.325 0.000 0.967 106 D HN -0.801 7.505 8.370 -0.090 0.010 0.464 107 L N 0.422 121.534 121.223 -0.185 0.000 2.027 107 L HA -0.291 nan 4.340 nan 0.000 0.206 107 L C 1.585 178.395 176.870 -0.100 0.000 1.074 107 L CA 3.366 58.032 54.840 -0.289 0.000 0.745 107 L CB -0.258 41.439 42.059 -0.604 0.000 0.898 107 L HN -0.104 7.942 8.230 -0.307 0.000 0.433 108 F N -2.533 117.396 119.950 -0.036 0.000 2.134 108 F HA -0.370 nan 4.527 nan 0.000 0.299 108 F C 2.170 177.981 175.800 0.018 0.000 1.097 108 F CA 1.705 59.704 58.000 -0.002 0.000 1.264 108 F CB -1.362 37.658 39.000 0.034 0.000 1.001 108 F HN 0.297 8.312 8.300 -0.474 0.000 0.479 109 S N -0.457 115.389 115.700 0.245 0.000 2.387 109 S HA -0.274 nan 4.470 nan 0.000 0.226 109 S C 2.045 176.703 174.600 0.096 0.000 1.026 109 S CA 3.308 61.636 58.200 0.214 0.000 0.972 109 S CB -0.181 63.221 63.200 0.338 0.000 0.814 109 S HN 0.074 8.529 8.310 0.240 0.000 0.477 110 L N 2.223 123.391 121.223 -0.092 0.000 2.141 110 L HA -0.128 nan 4.340 nan 0.000 0.209 110 L C 1.569 178.282 176.870 -0.262 0.000 1.094 110 L CA 2.079 56.616 54.840 -0.506 0.000 0.763 110 L CB -0.560 41.004 42.059 -0.825 0.000 0.908 110 L HN 0.023 8.270 8.230 0.028 0.000 0.437 111 G N -1.744 106.982 108.800 -0.123 0.000 2.440 111 G HA2 -0.429 nan 3.960 nan 0.000 0.218 111 G HA3 -0.429 nan 3.960 nan 0.000 0.218 111 G C 0.953 175.842 174.900 -0.017 0.000 1.154 111 G CA 2.576 47.633 45.100 -0.070 0.000 0.767 111 G HN 0.263 8.507 8.290 -0.077 0.000 0.552 112 G N 0.765 109.617 108.800 0.086 0.000 2.418 112 G HA2 -0.289 nan 3.960 nan 0.000 0.217 112 G HA3 -0.289 nan 3.960 nan 0.000 0.217 112 G C 1.062 176.131 174.900 0.282 0.000 1.158 112 G CA 1.773 47.020 45.100 0.244 0.000 0.771 112 G HN -0.657 7.687 8.290 0.089 0.000 0.545 113 V N 2.579 122.612 119.914 0.199 0.000 2.343 113 V HA -0.450 nan 4.120 nan 0.000 0.247 113 V C 2.163 178.325 176.094 0.114 0.000 1.051 113 V CA 4.416 66.840 62.300 0.207 0.000 1.036 113 V CB -0.731 31.174 31.823 0.136 0.000 0.654 113 V HN -0.241 8.011 8.190 0.104 0.000 0.451 114 T N 0.916 115.435 114.554 -0.058 0.000 2.708 114 T HA -0.307 nan 4.350 nan 0.000 0.266 114 T C 1.441 176.037 174.700 -0.173 0.000 1.037 114 T CA 5.028 66.953 62.100 -0.293 0.000 1.146 114 T CB -0.623 67.862 68.868 -0.638 0.000 0.865 114 T HN 0.216 8.392 8.240 -0.108 0.000 0.435 115 A N 0.889 123.647 122.820 -0.103 0.000 1.877 115 A HA -0.244 nan 4.320 nan 0.000 0.216 115 A C 1.709 179.267 177.584 -0.043 0.000 1.186 115 A CA 3.324 55.322 52.037 -0.065 0.000 0.620 115 A CB -0.860 18.115 19.000 -0.042 0.000 0.822 115 A HN -0.183 7.915 8.150 -0.087 0.000 0.443 116 V N -0.800 119.083 119.914 -0.052 0.000 2.261 116 V HA -0.569 nan 4.120 nan 0.000 0.246 116 V C 2.420 178.390 176.094 -0.207 0.000 1.047 116 V CA 4.683 66.864 62.300 -0.199 0.000 1.015 116 V CB -1.067 30.580 31.823 -0.293 0.000 0.642 116 V HN -0.338 7.853 8.190 0.001 0.000 0.446 117 Q N -1.807 117.948 119.800 -0.076 0.000 2.084 117 Q HA -0.350 nan 4.340 nan 0.000 0.202 117 Q C 3.174 179.199 176.000 0.043 0.000 0.978 117 Q CA 3.261 59.064 55.803 0.001 0.000 0.844 117 Q CB -0.250 28.590 28.738 0.170 0.000 0.898 117 Q HN -0.224 8.040 8.270 -0.011 0.000 0.426 118 E N -0.410 119.816 120.200 0.043 0.000 2.204 118 E HA -0.201 nan 4.350 nan 0.000 0.194 118 E C 1.444 178.068 176.600 0.041 0.000 0.989 118 E CA 1.903 58.331 56.400 0.046 0.000 0.824 118 E CB -0.261 29.438 29.700 -0.001 0.000 0.756 118 E HN -0.183 8.187 8.360 0.016 0.000 0.477 119 M N -1.550 118.065 119.600 0.026 0.000 2.652 119 M HA 0.098 nan 4.480 nan 0.000 0.226 119 M C -1.161 175.192 176.300 0.088 0.000 1.244 119 M CA 0.097 55.434 55.300 0.061 0.000 0.986 119 M CB -0.398 32.247 32.600 0.075 0.000 1.666 119 M HN -0.241 8.047 8.290 -0.003 0.000 0.460 120 Q N -5.852 113.987 119.800 0.065 0.000 2.461 120 Q HA -0.465 nan 4.340 nan 0.000 0.273 120 Q C -0.344 175.698 176.000 0.071 0.000 1.163 120 Q CA 0.684 56.541 55.803 0.090 0.000 0.929 120 Q CB -3.337 25.490 28.738 0.149 0.000 1.334 120 Q HN -0.195 7.977 8.270 0.052 0.130 0.499 121 G N 1.751 110.431 108.800 -0.199 0.000 2.570 121 G HA2 0.095 nan 3.960 nan 0.000 0.276 121 G HA3 0.095 nan 3.960 nan 0.000 0.276 121 G C -1.826 172.677 174.900 -0.662 0.000 1.346 121 G CA -1.327 43.293 45.100 -0.800 0.000 1.034 121 G HN -0.000 8.137 8.290 -0.178 0.046 0.512 122 P HA -0.022 nan 4.420 nan 0.000 0.272 122 P C -1.202 175.968 177.300 -0.216 0.000 1.230 122 P CA -0.527 62.329 63.100 -0.406 0.000 0.788 122 P CB 0.815 32.268 31.700 -0.412 0.000 0.949 123 K N -0.354 120.004 120.400 -0.069 0.000 2.451 123 K HA -0.078 nan 4.320 nan 0.000 0.280 123 K C -0.434 176.167 176.600 0.002 0.000 1.020 123 K CA -0.220 56.060 56.287 -0.012 0.000 1.008 123 K CB -0.073 32.431 32.500 0.006 0.000 0.917 123 K HN 0.048 8.279 8.250 -0.031 0.000 0.478 124 I N 5.542 126.150 120.570 0.064 0.000 2.330 124 I HA 0.228 nan 4.170 nan 0.000 0.286 124 I C -1.556 174.624 176.117 0.106 0.000 1.025 124 I CA -4.758 56.602 61.300 0.099 0.000 1.197 124 I CB -1.282 36.842 38.000 0.206 0.000 1.358 124 I HN -0.071 8.473 8.210 0.100 -0.274 0.467 125 P HA -0.127 nan 4.420 nan 0.000 0.261 125 P C -2.140 175.205 177.300 0.076 0.000 1.173 125 P CA 0.243 63.342 63.100 -0.002 0.000 0.760 125 P CB 0.022 31.675 31.700 -0.078 0.000 0.783 126 W N 6.730 127.953 121.300 -0.128 0.000 2.819 126 W HA 0.256 nan 4.660 nan 0.000 0.337 126 W C -2.759 173.618 176.519 -0.236 0.000 1.077 126 W CA -1.362 55.931 57.345 -0.086 0.000 1.226 126 W CB 4.113 33.658 29.460 0.142 0.000 1.419 126 W HN 0.583 8.836 8.180 0.121 0.000 0.502 127 R N 3.709 123.655 120.500 -0.922 0.000 2.494 127 R HA 0.528 nan 4.340 nan 0.000 0.305 127 R C -1.293 174.166 176.300 -1.401 0.000 0.959 127 R CA -1.579 53.889 56.100 -1.052 0.000 0.864 127 R CB 3.273 33.006 30.300 -0.946 0.000 1.159 127 R HN 0.355 8.035 8.270 -0.983 0.000 0.446 128 C N -1.585 117.045 119.300 -1.115 0.000 2.396 128 C HA 0.516 nan 4.460 nan 0.000 0.359 128 C C 0.683 175.509 174.990 -0.273 0.000 1.307 128 C CA -1.970 56.541 59.018 -0.845 0.000 2.392 128 C CB 0.654 28.024 27.740 -0.616 0.000 2.245 128 C HN 0.582 8.260 8.230 -0.919 0.000 0.615 129 G N -0.747 108.003 108.800 -0.084 0.000 2.227 129 G HA2 -0.245 nan 3.960 nan 0.000 0.168 129 G HA3 -0.245 nan 3.960 nan 0.000 0.168 129 G C -1.041 173.817 174.900 -0.070 0.000 1.006 129 G CA -0.289 44.809 45.100 -0.002 0.000 0.684 129 G HN 0.236 8.903 8.290 -0.024 -0.391 0.489 130 R N 0.621 121.028 120.500 -0.156 0.000 2.623 130 R HA -0.062 nan 4.340 nan 0.000 0.271 130 R C -0.852 175.175 176.300 -0.456 0.000 1.043 130 R CA 1.225 57.079 56.100 -0.409 0.000 1.083 130 R CB 0.729 30.860 30.300 -0.282 0.000 0.974 130 R HN -0.479 7.966 8.270 -0.127 -0.251 0.436 131 V N 4.372 123.762 119.914 -0.874 0.000 2.487 131 V HA 0.092 nan 4.120 nan 0.000 0.298 131 V C -0.993 174.886 176.094 -0.358 0.000 1.028 131 V CA -1.438 60.596 62.300 -0.443 0.000 0.860 131 V CB 2.863 34.554 31.823 -0.220 0.000 0.991 131 V HN -0.136 6.930 8.190 -1.873 0.000 0.427 132 D N 5.303 125.624 120.400 -0.131 0.000 2.493 132 D HA -0.058 nan 4.640 nan 0.000 0.240 132 D C -0.176 176.166 176.300 0.069 0.000 1.142 132 D CA 1.113 55.100 54.000 -0.022 0.000 0.872 132 D CB 0.223 41.038 40.800 0.024 0.000 1.173 132 D HN 0.059 8.376 8.370 -0.089 0.000 0.467 133 T N 0.023 114.666 114.554 0.149 0.000 2.950 133 T HA 0.537 nan 4.350 nan 0.000 0.288 133 T C -1.884 172.965 174.700 0.249 0.000 1.035 133 T CA -3.318 58.900 62.100 0.196 0.000 1.028 133 T CB 0.416 69.415 68.868 0.217 0.000 1.109 133 T HN -0.204 8.134 8.240 0.164 0.000 0.514 134 P HA 0.218 nan 4.420 nan 0.000 0.272 134 P C 0.842 177.991 177.300 -0.253 0.000 1.230 134 P CA -1.186 61.937 63.100 0.039 0.000 0.788 134 P CB 0.685 32.385 31.700 -0.001 0.000 0.949 135 E N 1.700 121.433 120.200 -0.778 0.000 2.171 135 E HA -0.424 nan 4.350 nan 0.000 0.197 135 E C 1.633 177.897 176.600 -0.561 0.000 0.997 135 E CA 3.843 59.399 56.400 -1.407 0.000 0.810 135 E CB -0.169 28.870 29.700 -1.102 0.000 0.738 135 E HN 0.551 8.598 8.360 -0.522 0.000 0.467 136 D N -5.353 114.876 120.400 -0.284 0.000 2.350 136 D HA -0.166 nan 4.640 nan 0.000 0.216 136 D C 1.230 177.494 176.300 -0.060 0.000 0.968 136 D CA 1.813 55.733 54.000 -0.133 0.000 0.894 136 D CB -0.941 39.811 40.800 -0.080 0.000 0.909 136 D HN 0.126 8.310 8.370 -0.260 0.030 0.520 137 T N -4.395 110.136 114.554 -0.037 0.000 3.100 137 T HA 0.066 nan 4.350 nan 0.000 0.253 137 T C 1.100 175.853 174.700 0.089 0.000 1.118 137 T CA 0.061 62.194 62.100 0.056 0.000 1.058 137 T CB 0.351 69.292 68.868 0.120 0.000 0.953 137 T HN -0.320 7.705 8.240 -0.086 0.164 0.515 138 T N 7.814 122.402 114.554 0.056 0.000 2.778 138 T HA 0.036 nan 4.350 nan 0.000 0.282 138 T C -1.546 173.213 174.700 0.098 0.000 0.983 138 T CA 0.075 62.249 62.100 0.123 0.000 1.193 138 T CB -0.632 68.298 68.868 0.103 0.000 0.938 138 T HN -0.519 7.532 8.240 -0.045 0.163 0.523 139 P HA -0.022 nan 4.420 nan 0.000 0.269 139 P C -1.568 175.776 177.300 0.074 0.000 1.209 139 P CA -0.580 62.574 63.100 0.089 0.000 0.776 139 P CB 0.618 32.378 31.700 0.099 0.000 0.876 140 D N 1.406 121.838 120.400 0.054 0.000 2.382 140 D HA -0.119 nan 4.640 nan 0.000 0.240 140 D C 0.204 176.533 176.300 0.049 0.000 1.146 140 D CA 0.599 54.627 54.000 0.047 0.000 0.897 140 D CB 0.466 41.287 40.800 0.035 0.000 1.197 140 D HN 0.097 8.495 8.370 0.048 0.000 0.432 141 N N -0.653 118.076 118.700 0.048 0.000 2.329 141 N HA -0.254 nan 4.740 nan 0.000 0.237 141 N C 1.183 176.719 175.510 0.044 0.000 1.258 141 N CA 1.179 54.256 53.050 0.045 0.000 0.866 141 N CB 0.058 38.571 38.487 0.043 0.000 1.102 141 N HN 0.223 8.631 8.380 0.047 0.000 0.440 142 G N 0.093 108.920 108.800 0.044 0.000 2.134 142 G HA2 -0.256 nan 3.960 nan 0.000 0.209 142 G HA3 -0.256 nan 3.960 nan 0.000 0.209 142 G C -0.252 174.696 174.900 0.079 0.000 0.993 142 G CA 0.353 45.488 45.100 0.058 0.000 0.669 142 G HN 0.381 8.694 8.290 0.037 0.000 0.519 143 R N -1.838 118.703 120.500 0.067 0.000 2.334 143 R HA 0.071 nan 4.340 nan 0.000 0.212 143 R C -0.261 176.152 176.300 0.189 0.000 0.897 143 R CA -0.203 55.959 56.100 0.105 0.000 1.056 143 R CB 0.702 31.035 30.300 0.054 0.000 1.046 143 R HN 0.129 8.423 8.270 0.041 0.000 0.513 144 L N -0.371 120.887 121.223 0.058 0.000 2.379 144 L HA 0.208 nan 4.340 nan 0.000 0.269 144 L C -1.904 174.907 176.870 -0.098 0.000 1.084 144 L CA -2.640 52.167 54.840 -0.055 0.000 0.802 144 L CB 0.028 41.892 42.059 -0.325 0.000 1.175 144 L HN -0.368 7.824 8.230 0.015 0.047 0.448 145 P HA 0.074 nan 4.420 nan 0.000 0.278 145 P C -1.598 175.674 177.300 -0.045 0.000 1.238 145 P CA -0.777 62.046 63.100 -0.461 0.000 0.794 145 P CB 0.554 31.628 31.700 -1.044 0.000 0.955 146 D N 3.838 124.276 120.400 0.064 0.000 2.339 146 D HA 0.053 nan 4.640 nan 0.000 0.245 146 D C 0.314 176.600 176.300 -0.023 0.000 1.115 146 D CA 0.072 54.062 54.000 -0.016 0.000 0.917 146 D CB 0.811 41.524 40.800 -0.145 0.000 1.192 146 D HN -0.000 8.508 8.370 0.231 0.000 0.428 147 A N -0.439 122.385 122.820 0.005 0.000 2.147 147 A HA 0.032 nan 4.320 nan 0.000 0.211 147 A C -0.393 177.163 177.584 -0.047 0.000 1.160 147 A CA 1.643 53.654 52.037 -0.044 0.000 0.781 147 A CB 0.434 19.319 19.000 -0.192 0.000 0.842 147 A HN 0.192 8.375 8.150 0.056 0.000 0.475 148 D N -4.372 116.030 120.400 0.002 0.000 2.413 148 D HA -0.015 nan 4.640 nan 0.000 0.237 148 D C -0.846 175.435 176.300 -0.032 0.000 1.171 148 D CA -0.192 53.830 54.000 0.036 0.000 0.839 148 D CB -1.524 39.324 40.800 0.080 0.000 0.950 148 D HN 0.156 8.525 8.370 -0.002 0.000 0.499 149 K N -1.082 119.272 120.400 -0.077 0.000 2.307 149 K HA 0.199 nan 4.320 nan 0.000 0.239 149 K C -1.315 175.338 176.600 0.088 0.000 1.083 149 K CA -1.513 54.715 56.287 -0.098 0.000 0.913 149 K CB 1.990 34.183 32.500 -0.510 0.000 1.322 149 K HN -0.885 7.249 8.250 -0.051 0.086 0.514 150 D N -3.979 116.516 120.400 0.160 0.000 2.592 150 D HA 0.231 nan 4.640 nan 0.000 0.259 150 D C 0.480 176.951 176.300 0.284 0.000 1.144 150 D CA -1.370 52.757 54.000 0.213 0.000 1.080 150 D CB 1.683 42.588 40.800 0.176 0.000 1.225 150 D HN -0.235 8.223 8.370 0.147 0.000 0.619 151 A N -1.752 121.223 122.820 0.259 0.000 1.948 151 A HA -0.285 nan 4.320 nan 0.000 0.220 151 A C 1.990 179.739 177.584 0.275 0.000 1.177 151 A CA 3.578 55.806 52.037 0.319 0.000 0.636 151 A CB -0.330 18.816 19.000 0.243 0.000 0.815 151 A HN 0.229 8.509 8.150 0.216 0.000 0.449 152 G N -2.743 106.176 108.800 0.199 0.000 2.422 152 G HA2 -0.281 nan 3.960 nan 0.000 0.218 152 G HA3 -0.281 nan 3.960 nan 0.000 0.218 152 G C 0.707 175.743 174.900 0.227 0.000 1.146 152 G CA 1.544 46.743 45.100 0.165 0.000 0.769 152 G HN -0.098 8.300 8.290 0.179 0.000 0.547 153 Y N 2.877 123.276 120.300 0.165 0.000 2.114 153 Y HA -0.435 nan 4.550 nan 0.000 0.284 153 Y C 1.633 177.689 175.900 0.259 0.000 1.143 153 Y CA 3.880 62.089 58.100 0.182 0.000 1.135 153 Y CB 0.169 38.716 38.460 0.146 0.000 0.980 153 Y HN -0.720 7.988 8.280 0.376 -0.202 0.499 154 V N -0.507 119.609 119.914 0.336 0.000 2.332 154 V HA -0.577 nan 4.120 nan 0.000 0.248 154 V C 2.006 178.367 176.094 0.444 0.000 1.055 154 V CA 4.439 66.965 62.300 0.376 0.000 1.038 154 V CB -1.184 30.906 31.823 0.445 0.000 0.651 154 V HN -0.236 8.242 8.190 0.480 0.000 0.450 155 R N -1.924 118.804 120.500 0.381 0.000 2.081 155 R HA -0.393 nan 4.340 nan 0.000 0.235 155 R C 2.138 178.570 176.300 0.221 0.000 1.131 155 R CA 3.752 60.042 56.100 0.318 0.000 0.960 155 R CB -0.089 30.309 30.300 0.162 0.000 0.856 155 R HN 0.151 8.636 8.270 0.358 0.000 0.436 156 T N 1.555 116.190 114.554 0.136 0.000 2.737 156 T HA -0.251 nan 4.350 nan 0.000 0.265 156 T C 1.829 176.537 174.700 0.014 0.000 1.038 156 T CA 4.749 66.887 62.100 0.063 0.000 1.144 156 T CB -0.456 68.438 68.868 0.043 0.000 0.866 156 T HN -0.516 7.806 8.240 0.137 0.000 0.434 157 F N 2.910 122.733 119.950 -0.211 0.000 2.091 157 F HA -0.484 nan 4.527 nan 0.000 0.299 157 F C 1.370 177.088 175.800 -0.137 0.000 1.103 157 F CA 3.410 61.235 58.000 -0.291 0.000 1.228 157 F CB 0.244 38.903 39.000 -0.569 0.000 0.984 157 F HN 0.117 8.375 8.300 -0.069 0.000 0.477 158 F N -3.655 116.321 119.950 0.043 0.000 2.604 158 F HA -0.273 nan 4.527 nan 0.000 0.298 158 F C 1.474 177.245 175.800 -0.048 0.000 1.131 158 F CA 3.212 61.215 58.000 0.005 0.000 1.457 158 F CB -0.473 38.638 39.000 0.184 0.000 1.095 158 F HN -0.145 8.421 8.300 0.443 0.000 0.574 159 Q N -0.815 119.044 119.800 0.098 0.000 2.224 159 Q HA -0.349 nan 4.340 nan 0.000 0.203 159 Q C 2.094 178.052 176.000 -0.070 0.000 0.970 159 Q CA 2.802 58.630 55.803 0.042 0.000 0.865 159 Q CB -0.449 28.309 28.738 0.034 0.000 0.922 159 Q HN -0.375 7.810 8.270 0.093 0.141 0.445 160 R N 0.098 120.484 120.500 -0.190 0.000 2.148 160 R HA -0.216 nan 4.340 nan 0.000 0.227 160 R C 0.670 176.785 176.300 -0.307 0.000 1.103 160 R CA 3.119 59.035 56.100 -0.307 0.000 0.983 160 R CB 0.098 30.172 30.300 -0.377 0.000 0.874 160 R HN -0.472 7.637 8.270 -0.233 0.021 0.451 161 L N -1.516 119.645 121.223 -0.104 0.000 2.728 161 L HA 0.069 nan 4.340 nan 0.000 0.235 161 L C -0.769 176.303 176.870 0.338 0.000 1.197 161 L CA -1.072 53.911 54.840 0.239 0.000 0.992 161 L CB -1.017 41.231 42.059 0.315 0.000 1.263 161 L HN -0.824 7.203 8.230 -0.139 0.119 0.484 162 N N 0.388 119.188 118.700 0.166 0.000 3.054 162 N HA -0.414 nan 4.740 nan 0.000 0.305 162 N C -1.198 174.412 175.510 0.167 0.000 1.084 162 N CA 1.330 54.470 53.050 0.151 0.000 0.842 162 N CB -1.323 37.227 38.487 0.104 0.000 0.953 162 N HN -0.411 7.905 8.380 0.012 0.072 0.625 163 M N 0.185 119.898 119.600 0.189 0.000 2.238 163 M HA 0.226 nan 4.480 nan 0.000 0.350 163 M C -0.512 175.853 176.300 0.109 0.000 1.138 163 M CA -1.648 53.735 55.300 0.138 0.000 1.040 163 M CB 0.571 33.263 32.600 0.153 0.000 1.639 163 M HN -0.278 8.124 8.290 0.230 0.026 0.451 164 N N 3.548 122.293 118.700 0.074 0.000 2.476 164 N HA 0.145 nan 4.740 nan 0.000 0.287 164 N C 0.005 175.570 175.510 0.091 0.000 1.262 164 N CA -1.033 52.065 53.050 0.080 0.000 0.980 164 N CB 0.849 39.375 38.487 0.064 0.000 1.163 164 N HN 0.633 9.408 8.380 0.061 -0.358 0.592 165 D N -0.473 120.005 120.400 0.129 0.000 2.144 165 D HA -0.321 nan 4.640 nan 0.000 0.199 165 D C 2.448 178.848 176.300 0.168 0.000 0.984 165 D CA 4.541 58.689 54.000 0.246 0.000 0.834 165 D CB -0.330 40.603 40.800 0.222 0.000 0.955 165 D HN 0.416 8.846 8.370 0.100 0.000 0.465 166 R N 0.300 120.865 120.500 0.107 0.000 2.081 166 R HA -0.359 nan 4.340 nan 0.000 0.235 166 R C 2.078 178.449 176.300 0.119 0.000 1.131 166 R CA 3.261 59.423 56.100 0.103 0.000 0.960 166 R CB -0.153 30.199 30.300 0.088 0.000 0.856 166 R HN -0.408 7.984 8.270 0.094 -0.066 0.436 167 E N -0.112 120.123 120.200 0.058 0.000 2.051 167 E HA -0.374 nan 4.350 nan 0.000 0.192 167 E C 2.479 179.016 176.600 -0.105 0.000 0.991 167 E CA 3.310 59.713 56.400 0.005 0.000 0.799 167 E CB -0.082 29.614 29.700 -0.006 0.000 0.748 167 E HN -0.245 8.491 8.360 0.056 -0.342 0.449 168 V N 0.587 120.368 119.914 -0.223 0.000 2.287 168 V HA -0.370 nan 4.120 nan 0.000 0.248 168 V C 2.082 177.986 176.094 -0.317 0.000 1.053 168 V CA 4.667 66.655 62.300 -0.521 0.000 1.027 168 V CB -0.896 30.625 31.823 -0.503 0.000 0.646 168 V HN 0.207 8.319 8.190 -0.130 0.000 0.447 169 V N -1.324 118.513 119.914 -0.128 0.000 2.427 169 V HA -0.419 nan 4.120 nan 0.000 0.248 169 V C 1.754 178.039 176.094 0.317 0.000 1.051 169 V CA 4.156 66.476 62.300 0.034 0.000 1.048 169 V CB -1.310 30.553 31.823 0.067 0.000 0.666 169 V HN -0.043 8.102 8.190 -0.074 0.000 0.456 170 A N -0.452 122.602 122.820 0.390 0.000 1.858 170 A HA -0.246 nan 4.320 nan 0.000 0.216 170 A C 2.335 180.190 177.584 0.452 0.000 1.190 170 A CA 3.096 55.418 52.037 0.475 0.000 0.617 170 A CB -0.639 18.545 19.000 0.307 0.000 0.827 170 A HN -0.187 8.147 8.150 0.307 0.000 0.443 171 L N -1.133 120.178 121.223 0.146 0.000 2.013 171 L HA -0.328 nan 4.340 nan 0.000 0.212 171 L C 2.431 179.255 176.870 -0.077 0.000 1.073 171 L CA 2.618 57.481 54.840 0.039 0.000 0.753 171 L CB -0.675 41.267 42.059 -0.195 0.000 0.890 171 L HN 0.143 8.393 8.230 0.034 0.000 0.432 172 M N -1.183 118.263 119.600 -0.256 0.000 2.358 172 M HA -0.254 nan 4.480 nan 0.000 0.264 172 M C 2.319 178.049 176.300 -0.950 0.000 1.064 172 M CA 2.164 57.122 55.300 -0.570 0.000 1.093 172 M CB -0.789 31.554 32.600 -0.428 0.000 1.401 172 M HN 0.087 8.256 8.290 -0.203 0.000 0.440 173 G N -1.766 106.680 108.800 -0.590 0.000 2.479 173 G HA2 -0.349 nan 3.960 nan 0.000 0.220 173 G HA3 -0.349 nan 3.960 nan 0.000 0.220 173 G C 0.452 174.953 174.900 -0.666 0.000 1.115 173 G CA 1.731 46.345 45.100 -0.811 0.000 0.757 173 G HN -0.152 8.057 8.290 -0.084 0.030 0.560 174 A N 1.686 124.234 122.820 -0.453 0.000 2.121 174 A HA -0.220 nan 4.320 nan 0.000 0.218 174 A C 1.590 178.988 177.584 -0.310 0.000 1.154 174 A CA 2.007 53.821 52.037 -0.371 0.000 0.679 174 A CB -0.640 18.274 19.000 -0.143 0.000 0.795 174 A HN -0.368 7.590 8.150 -0.266 0.032 0.458 175 H N -1.710 117.031 119.070 -0.549 0.000 2.567 175 H HA -0.243 nan 4.556 nan 0.000 0.276 175 H C 0.183 175.358 175.328 -0.255 0.000 1.016 175 H CA 0.556 56.365 56.048 -0.397 0.000 1.186 175 H CB -0.304 29.195 29.762 -0.438 0.000 1.351 175 H HN -0.155 7.506 8.280 -0.783 0.149 0.605 176 A N -2.181 120.517 122.820 -0.204 0.000 2.070 176 A HA -0.170 nan 4.320 nan 0.000 0.220 176 A C 0.173 177.681 177.584 -0.127 0.000 1.159 176 A CA 1.003 52.961 52.037 -0.131 0.000 0.656 176 A CB 0.289 19.154 19.000 -0.225 0.000 0.800 176 A HN -0.660 7.196 8.150 -0.416 0.044 0.453 177 L N -2.387 118.761 121.223 -0.125 0.000 2.371 177 L HA -0.178 nan 4.340 nan 0.000 0.272 177 L C 1.047 177.901 176.870 -0.027 0.000 1.124 177 L CA 0.176 54.976 54.840 -0.066 0.000 0.816 177 L CB 0.246 42.280 42.059 -0.042 0.000 1.129 177 L HN -0.671 7.301 8.230 -0.158 0.164 0.448 178 G N 3.847 112.639 108.800 -0.014 0.000 2.574 178 G HA2 -0.414 nan 3.960 nan 0.000 0.286 178 G HA3 -0.414 nan 3.960 nan 0.000 0.286 178 G C -2.430 172.438 174.900 -0.053 0.000 1.212 178 G CA 0.813 45.911 45.100 -0.002 0.000 0.979 178 G HN 0.840 9.002 8.290 -0.015 0.119 0.557 179 K N -1.992 118.353 120.400 -0.091 0.000 2.658 179 K HA 0.425 nan 4.320 nan 0.000 0.293 179 K C -2.074 174.336 176.600 -0.318 0.000 1.026 179 K CA -1.417 54.745 56.287 -0.208 0.000 0.871 179 K CB 2.777 35.117 32.500 -0.266 0.000 1.524 179 K HN -0.311 7.929 8.250 -0.016 0.000 0.400 180 T N -3.050 111.344 114.554 -0.267 0.000 2.909 180 T HA 0.392 nan 4.350 nan 0.000 0.286 180 T C -0.276 174.222 174.700 -0.336 0.000 1.002 180 T CA -1.397 60.591 62.100 -0.186 0.000 1.074 180 T CB 1.022 69.881 68.868 -0.015 0.000 0.984 180 T HN 0.406 8.533 8.240 -0.188 0.000 0.495 181 H N 2.744 121.838 119.070 0.038 0.000 2.646 181 H HA 0.420 nan 4.556 nan 0.000 0.328 181 H C 0.120 175.465 175.328 0.028 0.000 0.998 181 H CA -1.183 54.877 56.048 0.019 0.000 1.225 181 H CB 1.272 31.034 29.762 0.001 0.000 1.457 181 H HN 0.417 8.793 8.280 0.160 0.000 0.505 182 L N 6.326 127.600 121.223 0.085 0.000 2.043 182 L HA -0.406 nan 4.340 nan 0.000 0.212 182 L C 0.908 177.799 176.870 0.035 0.000 1.075 182 L CA 4.216 59.077 54.840 0.035 0.000 0.752 182 L CB 0.280 42.340 42.059 0.002 0.000 0.891 182 L HN 0.373 8.992 8.230 0.059 -0.354 0.432 183 K N -2.651 117.781 120.400 0.053 0.000 2.365 183 K HA -0.240 nan 4.320 nan 0.000 0.199 183 K C 0.791 177.416 176.600 0.042 0.000 1.045 183 K CA 2.325 58.633 56.287 0.035 0.000 0.962 183 K CB -0.419 32.098 32.500 0.029 0.000 0.759 183 K HN 0.261 8.554 8.250 0.071 0.000 0.469 184 N N -2.268 116.477 118.700 0.074 0.000 2.278 184 N HA -0.020 nan 4.740 nan 0.000 0.181 184 N C 0.872 176.435 175.510 0.088 0.000 1.023 184 N CA 2.129 55.221 53.050 0.070 0.000 0.862 184 N CB 0.726 39.263 38.487 0.083 0.000 1.003 184 N HN -0.403 7.913 8.380 0.116 0.133 0.431 185 S N -4.233 111.539 115.700 0.119 0.000 2.632 185 S HA 0.163 nan 4.470 nan 0.000 0.237 185 S C 0.637 175.275 174.600 0.064 0.000 1.037 185 S CA -0.554 57.739 58.200 0.155 0.000 1.009 185 S CB 2.252 65.617 63.200 0.276 0.000 0.974 185 S HN -0.315 8.074 8.310 0.132 0.000 0.544 186 G N 0.516 109.284 108.800 -0.054 0.000 2.136 186 G HA2 -0.331 nan 3.960 nan 0.000 0.242 186 G HA3 -0.331 nan 3.960 nan 0.000 0.242 186 G C -1.457 173.088 174.900 -0.592 0.000 0.989 186 G CA 0.700 45.636 45.100 -0.272 0.000 0.682 186 G HN 0.015 8.198 8.290 0.002 0.108 0.522 187 Y N -2.887 117.414 120.300 0.002 0.000 2.512 187 Y HA 0.278 nan 4.550 nan 0.000 0.348 187 Y C -1.531 174.356 175.900 -0.022 0.000 0.990 187 Y CA -1.997 56.096 58.100 -0.012 0.000 1.033 187 Y CB 3.026 41.478 38.460 -0.015 0.000 1.259 187 Y HN -0.894 7.365 8.280 0.047 0.050 0.461 188 E N 1.838 122.111 120.200 0.121 0.000 2.292 188 E HA 0.354 nan 4.350 nan 0.000 0.272 188 E C -1.258 175.361 176.600 0.032 0.000 0.881 188 E CA -1.634 54.790 56.400 0.039 0.000 0.754 188 E CB 3.038 32.747 29.700 0.015 0.000 1.201 188 E HN 0.064 8.792 8.360 0.155 -0.274 0.425 189 G N 3.968 112.754 108.800 -0.022 0.000 2.406 189 G HA2 -0.162 nan 3.960 nan 0.000 0.680 189 G HA3 -0.162 nan 3.960 nan 0.000 0.680 189 G C -3.299 171.589 174.900 -0.020 0.000 1.338 189 G CA -0.607 44.495 45.100 0.003 0.000 0.941 189 G HN -0.200 8.040 8.290 -0.084 0.000 0.633 190 P HA 0.556 nan 4.420 nan 0.000 0.283 190 P C -0.597 176.725 177.300 0.036 0.000 1.278 190 P CA -1.306 61.792 63.100 -0.003 0.000 0.834 190 P CB 1.553 33.255 31.700 0.002 0.000 1.150 191 G N -3.039 105.732 108.800 -0.048 0.000 3.277 191 G HA2 0.056 nan 3.960 nan 0.000 0.243 191 G HA3 0.056 nan 3.960 nan 0.000 0.243 191 G C -1.679 173.001 174.900 -0.368 0.000 1.107 191 G CA -0.660 44.408 45.100 -0.054 0.000 0.771 191 G HN 0.511 8.756 8.290 -0.076 0.000 0.544 192 G N -2.781 105.629 108.800 -0.651 0.000 2.349 192 G HA2 -0.056 nan 3.960 nan 0.000 0.294 192 G HA3 -0.056 nan 3.960 nan 0.000 0.294 192 G C -1.755 172.817 174.900 -0.546 0.000 1.380 192 G CA 0.083 44.567 45.100 -1.027 0.000 0.811 192 G HN -0.936 7.066 8.290 -0.376 0.063 0.519 193 A N -1.148 121.498 122.820 -0.290 0.000 1.874 193 A HA 0.006 nan 4.320 nan 0.000 0.214 193 A C 0.732 178.302 177.584 -0.024 0.000 1.189 193 A CA 1.593 53.623 52.037 -0.011 0.000 0.615 193 A CB 0.873 19.923 19.000 0.084 0.000 0.830 193 A HN 0.138 8.343 8.150 -0.329 -0.252 0.443 194 A N -0.959 121.833 122.820 -0.046 0.000 3.056 194 A HA 0.133 nan 4.320 nan 0.000 0.274 194 A C -0.853 176.709 177.584 -0.037 0.000 1.661 194 A CA -0.788 51.237 52.037 -0.021 0.000 1.363 194 A CB -1.724 17.271 19.000 -0.008 0.000 1.139 194 A HN -0.542 7.918 8.150 -0.070 -0.352 0.598 195 N N -0.530 118.152 118.700 -0.030 0.000 2.276 195 N HA -0.066 nan 4.740 nan 0.000 0.212 195 N C -0.828 174.677 175.510 -0.008 0.000 1.127 195 N CA 0.589 53.617 53.050 -0.037 0.000 0.834 195 N CB 0.030 38.489 38.487 -0.046 0.000 1.014 195 N HN -0.289 8.082 8.380 -0.016 0.000 0.491 196 N N -3.141 115.567 118.700 0.014 0.000 2.387 196 N HA 0.094 nan 4.740 nan 0.000 0.259 196 N C -1.715 173.827 175.510 0.054 0.000 1.369 196 N CA -0.860 52.211 53.050 0.035 0.000 0.867 196 N CB -0.618 37.897 38.487 0.046 0.000 1.341 196 N HN -0.066 8.276 8.380 0.017 0.048 0.495 197 V N 0.300 120.245 119.914 0.052 0.000 2.487 197 V HA 0.289 nan 4.120 nan 0.000 0.298 197 V C -1.779 174.377 176.094 0.104 0.000 1.028 197 V CA -0.617 61.737 62.300 0.089 0.000 0.860 197 V CB 1.953 33.824 31.823 0.080 0.000 0.991 197 V HN -0.804 7.401 8.190 0.025 0.000 0.427 198 F N 9.619 129.572 119.950 0.004 0.000 2.487 198 F HA 0.024 nan 4.527 nan 0.000 0.364 198 F C -0.826 175.080 175.800 0.177 0.000 1.126 198 F CA 0.912 58.899 58.000 -0.021 0.000 1.135 198 F CB 0.217 39.098 39.000 -0.199 0.000 1.127 198 F HN 0.675 9.028 8.300 0.266 0.108 0.559 199 T N 3.177 117.711 114.554 -0.033 0.000 2.831 199 T HA 0.269 nan 4.350 nan 0.000 0.287 199 T C -0.874 173.914 174.700 0.147 0.000 1.070 199 T CA -2.195 60.014 62.100 0.182 0.000 1.010 199 T CB 2.759 71.676 68.868 0.082 0.000 1.264 199 T HN -0.279 7.802 8.240 -0.265 0.000 0.532 200 N N -2.155 116.651 118.700 0.177 0.000 2.313 200 N HA 0.010 nan 4.740 nan 0.000 0.207 200 N C 0.847 176.356 175.510 -0.002 0.000 1.141 200 N CA -0.127 52.941 53.050 0.031 0.000 0.830 200 N CB -1.492 37.070 38.487 0.125 0.000 1.008 200 N HN 0.284 8.766 8.380 0.171 0.000 0.481 201 E N 1.438 121.611 120.200 -0.045 0.000 2.171 201 E HA -0.392 nan 4.350 nan 0.000 0.197 201 E C 0.866 177.406 176.600 -0.100 0.000 0.997 201 E CA 2.972 59.337 56.400 -0.059 0.000 0.810 201 E CB -0.347 29.307 29.700 -0.076 0.000 0.738 201 E HN -0.582 7.668 8.360 -0.035 0.090 0.467 202 F N -0.209 119.504 119.950 -0.395 0.000 2.126 202 F HA -0.397 nan 4.527 nan 0.000 0.299 202 F C 1.445 176.977 175.800 -0.446 0.000 1.096 202 F CA 3.396 61.106 58.000 -0.484 0.000 1.255 202 F CB -0.019 38.544 39.000 -0.728 0.000 0.997 202 F HN -0.141 8.032 8.300 -0.174 0.022 0.479 203 Y N -2.940 117.305 120.300 -0.092 0.000 2.220 203 Y HA -0.351 nan 4.550 nan 0.000 0.291 203 Y C 2.168 177.989 175.900 -0.131 0.000 1.129 203 Y CA 3.655 61.665 58.100 -0.151 0.000 1.161 203 Y CB -0.529 37.884 38.460 -0.079 0.000 0.997 203 Y HN -0.645 7.392 8.280 -0.385 0.012 0.522 204 L N -1.090 120.166 121.223 0.054 0.000 2.046 204 L HA -0.543 nan 4.340 nan 0.000 0.208 204 L C 2.152 179.039 176.870 0.028 0.000 1.077 204 L CA 3.133 57.994 54.840 0.034 0.000 0.747 204 L CB -0.577 41.500 42.059 0.030 0.000 0.896 204 L HN -0.582 7.689 8.230 0.068 0.000 0.432 205 N N -0.854 117.857 118.700 0.019 0.000 2.188 205 N HA -0.229 nan 4.740 nan 0.000 0.184 205 N C 2.418 178.115 175.510 0.311 0.000 1.018 205 N CA 2.813 55.951 53.050 0.147 0.000 0.858 205 N CB -0.540 38.049 38.487 0.170 0.000 0.989 205 N HN 0.020 8.377 8.380 -0.038 0.000 0.426 206 L N 0.363 121.616 121.223 0.050 0.000 2.012 206 L HA -0.259 nan 4.340 nan 0.000 0.210 206 L C 2.308 179.254 176.870 0.126 0.000 1.073 206 L CA 3.268 58.099 54.840 -0.016 0.000 0.748 206 L CB -0.227 41.558 42.059 -0.456 0.000 0.891 206 L HN -0.346 7.777 8.230 -0.179 0.000 0.431 207 L N -2.476 118.770 121.223 0.039 0.000 2.179 207 L HA -0.296 nan 4.340 nan 0.000 0.208 207 L C 1.377 178.277 176.870 0.050 0.000 1.096 207 L CA 2.511 57.369 54.840 0.029 0.000 0.779 207 L CB -0.161 41.899 42.059 0.002 0.000 0.922 207 L HN -0.324 7.906 8.230 0.000 0.000 0.443 208 N N -4.300 114.432 118.700 0.054 0.000 2.250 208 N HA 0.035 nan 4.740 nan 0.000 0.190 208 N C -0.208 175.263 175.510 -0.064 0.000 1.116 208 N CA 0.453 53.506 53.050 0.004 0.000 0.881 208 N CB 1.223 39.712 38.487 0.004 0.000 1.006 208 N HN -0.204 8.136 8.380 0.077 0.086 0.491 209 E N -0.026 120.096 120.200 -0.130 0.000 2.314 209 E HA 0.050 nan 4.350 nan 0.000 0.262 209 E C -0.912 175.346 176.600 -0.571 0.000 1.093 209 E CA -0.597 55.523 56.400 -0.466 0.000 0.908 209 E CB 1.150 30.270 29.700 -0.965 0.000 1.091 209 E HN -0.503 7.876 8.360 0.031 0.000 0.425 210 D N 2.230 122.308 120.400 -0.536 0.000 2.468 210 D HA 0.062 nan 4.640 nan 0.000 0.218 210 D C -1.071 175.022 176.300 -0.344 0.000 1.155 210 D CA -1.210 52.603 54.000 -0.311 0.000 0.924 210 D CB -0.458 40.231 40.800 -0.186 0.000 1.029 210 D HN 0.152 8.218 8.370 -0.507 0.000 0.515 211 W N 1.882 123.264 121.300 0.136 0.000 2.316 211 W HA 0.127 nan 4.660 nan 0.000 0.321 211 W C -0.410 176.278 176.519 0.281 0.000 1.203 211 W CA -1.016 56.459 57.345 0.217 0.000 1.214 211 W CB 1.340 30.956 29.460 0.259 0.000 1.169 211 W HN -0.445 7.768 8.180 0.054 0.000 0.561 212 K N 2.210 122.907 120.400 0.496 0.000 2.463 212 K HA 0.293 nan 4.320 nan 0.000 0.255 212 K C -1.428 175.207 176.600 0.059 0.000 0.942 212 K CA -1.370 55.075 56.287 0.262 0.000 0.814 212 K CB 3.216 35.785 32.500 0.116 0.000 1.122 212 K HN 0.571 9.041 8.250 0.539 0.103 0.425 213 L N 6.624 127.654 121.223 -0.322 0.000 2.485 213 L HA 0.088 nan 4.340 nan 0.000 0.279 213 L C -0.703 175.925 176.870 -0.403 0.000 1.124 213 L CA 0.582 54.920 54.840 -0.837 0.000 0.888 213 L CB 0.024 41.366 42.059 -1.195 0.000 1.217 213 L HN 0.414 8.546 8.230 -0.164 0.000 0.464 214 E N 7.119 127.140 120.200 -0.298 0.000 2.299 214 E HA 0.390 nan 4.350 nan 0.000 0.260 214 E C -2.107 174.401 176.600 -0.152 0.000 0.944 214 E CA -2.028 54.270 56.400 -0.171 0.000 0.815 214 E CB 3.533 33.179 29.700 -0.089 0.000 1.252 214 E HN 0.585 8.753 8.360 -0.320 0.000 0.418 215 K N 0.348 120.683 120.400 -0.108 0.000 2.206 215 K HA 0.328 nan 4.320 nan 0.000 0.264 215 K C -0.936 175.620 176.600 -0.073 0.000 0.967 215 K CA -0.977 55.253 56.287 -0.095 0.000 0.844 215 K CB 1.384 33.833 32.500 -0.086 0.000 1.099 215 K HN 0.045 8.239 8.250 -0.093 0.000 0.441 216 N N 6.690 125.345 118.700 -0.076 0.000 2.405 216 N HA 0.137 nan 4.740 nan 0.000 0.269 216 N C 0.728 176.194 175.510 -0.072 0.000 1.249 216 N CA -0.902 52.109 53.050 -0.065 0.000 0.974 216 N CB 0.830 39.278 38.487 -0.065 0.000 1.204 216 N HN 0.476 8.802 8.380 -0.091 0.000 0.565 217 D N -1.452 118.913 120.400 -0.060 0.000 2.309 217 D HA -0.235 nan 4.640 nan 0.000 0.212 217 D C 0.047 176.306 176.300 -0.068 0.000 0.968 217 D CA 3.128 57.095 54.000 -0.055 0.000 0.882 217 D CB -0.503 40.273 40.800 -0.039 0.000 0.918 217 D HN 0.562 8.903 8.370 -0.049 0.000 0.503 218 A N -2.551 120.210 122.820 -0.097 0.000 2.307 218 A HA -0.013 nan 4.320 nan 0.000 0.218 218 A C -0.278 177.232 177.584 -0.122 0.000 1.228 218 A CA -0.276 51.693 52.037 -0.113 0.000 0.857 218 A CB 0.323 19.229 19.000 -0.157 0.000 0.897 218 A HN -0.527 7.690 8.150 -0.112 -0.134 0.495 219 N N -4.146 114.488 118.700 -0.110 0.000 2.776 219 N HA -0.455 nan 4.740 nan 0.000 0.250 219 N C -1.642 173.797 175.510 -0.117 0.000 1.112 219 N CA 1.362 54.354 53.050 -0.098 0.000 0.733 219 N CB -0.966 37.477 38.487 -0.075 0.000 1.097 219 N HN 0.219 8.358 8.380 -0.101 0.180 0.558 220 N N -0.780 117.819 118.700 -0.169 0.000 2.456 220 N HA 0.202 nan 4.740 nan 0.000 0.296 220 N C -1.452 173.990 175.510 -0.112 0.000 1.102 220 N CA -0.372 52.568 53.050 -0.184 0.000 0.924 220 N CB 2.281 40.506 38.487 -0.437 0.000 1.186 220 N HN -0.287 8.254 8.380 -0.190 -0.275 0.492 221 E N 0.579 120.744 120.200 -0.059 0.000 2.331 221 E HA 0.210 nan 4.350 nan 0.000 0.272 221 E C -1.345 175.249 176.600 -0.011 0.000 1.036 221 E CA 0.449 56.794 56.400 -0.091 0.000 0.864 221 E CB 1.005 30.607 29.700 -0.163 0.000 1.035 221 E HN 0.427 8.762 8.360 -0.041 0.000 0.408 222 Q N -0.966 118.765 119.800 -0.114 0.000 2.462 222 Q HA 0.596 nan 4.340 nan 0.000 0.285 222 Q C -1.536 174.321 176.000 -0.237 0.000 1.035 222 Q CA -2.085 53.675 55.803 -0.071 0.000 0.799 222 Q CB 3.755 32.585 28.738 0.153 0.000 1.452 222 Q HN 0.464 8.628 8.270 -0.176 0.000 0.404 223 W N 0.358 121.622 121.300 -0.060 0.000 2.388 223 W HA 0.042 nan 4.660 nan 0.000 0.308 223 W C -0.723 175.925 176.519 0.215 0.000 1.263 223 W CA 0.141 57.465 57.345 -0.035 0.000 1.286 223 W CB 0.421 29.702 29.460 -0.298 0.000 1.294 223 W HN 0.354 8.647 8.180 0.189 0.000 0.493 224 D N 5.009 125.668 120.400 0.432 0.000 2.248 224 D HA 0.729 nan 4.640 nan 0.000 0.246 224 D C -1.016 175.481 176.300 0.328 0.000 1.027 224 D CA -0.957 53.268 54.000 0.376 0.000 0.853 224 D CB 3.162 44.055 40.800 0.155 0.000 1.243 224 D HN 0.665 9.105 8.370 0.293 0.106 0.462 225 S N 1.400 117.183 115.700 0.140 0.000 2.607 225 S HA 0.578 nan 4.470 nan 0.000 0.303 225 S C 1.187 175.667 174.600 -0.200 0.000 1.086 225 S CA -1.871 56.195 58.200 -0.222 0.000 0.995 225 S CB 2.735 65.515 63.200 -0.699 0.000 1.084 225 S HN 0.342 8.789 8.310 0.228 0.000 0.507 226 K N 3.282 123.542 120.400 -0.233 0.000 2.113 226 K HA -0.270 nan 4.320 nan 0.000 0.208 226 K C 1.247 177.694 176.600 -0.254 0.000 1.047 226 K CA 2.819 58.988 56.287 -0.196 0.000 0.928 226 K CB -0.572 31.822 32.500 -0.176 0.000 0.716 226 K HN 0.771 8.868 8.250 -0.255 0.000 0.446 227 S N -4.001 111.454 115.700 -0.408 0.000 2.547 227 S HA -0.103 nan 4.470 nan 0.000 0.235 227 S C 0.779 175.022 174.600 -0.595 0.000 0.980 227 S CA 0.672 58.526 58.200 -0.577 0.000 0.941 227 S CB 0.220 62.836 63.200 -0.972 0.000 0.763 227 S HN -0.265 7.768 8.310 -0.441 0.012 0.532 228 G N -0.623 107.955 108.800 -0.369 0.000 2.144 228 G HA2 -0.317 nan 3.960 nan 0.000 0.218 228 G HA3 -0.317 nan 3.960 nan 0.000 0.218 228 G C -0.687 174.254 174.900 0.068 0.000 0.988 228 G CA 0.204 45.219 45.100 -0.142 0.000 0.659 228 G HN -0.221 7.712 8.290 -0.300 0.177 0.522 229 Y N -1.228 119.116 120.300 0.073 0.000 2.432 229 Y HA 0.314 nan 4.550 nan 0.000 0.322 229 Y C -1.330 174.766 175.900 0.326 0.000 1.246 229 Y CA -3.062 55.145 58.100 0.180 0.000 1.268 229 Y CB 1.219 39.822 38.460 0.238 0.000 1.276 229 Y HN -0.872 7.258 8.280 -0.250 0.000 0.499 230 M N -1.917 117.971 119.600 0.480 0.000 2.550 230 M HA 0.709 nan 4.480 nan 0.000 0.292 230 M C -1.734 174.643 176.300 0.128 0.000 1.221 230 M CA -1.377 54.132 55.300 0.349 0.000 0.873 230 M CB 4.299 37.019 32.600 0.199 0.000 1.727 230 M HN 0.350 8.873 8.290 0.387 0.000 0.459 231 M N -0.748 118.838 119.600 -0.024 0.000 2.457 231 M HA 0.519 nan 4.480 nan 0.000 0.300 231 M C -1.533 174.757 176.300 -0.016 0.000 1.141 231 M CA -1.583 53.612 55.300 -0.174 0.000 0.901 231 M CB 4.001 36.271 32.600 -0.550 0.000 1.687 231 M HN 0.875 9.121 8.290 0.100 0.104 0.449 232 L N 2.029 123.210 121.223 -0.069 0.000 2.464 232 L HA 0.109 nan 4.340 nan 0.000 0.264 232 L C -0.902 176.015 176.870 0.077 0.000 1.199 232 L CA -1.067 53.697 54.840 -0.127 0.000 0.818 232 L CB -1.042 40.866 42.059 -0.251 0.000 1.102 232 L HN 0.132 8.601 8.230 -0.087 -0.292 0.473 233 P HA -0.261 nan 4.420 nan 0.000 0.215 233 P C 1.174 178.588 177.300 0.190 0.000 1.157 233 P CA 3.082 66.334 63.100 0.252 0.000 0.874 233 P CB 0.076 31.879 31.700 0.172 0.000 0.790 234 T N -5.868 108.755 114.554 0.115 0.000 2.881 234 T HA -0.290 nan 4.350 nan 0.000 0.270 234 T C 1.347 176.128 174.700 0.136 0.000 1.068 234 T CA 3.579 65.768 62.100 0.147 0.000 1.131 234 T CB -0.885 68.077 68.868 0.157 0.000 0.871 234 T HN -0.121 8.151 8.240 0.053 0.000 0.479 235 D N 1.403 121.874 120.400 0.118 0.000 2.123 235 D HA -0.159 nan 4.640 nan 0.000 0.200 235 D C 1.902 178.174 176.300 -0.045 0.000 0.976 235 D CA 2.870 56.945 54.000 0.125 0.000 0.831 235 D CB -0.430 40.456 40.800 0.143 0.000 0.974 235 D HN -0.697 7.607 8.370 0.091 0.121 0.469 236 Y N 1.555 121.701 120.300 -0.256 0.000 2.352 236 Y HA -0.340 nan 4.550 nan 0.000 0.292 236 Y C 1.849 177.581 175.900 -0.280 0.000 1.136 236 Y CA 2.737 60.550 58.100 -0.478 0.000 1.227 236 Y CB 0.316 38.263 38.460 -0.855 0.000 0.991 236 Y HN -0.226 8.096 8.280 0.071 0.000 0.545 237 S N 0.310 116.019 115.700 0.014 0.000 2.413 237 S HA -0.409 nan 4.470 nan 0.000 0.237 237 S C 1.662 176.289 174.600 0.047 0.000 1.044 237 S CA 4.087 62.328 58.200 0.069 0.000 1.024 237 S CB -0.519 62.788 63.200 0.177 0.000 0.829 237 S HN -0.136 8.242 8.310 0.114 0.000 0.475 238 L N -3.003 118.197 121.223 -0.038 0.000 2.201 238 L HA -0.211 nan 4.340 nan 0.000 0.212 238 L C 0.762 177.599 176.870 -0.054 0.000 1.105 238 L CA 2.231 57.063 54.840 -0.014 0.000 0.775 238 L CB 0.006 42.015 42.059 -0.083 0.000 0.913 238 L HN -0.755 7.279 8.230 -0.082 0.147 0.440 239 I N -8.608 111.807 120.570 -0.258 0.000 3.860 239 I HA 0.007 nan 4.170 nan 0.000 0.319 239 I C 1.118 177.094 176.117 -0.235 0.000 1.279 239 I CA 0.991 62.127 61.300 -0.273 0.000 1.220 239 I CB 0.312 38.055 38.000 -0.429 0.000 1.027 239 I HN -0.467 7.386 8.210 -0.402 0.115 0.428 240 Q N -0.219 119.461 119.800 -0.199 0.000 2.331 240 Q HA -0.127 nan 4.340 nan 0.000 0.203 240 Q C 0.138 176.130 176.000 -0.015 0.000 0.944 240 Q CA 1.423 57.174 55.803 -0.087 0.000 0.892 240 Q CB 0.404 29.131 28.738 -0.018 0.000 0.983 240 Q HN -0.553 7.429 8.270 -0.216 0.158 0.482 241 D N -0.241 120.172 120.400 0.023 0.000 2.198 241 D HA 0.367 nan 4.640 nan 0.000 0.245 241 D C -1.136 175.152 176.300 -0.020 0.000 1.079 241 D CA -3.104 50.895 54.000 -0.002 0.000 0.854 241 D CB 2.646 43.437 40.800 -0.015 0.000 1.148 241 D HN -0.674 7.728 8.370 0.055 0.000 0.456 242 P HA -0.113 nan 4.420 nan 0.000 0.217 242 P C 1.409 178.685 177.300 -0.041 0.000 1.150 242 P CA 2.119 65.196 63.100 -0.038 0.000 0.832 242 P CB 0.601 32.278 31.700 -0.038 0.000 0.787 243 K N -0.783 119.571 120.400 -0.078 0.000 2.001 243 K HA -0.256 nan 4.320 nan 0.000 0.208 243 K C 2.909 179.526 176.600 0.028 0.000 1.048 243 K CA 3.098 59.345 56.287 -0.067 0.000 0.932 243 K CB -0.339 32.077 32.500 -0.140 0.000 0.715 243 K HN -0.682 7.593 8.250 -0.117 -0.095 0.437 244 Y N -1.314 118.966 120.300 -0.033 0.000 2.128 244 Y HA -0.310 nan 4.550 nan 0.000 0.284 244 Y C 2.314 178.177 175.900 -0.062 0.000 1.154 244 Y CA 0.951 59.030 58.100 -0.035 0.000 1.149 244 Y CB -0.603 37.850 38.460 -0.011 0.000 0.976 244 Y HN -0.502 8.010 8.280 -0.118 -0.304 0.505 245 L N -1.107 120.175 121.223 0.099 0.000 2.043 245 L HA -0.455 nan 4.340 nan 0.000 0.212 245 L C 1.560 178.409 176.870 -0.035 0.000 1.075 245 L CA 3.295 58.136 54.840 0.002 0.000 0.752 245 L CB -0.420 41.621 42.059 -0.030 0.000 0.891 245 L HN 0.206 8.500 8.230 0.106 0.000 0.432 246 S N -1.528 114.149 115.700 -0.039 0.000 2.481 246 S HA -0.229 nan 4.470 nan 0.000 0.231 246 S C 2.211 176.730 174.600 -0.134 0.000 0.996 246 S CA 3.024 61.180 58.200 -0.073 0.000 0.942 246 S CB -0.677 62.488 63.200 -0.059 0.000 0.768 246 S HN -0.426 7.871 8.310 -0.021 0.000 0.520 247 I N 1.895 122.373 120.570 -0.154 0.000 2.406 247 I HA -0.338 nan 4.170 nan 0.000 0.249 247 I C 1.125 176.953 176.117 -0.481 0.000 1.122 247 I CA 3.534 64.625 61.300 -0.349 0.000 1.431 247 I CB -0.131 37.706 38.000 -0.270 0.000 1.087 247 I HN -0.696 7.470 8.210 -0.073 0.000 0.424 248 V N 1.270 121.045 119.914 -0.231 0.000 2.282 248 V HA -0.606 nan 4.120 nan 0.000 0.249 248 V C 1.916 177.914 176.094 -0.161 0.000 1.057 248 V CA 5.233 67.457 62.300 -0.126 0.000 1.032 248 V CB -1.147 30.696 31.823 0.033 0.000 0.645 248 V HN 0.085 8.205 8.190 -0.117 0.000 0.447 249 K N -2.329 117.991 120.400 -0.133 0.000 2.097 249 K HA -0.399 nan 4.320 nan 0.000 0.206 249 K C 2.073 178.598 176.600 -0.126 0.000 1.049 249 K CA 3.648 59.875 56.287 -0.101 0.000 0.933 249 K CB -0.410 32.044 32.500 -0.077 0.000 0.717 249 K HN -0.062 8.116 8.250 -0.119 0.000 0.442 250 E N -0.180 119.893 120.200 -0.212 0.000 2.077 250 E HA -0.299 nan 4.350 nan 0.000 0.193 250 E C 2.453 178.993 176.600 -0.100 0.000 0.989 250 E CA 2.958 59.244 56.400 -0.190 0.000 0.800 250 E CB 0.005 29.526 29.700 -0.299 0.000 0.746 250 E HN -0.681 7.433 8.360 -0.264 0.088 0.452 251 Y N -3.024 117.112 120.300 -0.273 0.000 2.395 251 Y HA -0.141 nan 4.550 nan 0.000 0.293 251 Y C 2.307 178.038 175.900 -0.281 0.000 1.123 251 Y CA -0.044 57.819 58.100 -0.395 0.000 1.227 251 Y CB -0.503 37.332 38.460 -1.041 0.000 1.012 251 Y HN -0.298 7.669 8.280 -0.521 0.000 0.552 252 A N -0.519 122.274 122.820 -0.046 0.000 2.014 252 A HA -0.143 nan 4.320 nan 0.000 0.218 252 A C 1.012 178.611 177.584 0.025 0.000 1.163 252 A CA 2.207 54.268 52.037 0.041 0.000 0.652 252 A CB -0.278 18.750 19.000 0.047 0.000 0.808 252 A HN -0.055 8.030 8.150 -0.109 0.000 0.449 253 N N -3.653 115.052 118.700 0.008 0.000 2.336 253 N HA -0.037 nan 4.740 nan 0.000 0.189 253 N C -0.935 174.590 175.510 0.025 0.000 1.113 253 N CA 0.671 53.728 53.050 0.011 0.000 0.858 253 N CB 1.072 39.556 38.487 -0.004 0.000 0.970 253 N HN -0.498 7.859 8.380 -0.012 0.015 0.471 254 D N -0.266 120.166 120.400 0.053 0.000 2.337 254 D HA 0.203 nan 4.640 nan 0.000 0.238 254 D C -0.366 175.986 176.300 0.088 0.000 1.331 254 D CA -0.391 53.647 54.000 0.064 0.000 0.967 254 D CB 0.623 41.472 40.800 0.082 0.000 1.382 254 D HN -0.756 7.489 8.370 0.065 0.164 0.549 255 Q N 3.639 123.456 119.800 0.028 0.000 2.170 255 Q HA -0.375 nan 4.340 nan 0.000 0.203 255 Q C 1.212 177.150 176.000 -0.103 0.000 0.976 255 Q CA 3.152 58.950 55.803 -0.009 0.000 0.858 255 Q CB -0.071 28.583 28.738 -0.140 0.000 0.907 255 Q HN 0.285 8.555 8.270 -0.000 0.000 0.433 256 D N 0.667 121.011 120.400 -0.093 0.000 2.117 256 D HA -0.279 nan 4.640 nan 0.000 0.197 256 D C 1.860 178.202 176.300 0.069 0.000 0.987 256 D CA 3.288 57.262 54.000 -0.043 0.000 0.829 256 D CB -0.074 40.712 40.800 -0.023 0.000 0.961 256 D HN -0.002 8.325 8.370 -0.071 0.000 0.460 257 K N -0.074 120.387 120.400 0.100 0.000 2.026 257 K HA -0.270 nan 4.320 nan 0.000 0.208 257 K C 1.921 178.595 176.600 0.124 0.000 1.048 257 K CA 2.325 58.701 56.287 0.149 0.000 0.929 257 K CB -0.476 32.151 32.500 0.211 0.000 0.713 257 K HN -0.767 7.809 8.250 0.088 -0.273 0.439 258 F N 1.152 121.040 119.950 -0.103 0.000 2.065 258 F HA -0.414 nan 4.527 nan 0.000 0.298 258 F C 1.776 177.618 175.800 0.070 0.000 1.112 258 F CA 2.624 60.383 58.000 -0.402 0.000 1.212 258 F CB -0.320 38.540 39.000 -0.233 0.000 0.975 258 F HN -0.515 7.924 8.300 0.231 0.000 0.476 259 F N -1.603 118.147 119.950 -0.335 0.000 2.126 259 F HA -0.484 nan 4.527 nan 0.000 0.299 259 F C 2.128 177.825 175.800 -0.171 0.000 1.096 259 F CA 2.504 60.316 58.000 -0.314 0.000 1.255 259 F CB -0.771 38.159 39.000 -0.115 0.000 0.997 259 F HN 0.261 8.748 8.300 0.312 0.000 0.479 260 K N -0.500 119.957 120.400 0.094 0.000 2.057 260 K HA -0.390 nan 4.320 nan 0.000 0.206 260 K C 2.118 178.732 176.600 0.023 0.000 1.050 260 K CA 3.630 59.948 56.287 0.053 0.000 0.935 260 K CB -0.163 32.376 32.500 0.066 0.000 0.715 260 K HN -0.095 8.236 8.250 0.135 0.000 0.439 261 D N -0.240 120.173 120.400 0.021 0.000 2.183 261 D HA -0.187 nan 4.640 nan 0.000 0.203 261 D C 2.186 178.490 176.300 0.007 0.000 0.969 261 D CA 3.039 57.061 54.000 0.037 0.000 0.842 261 D CB -0.413 40.457 40.800 0.116 0.000 0.957 261 D HN -0.140 8.241 8.370 0.017 0.000 0.484 262 F N 1.441 121.261 119.950 -0.217 0.000 2.134 262 F HA -0.354 nan 4.527 nan 0.000 0.299 262 F C 1.362 177.092 175.800 -0.118 0.000 1.097 262 F CA 3.284 61.157 58.000 -0.210 0.000 1.264 262 F CB 0.574 39.297 39.000 -0.460 0.000 1.001 262 F HN 0.235 8.486 8.300 -0.082 0.000 0.479 263 S N -0.550 115.126 115.700 -0.040 0.000 2.359 263 S HA -0.435 nan 4.470 nan 0.000 0.223 263 S C 2.421 176.978 174.600 -0.072 0.000 1.039 263 S CA 4.064 62.234 58.200 -0.049 0.000 1.042 263 S CB -0.386 62.799 63.200 -0.025 0.000 0.915 263 S HN -0.260 8.059 8.310 0.015 0.000 0.439 264 K N 0.153 120.517 120.400 -0.060 0.000 2.057 264 K HA -0.288 nan 4.320 nan 0.000 0.207 264 K C 2.204 178.760 176.600 -0.073 0.000 1.049 264 K CA 3.143 59.398 56.287 -0.054 0.000 0.931 264 K CB -0.066 32.418 32.500 -0.026 0.000 0.714 264 K HN -0.685 7.540 8.250 -0.041 0.000 0.440 265 A N -1.047 121.710 122.820 -0.104 0.000 2.014 265 A HA -0.088 nan 4.320 nan 0.000 0.218 265 A C 2.148 179.666 177.584 -0.110 0.000 1.163 265 A CA 2.683 54.660 52.037 -0.101 0.000 0.652 265 A CB -0.677 18.264 19.000 -0.099 0.000 0.808 265 A HN -0.306 7.775 8.150 -0.114 0.000 0.449 266 F N -0.078 119.597 119.950 -0.458 0.000 2.206 266 F HA -0.262 nan 4.527 nan 0.000 0.298 266 F C 1.277 176.981 175.800 -0.161 0.000 1.090 266 F CA 1.939 59.695 58.000 -0.407 0.000 1.323 266 F CB 0.481 39.072 39.000 -0.682 0.000 1.028 266 F HN 0.439 8.552 8.300 -0.313 0.000 0.492 267 E N -0.028 120.113 120.200 -0.097 0.000 2.051 267 E HA -0.499 nan 4.350 nan 0.000 0.192 267 E C 1.885 178.406 176.600 -0.131 0.000 0.991 267 E CA 3.418 59.746 56.400 -0.121 0.000 0.799 267 E CB -0.159 29.491 29.700 -0.083 0.000 0.748 267 E HN -0.410 7.918 8.360 -0.053 0.000 0.449 268 K N -0.849 119.492 120.400 -0.099 0.000 2.063 268 K HA -0.335 nan 4.320 nan 0.000 0.208 268 K C 2.366 178.907 176.600 -0.098 0.000 1.048 268 K CA 3.055 59.290 56.287 -0.087 0.000 0.928 268 K CB -0.071 32.400 32.500 -0.050 0.000 0.713 268 K HN -0.582 7.616 8.250 -0.086 0.000 0.442 269 L N -1.345 119.840 121.223 -0.063 0.000 2.013 269 L HA -0.308 nan 4.340 nan 0.000 0.212 269 L C 1.705 178.524 176.870 -0.085 0.000 1.073 269 L CA 2.939 57.775 54.840 -0.007 0.000 0.753 269 L CB -0.160 41.954 42.059 0.091 0.000 0.890 269 L HN -0.345 7.852 8.230 -0.055 0.000 0.432 270 L N -4.492 116.627 121.223 -0.174 0.000 2.291 270 L HA -0.225 nan 4.340 nan 0.000 0.214 270 L C 1.524 178.327 176.870 -0.113 0.000 1.120 270 L CA 2.275 57.020 54.840 -0.158 0.000 0.799 270 L CB 0.204 42.133 42.059 -0.217 0.000 0.925 270 L HN -0.399 7.605 8.230 -0.226 0.090 0.446 271 E N -3.515 116.610 120.200 -0.125 0.000 2.452 271 E HA -0.011 nan 4.350 nan 0.000 0.197 271 E C -0.104 176.367 176.600 -0.216 0.000 1.022 271 E CA 0.031 56.389 56.400 -0.071 0.000 0.890 271 E CB 0.805 30.513 29.700 0.014 0.000 0.918 271 E HN -0.350 7.781 8.360 -0.140 0.145 0.496 272 N N 0.519 118.966 118.700 -0.421 0.000 2.357 272 N HA -0.253 nan 4.740 nan 0.000 0.257 272 N C 0.346 175.214 175.510 -1.069 0.000 1.250 272 N CA 2.173 54.657 53.050 -0.944 0.000 0.862 272 N CB 0.032 37.707 38.487 -1.354 0.000 1.066 272 N HN -0.488 7.696 8.380 -0.327 0.000 0.468 273 G N 0.106 108.390 108.800 -0.860 0.000 2.234 273 G HA2 -0.367 nan 3.960 nan 0.000 0.235 273 G HA3 -0.367 nan 3.960 nan 0.000 0.235 273 G C -0.767 174.038 174.900 -0.159 0.000 0.997 273 G CA 0.340 45.265 45.100 -0.291 0.000 0.623 273 G HN 0.323 8.176 8.290 -0.729 0.000 0.514 274 I N 2.067 122.472 120.570 -0.275 0.000 2.353 274 I HA -0.003 nan 4.170 nan 0.000 0.293 274 I C -0.674 175.158 176.117 -0.476 0.000 0.992 274 I CA -0.360 60.694 61.300 -0.411 0.000 1.268 274 I CB 0.264 37.937 38.000 -0.545 0.000 1.387 274 I HN -0.536 7.413 8.210 -0.305 0.078 0.478 275 T N 8.975 123.272 114.554 -0.428 0.000 2.743 275 T HA 0.310 nan 4.350 nan 0.000 0.293 275 T C -1.231 173.237 174.700 -0.387 0.000 0.945 275 T CA -0.269 61.660 62.100 -0.284 0.000 1.030 275 T CB 0.302 69.072 68.868 -0.162 0.000 0.912 275 T HN 0.929 8.830 8.240 -0.389 0.105 0.483 276 F N 6.678 126.589 119.950 -0.064 0.000 2.385 276 F HA 0.289 nan 4.527 nan 0.000 0.360 276 F C -1.398 174.369 175.800 -0.055 0.000 1.122 276 F CA -3.205 54.753 58.000 -0.070 0.000 1.090 276 F CB 0.051 38.985 39.000 -0.110 0.000 1.150 276 F HN 0.212 8.574 8.300 0.103 0.000 0.472 277 P HA -0.020 nan 4.420 nan 0.000 0.266 277 P C 0.419 177.746 177.300 0.046 0.000 1.193 277 P CA -0.547 62.584 63.100 0.051 0.000 0.770 277 P CB 0.776 32.499 31.700 0.038 0.000 0.836 278 K N 1.978 122.391 120.400 0.022 0.000 2.439 278 K HA -0.127 nan 4.320 nan 0.000 0.197 278 K C 0.129 176.729 176.600 0.000 0.000 1.041 278 K CA 1.923 58.214 56.287 0.007 0.000 0.970 278 K CB -0.255 32.245 32.500 -0.001 0.000 0.773 278 K HN 0.439 8.700 8.250 0.018 0.000 0.479 279 D N -3.024 117.382 120.400 0.010 0.000 2.340 279 D HA -0.071 nan 4.640 nan 0.000 0.220 279 D C -0.687 175.621 176.300 0.013 0.000 1.039 279 D CA -0.433 53.573 54.000 0.010 0.000 0.866 279 D CB -0.505 40.305 40.800 0.016 0.000 0.913 279 D HN -0.343 7.997 8.370 0.016 0.040 0.523 280 A N 2.229 125.058 122.820 0.015 0.000 2.407 280 A HA 0.091 nan 4.320 nan 0.000 0.248 280 A C -1.338 176.218 177.584 -0.047 0.000 1.082 280 A CA -1.308 50.735 52.037 0.011 0.000 0.785 280 A CB -0.561 18.472 19.000 0.054 0.000 1.020 280 A HN -0.397 7.579 8.150 0.019 0.186 0.489 281 P HA -0.002 nan 4.420 nan 0.000 0.270 281 P C -0.768 176.369 177.300 -0.272 0.000 1.223 281 P CA -0.688 62.343 63.100 -0.116 0.000 0.785 281 P CB 0.556 32.237 31.700 -0.032 0.000 0.923 282 S N 0.449 116.008 115.700 -0.235 0.000 2.569 282 S HA -0.034 nan 4.470 nan 0.000 0.274 282 S C -1.295 172.998 174.600 -0.512 0.000 1.353 282 S CA -0.262 57.758 58.200 -0.299 0.000 1.023 282 S CB -0.322 62.768 63.200 -0.184 0.000 0.876 282 S HN -0.056 8.171 8.310 -0.138 0.000 0.540 283 P HA 0.016 nan 4.420 nan 0.000 0.268 283 P C -1.446 175.625 177.300 -0.382 0.000 1.204 283 P CA -0.109 62.674 63.100 -0.527 0.000 0.768 283 P CB 0.439 31.915 31.700 -0.373 0.000 0.842 284 F N 3.404 123.238 119.950 -0.194 0.000 2.399 284 F HA 0.055 nan 4.527 nan 0.000 0.342 284 F C -0.127 175.424 175.800 -0.414 0.000 1.106 284 F CA -0.958 56.864 58.000 -0.297 0.000 1.196 284 F CB 0.890 39.650 39.000 -0.400 0.000 1.163 284 F HN 0.512 8.444 8.300 -0.614 0.000 0.547 285 I N 3.228 123.691 120.570 -0.178 0.000 2.359 285 I HA 0.090 nan 4.170 nan 0.000 0.284 285 I C -1.212 174.786 176.117 -0.199 0.000 1.018 285 I CA -1.641 59.556 61.300 -0.172 0.000 1.173 285 I CB -0.332 37.614 38.000 -0.090 0.000 1.326 285 I HN 0.245 8.389 8.210 -0.109 0.000 0.462 286 F N 6.032 126.008 119.950 0.044 0.000 2.399 286 F HA 0.007 nan 4.527 nan 0.000 0.342 286 F C -0.079 175.540 175.800 -0.301 0.000 1.106 286 F CA -0.952 56.933 58.000 -0.192 0.000 1.196 286 F CB 0.753 39.357 39.000 -0.659 0.000 1.163 286 F HN 0.210 8.371 8.300 -0.231 0.000 0.547 287 K N 3.865 124.234 120.400 -0.052 0.000 2.295 287 K HA 0.089 nan 4.320 nan 0.000 0.270 287 K C -0.043 176.462 176.600 -0.159 0.000 1.011 287 K CA 0.403 56.650 56.287 -0.067 0.000 0.953 287 K CB 0.455 32.962 32.500 0.012 0.000 0.956 287 K HN 0.328 8.623 8.250 0.076 0.000 0.477 288 T N -2.831 111.727 114.554 0.006 0.000 2.828 288 T HA 0.210 nan 4.350 nan 0.000 0.290 288 T C 1.410 176.197 174.700 0.145 0.000 1.019 288 T CA -1.267 60.921 62.100 0.147 0.000 1.031 288 T CB 1.573 70.529 68.868 0.146 0.000 1.001 288 T HN -0.049 8.524 8.240 0.026 -0.317 0.531 289 L N 0.940 122.276 121.223 0.189 0.000 2.043 289 L HA -0.440 nan 4.340 nan 0.000 0.212 289 L C 1.932 178.853 176.870 0.085 0.000 1.075 289 L CA 3.832 58.745 54.840 0.121 0.000 0.752 289 L CB -0.550 41.573 42.059 0.106 0.000 0.891 289 L HN -0.115 8.486 8.230 0.254 -0.219 0.432 290 E N -0.576 119.675 120.200 0.085 0.000 2.058 290 E HA -0.381 nan 4.350 nan 0.000 0.194 290 E C 2.788 179.422 176.600 0.058 0.000 0.997 290 E CA 3.118 59.558 56.400 0.067 0.000 0.801 290 E CB -0.473 29.268 29.700 0.069 0.000 0.746 290 E HN 0.145 8.559 8.360 0.099 0.006 0.450 291 E N -1.691 118.544 120.200 0.058 0.000 2.268 291 E HA -0.236 nan 4.350 nan 0.000 0.195 291 E C 2.096 178.722 176.600 0.043 0.000 0.995 291 E CA 2.051 58.478 56.400 0.046 0.000 0.836 291 E CB -0.210 29.515 29.700 0.042 0.000 0.763 291 E HN -0.427 7.974 8.360 0.067 0.000 0.491 292 Q N -3.322 116.507 119.800 0.048 0.000 2.424 292 Q HA -0.025 nan 4.340 nan 0.000 0.204 292 Q C 0.882 176.907 176.000 0.041 0.000 0.933 292 Q CA 0.138 55.968 55.803 0.045 0.000 0.929 292 Q CB 0.842 29.610 28.738 0.050 0.000 1.037 292 Q HN -0.463 7.701 8.270 0.057 0.140 0.511 293 G N -1.315 107.510 108.800 0.042 0.000 2.179 293 G HA2 -0.401 nan 3.960 nan 0.000 0.257 293 G HA3 -0.401 nan 3.960 nan 0.000 0.257 293 G C -0.649 174.274 174.900 0.038 0.000 1.010 293 G CA 0.619 45.742 45.100 0.038 0.000 0.736 293 G HN -0.423 7.721 8.290 0.046 0.174 0.513 294 L N 0.000 121.250 121.223 0.045 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.866 54.840 0.044 0.000 0.813 294 L CB 0.000 42.089 42.059 0.050 0.000 0.961 294 L HN 0.000 8.226 8.230 0.051 0.034 0.502