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 1p73_1_C DATA FIRST_RESID 22 DATA SEQUENCE MVTIVRIYLD GVYGIGKSTT GRVMASXXXX XSPTLYFPEP MAYWRTLFET DATA SEQUENCE DVISGIYDTQ NRXXXXXXXV DDAALITAHY QSRFTTPYLI LHDHTCTLFG DATA SEQUENCE GNSLQRGTQP DLTLVFDRHP VASTVCFPAA RYLLGDMSMC ALMAMVATLP DATA SEQUENCE REPQGGNIVV TTLNVEEHIR RLRTRARXXE QIDITLIATL RNVYFMLVNT DATA SEQUENCE CHFLRSGRVW RDGWGELPTS CGAYKHRATQ MDAFQERVSP ELGDTLFALF DATA SEQUENCE KTQELLDDRG VILEVHAWAL DALMLKLRNL NVFSADLSGT PRQCAAVVES DATA SEQUENCE LLPLMSSTLS DFDSASALER AARTFNAEMG V 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.354 176.300 0.089 0.000 1.140 22 M CA 0.000 55.344 55.300 0.074 0.000 0.988 22 M CB 0.000 32.633 32.600 0.055 0.000 1.302 23 V N 1.591 121.561 119.914 0.094 0.000 2.459 23 V HA 0.672 4.792 4.120 0.000 0.000 0.295 23 V C -0.286 175.850 176.094 0.070 0.000 1.029 23 V CA -0.622 61.733 62.300 0.091 0.000 0.874 23 V CB 2.126 34.006 31.823 0.095 0.000 0.985 23 V HN 0.844 nan 8.190 nan 0.000 0.438 24 T N 6.643 121.232 114.554 0.059 0.000 2.743 24 T HA 0.590 4.940 4.350 0.000 0.000 0.293 24 T C -0.197 174.530 174.700 0.045 0.000 0.945 24 T CA 0.095 62.224 62.100 0.049 0.000 1.030 24 T CB 0.022 68.914 68.868 0.041 0.000 0.912 24 T HN 0.368 nan 8.240 nan 0.000 0.483 25 I N 3.214 123.812 120.570 0.047 0.000 2.474 25 I HA 0.545 4.715 4.170 0.000 0.000 0.294 25 I C -0.603 175.519 176.117 0.008 0.000 1.005 25 I CA -1.191 60.132 61.300 0.037 0.000 1.113 25 I CB 2.127 40.170 38.000 0.071 0.000 1.289 25 I HN 0.215 nan 8.210 nan 0.000 0.436 26 V N 6.105 126.011 119.914 -0.013 0.000 2.443 26 V HA 0.433 4.553 4.120 0.000 0.000 0.293 26 V C -0.146 175.901 176.094 -0.077 0.000 1.021 26 V CA -0.717 61.561 62.300 -0.036 0.000 0.848 26 V CB 1.827 33.637 31.823 -0.022 0.000 0.998 26 V HN 0.788 nan 8.190 nan 0.000 0.424 27 R N 5.539 125.951 120.500 -0.147 0.000 2.460 27 R HA 0.804 5.144 4.340 0.000 0.000 0.303 27 R C -1.503 174.696 176.300 -0.167 0.000 0.968 27 R CA -0.639 55.338 56.100 -0.205 0.000 0.889 27 R CB 1.966 31.990 30.300 -0.460 0.000 1.123 27 R HN 0.584 nan 8.270 nan 0.000 0.455 28 I N 3.168 123.661 120.570 -0.129 0.000 2.436 28 I HA 0.300 4.470 4.170 0.000 0.000 0.289 28 I C -1.061 175.025 176.117 -0.052 0.000 1.010 28 I CA -1.214 60.063 61.300 -0.038 0.000 1.098 28 I CB 1.791 39.802 38.000 0.018 0.000 1.266 28 I HN 0.572 nan 8.210 nan 0.000 0.434 29 Y N 6.184 126.601 120.300 0.194 0.000 2.353 29 Y HA 0.437 4.988 4.550 0.000 0.000 0.340 29 Y C -0.083 175.932 175.900 0.192 0.000 0.972 29 Y CA -0.572 57.668 58.100 0.234 0.000 1.157 29 Y CB 1.051 39.630 38.460 0.198 0.000 1.157 29 Y HN 0.337 nan 8.280 nan 0.000 0.495 30 L N 4.928 126.344 121.223 0.321 0.000 2.278 30 L HA 0.266 4.606 4.340 0.000 0.000 0.287 30 L C -0.160 176.842 176.870 0.219 0.000 1.072 30 L CA 0.220 55.199 54.840 0.232 0.000 0.819 30 L CB 0.290 42.477 42.059 0.212 0.000 1.176 30 L HN 0.674 nan 8.230 nan 0.000 0.435 31 D N 1.467 121.950 120.400 0.139 0.000 2.533 31 D HA 0.839 5.479 4.640 0.000 0.000 0.247 31 D C -0.115 176.061 176.300 -0.207 0.000 1.056 31 D CA 0.062 54.099 54.000 0.061 0.000 1.054 31 D CB 2.651 43.554 40.800 0.172 0.000 1.400 31 D HN 0.590 nan 8.370 nan 0.000 0.533 32 G N -0.794 107.637 108.800 -0.615 0.000 2.369 32 G HA2 0.097 4.057 3.960 0.000 0.000 0.295 32 G HA3 0.097 4.057 3.960 0.000 0.000 0.295 32 G C -1.010 173.414 174.900 -0.794 0.000 1.298 32 G CA -0.516 43.932 45.100 -1.087 0.000 0.940 32 G HN 0.374 nan 8.290 nan 0.000 0.536 33 V N 0.786 120.370 119.914 -0.550 0.000 2.872 33 V HA 0.378 4.498 4.120 0.000 0.000 0.307 33 V C 0.879 176.983 176.094 0.017 0.000 1.072 33 V CA 0.410 62.615 62.300 -0.158 0.000 1.148 33 V CB 0.075 31.869 31.823 -0.048 0.000 0.954 33 V HN 1.085 nan 8.190 nan 0.000 0.490 34 Y N 1.204 121.590 120.300 0.143 0.000 2.379 34 Y HA 0.557 5.107 4.550 0.000 0.000 0.337 34 Y C 1.167 177.212 175.900 0.242 0.000 1.238 34 Y CA -0.338 57.883 58.100 0.202 0.000 1.405 34 Y CB 0.288 38.913 38.460 0.275 0.000 1.310 34 Y HN 0.976 nan 8.280 nan 0.000 0.569 35 G N 2.470 111.420 108.800 0.249 0.000 2.157 35 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 35 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 35 G C 0.500 175.424 174.900 0.040 0.000 0.979 35 G CA 0.352 45.557 45.100 0.175 0.000 0.650 35 G HN 0.767 nan 8.290 nan 0.000 0.529 36 I N 0.108 120.600 120.570 -0.130 0.000 2.480 36 I HA 0.282 4.452 4.170 0.000 0.000 0.251 36 I C 2.096 178.156 176.117 -0.094 0.000 1.124 36 I CA 1.593 62.731 61.300 -0.271 0.000 1.444 36 I CB 0.057 37.845 38.000 -0.354 0.000 1.098 36 I HN 0.916 nan 8.210 nan 0.000 0.428 37 G N 1.420 110.211 108.800 -0.015 0.000 2.148 37 G HA2 -0.195 3.765 3.960 0.000 0.000 0.120 37 G HA3 -0.195 3.765 3.960 0.000 0.000 0.120 37 G C 0.958 175.878 174.900 0.033 0.000 1.034 37 G CA 0.276 45.386 45.100 0.017 0.000 0.710 37 G HN 0.292 nan 8.290 nan 0.000 0.495 38 K N 0.670 121.104 120.400 0.057 0.000 2.026 38 K HA -0.047 4.273 4.320 0.000 0.000 0.208 38 K C 2.387 179.069 176.600 0.137 0.000 1.048 38 K CA 2.052 58.393 56.287 0.090 0.000 0.929 38 K CB -0.411 32.153 32.500 0.107 0.000 0.713 38 K HN 0.234 nan 8.250 nan 0.000 0.439 39 S N 0.416 116.221 115.700 0.176 0.000 2.359 39 S HA -0.154 4.316 4.470 0.000 0.000 0.222 39 S C 1.976 176.610 174.600 0.056 0.000 1.038 39 S CA 2.004 60.331 58.200 0.213 0.000 1.051 39 S CB -0.625 62.713 63.200 0.231 0.000 0.944 39 S HN 0.500 nan 8.310 nan 0.000 0.433 40 T N 1.751 116.324 114.554 0.032 0.000 2.653 40 T HA -0.152 4.198 4.350 0.000 0.000 0.268 40 T C 2.012 176.668 174.700 -0.073 0.000 1.035 40 T CA 1.941 64.024 62.100 -0.029 0.000 1.154 40 T CB -0.818 68.049 68.868 -0.000 0.000 0.862 40 T HN 0.465 nan 8.240 nan 0.000 0.441 41 T N 0.813 115.346 114.554 -0.034 0.000 2.665 41 T HA -0.097 4.254 4.350 0.000 0.000 0.268 41 T C 2.121 176.771 174.700 -0.083 0.000 1.035 41 T CA 1.452 63.528 62.100 -0.039 0.000 1.151 41 T CB -0.882 67.986 68.868 -0.001 0.000 0.862 41 T HN 0.541 nan 8.240 nan 0.000 0.438 42 G N 1.314 110.059 108.800 -0.092 0.000 2.418 42 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 42 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 42 G C 1.709 176.213 174.900 -0.661 0.000 1.158 42 G CA 0.339 45.323 45.100 -0.193 0.000 0.771 42 G HN 0.416 nan 8.290 nan 0.000 0.545 43 R N -0.152 119.834 120.500 -0.856 0.000 2.091 43 R HA -0.063 4.277 4.340 0.000 0.000 0.238 43 R C 2.626 178.738 176.300 -0.315 0.000 1.136 43 R CA 1.336 57.033 56.100 -0.672 0.000 0.959 43 R CB -0.716 29.336 30.300 -0.414 0.000 0.856 43 R HN 0.317 nan 8.270 nan 0.000 0.437 44 V N 1.334 121.120 119.914 -0.214 0.000 2.407 44 V HA -0.239 3.882 4.120 0.000 0.000 0.248 44 V C 2.317 178.350 176.094 -0.101 0.000 1.055 44 V CA 1.654 63.881 62.300 -0.123 0.000 1.049 44 V CB -0.383 31.390 31.823 -0.083 0.000 0.662 44 V HN 0.320 nan 8.190 nan 0.000 0.455 45 M N -0.109 119.426 119.600 -0.107 0.000 2.213 45 M HA -0.120 4.360 4.480 0.000 0.000 0.263 45 M C 2.127 178.393 176.300 -0.056 0.000 1.062 45 M CA 1.928 57.190 55.300 -0.063 0.000 1.105 45 M CB -0.407 32.173 32.600 -0.033 0.000 1.385 45 M HN 0.383 nan 8.290 nan 0.000 0.417 46 A N -0.866 121.902 122.820 -0.086 0.000 2.169 46 A HA 0.169 4.489 4.320 0.000 0.000 0.212 46 A C 0.883 178.433 177.584 -0.056 0.000 1.153 46 A CA 0.456 52.460 52.037 -0.056 0.000 0.756 46 A CB -0.050 18.925 19.000 -0.042 0.000 0.813 46 A HN 0.421 nan 8.150 nan 0.000 0.471 54 P HA 0.455 nan 4.420 nan 0.000 0.264 54 P C -0.617 176.680 177.300 -0.005 0.000 1.183 54 P CA 0.200 63.299 63.100 -0.002 0.000 0.763 54 P CB 0.684 32.385 31.700 0.002 0.000 0.807 55 T N 3.037 117.584 114.554 -0.011 0.000 2.949 55 T HA 0.467 4.817 4.350 0.000 0.000 0.300 55 T C -0.426 174.265 174.700 -0.016 0.000 0.988 55 T CA -0.517 61.577 62.100 -0.010 0.000 0.993 55 T CB 0.414 69.277 68.868 -0.008 0.000 0.984 55 T HN 0.133 nan 8.240 nan 0.000 0.442 56 L N 2.982 124.189 121.223 -0.025 0.000 2.331 56 L HA 0.658 4.998 4.340 0.000 0.000 0.275 56 L C -0.992 175.853 176.870 -0.043 0.000 1.022 56 L CA -1.220 53.575 54.840 -0.076 0.000 0.812 56 L CB 1.230 43.198 42.059 -0.152 0.000 1.257 56 L HN 0.615 nan 8.230 nan 0.000 0.435 57 Y N 2.168 122.325 120.300 -0.238 0.000 2.332 57 Y HA 0.495 5.045 4.550 0.000 0.000 0.326 57 Y C -1.234 174.525 175.900 -0.235 0.000 0.978 57 Y CA -1.029 56.974 58.100 -0.161 0.000 1.205 57 Y CB 0.953 39.365 38.460 -0.080 0.000 1.131 57 Y HN 0.291 nan 8.280 nan 0.000 0.462 58 F N 8.819 128.361 119.950 -0.680 0.000 2.375 58 F HA 0.394 4.921 4.527 0.000 0.000 0.362 58 F C -1.890 173.497 175.800 -0.688 0.000 1.129 58 F CA -2.308 55.383 58.000 -0.516 0.000 1.154 58 F CB 0.428 39.086 39.000 -0.570 0.000 1.205 58 F HN 0.394 nan 8.300 nan 0.000 0.513 59 P HA 0.046 nan 4.420 nan 0.000 0.275 59 P C -0.317 177.018 177.300 0.058 0.000 1.266 59 P CA -0.400 62.528 63.100 -0.287 0.000 0.793 59 P CB 0.832 32.539 31.700 0.011 0.000 1.074 60 E N 0.922 121.171 120.200 0.082 0.000 2.415 60 E HA 0.049 4.399 4.350 0.000 0.000 0.262 60 E C -1.661 174.766 176.600 -0.289 0.000 1.038 60 E CA -1.325 55.077 56.400 0.002 0.000 0.921 60 E CB 0.008 29.789 29.700 0.135 0.000 0.950 60 E HN 0.326 nan 8.360 nan 0.000 0.438 61 P HA 0.031 nan 4.420 nan 0.000 0.225 61 P C 0.118 176.939 177.300 -0.798 0.000 1.813 61 P CA 0.072 62.681 63.100 -0.818 0.000 1.013 61 P CB 0.168 31.314 31.700 -0.923 0.000 1.961 62 M N 2.180 121.539 119.600 -0.403 0.000 2.132 62 M HA -0.077 4.403 4.480 0.000 0.000 0.263 62 M C 2.024 178.310 176.300 -0.024 0.000 1.065 62 M CA 1.770 57.017 55.300 -0.089 0.000 1.122 62 M CB -1.118 31.497 32.600 0.026 0.000 1.365 62 M HN 0.192 nan 8.290 nan 0.000 0.411 63 A N -1.304 121.453 122.820 -0.105 0.000 1.908 63 A HA -0.242 4.078 4.320 0.000 0.000 0.218 63 A C 2.193 179.752 177.584 -0.041 0.000 1.181 63 A CA 1.824 53.812 52.037 -0.081 0.000 0.627 63 A CB -1.386 17.529 19.000 -0.141 0.000 0.818 63 A HN 0.648 nan 8.150 nan 0.000 0.445 64 Y N -1.092 119.102 120.300 -0.177 0.000 2.145 64 Y HA -0.271 4.279 4.550 0.000 0.000 0.286 64 Y C 2.315 178.296 175.900 0.135 0.000 1.145 64 Y CA 2.016 60.082 58.100 -0.056 0.000 1.148 64 Y CB -0.175 38.181 38.460 -0.174 0.000 0.981 64 Y HN 0.474 nan 8.280 nan 0.000 0.507 65 W N 0.105 121.508 121.300 0.172 0.000 2.381 65 W HA -0.092 4.568 4.660 0.000 0.000 0.301 65 W C 2.421 178.914 176.519 -0.043 0.000 1.205 65 W CA 1.239 58.578 57.345 -0.010 0.000 1.285 65 W CB -0.762 28.638 29.460 -0.101 0.000 1.133 65 W HN 0.077 nan 8.180 nan 0.000 0.521 66 R N -2.106 118.520 120.500 0.210 0.000 2.195 66 R HA 0.080 4.421 4.340 0.000 0.000 0.197 66 R C 1.600 177.931 176.300 0.051 0.000 0.990 66 R CA 1.164 57.328 56.100 0.108 0.000 1.048 66 R CB 0.106 30.469 30.300 0.105 0.000 0.997 66 R HN -0.020 nan 8.270 nan 0.000 0.502 67 T N -0.212 114.350 114.554 0.013 0.000 3.010 67 T HA 0.270 4.620 4.350 0.000 0.000 0.253 67 T C 1.228 175.845 174.700 -0.138 0.000 0.939 67 T CA -0.194 61.877 62.100 -0.048 0.000 0.910 67 T CB 0.639 69.476 68.868 -0.052 0.000 1.226 67 T HN -0.024 nan 8.240 nan 0.000 0.508 68 L N 0.508 121.582 121.223 -0.248 0.000 2.554 68 L HA 0.379 4.719 4.340 0.000 0.000 0.226 68 L C -0.321 176.045 176.870 -0.840 0.000 1.137 68 L CA 0.520 55.024 54.840 -0.560 0.000 0.863 68 L CB 0.017 41.612 42.059 -0.773 0.000 0.985 68 L HN 0.150 nan 8.230 nan 0.000 0.451 69 F N -1.494 118.368 119.950 -0.147 0.000 2.620 69 F HA 0.381 4.908 4.527 0.000 0.000 0.320 69 F C 1.414 177.180 175.800 -0.056 0.000 1.069 69 F CA -0.520 57.416 58.000 -0.108 0.000 0.953 69 F CB 0.923 39.851 39.000 -0.120 0.000 1.322 69 F HN -0.258 nan 8.300 nan 0.000 0.479 70 E N -0.486 119.824 120.200 0.183 0.000 2.085 70 E HA -0.055 4.295 4.350 0.000 0.000 0.194 70 E C 0.645 177.300 176.600 0.092 0.000 0.994 70 E CA 1.859 58.319 56.400 0.099 0.000 0.801 70 E CB -0.888 28.863 29.700 0.086 0.000 0.743 70 E HN 0.482 nan 8.360 nan 0.000 0.453 71 T N 0.992 115.617 114.554 0.118 0.000 2.829 71 T HA 0.376 4.726 4.350 0.000 0.000 0.282 71 T C -0.714 174.028 174.700 0.071 0.000 0.990 71 T CA -0.469 61.691 62.100 0.099 0.000 1.028 71 T CB 1.448 70.402 68.868 0.144 0.000 0.951 71 T HN 0.269 nan 8.240 nan 0.000 0.460 72 D N 2.923 123.332 120.400 0.015 0.000 2.380 72 D HA 0.138 4.778 4.640 0.000 0.000 0.230 72 D C 1.561 177.758 176.300 -0.172 0.000 1.154 72 D CA -0.482 53.497 54.000 -0.034 0.000 0.859 72 D CB 1.166 41.954 40.800 -0.020 0.000 1.045 72 D HN 0.355 nan 8.370 nan 0.000 0.495 73 V N 2.905 122.670 119.914 -0.249 0.000 2.594 73 V HA -0.173 3.947 4.120 0.000 0.000 0.253 73 V C 2.204 177.936 176.094 -0.604 0.000 1.069 73 V CA 0.915 62.889 62.300 -0.543 0.000 1.082 73 V CB -0.692 30.666 31.823 -0.776 0.000 0.680 73 V HN 0.511 nan 8.190 nan 0.000 0.469 74 I N 0.675 121.027 120.570 -0.362 0.000 2.193 74 I HA -0.160 4.010 4.170 0.000 0.000 0.240 74 I C 2.855 178.913 176.117 -0.097 0.000 1.084 74 I CA 1.689 62.911 61.300 -0.130 0.000 1.365 74 I CB -0.560 37.466 38.000 0.043 0.000 1.064 74 I HN 0.250 nan 8.210 nan 0.000 0.410 75 S N 0.885 116.540 115.700 -0.076 0.000 2.365 75 S HA -0.208 4.262 4.470 0.000 0.000 0.221 75 S C 2.156 176.654 174.600 -0.169 0.000 1.037 75 S CA 1.766 59.940 58.200 -0.043 0.000 1.060 75 S CB -1.020 62.157 63.200 -0.038 0.000 0.974 75 S HN 0.650 nan 8.310 nan 0.000 0.427 76 G N 1.194 109.746 108.800 -0.412 0.000 2.529 76 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 76 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 76 G C 1.416 175.903 174.900 -0.689 0.000 1.177 76 G CA 1.156 45.817 45.100 -0.731 0.000 0.773 76 G HN 0.504 nan 8.290 nan 0.000 0.573 77 I N -0.896 119.215 120.570 -0.765 0.000 2.394 77 I HA -0.096 4.074 4.170 0.000 0.000 0.251 77 I C 2.462 178.409 176.117 -0.285 0.000 1.136 77 I CA 1.028 62.089 61.300 -0.398 0.000 1.425 77 I CB 0.059 37.856 38.000 -0.339 0.000 1.079 77 I HN 0.335 nan 8.210 nan 0.000 0.425 78 Y N 0.413 120.659 120.300 -0.090 0.000 2.206 78 Y HA -0.198 4.352 4.550 0.000 0.000 0.292 78 Y C 2.803 178.691 175.900 -0.020 0.000 1.123 78 Y CA 1.258 59.335 58.100 -0.039 0.000 1.142 78 Y CB -1.070 37.367 38.460 -0.038 0.000 1.006 78 Y HN 0.281 nan 8.280 nan 0.000 0.518 79 D N -0.559 119.899 120.400 0.097 0.000 2.265 79 D HA -0.158 4.482 4.640 0.000 0.000 0.208 79 D C 1.943 178.290 176.300 0.077 0.000 0.977 79 D CA 1.865 55.907 54.000 0.070 0.000 0.871 79 D CB -1.007 39.816 40.800 0.038 0.000 0.925 79 D HN 0.356 nan 8.370 nan 0.000 0.485 80 T N 0.459 115.063 114.554 0.084 0.000 2.770 80 T HA -0.097 4.253 4.350 0.000 0.000 0.263 80 T C 1.778 176.533 174.700 0.091 0.000 1.039 80 T CA 1.183 63.352 62.100 0.114 0.000 1.142 80 T CB -0.169 68.804 68.868 0.175 0.000 0.868 80 T HN 0.395 nan 8.240 nan 0.000 0.435 81 Q N 2.460 122.314 119.800 0.090 0.000 2.576 81 Q HA -0.032 4.308 4.340 0.000 0.000 0.219 81 Q C 1.535 177.578 176.000 0.073 0.000 0.976 81 Q CA 0.391 56.244 55.803 0.083 0.000 0.977 81 Q CB -1.059 27.738 28.738 0.100 0.000 0.988 81 Q HN 0.756 nan 8.270 nan 0.000 0.555 82 N N -0.193 118.548 118.700 0.068 0.000 2.443 82 N HA -0.166 4.574 4.740 0.000 0.000 0.184 82 N C 1.025 176.562 175.510 0.045 0.000 1.037 82 N CA 1.059 54.142 53.050 0.054 0.000 0.896 82 N CB -0.512 38.006 38.487 0.052 0.000 0.959 82 N HN 0.242 nan 8.380 nan 0.000 0.442 92 D N -1.228 119.182 120.400 0.017 0.000 2.516 92 D HA 0.215 4.855 4.640 0.000 0.000 0.241 92 D C 0.875 177.183 176.300 0.014 0.000 1.246 92 D CA 0.851 54.861 54.000 0.017 0.000 0.808 92 D CB 0.254 41.063 40.800 0.014 0.000 1.147 92 D HN 0.371 nan 8.370 nan 0.000 0.527 93 D N 0.159 120.566 120.400 0.011 0.000 2.277 93 D HA 0.123 4.763 4.640 0.000 0.000 0.208 93 D C 2.486 178.794 176.300 0.013 0.000 0.962 93 D CA 1.161 55.164 54.000 0.005 0.000 0.865 93 D CB 0.234 41.034 40.800 0.000 0.000 0.939 93 D HN 0.480 nan 8.370 nan 0.000 0.510 94 A N 1.233 124.069 122.820 0.027 0.000 1.933 94 A HA -0.050 4.270 4.320 0.000 0.000 0.218 94 A C 2.326 179.938 177.584 0.047 0.000 1.175 94 A CA 1.887 53.950 52.037 0.044 0.000 0.628 94 A CB -0.555 18.475 19.000 0.049 0.000 0.814 94 A HN 0.219 nan 8.150 nan 0.000 0.444 95 A N -0.455 122.388 122.820 0.038 0.000 1.933 95 A HA 0.141 4.461 4.320 0.000 0.000 0.218 95 A C 2.440 180.047 177.584 0.037 0.000 1.175 95 A CA 2.428 54.490 52.037 0.042 0.000 0.628 95 A CB -1.168 17.855 19.000 0.037 0.000 0.814 95 A HN 1.242 nan 8.150 nan 0.000 0.444 96 L N -0.718 120.518 121.223 0.020 0.000 2.056 96 L HA 0.077 4.417 4.340 0.000 0.000 0.207 96 L C 2.595 179.465 176.870 -0.001 0.000 1.078 96 L CA 2.268 57.111 54.840 0.005 0.000 0.749 96 L CB -1.489 40.561 42.059 -0.016 0.000 0.901 96 L HN 0.523 nan 8.230 nan 0.000 0.433 97 I N -0.058 120.507 120.570 -0.008 0.000 2.252 97 I HA -0.250 3.920 4.170 0.000 0.000 0.245 97 I C 2.845 178.961 176.117 -0.002 0.000 1.102 97 I CA 1.932 63.204 61.300 -0.047 0.000 1.385 97 I CB -0.350 37.635 38.000 -0.025 0.000 1.064 97 I HN 0.572 nan 8.210 nan 0.000 0.414 98 T N 0.007 114.621 114.554 0.101 0.000 2.867 98 T HA -0.086 4.264 4.350 0.000 0.000 0.268 98 T C 1.901 176.678 174.700 0.128 0.000 1.057 98 T CA 1.254 63.457 62.100 0.172 0.000 1.136 98 T CB -0.124 68.818 68.868 0.124 0.000 0.874 98 T HN 0.347 nan 8.240 nan 0.000 0.466 99 A N 0.240 123.110 122.820 0.084 0.000 1.930 99 A HA -0.019 4.301 4.320 0.000 0.000 0.217 99 A C 2.158 179.788 177.584 0.076 0.000 1.175 99 A CA 1.952 54.034 52.037 0.075 0.000 0.627 99 A CB -1.135 17.901 19.000 0.061 0.000 0.815 99 A HN 0.768 nan 8.150 nan 0.000 0.443 100 H N -1.719 117.314 119.070 -0.061 0.000 2.357 100 H HA -0.119 4.437 4.556 0.000 0.000 0.301 100 H C 1.716 176.991 175.328 -0.089 0.000 1.082 100 H CA 2.009 57.985 56.048 -0.120 0.000 1.342 100 H CB -0.439 29.183 29.762 -0.233 0.000 1.389 100 H HN 0.602 nan 8.280 nan 0.000 0.511 101 Y N -0.144 120.111 120.300 -0.075 0.000 2.128 101 Y HA -0.299 4.251 4.550 0.000 0.000 0.284 101 Y C 2.769 178.658 175.900 -0.019 0.000 1.154 101 Y CA 1.131 59.160 58.100 -0.119 0.000 1.149 101 Y CB -0.100 38.334 38.460 -0.043 0.000 0.976 101 Y HN 0.282 nan 8.280 nan 0.000 0.505 102 Q N 0.223 120.144 119.800 0.203 0.000 2.234 102 Q HA -0.151 4.190 4.340 0.000 0.000 0.206 102 Q C 2.140 178.212 176.000 0.120 0.000 0.980 102 Q CA 1.783 57.685 55.803 0.166 0.000 0.869 102 Q CB -0.331 28.448 28.738 0.068 0.000 0.912 102 Q HN 0.279 nan 8.270 nan 0.000 0.436 103 S N -0.477 115.240 115.700 0.028 0.000 2.402 103 S HA -0.033 4.437 4.470 0.000 0.000 0.229 103 S C 1.665 176.255 174.600 -0.016 0.000 1.021 103 S CA 0.780 58.976 58.200 -0.006 0.000 0.974 103 S CB -0.082 63.087 63.200 -0.053 0.000 0.800 103 S HN 0.383 nan 8.310 nan 0.000 0.484 104 R N -0.399 120.044 120.500 -0.095 0.000 2.235 104 R HA 0.108 4.448 4.340 0.000 0.000 0.213 104 R C 1.450 177.763 176.300 0.021 0.000 1.059 104 R CA 0.656 56.707 56.100 -0.083 0.000 0.997 104 R CB -0.215 29.978 30.300 -0.179 0.000 0.884 104 R HN 0.383 nan 8.270 nan 0.000 0.462 105 F N -0.145 119.793 119.950 -0.019 0.000 2.259 105 F HA -0.124 4.404 4.527 0.000 0.000 0.298 105 F C 2.420 178.483 175.800 0.439 0.000 1.088 105 F CA 1.195 59.206 58.000 0.018 0.000 1.358 105 F CB -0.074 38.707 39.000 -0.365 0.000 1.040 105 F HN -0.059 nan 8.300 nan 0.000 0.505 106 T N -0.930 113.864 114.554 0.400 0.000 2.737 106 T HA -0.163 4.187 4.350 0.000 0.000 0.265 106 T C 1.988 176.836 174.700 0.247 0.000 1.038 106 T CA 1.936 64.230 62.100 0.323 0.000 1.144 106 T CB -0.569 68.393 68.868 0.157 0.000 0.866 106 T HN 0.220 nan 8.240 nan 0.000 0.434 107 T N 2.823 117.455 114.554 0.129 0.000 2.594 107 T HA -0.156 4.194 4.350 0.000 0.000 0.266 107 T C -0.522 174.082 174.700 -0.161 0.000 1.070 107 T CA 1.981 64.080 62.100 -0.001 0.000 1.166 107 T CB -1.561 67.319 68.868 0.019 0.000 0.862 107 T HN 0.421 nan 8.240 nan 0.000 0.436 108 P HA -0.061 nan 4.420 nan 0.000 0.222 108 P C 0.814 177.936 177.300 -0.296 0.000 1.147 108 P CA 1.187 63.931 63.100 -0.593 0.000 0.790 108 P CB -0.228 30.900 31.700 -0.955 0.000 0.780 109 Y N 0.176 120.464 120.300 -0.021 0.000 2.200 109 Y HA -0.081 4.469 4.550 0.000 0.000 0.290 109 Y C 2.647 178.535 175.900 -0.021 0.000 1.137 109 Y CA 1.012 59.114 58.100 0.004 0.000 1.163 109 Y CB -1.388 37.089 38.460 0.030 0.000 0.988 109 Y HN -0.206 nan 8.280 nan 0.000 0.518 110 L N -0.720 120.569 121.223 0.109 0.000 2.131 110 L HA -0.230 4.110 4.340 0.000 0.000 0.210 110 L C 2.072 178.983 176.870 0.070 0.000 1.092 110 L CA 1.358 56.231 54.840 0.056 0.000 0.759 110 L CB -0.598 41.476 42.059 0.026 0.000 0.903 110 L HN 0.264 nan 8.230 nan 0.000 0.435 111 I N -0.895 119.693 120.570 0.029 0.000 2.353 111 I HA -0.256 3.914 4.170 0.000 0.000 0.248 111 I C 2.372 178.520 176.117 0.052 0.000 1.119 111 I CA 0.687 62.010 61.300 0.039 0.000 1.417 111 I CB -0.076 37.933 38.000 0.016 0.000 1.078 111 I HN 0.160 nan 8.210 nan 0.000 0.421 112 L N 0.338 121.563 121.223 0.004 0.000 2.005 112 L HA -0.273 4.067 4.340 0.000 0.000 0.207 112 L C 2.680 179.538 176.870 -0.020 0.000 1.072 112 L CA 2.008 56.803 54.840 -0.075 0.000 0.744 112 L CB -1.031 40.864 42.059 -0.273 0.000 0.895 112 L HN 0.302 nan 8.230 nan 0.000 0.433 113 H N -0.356 118.669 119.070 -0.074 0.000 2.319 113 H HA -0.206 4.350 4.556 0.000 0.000 0.297 113 H C 1.707 176.992 175.328 -0.072 0.000 1.097 113 H CA 2.242 58.238 56.048 -0.086 0.000 1.285 113 H CB -0.029 29.677 29.762 -0.093 0.000 1.368 113 H HN 0.418 nan 8.280 nan 0.000 0.495 114 D N -0.702 119.764 120.400 0.111 0.000 2.144 114 D HA -0.148 4.492 4.640 0.000 0.000 0.199 114 D C 2.206 178.503 176.300 -0.005 0.000 0.984 114 D CA 1.245 55.279 54.000 0.056 0.000 0.834 114 D CB -0.474 40.379 40.800 0.088 0.000 0.955 114 D HN 0.532 nan 8.370 nan 0.000 0.465 115 H N 0.086 119.101 119.070 -0.092 0.000 2.357 115 H HA -0.054 4.502 4.556 0.000 0.000 0.301 115 H C 1.858 177.070 175.328 -0.193 0.000 1.082 115 H CA 2.419 58.406 56.048 -0.102 0.000 1.342 115 H CB -0.046 29.685 29.762 -0.052 0.000 1.389 115 H HN 0.158 nan 8.280 nan 0.000 0.511 116 T N -2.613 111.717 114.554 -0.374 0.000 3.037 116 T HA -0.056 4.294 4.350 0.000 0.000 0.251 116 T C 2.286 176.392 174.700 -0.990 0.000 1.079 116 T CA 0.433 62.156 62.100 -0.629 0.000 1.067 116 T CB -1.185 67.429 68.868 -0.423 0.000 0.948 116 T HN 0.595 nan 8.240 nan 0.000 0.496 117 C N 2.791 121.646 119.300 -0.742 0.000 2.422 117 C HA 0.006 4.466 4.460 0.000 0.000 0.286 117 C C 2.630 177.313 174.990 -0.511 0.000 1.412 117 C CA 0.688 59.292 59.018 -0.691 0.000 1.786 117 C CB -2.052 25.323 27.740 -0.608 0.000 1.835 117 C HN 0.665 nan 8.230 nan 0.000 0.533 118 T N -0.821 113.470 114.554 -0.440 0.000 3.081 118 T HA 0.219 4.569 4.350 0.000 0.000 0.255 118 T C 1.460 175.983 174.700 -0.295 0.000 1.113 118 T CA 0.604 62.535 62.100 -0.281 0.000 1.082 118 T CB -0.367 68.389 68.868 -0.186 0.000 0.939 118 T HN 0.599 nan 8.240 nan 0.000 0.506 119 L N -0.779 120.151 121.223 -0.489 0.000 2.307 119 L HA 0.310 4.650 4.340 0.000 0.000 0.211 119 L C 2.070 178.845 176.870 -0.159 0.000 1.099 119 L CA 0.612 55.246 54.840 -0.343 0.000 0.816 119 L CB -0.598 41.231 42.059 -0.383 0.000 0.952 119 L HN 0.198 nan 8.230 nan 0.000 0.455 120 F N 0.813 120.736 119.950 -0.045 0.000 2.293 120 F HA 0.081 4.608 4.527 0.000 0.000 0.300 120 F C 1.703 177.502 175.800 -0.002 0.000 1.086 120 F CA 0.336 58.327 58.000 -0.015 0.000 1.375 120 F CB -0.370 38.625 39.000 -0.010 0.000 1.045 120 F HN 0.230 nan 8.300 nan 0.000 0.516 121 G N -0.069 108.814 108.800 0.138 0.000 2.660 121 G HA2 0.139 4.100 3.960 0.000 0.000 0.247 121 G HA3 0.139 4.100 3.960 0.000 0.000 0.247 121 G C -0.148 174.806 174.900 0.090 0.000 1.328 121 G CA -0.853 44.299 45.100 0.087 0.000 0.884 121 G HN 0.571 nan 8.290 nan 0.000 0.531 122 G N -1.928 106.911 108.800 0.065 0.000 3.122 122 G HA2 0.631 4.591 3.960 0.000 0.000 0.180 122 G HA3 0.631 4.591 3.960 0.000 0.000 0.180 122 G C 0.439 175.372 174.900 0.055 0.000 1.279 122 G CA 0.554 45.689 45.100 0.058 0.000 0.987 122 G HN 1.804 nan 8.290 nan 0.000 0.589 123 N N -0.409 118.318 118.700 0.045 0.000 2.725 123 N HA -0.186 4.554 4.740 0.000 0.000 0.251 123 N C 0.334 175.871 175.510 0.045 0.000 1.031 123 N CA 0.999 54.074 53.050 0.041 0.000 0.720 123 N CB -1.200 37.309 38.487 0.037 0.000 0.930 123 N HN 0.613 nan 8.380 nan 0.000 0.543 124 S N 0.027 115.757 115.700 0.049 0.000 2.525 124 S HA 0.424 4.894 4.470 0.000 0.000 0.285 124 S C 0.012 174.641 174.600 0.048 0.000 1.283 124 S CA -0.113 58.119 58.200 0.053 0.000 1.072 124 S CB 0.479 63.713 63.200 0.057 0.000 0.867 124 S HN 0.361 nan 8.310 nan 0.000 0.492 125 L N 3.560 124.813 121.223 0.049 0.000 2.622 125 L HA 0.425 4.765 4.340 0.000 0.000 0.258 125 L C -1.099 175.803 176.870 0.054 0.000 0.996 125 L CA -0.399 54.470 54.840 0.048 0.000 0.858 125 L CB 2.164 44.247 42.059 0.040 0.000 1.449 125 L HN 0.680 nan 8.230 nan 0.000 0.411 126 Q N 2.316 122.150 119.800 0.058 0.000 2.349 126 Q HA 0.369 4.709 4.340 0.000 0.000 0.254 126 Q C 0.201 176.232 176.000 0.051 0.000 0.980 126 Q CA -0.055 55.787 55.803 0.066 0.000 0.924 126 Q CB 1.240 30.028 28.738 0.083 0.000 1.209 126 Q HN 0.416 nan 8.270 nan 0.000 0.445 127 R N 1.250 121.776 120.500 0.045 0.000 2.282 127 R HA 0.113 4.453 4.340 0.000 0.000 0.195 127 R C 1.009 177.327 176.300 0.030 0.000 0.909 127 R CA 0.564 56.685 56.100 0.035 0.000 1.039 127 R CB 0.583 30.902 30.300 0.032 0.000 1.015 127 R HN 0.973 nan 8.270 nan 0.000 0.513 128 G N 1.476 110.294 108.800 0.030 0.000 2.184 128 G HA2 -0.326 3.634 3.960 0.000 0.000 0.264 128 G HA3 -0.326 3.634 3.960 0.000 0.000 0.264 128 G C 0.322 175.232 174.900 0.016 0.000 0.975 128 G CA 0.924 46.038 45.100 0.024 0.000 0.642 128 G HN 0.468 nan 8.290 nan 0.000 0.536 129 T N -3.690 110.874 114.554 0.016 0.000 2.945 129 T HA 0.804 5.155 4.350 0.000 0.000 0.286 129 T C 0.088 174.793 174.700 0.008 0.000 1.025 129 T CA 0.841 62.948 62.100 0.012 0.000 1.039 129 T CB 1.729 70.607 68.868 0.016 0.000 1.068 129 T HN 1.525 nan 8.240 nan 0.000 0.497 130 Q N 1.857 121.661 119.800 0.006 0.000 2.297 130 Q HA 0.497 4.837 4.340 0.000 0.000 0.267 130 Q C -2.090 173.916 176.000 0.010 0.000 1.006 130 Q CA -1.645 54.160 55.803 0.004 0.000 0.896 130 Q CB -1.049 27.691 28.738 0.003 0.000 1.186 130 Q HN 0.807 nan 8.270 nan 0.000 0.392 131 P HA 0.204 nan 4.420 nan 0.000 0.275 131 P C -0.471 176.842 177.300 0.021 0.000 1.266 131 P CA -0.427 62.682 63.100 0.016 0.000 0.793 131 P CB 0.944 32.651 31.700 0.012 0.000 1.074 132 D N -0.871 119.547 120.400 0.030 0.000 2.183 132 D HA -0.000 4.640 4.640 0.000 0.000 0.203 132 D C 0.517 176.835 176.300 0.031 0.000 0.969 132 D CA 1.401 55.423 54.000 0.038 0.000 0.842 132 D CB 0.141 40.974 40.800 0.054 0.000 0.957 132 D HN 0.132 nan 8.370 nan 0.000 0.484 133 L N -0.116 121.123 121.223 0.027 0.000 2.482 133 L HA 0.316 4.656 4.340 0.000 0.000 0.263 133 L C -1.391 175.487 176.870 0.013 0.000 0.957 133 L CA -0.249 54.603 54.840 0.020 0.000 0.836 133 L CB 2.524 44.599 42.059 0.026 0.000 1.324 133 L HN -0.315 nan 8.230 nan 0.000 0.406 134 T N 5.540 120.096 114.554 0.004 0.000 2.792 134 T HA 0.646 4.996 4.350 0.000 0.000 0.280 134 T C -0.578 174.115 174.700 -0.011 0.000 0.990 134 T CA -0.337 61.759 62.100 -0.008 0.000 0.960 134 T CB 1.036 69.898 68.868 -0.011 0.000 0.939 134 T HN 0.472 nan 8.240 nan 0.000 0.439 135 L N 2.985 124.190 121.223 -0.031 0.000 2.305 135 L HA 0.677 5.017 4.340 0.000 0.000 0.284 135 L C -0.588 176.217 176.870 -0.108 0.000 1.013 135 L CA -1.167 53.630 54.840 -0.072 0.000 0.819 135 L CB 1.574 43.593 42.059 -0.067 0.000 1.227 135 L HN 0.342 nan 8.230 nan 0.000 0.417 136 V N 3.631 123.484 119.914 -0.102 0.000 2.357 136 V HA 0.400 4.520 4.120 0.000 0.000 0.284 136 V C -0.467 175.558 176.094 -0.115 0.000 1.018 136 V CA -0.327 61.973 62.300 0.001 0.000 0.841 136 V CB 1.254 33.179 31.823 0.169 0.000 0.991 136 V HN 0.380 nan 8.190 nan 0.000 0.437 137 F N 2.283 122.213 119.950 -0.033 0.000 2.415 137 F HA 0.366 4.893 4.527 0.000 0.000 0.348 137 F C 0.732 176.622 175.800 0.150 0.000 1.119 137 F CA -0.642 57.360 58.000 0.004 0.000 1.069 137 F CB 1.178 40.115 39.000 -0.104 0.000 1.124 137 F HN 0.400 nan 8.300 nan 0.000 0.472 138 D N 5.818 126.390 120.400 0.287 0.000 2.367 138 D HA 0.174 4.814 4.640 0.000 0.000 0.255 138 D C 0.139 176.721 176.300 0.471 0.000 1.300 138 D CA 0.506 54.720 54.000 0.357 0.000 0.959 138 D CB -0.048 40.922 40.800 0.284 0.000 1.064 138 D HN 0.586 nan 8.370 nan 0.000 0.509 139 R N 1.261 122.017 120.500 0.425 0.000 1.344 139 R HA -0.177 4.163 4.340 0.000 0.000 0.438 139 R C -0.366 176.133 176.300 0.332 0.000 1.330 139 R CA -0.019 56.283 56.100 0.337 0.000 1.237 139 R CB -0.584 29.863 30.300 0.244 0.000 3.375 139 R HN 0.636 nan 8.270 nan 0.000 0.516 140 H N 2.976 122.062 119.070 0.026 0.000 2.499 140 H HA 0.229 4.785 4.556 0.000 0.000 0.340 140 H C -1.790 173.337 175.328 -0.333 0.000 1.148 140 H CA -2.162 53.747 56.048 -0.232 0.000 1.215 140 H CB 2.002 31.531 29.762 -0.390 0.000 1.529 140 H HN 0.216 nan 8.280 nan 0.000 0.510 141 P HA -0.201 nan 4.420 nan 0.000 0.219 141 P C 1.547 178.704 177.300 -0.238 0.000 1.145 141 P CA 0.756 63.555 63.100 -0.502 0.000 0.813 141 P CB 0.187 31.573 31.700 -0.524 0.000 0.771 142 V N -0.588 119.319 119.914 -0.012 0.000 2.568 142 V HA -0.270 3.850 4.120 0.000 0.000 0.253 142 V C 2.082 178.180 176.094 0.007 0.000 1.072 142 V CA 2.153 64.491 62.300 0.064 0.000 1.084 142 V CB -1.190 30.712 31.823 0.131 0.000 0.676 142 V HN 0.100 nan 8.190 nan 0.000 0.469 143 A N 0.185 123.029 122.820 0.040 0.000 1.855 143 A HA -0.168 4.152 4.320 0.000 0.000 0.215 143 A C 2.500 180.211 177.584 0.212 0.000 1.191 143 A CA 2.288 54.434 52.037 0.181 0.000 0.613 143 A CB -0.860 18.296 19.000 0.260 0.000 0.829 143 A HN 0.816 nan 8.150 nan 0.000 0.442 144 S N -1.069 114.661 115.700 0.050 0.000 2.528 144 S HA -0.036 4.435 4.470 0.000 0.000 0.219 144 S C 1.540 176.165 174.600 0.043 0.000 0.985 144 S CA 1.360 59.581 58.200 0.035 0.000 0.914 144 S CB -0.573 62.683 63.200 0.093 0.000 0.776 144 S HN 0.715 nan 8.310 nan 0.000 0.526 145 T N -1.741 112.821 114.554 0.013 0.000 3.023 145 T HA 0.326 4.676 4.350 0.000 0.000 0.249 145 T C 1.404 176.102 174.700 -0.003 0.000 1.050 145 T CA 0.569 62.670 62.100 0.003 0.000 1.088 145 T CB 0.075 68.927 68.868 -0.027 0.000 0.946 145 T HN 0.238 nan 8.240 nan 0.000 0.480 146 V N 0.065 119.966 119.914 -0.021 0.000 3.054 146 V HA 0.123 4.243 4.120 0.000 0.000 0.227 146 V C 2.755 178.788 176.094 -0.102 0.000 1.252 146 V CA 0.243 62.513 62.300 -0.050 0.000 1.279 146 V CB -0.484 31.294 31.823 -0.074 0.000 1.118 146 V HN 0.483 nan 8.190 nan 0.000 0.504 147 C N 0.463 119.657 119.300 -0.175 0.000 2.442 147 C HA -0.092 4.368 4.460 0.000 0.000 0.279 147 C C 2.565 177.403 174.990 -0.254 0.000 1.237 147 C CA 1.118 59.921 59.018 -0.359 0.000 1.722 147 C CB -1.109 26.184 27.740 -0.746 0.000 2.056 147 C HN 0.525 nan 8.230 nan 0.000 0.469 148 F N 1.411 121.274 119.950 -0.146 0.000 2.102 148 F HA -0.051 4.476 4.527 0.000 0.000 0.298 148 F C -0.074 175.666 175.800 -0.099 0.000 1.105 148 F CA 1.982 59.909 58.000 -0.122 0.000 1.239 148 F CB -2.021 36.863 39.000 -0.192 0.000 0.991 148 F HN 0.170 nan 8.300 nan 0.000 0.474 149 P HA -0.207 nan 4.420 nan 0.000 0.215 149 P C 1.493 178.818 177.300 0.040 0.000 1.157 149 P CA 2.281 65.416 63.100 0.059 0.000 0.868 149 P CB -0.245 31.478 31.700 0.039 0.000 0.788 150 A N 0.028 122.838 122.820 -0.018 0.000 1.917 150 A HA -0.203 4.117 4.320 0.000 0.000 0.219 150 A C 2.344 179.912 177.584 -0.027 0.000 1.182 150 A CA 2.443 54.461 52.037 -0.033 0.000 0.633 150 A CB -1.693 17.227 19.000 -0.133 0.000 0.819 150 A HN 0.205 nan 8.150 nan 0.000 0.448 151 A N -0.280 122.484 122.820 -0.093 0.000 1.883 151 A HA -0.193 4.127 4.320 0.000 0.000 0.217 151 A C 2.279 179.843 177.584 -0.034 0.000 1.186 151 A CA 1.579 53.557 52.037 -0.099 0.000 0.624 151 A CB -0.508 18.397 19.000 -0.158 0.000 0.822 151 A HN 0.539 nan 8.150 nan 0.000 0.444 152 R N -1.968 118.543 120.500 0.018 0.000 2.075 152 R HA -0.148 4.192 4.340 0.000 0.000 0.232 152 R C 2.199 178.523 176.300 0.041 0.000 1.126 152 R CA 1.658 57.781 56.100 0.040 0.000 0.963 152 R CB -0.716 29.623 30.300 0.065 0.000 0.858 152 R HN 0.762 nan 8.270 nan 0.000 0.435 153 Y N 1.779 122.051 120.300 -0.046 0.000 2.224 153 Y HA -0.148 4.402 4.550 0.000 0.000 0.289 153 Y C 1.995 177.855 175.900 -0.067 0.000 1.146 153 Y CA 1.222 59.288 58.100 -0.057 0.000 1.182 153 Y CB -0.409 38.004 38.460 -0.079 0.000 0.983 153 Y HN -0.078 nan 8.280 nan 0.000 0.524 154 L N -0.240 120.802 121.223 -0.301 0.000 2.046 154 L HA -0.231 4.109 4.340 0.000 0.000 0.208 154 L C 2.270 178.957 176.870 -0.304 0.000 1.077 154 L CA 1.343 55.947 54.840 -0.393 0.000 0.747 154 L CB -0.479 41.462 42.059 -0.196 0.000 0.896 154 L HN 0.295 nan 8.230 nan 0.000 0.432 155 L N -0.736 120.384 121.223 -0.172 0.000 2.478 155 L HA 0.050 4.390 4.340 0.000 0.000 0.223 155 L C 1.450 178.255 176.870 -0.108 0.000 1.140 155 L CA 0.705 55.484 54.840 -0.101 0.000 0.842 155 L CB -0.398 41.642 42.059 -0.033 0.000 0.953 155 L HN 0.479 nan 8.230 nan 0.000 0.452 156 G N -0.417 108.289 108.800 -0.157 0.000 2.132 156 G HA2 -0.245 3.716 3.960 0.000 0.000 0.234 156 G HA3 -0.245 3.716 3.960 0.000 0.000 0.234 156 G C 0.260 175.143 174.900 -0.027 0.000 0.989 156 G CA 0.295 45.330 45.100 -0.109 0.000 0.676 156 G HN 0.333 nan 8.290 nan 0.000 0.522 157 D N -0.299 120.099 120.400 -0.003 0.000 2.339 157 D HA 0.369 5.010 4.640 0.000 0.000 0.217 157 D C 1.092 177.423 176.300 0.052 0.000 1.050 157 D CA 0.673 54.691 54.000 0.030 0.000 0.856 157 D CB 0.243 41.066 40.800 0.038 0.000 0.922 157 D HN 0.553 nan 8.370 nan 0.000 0.518 158 M N -0.421 119.220 119.600 0.069 0.000 2.534 158 M HA 0.172 4.653 4.480 0.000 0.000 0.280 158 M C -1.035 175.366 176.300 0.168 0.000 1.217 158 M CA -0.545 54.818 55.300 0.104 0.000 0.893 158 M CB 2.179 34.849 32.600 0.116 0.000 1.730 158 M HN -0.110 nan 8.290 nan 0.000 0.483 159 S N 1.217 117.001 115.700 0.139 0.000 2.730 159 S HA 0.427 4.897 4.470 0.000 0.000 0.284 159 S C 0.624 175.269 174.600 0.075 0.000 1.153 159 S CA -0.671 57.625 58.200 0.159 0.000 0.995 159 S CB 1.301 64.548 63.200 0.078 0.000 1.058 159 S HN 0.822 nan 8.310 nan 0.000 0.552 160 M N 0.995 120.579 119.600 -0.026 0.000 2.086 160 M HA -0.042 4.439 4.480 0.000 0.000 0.261 160 M C 2.301 178.518 176.300 -0.138 0.000 1.067 160 M CA 1.074 56.211 55.300 -0.272 0.000 1.116 160 M CB -1.824 30.644 32.600 -0.219 0.000 1.348 160 M HN 0.964 nan 8.290 nan 0.000 0.407 161 C N 0.157 119.424 119.300 -0.055 0.000 2.403 161 C HA -0.131 4.329 4.460 0.000 0.000 0.277 161 C C 2.766 177.750 174.990 -0.010 0.000 1.248 161 C CA 1.614 60.619 59.018 -0.021 0.000 1.762 161 C CB -1.564 26.177 27.740 0.002 0.000 2.014 161 C HN 0.629 nan 8.230 nan 0.000 0.486 162 A N -0.117 122.701 122.820 -0.003 0.000 1.898 162 A HA -0.028 4.292 4.320 0.000 0.000 0.216 162 A C 2.065 179.649 177.584 0.000 0.000 1.181 162 A CA 1.654 53.698 52.037 0.012 0.000 0.620 162 A CB -0.799 18.221 19.000 0.033 0.000 0.819 162 A HN 0.632 nan 8.150 nan 0.000 0.442 163 L N -0.550 120.649 121.223 -0.039 0.000 2.017 163 L HA -0.158 4.182 4.340 0.000 0.000 0.208 163 L C 2.365 179.232 176.870 -0.005 0.000 1.073 163 L CA 2.074 56.882 54.840 -0.053 0.000 0.745 163 L CB -0.505 41.429 42.059 -0.210 0.000 0.894 163 L HN 0.332 nan 8.230 nan 0.000 0.432 164 M N -0.725 118.871 119.600 -0.007 0.000 2.159 164 M HA -0.170 4.311 4.480 0.000 0.000 0.263 164 M C 2.380 178.686 176.300 0.009 0.000 1.063 164 M CA 1.681 56.988 55.300 0.011 0.000 1.110 164 M CB -1.417 31.185 32.600 0.002 0.000 1.374 164 M HN 0.487 nan 8.290 nan 0.000 0.411 165 A N 0.584 123.411 122.820 0.011 0.000 1.883 165 A HA -0.178 4.142 4.320 0.000 0.000 0.217 165 A C 2.187 179.780 177.584 0.015 0.000 1.186 165 A CA 1.563 53.609 52.037 0.016 0.000 0.624 165 A CB -0.438 18.574 19.000 0.021 0.000 0.822 165 A HN 0.362 nan 8.150 nan 0.000 0.444 166 M N -0.380 119.230 119.600 0.017 0.000 2.067 166 M HA -0.109 4.372 4.480 0.000 0.000 0.260 166 M C 2.239 178.542 176.300 0.006 0.000 1.069 166 M CA 1.421 56.731 55.300 0.017 0.000 1.117 166 M CB -1.627 30.987 32.600 0.024 0.000 1.334 166 M HN 0.218 nan 8.290 nan 0.000 0.407 167 V N 0.703 120.622 119.914 0.008 0.000 2.469 167 V HA -0.221 3.899 4.120 0.000 0.000 0.251 167 V C 2.690 178.768 176.094 -0.028 0.000 1.064 167 V CA 1.700 63.997 62.300 -0.006 0.000 1.066 167 V CB -1.485 30.344 31.823 0.011 0.000 0.667 167 V HN 0.516 nan 8.190 nan 0.000 0.461 168 A N 0.567 123.374 122.820 -0.021 0.000 2.015 168 A HA -0.165 4.156 4.320 0.000 0.000 0.219 168 A C 2.323 179.893 177.584 -0.023 0.000 1.163 168 A CA 1.954 53.978 52.037 -0.022 0.000 0.646 168 A CB -0.697 18.299 19.000 -0.006 0.000 0.806 168 A HN 0.637 nan 8.150 nan 0.000 0.448 169 T N -2.527 112.015 114.554 -0.020 0.000 3.129 169 T HA 0.275 4.625 4.350 0.000 0.000 0.251 169 T C 0.454 175.121 174.700 -0.055 0.000 1.117 169 T CA -0.211 61.872 62.100 -0.027 0.000 1.034 169 T CB -0.600 68.262 68.868 -0.010 0.000 0.968 169 T HN 0.140 nan 8.240 nan 0.000 0.526 170 L N 4.140 125.327 121.223 -0.060 0.000 2.513 170 L HA 0.357 4.697 4.340 0.000 0.000 0.272 170 L C -2.354 174.444 176.870 -0.120 0.000 1.187 170 L CA -1.830 52.955 54.840 -0.091 0.000 0.895 170 L CB 0.252 42.274 42.059 -0.062 0.000 1.147 170 L HN 0.037 nan 8.230 nan 0.000 0.483 171 P HA 0.218 nan 4.420 nan 0.000 0.281 171 P C -1.155 176.050 177.300 -0.158 0.000 1.264 171 P CA -0.754 62.192 63.100 -0.256 0.000 0.824 171 P CB 0.649 31.989 31.700 -0.600 0.000 1.092 172 R N 1.339 121.811 120.500 -0.047 0.000 2.267 172 R HA 0.114 4.454 4.340 0.000 0.000 0.319 172 R C -0.016 176.368 176.300 0.140 0.000 1.067 172 R CA -0.269 55.854 56.100 0.037 0.000 0.936 172 R CB 0.095 30.421 30.300 0.043 0.000 1.006 172 R HN 0.427 nan 8.270 nan 0.000 0.452 173 E N 6.641 126.927 120.200 0.143 0.000 2.257 173 E HA 0.131 4.481 4.350 0.000 0.000 0.278 173 E C -2.071 174.622 176.600 0.156 0.000 1.049 173 E CA -1.771 54.758 56.400 0.215 0.000 0.876 173 E CB 0.762 30.554 29.700 0.153 0.000 1.035 173 E HN 0.315 nan 8.360 nan 0.000 0.419 174 P HA -0.028 nan 4.420 nan 0.000 0.273 174 P C -0.775 176.598 177.300 0.121 0.000 1.250 174 P CA -0.304 62.870 63.100 0.124 0.000 0.793 174 P CB 0.329 32.099 31.700 0.118 0.000 1.011 175 Q N -0.197 119.660 119.800 0.095 0.000 2.333 175 Q HA 0.264 4.604 4.340 0.000 0.000 0.299 175 Q C 0.628 176.686 176.000 0.098 0.000 1.067 175 Q CA 0.380 56.234 55.803 0.084 0.000 0.943 175 Q CB -0.432 28.346 28.738 0.067 0.000 1.233 175 Q HN 0.849 nan 8.270 nan 0.000 0.401 176 G N 1.578 110.426 108.800 0.080 0.000 2.284 176 G HA2 -0.187 3.773 3.960 0.000 0.000 0.201 176 G HA3 -0.187 3.773 3.960 0.000 0.000 0.201 176 G C 0.369 175.305 174.900 0.061 0.000 0.998 176 G CA -0.399 44.740 45.100 0.066 0.000 0.651 176 G HN 1.058 nan 8.290 nan 0.000 0.489 177 G N 0.357 109.212 108.800 0.092 0.000 2.441 177 G HA2 0.436 4.396 3.960 0.000 0.000 0.243 177 G HA3 0.436 4.396 3.960 0.000 0.000 0.243 177 G C -0.312 174.680 174.900 0.154 0.000 1.281 177 G CA 0.052 45.245 45.100 0.155 0.000 0.854 177 G HN 0.373 nan 8.290 nan 0.000 0.560 178 N N 0.966 119.799 118.700 0.221 0.000 2.461 178 N HA 0.237 4.977 4.740 0.000 0.000 0.284 178 N C -1.234 174.462 175.510 0.308 0.000 1.049 178 N CA -0.431 52.773 53.050 0.257 0.000 0.889 178 N CB 2.723 41.359 38.487 0.248 0.000 1.365 178 N HN 0.475 nan 8.380 nan 0.000 0.499 179 I N 1.997 122.714 120.570 0.245 0.000 2.336 179 I HA 0.313 4.483 4.170 0.000 0.000 0.292 179 I C -0.841 175.432 176.117 0.260 0.000 0.991 179 I CA -0.694 60.740 61.300 0.224 0.000 1.227 179 I CB 1.004 39.033 38.000 0.049 0.000 1.366 179 I HN 0.099 nan 8.210 nan 0.000 0.466 180 V N 8.250 128.306 119.914 0.237 0.000 2.328 180 V HA 0.261 4.381 4.120 0.000 0.000 0.278 180 V C -0.068 176.107 176.094 0.134 0.000 1.021 180 V CA -0.640 61.784 62.300 0.207 0.000 0.838 180 V CB 1.273 33.185 31.823 0.148 0.000 0.999 180 V HN 0.456 nan 8.190 nan 0.000 0.447 181 V N 5.211 125.192 119.914 0.111 0.000 2.408 181 V HA 0.271 4.391 4.120 0.000 0.000 0.267 181 V C 0.876 176.960 176.094 -0.016 0.000 1.047 181 V CA -0.282 62.030 62.300 0.019 0.000 0.937 181 V CB 1.442 33.285 31.823 0.033 0.000 0.999 181 V HN 1.013 nan 8.190 nan 0.000 0.472 182 T N 2.066 116.570 114.554 -0.083 0.000 2.910 182 T HA 0.635 4.985 4.350 0.000 0.000 0.293 182 T C 0.068 174.684 174.700 -0.139 0.000 1.015 182 T CA -0.336 61.716 62.100 -0.080 0.000 1.094 182 T CB 1.436 70.257 68.868 -0.079 0.000 0.968 182 T HN 0.839 nan 8.240 nan 0.000 0.521 183 T N -0.085 114.416 114.554 -0.088 0.000 2.883 183 T HA 0.748 5.098 4.350 0.000 0.000 0.296 183 T C -1.282 173.374 174.700 -0.073 0.000 1.117 183 T CA -1.008 61.043 62.100 -0.081 0.000 1.006 183 T CB 1.784 70.671 68.868 0.031 0.000 1.191 183 T HN 0.809 nan 8.240 nan 0.000 0.508 184 L N 2.058 123.247 121.223 -0.058 0.000 2.643 184 L HA 0.452 4.792 4.340 0.000 0.000 0.257 184 L C -0.924 175.962 176.870 0.026 0.000 0.922 184 L CA -0.486 54.325 54.840 -0.050 0.000 0.909 184 L CB 1.886 43.846 42.059 -0.166 0.000 1.424 184 L HN 1.106 nan 8.230 nan 0.000 0.422 185 N N 2.806 121.532 118.700 0.045 0.000 2.353 185 N HA 0.037 4.777 4.740 0.000 0.000 0.248 185 N C 0.905 176.467 175.510 0.086 0.000 1.240 185 N CA 0.386 53.476 53.050 0.066 0.000 0.862 185 N CB 0.722 39.238 38.487 0.048 0.000 1.086 185 N HN 0.474 nan 8.380 nan 0.000 0.453 186 V N 1.330 121.299 119.914 0.092 0.000 2.392 186 V HA -0.283 3.837 4.120 0.000 0.000 0.249 186 V C 2.688 178.827 176.094 0.074 0.000 1.059 186 V CA 2.910 65.266 62.300 0.093 0.000 1.051 186 V CB -1.403 30.454 31.823 0.056 0.000 0.658 186 V HN 0.893 nan 8.190 nan 0.000 0.455 187 E N -0.486 119.746 120.200 0.052 0.000 2.110 187 E HA -0.242 4.109 4.350 0.000 0.000 0.193 187 E C 1.986 178.612 176.600 0.045 0.000 0.988 187 E CA 2.103 58.525 56.400 0.037 0.000 0.804 187 E CB -1.084 28.632 29.700 0.027 0.000 0.745 187 E HN 0.919 nan 8.360 nan 0.000 0.458 188 E N -0.467 119.765 120.200 0.054 0.000 2.158 188 E HA -0.086 4.264 4.350 0.000 0.000 0.191 188 E C 1.825 178.476 176.600 0.084 0.000 0.982 188 E CA 1.037 57.466 56.400 0.049 0.000 0.823 188 E CB -0.819 28.897 29.700 0.027 0.000 0.766 188 E HN 0.902 nan 8.360 nan 0.000 0.468 189 H N -0.289 118.769 119.070 -0.021 0.000 2.293 189 H HA -0.042 4.514 4.556 0.000 0.000 0.300 189 H C 2.284 177.585 175.328 -0.044 0.000 1.082 189 H CA 1.544 57.568 56.048 -0.041 0.000 1.308 189 H CB -0.015 29.712 29.762 -0.058 0.000 1.375 189 H HN 0.402 nan 8.280 nan 0.000 0.495 190 I N 0.192 120.800 120.570 0.063 0.000 2.286 190 I HA -0.254 3.916 4.170 0.000 0.000 0.248 190 I C 2.807 178.934 176.117 0.016 0.000 1.115 190 I CA 0.960 62.249 61.300 -0.019 0.000 1.392 190 I CB -0.295 37.686 38.000 -0.031 0.000 1.065 190 I HN 0.243 nan 8.210 nan 0.000 0.418 191 R N 1.104 121.626 120.500 0.037 0.000 2.070 191 R HA -0.127 4.213 4.340 0.000 0.000 0.233 191 R C 2.518 178.841 176.300 0.039 0.000 1.137 191 R CA 1.533 57.652 56.100 0.031 0.000 0.945 191 R CB -0.149 30.168 30.300 0.028 0.000 0.845 191 R HN 0.233 nan 8.270 nan 0.000 0.430 192 R N 0.148 120.682 120.500 0.056 0.000 2.159 192 R HA -0.117 4.223 4.340 0.000 0.000 0.237 192 R C 2.305 178.648 176.300 0.072 0.000 1.131 192 R CA 1.154 57.291 56.100 0.061 0.000 0.982 192 R CB -0.187 30.149 30.300 0.061 0.000 0.868 192 R HN 0.260 nan 8.270 nan 0.000 0.453 193 L N -0.667 120.600 121.223 0.073 0.000 2.072 193 L HA -0.113 4.228 4.340 0.000 0.000 0.205 193 L C 2.440 179.332 176.870 0.036 0.000 1.079 193 L CA 1.238 56.111 54.840 0.054 0.000 0.752 193 L CB -0.122 41.933 42.059 -0.007 0.000 0.906 193 L HN 0.023 nan 8.230 nan 0.000 0.436 194 R N -0.325 120.187 120.500 0.021 0.000 2.073 194 R HA -0.035 4.305 4.340 0.000 0.000 0.229 194 R C 1.478 177.791 176.300 0.021 0.000 1.120 194 R CA 1.432 57.540 56.100 0.015 0.000 0.967 194 R CB -0.554 29.750 30.300 0.006 0.000 0.862 194 R HN 0.305 nan 8.270 nan 0.000 0.436 195 T N -0.070 114.500 114.554 0.027 0.000 4.029 195 T HA 0.104 4.454 4.350 0.000 0.000 0.226 195 T C 0.958 175.678 174.700 0.034 0.000 0.838 195 T CA 0.049 62.164 62.100 0.027 0.000 0.907 195 T CB -0.134 68.749 68.868 0.025 0.000 1.296 195 T HN 0.032 nan 8.240 nan 0.000 0.711 196 R N -1.043 119.479 120.500 0.036 0.000 3.730 196 R HA 0.418 4.758 4.340 0.000 0.000 0.089 196 R C 0.574 176.897 176.300 0.039 0.000 0.744 196 R CA 0.929 57.056 56.100 0.045 0.000 1.870 196 R CB -0.146 30.194 30.300 0.065 0.000 1.596 196 R HN 0.429 nan 8.270 nan 0.000 0.447 197 A N 2.268 125.108 122.820 0.033 0.000 2.951 197 A HA 0.628 4.948 4.320 0.000 0.000 0.239 197 A C -0.039 177.553 177.584 0.013 0.000 1.623 197 A CA -0.453 51.597 52.037 0.022 0.000 0.868 197 A CB 0.384 19.392 19.000 0.014 0.000 1.712 197 A HN 0.377 nan 8.150 nan 0.000 0.558 202 Q N 1.303 121.078 119.800 -0.041 0.000 2.375 202 Q HA 0.785 5.125 4.340 0.000 0.000 0.271 202 Q C -0.112 175.858 176.000 -0.051 0.000 1.074 202 Q CA -0.989 54.793 55.803 -0.035 0.000 0.808 202 Q CB 1.794 30.517 28.738 -0.024 0.000 1.327 202 Q HN 0.595 nan 8.270 nan 0.000 0.441 203 I N 1.300 121.847 120.570 -0.038 0.000 2.648 203 I HA 0.048 4.218 4.170 0.000 0.000 0.284 203 I C -0.137 175.967 176.117 -0.021 0.000 1.153 203 I CA -0.083 61.197 61.300 -0.033 0.000 1.426 203 I CB 0.205 38.182 38.000 -0.038 0.000 1.381 203 I HN 0.792 nan 8.210 nan 0.000 0.571 204 D N 5.685 126.090 120.400 0.008 0.000 2.608 204 D HA 0.150 4.790 4.640 0.000 0.000 0.224 204 D C 1.521 177.840 176.300 0.033 0.000 1.123 204 D CA -0.129 53.901 54.000 0.049 0.000 1.030 204 D CB 0.214 41.095 40.800 0.136 0.000 1.093 204 D HN 0.270 nan 8.370 nan 0.000 0.497 205 I N 0.451 121.015 120.570 -0.010 0.000 2.248 205 I HA -0.266 3.904 4.170 0.000 0.000 0.248 205 I C 2.239 178.336 176.117 -0.034 0.000 1.107 205 I CA 1.408 62.682 61.300 -0.044 0.000 1.373 205 I CB -0.602 37.373 38.000 -0.042 0.000 1.055 205 I HN 0.293 nan 8.210 nan 0.000 0.418 206 T N 0.098 114.650 114.554 -0.003 0.000 3.014 206 T HA -0.069 4.281 4.350 0.000 0.000 0.263 206 T C 1.835 176.541 174.700 0.011 0.000 1.078 206 T CA 0.493 62.593 62.100 0.001 0.000 1.135 206 T CB -0.012 68.861 68.868 0.009 0.000 0.895 206 T HN 0.175 nan 8.240 nan 0.000 0.480 207 L N 1.322 122.573 121.223 0.047 0.000 2.046 207 L HA 0.100 4.441 4.340 0.000 0.000 0.208 207 L C 2.122 179.017 176.870 0.040 0.000 1.077 207 L CA 1.684 56.570 54.840 0.077 0.000 0.747 207 L CB -0.515 41.655 42.059 0.185 0.000 0.896 207 L HN 0.296 nan 8.230 nan 0.000 0.432 208 I N -0.385 120.183 120.570 -0.003 0.000 2.394 208 I HA -0.234 3.936 4.170 0.000 0.000 0.251 208 I C 2.540 178.596 176.117 -0.103 0.000 1.136 208 I CA 1.131 62.355 61.300 -0.126 0.000 1.425 208 I CB -1.231 36.588 38.000 -0.301 0.000 1.079 208 I HN 0.376 nan 8.210 nan 0.000 0.425 209 A N 1.074 123.855 122.820 -0.064 0.000 1.872 209 A HA -0.148 4.172 4.320 0.000 0.000 0.214 209 A C 2.428 180.004 177.584 -0.014 0.000 1.187 209 A CA 2.205 54.225 52.037 -0.028 0.000 0.614 209 A CB -1.034 17.956 19.000 -0.016 0.000 0.826 209 A HN 0.357 nan 8.150 nan 0.000 0.442 210 T N 0.695 115.231 114.554 -0.031 0.000 2.684 210 T HA -0.128 4.222 4.350 0.000 0.000 0.267 210 T C 1.805 176.447 174.700 -0.095 0.000 1.036 210 T CA 1.536 63.599 62.100 -0.062 0.000 1.148 210 T CB -0.444 68.383 68.868 -0.068 0.000 0.863 210 T HN 0.323 nan 8.240 nan 0.000 0.436 211 L N 0.203 121.370 121.223 -0.093 0.000 2.127 211 L HA -0.109 4.231 4.340 0.000 0.000 0.211 211 L C 2.897 179.751 176.870 -0.026 0.000 1.089 211 L CA 1.292 56.067 54.840 -0.109 0.000 0.757 211 L CB -0.377 41.605 42.059 -0.128 0.000 0.899 211 L HN 0.179 nan 8.230 nan 0.000 0.434 212 R N -0.367 120.112 120.500 -0.035 0.000 2.073 212 R HA -0.129 4.211 4.340 0.000 0.000 0.234 212 R C 2.135 178.406 176.300 -0.048 0.000 1.134 212 R CA 1.500 57.567 56.100 -0.055 0.000 0.952 212 R CB -0.271 30.045 30.300 0.028 0.000 0.850 212 R HN 0.428 nan 8.270 nan 0.000 0.433 213 N N 0.168 118.898 118.700 0.050 0.000 2.106 213 N HA -0.124 4.617 4.740 0.000 0.000 0.188 213 N C 1.900 177.303 175.510 -0.178 0.000 1.029 213 N CA 1.090 54.177 53.050 0.062 0.000 0.848 213 N CB -0.410 38.050 38.487 -0.045 0.000 1.007 213 N HN 0.003 nan 8.380 nan 0.000 0.423 214 V N 0.884 120.648 119.914 -0.249 0.000 2.332 214 V HA -0.250 3.870 4.120 0.000 0.000 0.248 214 V C 1.845 177.739 176.094 -0.334 0.000 1.055 214 V CA 1.502 63.597 62.300 -0.342 0.000 1.038 214 V CB -0.716 30.883 31.823 -0.373 0.000 0.651 214 V HN 0.241 nan 8.190 nan 0.000 0.450 215 Y N -1.151 119.001 120.300 -0.247 0.000 2.293 215 Y HA -0.126 4.424 4.550 0.000 0.000 0.291 215 Y C 2.161 177.946 175.900 -0.191 0.000 1.137 215 Y CA 1.556 59.508 58.100 -0.247 0.000 1.202 215 Y CB -0.537 37.738 38.460 -0.308 0.000 0.990 215 Y HN 0.182 nan 8.280 nan 0.000 0.537 216 F N -1.046 118.947 119.950 0.072 0.000 2.075 216 F HA -0.327 4.201 4.527 0.000 0.000 0.297 216 F C 2.512 178.322 175.800 0.016 0.000 1.113 216 F CA 1.148 59.191 58.000 0.072 0.000 1.218 216 F CB -0.536 38.540 39.000 0.127 0.000 0.984 216 F HN -0.023 nan 8.300 nan 0.000 0.472 217 M N -0.325 119.325 119.600 0.083 0.000 2.089 217 M HA -0.293 4.187 4.480 0.000 0.000 0.257 217 M C 2.269 178.522 176.300 -0.078 0.000 1.071 217 M CA 1.678 56.944 55.300 -0.056 0.000 1.096 217 M CB -0.600 31.844 32.600 -0.260 0.000 1.330 217 M HN 0.272 nan 8.290 nan 0.000 0.403 218 L N -0.014 121.132 121.223 -0.129 0.000 2.017 218 L HA -0.128 4.212 4.340 0.000 0.000 0.208 218 L C 2.167 178.985 176.870 -0.087 0.000 1.073 218 L CA 1.583 56.335 54.840 -0.148 0.000 0.745 218 L CB -0.616 41.324 42.059 -0.199 0.000 0.894 218 L HN 0.041 nan 8.230 nan 0.000 0.432 219 V N 0.667 120.571 119.914 -0.017 0.000 2.287 219 V HA -0.310 3.811 4.120 0.000 0.000 0.248 219 V C 2.382 178.398 176.094 -0.130 0.000 1.053 219 V CA 2.057 64.317 62.300 -0.066 0.000 1.027 219 V CB -0.996 30.879 31.823 0.087 0.000 0.646 219 V HN 0.552 nan 8.190 nan 0.000 0.447 220 N N -0.159 118.581 118.700 0.068 0.000 2.244 220 N HA -0.122 4.618 4.740 0.000 0.000 0.183 220 N C 1.874 177.474 175.510 0.149 0.000 1.016 220 N CA 1.715 54.867 53.050 0.170 0.000 0.866 220 N CB -0.614 38.006 38.487 0.221 0.000 0.980 220 N HN 0.456 nan 8.380 nan 0.000 0.430 221 T N 0.655 115.226 114.554 0.030 0.000 2.720 221 T HA -0.110 4.240 4.350 0.000 0.000 0.268 221 T C 2.161 176.947 174.700 0.143 0.000 1.037 221 T CA 1.042 63.152 62.100 0.017 0.000 1.144 221 T CB -0.364 68.376 68.868 -0.213 0.000 0.864 221 T HN 0.350 nan 8.240 nan 0.000 0.444 222 C N 0.736 120.034 119.300 -0.004 0.000 2.457 222 C HA -0.014 4.446 4.460 0.000 0.000 0.278 222 C C 2.629 177.642 174.990 0.038 0.000 1.309 222 C CA 0.020 59.022 59.018 -0.028 0.000 1.735 222 C CB -1.205 26.433 27.740 -0.170 0.000 1.992 222 C HN 0.592 nan 8.230 nan 0.000 0.493 223 H N -0.441 118.703 119.070 0.123 0.000 2.357 223 H HA -0.101 4.456 4.556 0.000 0.000 0.301 223 H C 2.086 177.512 175.328 0.163 0.000 1.082 223 H CA 1.555 57.669 56.048 0.110 0.000 1.342 223 H CB -0.869 28.956 29.762 0.106 0.000 1.389 223 H HN 0.559 nan 8.280 nan 0.000 0.511 224 F N 1.343 121.418 119.950 0.209 0.000 2.095 224 F HA -0.191 4.336 4.527 0.000 0.000 0.298 224 F C 2.257 178.160 175.800 0.173 0.000 1.104 224 F CA 1.157 59.276 58.000 0.197 0.000 1.232 224 F CB -0.368 38.786 39.000 0.256 0.000 0.987 224 F HN -0.018 nan 8.300 nan 0.000 0.475 225 L N -0.466 120.977 121.223 0.367 0.000 2.109 225 L HA -0.136 4.204 4.340 0.000 0.000 0.207 225 L C 2.524 179.439 176.870 0.077 0.000 1.086 225 L CA 0.849 55.821 54.840 0.220 0.000 0.760 225 L CB -0.662 41.567 42.059 0.283 0.000 0.910 225 L HN 0.015 nan 8.230 nan 0.000 0.437 226 R N 1.045 121.599 120.500 0.089 0.000 2.127 226 R HA -0.134 4.206 4.340 0.000 0.000 0.238 226 R C 2.268 178.577 176.300 0.014 0.000 1.134 226 R CA 1.720 57.852 56.100 0.054 0.000 0.975 226 R CB -0.791 29.558 30.300 0.083 0.000 0.865 226 R HN 0.452 nan 8.270 nan 0.000 0.447 227 S N -1.336 114.358 115.700 -0.009 0.000 2.720 227 S HA 0.176 4.646 4.470 0.000 0.000 0.222 227 S C 1.282 175.818 174.600 -0.107 0.000 0.958 227 S CA 0.410 58.577 58.200 -0.056 0.000 0.943 227 S CB -0.177 62.983 63.200 -0.067 0.000 0.779 227 S HN 0.553 nan 8.310 nan 0.000 0.526 228 G N 1.042 109.782 108.800 -0.101 0.000 2.205 228 G HA2 -0.294 3.667 3.960 0.000 0.000 0.261 228 G HA3 -0.294 3.667 3.960 0.000 0.000 0.261 228 G C 0.225 175.017 174.900 -0.179 0.000 0.980 228 G CA 0.084 45.119 45.100 -0.109 0.000 0.632 228 G HN 0.605 nan 8.290 nan 0.000 0.533 229 R N -0.035 120.258 120.500 -0.346 0.000 2.531 229 R HA 0.568 4.908 4.340 0.000 0.000 0.273 229 R C 0.726 176.826 176.300 -0.334 0.000 1.070 229 R CA 0.216 56.013 56.100 -0.505 0.000 1.112 229 R CB 1.360 31.040 30.300 -1.032 0.000 1.049 229 R HN 0.579 nan 8.270 nan 0.000 0.508 230 V N -0.270 119.572 119.914 -0.120 0.000 3.019 230 V HA 0.316 4.436 4.120 0.000 0.000 0.317 230 V C 1.343 177.526 176.094 0.149 0.000 1.094 230 V CA -1.004 61.313 62.300 0.029 0.000 1.000 230 V CB 1.414 33.135 31.823 -0.171 0.000 1.060 230 V HN 1.105 nan 8.190 nan 0.000 0.443 231 W N 0.960 122.139 121.300 -0.202 0.000 2.359 231 W HA -0.122 4.538 4.660 0.000 0.000 0.275 231 W C 1.463 177.923 176.519 -0.099 0.000 1.217 231 W CA 1.292 58.330 57.345 -0.510 0.000 1.196 231 W CB -0.605 28.074 29.460 -1.302 0.000 1.129 231 W HN 0.654 nan 8.180 nan 0.000 0.566 232 R N 0.747 120.785 120.500 -0.771 0.000 2.236 232 R HA -0.030 4.310 4.340 0.000 0.000 0.208 232 R C -0.086 176.168 176.300 -0.076 0.000 1.036 232 R CA 0.614 56.333 56.100 -0.634 0.000 1.001 232 R CB -0.322 29.408 30.300 -0.949 0.000 0.896 232 R HN -0.029 nan 8.270 nan 0.000 0.464 233 D N 0.665 121.088 120.400 0.039 0.000 2.342 233 D HA 0.120 4.760 4.640 0.000 0.000 0.260 233 D C 1.041 177.497 176.300 0.259 0.000 1.278 233 D CA 0.758 54.835 54.000 0.128 0.000 0.910 233 D CB 1.050 41.906 40.800 0.094 0.000 1.079 233 D HN 0.399 nan 8.370 nan 0.000 0.496 234 G N 2.587 111.508 108.800 0.203 0.000 2.179 234 G HA2 -0.263 3.697 3.960 0.000 0.000 0.220 234 G HA3 -0.263 3.697 3.960 0.000 0.000 0.220 234 G C 0.923 175.956 174.900 0.221 0.000 0.990 234 G CA 0.052 45.273 45.100 0.202 0.000 0.646 234 G HN 0.547 nan 8.290 nan 0.000 0.517 235 W N 1.493 122.844 121.300 0.085 0.000 2.355 235 W HA -0.032 4.629 4.660 0.000 0.000 0.309 235 W C 1.988 178.556 176.519 0.081 0.000 1.206 235 W CA 2.318 59.730 57.345 0.112 0.000 1.284 235 W CB -0.703 28.844 29.460 0.144 0.000 1.145 235 W HN 0.264 nan 8.180 nan 0.000 0.502 236 G N 0.442 109.391 108.800 0.248 0.000 2.418 236 G HA2 -0.302 3.658 3.960 0.000 0.000 0.217 236 G HA3 -0.302 3.658 3.960 0.000 0.000 0.217 236 G C 1.332 176.251 174.900 0.031 0.000 1.158 236 G CA 1.047 46.229 45.100 0.137 0.000 0.771 236 G HN 0.382 nan 8.290 nan 0.000 0.545 237 E N -0.697 119.524 120.200 0.035 0.000 2.285 237 E HA 0.107 4.457 4.350 0.000 0.000 0.194 237 E C 0.596 177.176 176.600 -0.032 0.000 0.997 237 E CA -0.543 55.862 56.400 0.008 0.000 0.845 237 E CB 0.054 29.773 29.700 0.031 0.000 0.782 237 E HN 0.292 nan 8.360 nan 0.000 0.491 238 L N 2.982 124.161 121.223 -0.075 0.000 2.513 238 L HA 0.068 4.408 4.340 0.000 0.000 0.272 238 L C -2.226 174.532 176.870 -0.187 0.000 1.187 238 L CA -1.489 53.268 54.840 -0.137 0.000 0.895 238 L CB 0.261 42.184 42.059 -0.227 0.000 1.147 238 L HN -0.161 nan 8.230 nan 0.000 0.483 239 P HA 0.050 nan 4.420 nan 0.000 0.268 239 P C -0.586 176.598 177.300 -0.194 0.000 1.204 239 P CA -0.343 62.684 63.100 -0.122 0.000 0.768 239 P CB 0.247 31.909 31.700 -0.063 0.000 0.842 240 T N 0.416 114.862 114.554 -0.179 0.000 2.932 240 T HA 0.118 4.468 4.350 0.000 0.000 0.312 240 T C 0.230 174.808 174.700 -0.203 0.000 1.071 240 T CA -0.311 61.664 62.100 -0.210 0.000 1.128 240 T CB -0.320 68.467 68.868 -0.135 0.000 0.984 240 T HN 0.248 nan 8.240 nan 0.000 0.549 241 S N 2.773 118.305 115.700 -0.280 0.000 2.430 241 S HA 0.517 4.987 4.470 0.000 0.000 0.289 241 S C 0.020 174.547 174.600 -0.123 0.000 1.143 241 S CA -0.909 57.078 58.200 -0.356 0.000 1.067 241 S CB -0.139 62.585 63.200 -0.793 0.000 0.964 241 S HN 0.877 nan 8.310 nan 0.000 0.485 242 C N 1.415 120.713 119.300 -0.004 0.000 3.459 242 C HA 0.662 5.122 4.460 0.000 0.000 0.358 242 C C 2.378 177.382 174.990 0.024 0.000 2.992 242 C CA -0.367 58.657 59.018 0.009 0.000 1.568 242 C CB 0.307 28.045 27.740 -0.003 0.000 3.388 242 C HN 0.885 nan 8.230 nan 0.000 0.515 243 G N 0.354 109.136 108.800 -0.029 0.000 2.469 243 G HA2 -0.090 3.870 3.960 0.000 0.000 0.220 243 G HA3 -0.090 3.870 3.960 0.000 0.000 0.220 243 G C 1.579 176.455 174.900 -0.039 0.000 1.136 243 G CA 1.511 46.550 45.100 -0.101 0.000 0.759 243 G HN 0.974 nan 8.290 nan 0.000 0.562 244 A N 0.005 122.857 122.820 0.052 0.000 1.873 244 A HA 0.012 4.332 4.320 0.000 0.000 0.215 244 A C 2.196 179.841 177.584 0.102 0.000 1.186 244 A CA 1.663 53.755 52.037 0.092 0.000 0.616 244 A CB -0.690 18.355 19.000 0.075 0.000 0.823 244 A HN 0.526 nan 8.150 nan 0.000 0.442 245 Y N 0.791 121.089 120.300 -0.003 0.000 2.145 245 Y HA -0.180 4.370 4.550 0.000 0.000 0.286 245 Y C 2.230 178.137 175.900 0.012 0.000 1.145 245 Y CA 2.254 60.362 58.100 0.015 0.000 1.148 245 Y CB -0.123 38.337 38.460 0.000 0.000 0.981 245 Y HN 0.169 nan 8.280 nan 0.000 0.507 246 K N -0.833 119.594 120.400 0.044 0.000 2.097 246 K HA -0.205 4.115 4.320 0.000 0.000 0.206 246 K C 1.874 178.376 176.600 -0.162 0.000 1.049 246 K CA 1.493 57.702 56.287 -0.130 0.000 0.933 246 K CB -0.440 31.943 32.500 -0.196 0.000 0.717 246 K HN 0.475 nan 8.250 nan 0.000 0.442 247 H N 0.577 119.595 119.070 -0.088 0.000 2.395 247 H HA -0.035 4.521 4.556 0.000 0.000 0.299 247 H C 2.174 177.454 175.328 -0.081 0.000 1.070 247 H CA 1.277 57.279 56.048 -0.076 0.000 1.356 247 H CB 0.058 29.791 29.762 -0.048 0.000 1.401 247 H HN 0.096 nan 8.280 nan 0.000 0.524 248 R N 1.093 121.609 120.500 0.026 0.000 2.152 248 R HA -0.012 4.328 4.340 0.000 0.000 0.232 248 R C 2.130 178.437 176.300 0.010 0.000 1.117 248 R CA 1.256 57.347 56.100 -0.016 0.000 0.981 248 R CB -0.334 29.928 30.300 -0.064 0.000 0.870 248 R HN 0.185 nan 8.270 nan 0.000 0.451 249 A N -0.404 122.378 122.820 -0.062 0.000 2.168 249 A HA -0.065 4.255 4.320 0.000 0.000 0.215 249 A C 1.882 179.451 177.584 -0.025 0.000 1.152 249 A CA 1.434 53.443 52.037 -0.047 0.000 0.716 249 A CB -0.600 18.231 19.000 -0.282 0.000 0.794 249 A HN 0.604 nan 8.150 nan 0.000 0.465 250 T N -2.970 111.582 114.554 -0.004 0.000 3.040 250 T HA 0.181 4.531 4.350 0.000 0.000 0.250 250 T C 0.617 175.328 174.700 0.019 0.000 1.058 250 T CA -0.173 61.930 62.100 0.005 0.000 0.988 250 T CB -0.110 68.773 68.868 0.025 0.000 0.993 250 T HN 0.495 nan 8.240 nan 0.000 0.519 251 Q N 1.644 121.463 119.800 0.031 0.000 2.261 251 Q HA 0.382 4.722 4.340 0.000 0.000 0.252 251 Q C -0.039 175.988 176.000 0.045 0.000 0.915 251 Q CA -0.545 55.271 55.803 0.022 0.000 0.915 251 Q CB 1.531 30.272 28.738 0.004 0.000 1.204 251 Q HN 0.497 nan 8.270 nan 0.000 0.421 252 M N 2.201 121.819 119.600 0.030 0.000 2.286 252 M HA -0.037 4.443 4.480 0.000 0.000 0.365 252 M C 0.189 176.526 176.300 0.061 0.000 1.443 252 M CA 1.918 57.245 55.300 0.045 0.000 0.951 252 M CB -0.413 32.201 32.600 0.022 0.000 1.961 252 M HN 0.983 nan 8.290 nan 0.000 0.468 253 D N 2.250 122.716 120.400 0.109 0.000 2.792 253 D HA -0.172 4.468 4.640 0.000 0.000 0.231 253 D C 0.788 177.116 176.300 0.047 0.000 1.160 253 D CA 1.106 55.169 54.000 0.105 0.000 0.697 253 D CB -1.910 38.925 40.800 0.058 0.000 1.070 253 D HN 1.126 nan 8.370 nan 0.000 0.426 254 A N -1.615 121.257 122.820 0.087 0.000 2.067 254 A HA 0.465 4.785 4.320 0.000 0.000 0.219 254 A C 0.774 178.223 177.584 -0.225 0.000 1.158 254 A CA 1.109 53.124 52.037 -0.037 0.000 0.661 254 A CB 0.192 19.210 19.000 0.030 0.000 0.801 254 A HN 0.894 nan 8.150 nan 0.000 0.452 255 F N -2.432 117.508 119.950 -0.018 0.000 2.546 255 F HA 0.655 5.182 4.527 0.000 0.000 0.320 255 F C 0.358 175.971 175.800 -0.312 0.000 1.076 255 F CA 0.115 58.087 58.000 -0.048 0.000 0.928 255 F CB 1.694 40.746 39.000 0.088 0.000 1.189 255 F HN 0.243 nan 8.300 nan 0.000 0.465 256 Q N 0.404 120.036 119.800 -0.280 0.000 2.553 256 Q HA 0.494 4.835 4.340 0.000 0.000 0.293 256 Q C -1.073 174.687 176.000 -0.400 0.000 1.038 256 Q CA -1.206 54.140 55.803 -0.762 0.000 0.777 256 Q CB 1.394 29.869 28.738 -0.439 0.000 1.487 256 Q HN 0.730 nan 8.270 nan 0.000 0.426 257 E N 1.177 121.160 120.200 -0.363 0.000 2.299 257 E HA 0.336 4.686 4.350 0.000 0.000 0.272 257 E C -0.678 175.955 176.600 0.056 0.000 1.043 257 E CA -0.135 56.307 56.400 0.070 0.000 0.895 257 E CB 0.394 30.233 29.700 0.230 0.000 1.011 257 E HN 0.486 nan 8.360 nan 0.000 0.432 258 R N 3.418 123.994 120.500 0.127 0.000 2.562 258 R HA 0.250 4.591 4.340 0.000 0.000 0.298 258 R C 0.509 176.858 176.300 0.082 0.000 0.961 258 R CA -0.737 55.411 56.100 0.081 0.000 0.881 258 R CB 1.713 32.064 30.300 0.084 0.000 1.159 258 R HN 0.388 nan 8.270 nan 0.000 0.450 259 V N 0.894 120.764 119.914 -0.074 0.000 2.788 259 V HA -0.022 4.098 4.120 0.000 0.000 0.251 259 V C 1.351 177.402 176.094 -0.072 0.000 1.068 259 V CA 1.913 64.050 62.300 -0.272 0.000 1.090 259 V CB -0.184 31.457 31.823 -0.303 0.000 0.710 259 V HN 0.953 nan 8.190 nan 0.000 0.467 260 S N 1.735 117.439 115.700 0.006 0.000 2.497 260 S HA 0.643 5.113 4.470 0.000 0.000 0.176 260 S C -2.146 172.524 174.600 0.116 0.000 1.445 260 S CA -1.231 57.001 58.200 0.054 0.000 1.092 260 S CB -0.273 62.942 63.200 0.024 0.000 1.216 260 S HN 0.256 nan 8.310 nan 0.000 0.486 261 P HA 0.475 nan 4.420 nan 0.000 0.279 261 P C -0.438 177.047 177.300 0.308 0.000 1.252 261 P CA -0.397 62.852 63.100 0.248 0.000 0.811 261 P CB 0.898 32.789 31.700 0.319 0.000 1.035 262 E N 0.228 120.578 120.200 0.249 0.000 2.248 262 E HA 0.142 4.492 4.350 0.000 0.000 0.272 262 E C 0.796 177.543 176.600 0.246 0.000 1.008 262 E CA -0.787 55.770 56.400 0.261 0.000 0.856 262 E CB 0.904 30.702 29.700 0.163 0.000 1.120 262 E HN 0.233 nan 8.360 nan 0.000 0.397 263 L N 2.528 123.899 121.223 0.247 0.000 2.103 263 L HA -0.188 4.152 4.340 0.000 0.000 0.215 263 L C 1.947 178.884 176.870 0.113 0.000 1.080 263 L CA 2.468 57.363 54.840 0.091 0.000 0.764 263 L CB -0.852 41.315 42.059 0.180 0.000 0.890 263 L HN 0.810 nan 8.230 nan 0.000 0.435 264 G N -1.708 107.178 108.800 0.143 0.000 2.470 264 G HA2 -0.231 3.729 3.960 0.000 0.000 0.220 264 G HA3 -0.231 3.729 3.960 0.000 0.000 0.220 264 G C 1.172 176.253 174.900 0.302 0.000 1.121 264 G CA 0.791 46.004 45.100 0.189 0.000 0.766 264 G HN 0.466 nan 8.290 nan 0.000 0.553 265 D N 0.105 120.657 120.400 0.254 0.000 2.349 265 D HA 0.041 4.681 4.640 0.000 0.000 0.224 265 D C 1.513 177.962 176.300 0.249 0.000 1.029 265 D CA 0.779 54.979 54.000 0.334 0.000 0.879 265 D CB 0.370 41.316 40.800 0.242 0.000 0.906 265 D HN 0.452 nan 8.370 nan 0.000 0.528 266 T N -3.092 111.541 114.554 0.132 0.000 2.938 266 T HA 0.397 4.747 4.350 0.000 0.000 0.285 266 T C 1.374 176.025 174.700 -0.083 0.000 1.028 266 T CA -0.731 61.353 62.100 -0.026 0.000 1.005 266 T CB 1.353 70.126 68.868 -0.158 0.000 1.157 266 T HN -0.183 nan 8.240 nan 0.000 0.550 267 L N -0.379 120.683 121.223 -0.268 0.000 2.217 267 L HA 0.111 4.451 4.340 0.000 0.000 0.211 267 L C 2.124 178.965 176.870 -0.049 0.000 1.107 267 L CA 0.871 55.568 54.840 -0.237 0.000 0.783 267 L CB -0.559 41.310 42.059 -0.317 0.000 0.919 267 L HN 0.604 nan 8.230 nan 0.000 0.442 268 F N 0.073 120.130 119.950 0.179 0.000 2.269 268 F HA -0.169 4.358 4.527 0.000 0.000 0.301 268 F C 2.544 178.566 175.800 0.370 0.000 1.082 268 F CA 0.866 59.071 58.000 0.340 0.000 1.360 268 F CB -1.062 38.088 39.000 0.250 0.000 1.041 268 F HN 0.025 nan 8.300 nan 0.000 0.512 269 A N 0.672 123.666 122.820 0.290 0.000 2.019 269 A HA -0.092 4.228 4.320 0.000 0.000 0.219 269 A C 2.046 179.527 177.584 -0.172 0.000 1.164 269 A CA 1.598 53.667 52.037 0.054 0.000 0.644 269 A CB -1.085 17.955 19.000 0.066 0.000 0.805 269 A HN 0.450 nan 8.150 nan 0.000 0.449 270 L N -4.669 116.459 121.223 -0.159 0.000 2.478 270 L HA 0.267 4.608 4.340 0.000 0.000 0.223 270 L C 1.476 178.105 176.870 -0.402 0.000 1.140 270 L CA 1.224 55.869 54.840 -0.326 0.000 0.842 270 L CB -0.950 41.014 42.059 -0.158 0.000 0.953 270 L HN 0.110 nan 8.230 nan 0.000 0.452 271 F N 0.489 120.430 119.950 -0.016 0.000 2.780 271 F HA 0.186 4.713 4.527 0.000 0.000 0.299 271 F C 1.539 177.387 175.800 0.080 0.000 1.146 271 F CA 0.117 58.128 58.000 0.019 0.000 1.428 271 F CB -0.279 38.762 39.000 0.067 0.000 1.115 271 F HN 0.036 nan 8.300 nan 0.000 0.583 272 K N 1.879 122.299 120.400 0.034 0.000 2.111 272 K HA 0.173 4.493 4.320 0.000 0.000 0.249 272 K C -0.779 175.744 176.600 -0.130 0.000 1.157 272 K CA 0.057 56.249 56.287 -0.157 0.000 1.048 272 K CB -0.418 31.642 32.500 -0.734 0.000 1.498 272 K HN 0.031 nan 8.250 nan 0.000 0.344 273 T N 0.406 114.947 114.554 -0.021 0.000 2.893 273 T HA 0.069 4.419 4.350 0.000 0.000 0.291 273 T C 0.675 175.376 174.700 0.002 0.000 1.028 273 T CA -0.921 61.161 62.100 -0.029 0.000 0.995 273 T CB 1.713 70.573 68.868 -0.014 0.000 1.051 273 T HN 0.251 nan 8.240 nan 0.000 0.470 274 Q N 1.546 121.345 119.800 -0.001 0.000 2.133 274 Q HA -0.162 4.178 4.340 0.000 0.000 0.208 274 Q C 2.609 178.619 176.000 0.016 0.000 0.991 274 Q CA 2.727 58.538 55.803 0.013 0.000 0.867 274 Q CB -0.963 27.780 28.738 0.008 0.000 0.911 274 Q HN 0.991 nan 8.270 nan 0.000 0.417 275 E N -0.074 120.128 120.200 0.004 0.000 2.233 275 E HA -0.163 4.187 4.350 0.000 0.000 0.199 275 E C 1.748 178.328 176.600 -0.034 0.000 1.004 275 E CA 1.683 58.078 56.400 -0.008 0.000 0.819 275 E CB -0.702 28.989 29.700 -0.015 0.000 0.738 275 E HN 0.531 nan 8.360 nan 0.000 0.478 276 L N -1.341 119.848 121.223 -0.056 0.000 2.590 276 L HA 0.305 4.645 4.340 0.000 0.000 0.227 276 L C 0.973 177.901 176.870 0.097 0.000 1.099 276 L CA -0.184 54.581 54.840 -0.124 0.000 0.872 276 L CB 0.294 42.200 42.059 -0.254 0.000 1.088 276 L HN 0.188 nan 8.230 nan 0.000 0.479 277 L N -0.233 121.044 121.223 0.090 0.000 2.488 277 L HA 0.262 4.602 4.340 0.000 0.000 0.249 277 L C -0.097 176.825 176.870 0.086 0.000 1.151 277 L CA -0.665 54.244 54.840 0.114 0.000 0.806 277 L CB 0.561 42.683 42.059 0.105 0.000 1.261 277 L HN 0.050 nan 8.230 nan 0.000 0.484 278 D N -1.474 118.970 120.400 0.073 0.000 2.592 278 D HA 0.237 4.877 4.640 0.000 0.000 0.259 278 D C 0.690 177.013 176.300 0.038 0.000 1.144 278 D CA 0.110 54.138 54.000 0.047 0.000 1.080 278 D CB 0.145 40.965 40.800 0.033 0.000 1.225 278 D HN 0.575 nan 8.370 nan 0.000 0.619 279 D N -1.391 119.024 120.400 0.026 0.000 2.191 279 D HA -0.206 4.434 4.640 0.000 0.000 0.195 279 D C 1.793 178.108 176.300 0.024 0.000 1.003 279 D CA 3.153 57.166 54.000 0.021 0.000 0.867 279 D CB -0.721 40.088 40.800 0.014 0.000 0.926 279 D HN 0.642 nan 8.370 nan 0.000 0.450 280 R N -0.812 119.705 120.500 0.029 0.000 2.552 280 R HA 0.615 4.956 4.340 0.000 0.000 0.314 280 R C 2.062 178.389 176.300 0.045 0.000 1.041 280 R CA 1.059 57.178 56.100 0.032 0.000 1.076 280 R CB -1.057 29.261 30.300 0.029 0.000 1.290 280 R HN 1.582 nan 8.270 nan 0.000 0.563 281 G N -0.459 108.372 108.800 0.052 0.000 2.155 281 G HA2 -0.211 3.749 3.960 0.000 0.000 0.257 281 G HA3 -0.211 3.749 3.960 0.000 0.000 0.257 281 G C 0.220 175.190 174.900 0.117 0.000 0.983 281 G CA 0.411 45.553 45.100 0.069 0.000 0.676 281 G HN 0.787 nan 8.290 nan 0.000 0.528 282 V N 1.150 121.132 119.914 0.113 0.000 2.481 282 V HA 0.555 4.675 4.120 0.000 0.000 0.286 282 V C 1.074 177.258 176.094 0.150 0.000 1.042 282 V CA -0.813 61.574 62.300 0.145 0.000 0.928 282 V CB 1.892 33.771 31.823 0.093 0.000 0.986 282 V HN 0.407 nan 8.190 nan 0.000 0.462 283 I N 5.061 125.752 120.570 0.202 0.000 2.598 283 I HA 0.081 4.251 4.170 0.000 0.000 0.284 283 I C 0.000 176.154 176.117 0.061 0.000 1.140 283 I CA -0.268 61.130 61.300 0.164 0.000 1.420 283 I CB 0.245 38.337 38.000 0.152 0.000 1.387 283 I HN 0.398 nan 8.210 nan 0.000 0.553 284 L N 8.455 129.712 121.223 0.056 0.000 2.525 284 L HA -0.015 4.325 4.340 0.000 0.000 0.278 284 L C 1.685 178.421 176.870 -0.223 0.000 1.218 284 L CA 0.663 55.447 54.840 -0.094 0.000 0.878 284 L CB -0.026 41.936 42.059 -0.161 0.000 1.127 284 L HN 0.709 nan 8.230 nan 0.000 0.492 285 E N 2.697 122.705 120.200 -0.320 0.000 2.160 285 E HA -0.178 4.172 4.350 0.000 0.000 0.195 285 E C 1.930 177.971 176.600 -0.932 0.000 0.991 285 E CA 0.952 57.054 56.400 -0.497 0.000 0.810 285 E CB 0.145 29.563 29.700 -0.470 0.000 0.742 285 E HN 0.573 nan 8.360 nan 0.000 0.466 286 V N 1.323 120.682 119.914 -0.925 0.000 2.515 286 V HA -0.217 3.903 4.120 0.000 0.000 0.250 286 V C 2.042 177.861 176.094 -0.458 0.000 1.058 286 V CA 1.756 63.519 62.300 -0.895 0.000 1.064 286 V CB -0.341 31.075 31.823 -0.680 0.000 0.675 286 V HN 0.268 nan 8.190 nan 0.000 0.461 287 H N 0.289 119.189 119.070 -0.283 0.000 2.395 287 H HA 0.133 4.689 4.556 0.000 0.000 0.299 287 H C 2.369 177.521 175.328 -0.292 0.000 1.070 287 H CA 1.353 57.266 56.048 -0.226 0.000 1.356 287 H CB -0.737 28.919 29.762 -0.175 0.000 1.401 287 H HN 0.536 nan 8.280 nan 0.000 0.524 288 A N 1.231 123.949 122.820 -0.170 0.000 1.908 288 A HA -0.194 4.126 4.320 0.000 0.000 0.218 288 A C 2.024 179.620 177.584 0.021 0.000 1.181 288 A CA 1.444 53.380 52.037 -0.168 0.000 0.627 288 A CB -0.963 18.072 19.000 0.057 0.000 0.818 288 A HN 0.351 nan 8.150 nan 0.000 0.445 289 W N -0.373 120.869 121.300 -0.097 0.000 2.338 289 W HA -0.091 4.569 4.660 0.000 0.000 0.304 289 W C 2.811 179.253 176.519 -0.129 0.000 1.212 289 W CA 0.774 58.072 57.345 -0.079 0.000 1.264 289 W CB -1.311 28.108 29.460 -0.068 0.000 1.142 289 W HN 0.444 nan 8.180 nan 0.000 0.512 290 A N -0.133 122.722 122.820 0.059 0.000 1.972 290 A HA -0.138 4.182 4.320 0.000 0.000 0.219 290 A C 2.168 179.608 177.584 -0.241 0.000 1.169 290 A CA 1.500 53.489 52.037 -0.081 0.000 0.635 290 A CB -0.920 18.016 19.000 -0.106 0.000 0.810 290 A HN 0.254 nan 8.150 nan 0.000 0.446 291 L N -0.663 120.307 121.223 -0.422 0.000 2.109 291 L HA -0.139 4.201 4.340 0.000 0.000 0.207 291 L C 2.009 178.673 176.870 -0.342 0.000 1.086 291 L CA 1.211 55.654 54.840 -0.661 0.000 0.760 291 L CB -0.710 40.446 42.059 -1.504 0.000 0.910 291 L HN 0.318 nan 8.230 nan 0.000 0.437 292 D N 0.592 120.943 120.400 -0.081 0.000 2.104 292 D HA -0.181 4.459 4.640 0.000 0.000 0.194 292 D C 2.208 178.545 176.300 0.062 0.000 0.994 292 D CA 1.602 55.684 54.000 0.137 0.000 0.830 292 D CB -0.018 40.886 40.800 0.173 0.000 0.959 292 D HN 0.306 nan 8.370 nan 0.000 0.452 293 A N 1.117 123.942 122.820 0.009 0.000 1.858 293 A HA -0.162 4.158 4.320 0.000 0.000 0.216 293 A C 2.208 179.797 177.584 0.008 0.000 1.190 293 A CA 1.310 53.346 52.037 -0.002 0.000 0.617 293 A CB -0.904 18.084 19.000 -0.020 0.000 0.827 293 A HN 0.246 nan 8.150 nan 0.000 0.443 294 L N -0.477 120.736 121.223 -0.018 0.000 2.013 294 L HA -0.220 4.120 4.340 0.000 0.000 0.212 294 L C 2.512 179.451 176.870 0.115 0.000 1.073 294 L CA 2.874 57.718 54.840 0.007 0.000 0.753 294 L CB -0.566 41.459 42.059 -0.058 0.000 0.890 294 L HN 0.565 nan 8.230 nan 0.000 0.432 295 M N -1.474 118.260 119.600 0.223 0.000 2.080 295 M HA -0.251 4.229 4.480 0.000 0.000 0.260 295 M C 2.218 178.627 176.300 0.180 0.000 1.068 295 M CA 2.304 57.795 55.300 0.318 0.000 1.109 295 M CB -0.305 32.481 32.600 0.310 0.000 1.342 295 M HN 0.422 nan 8.290 nan 0.000 0.405 296 L N 0.668 121.958 121.223 0.113 0.000 2.013 296 L HA -0.233 4.107 4.340 0.000 0.000 0.212 296 L C 2.076 178.980 176.870 0.057 0.000 1.073 296 L CA 2.053 56.935 54.840 0.070 0.000 0.753 296 L CB -0.507 41.575 42.059 0.039 0.000 0.890 296 L HN 0.254 nan 8.230 nan 0.000 0.432 297 K N -1.433 118.994 120.400 0.046 0.000 2.217 297 K HA -0.064 4.256 4.320 0.000 0.000 0.202 297 K C 1.777 178.390 176.600 0.023 0.000 1.051 297 K CA 0.836 57.140 56.287 0.029 0.000 0.952 297 K CB -0.098 32.408 32.500 0.009 0.000 0.736 297 K HN 0.149 nan 8.250 nan 0.000 0.453 298 L N 0.372 121.613 121.223 0.030 0.000 2.341 298 L HA -0.008 4.333 4.340 0.000 0.000 0.214 298 L C 2.605 179.481 176.870 0.011 0.000 1.115 298 L CA 1.349 56.188 54.840 -0.001 0.000 0.820 298 L CB -0.746 41.318 42.059 0.009 0.000 0.944 298 L HN 0.065 nan 8.230 nan 0.000 0.452 299 R N -0.605 119.925 120.500 0.050 0.000 2.193 299 R HA -0.055 4.286 4.340 0.000 0.000 0.229 299 R C 1.605 177.924 176.300 0.032 0.000 1.110 299 R CA 1.501 57.636 56.100 0.057 0.000 0.988 299 R CB -1.362 28.981 30.300 0.072 0.000 0.871 299 R HN 0.408 nan 8.270 nan 0.000 0.458 300 N N 0.066 118.780 118.700 0.023 0.000 2.313 300 N HA 0.176 4.916 4.740 0.000 0.000 0.207 300 N C -0.941 174.574 175.510 0.009 0.000 1.141 300 N CA 0.127 53.192 53.050 0.026 0.000 0.830 300 N CB 0.172 38.685 38.487 0.043 0.000 1.008 300 N HN 0.392 nan 8.380 nan 0.000 0.481 301 L N 0.960 122.168 121.223 -0.025 0.000 2.298 301 L HA 0.298 4.638 4.340 0.000 0.000 0.284 301 L C 0.232 177.078 176.870 -0.039 0.000 1.013 301 L CA -0.507 54.301 54.840 -0.053 0.000 0.824 301 L CB 1.461 43.428 42.059 -0.153 0.000 1.221 301 L HN -0.077 nan 8.230 nan 0.000 0.418 302 N N 2.182 120.885 118.700 0.006 0.000 2.420 302 N HA 0.237 4.977 4.740 0.000 0.000 0.262 302 N C -0.805 174.632 175.510 -0.123 0.000 1.144 302 N CA -0.230 52.796 53.050 -0.039 0.000 0.952 302 N CB 1.154 39.709 38.487 0.113 0.000 1.081 302 N HN 0.261 nan 8.380 nan 0.000 0.480 303 V N 4.886 124.590 119.914 -0.349 0.000 2.612 303 V HA 0.647 4.767 4.120 0.000 0.000 0.301 303 V C -1.026 174.706 176.094 -0.604 0.000 1.046 303 V CA -0.131 61.988 62.300 -0.302 0.000 0.946 303 V CB 0.684 32.350 31.823 -0.261 0.000 1.003 303 V HN 0.573 nan 8.190 nan 0.000 0.459 304 F N 2.112 122.104 119.950 0.069 0.000 2.686 304 F HA 0.630 5.157 4.527 0.000 0.000 0.311 304 F C 0.098 175.955 175.800 0.095 0.000 1.128 304 F CA -0.592 57.467 58.000 0.099 0.000 0.946 304 F CB 2.354 41.402 39.000 0.080 0.000 1.336 304 F HN 0.387 nan 8.300 nan 0.000 0.457 305 S N 0.473 116.366 115.700 0.321 0.000 2.607 305 S HA 0.948 5.418 4.470 0.000 0.000 0.303 305 S C -1.198 173.503 174.600 0.169 0.000 1.086 305 S CA -0.808 57.519 58.200 0.212 0.000 0.995 305 S CB 2.018 65.344 63.200 0.210 0.000 1.084 305 S HN 0.839 nan 8.310 nan 0.000 0.507 306 A N 1.346 124.231 122.820 0.108 0.000 2.488 306 A HA 0.623 4.943 4.320 0.000 0.000 0.295 306 A C -1.337 176.274 177.584 0.045 0.000 1.045 306 A CA -0.817 51.262 52.037 0.070 0.000 0.703 306 A CB 1.065 20.094 19.000 0.048 0.000 1.271 306 A HN 0.833 nan 8.150 nan 0.000 0.400 307 D N 1.722 122.147 120.400 0.042 0.000 2.256 307 D HA 0.444 5.085 4.640 0.000 0.000 0.250 307 D C 0.036 176.339 176.300 0.005 0.000 1.093 307 D CA -0.276 53.739 54.000 0.025 0.000 0.882 307 D CB 0.630 41.452 40.800 0.037 0.000 1.185 307 D HN 0.341 nan 8.370 nan 0.000 0.437 308 L N 3.463 124.676 121.223 -0.016 0.000 3.062 308 L HA 0.156 4.496 4.340 0.000 0.000 0.255 308 L C 1.406 178.264 176.870 -0.020 0.000 1.274 308 L CA -0.268 54.558 54.840 -0.023 0.000 1.047 308 L CB -0.033 42.002 42.059 -0.041 0.000 1.402 308 L HN 0.471 nan 8.230 nan 0.000 0.550 309 S N 0.468 116.163 115.700 -0.008 0.000 2.370 309 S HA -0.098 4.373 4.470 0.000 0.000 0.226 309 S C 1.462 176.060 174.600 -0.002 0.000 1.033 309 S CA 1.309 59.508 58.200 -0.003 0.000 1.011 309 S CB -0.069 63.135 63.200 0.006 0.000 0.852 309 S HN 0.657 nan 8.310 nan 0.000 0.457 310 G N 1.208 110.007 108.800 -0.002 0.000 2.525 310 G HA2 0.379 4.339 3.960 0.000 0.000 0.276 310 G HA3 0.379 4.339 3.960 0.000 0.000 0.276 310 G C 0.180 175.078 174.900 -0.004 0.000 1.388 310 G CA -0.080 45.019 45.100 -0.002 0.000 1.050 310 G HN 0.429 nan 8.290 nan 0.000 0.520 311 T N -1.490 113.061 114.554 -0.005 0.000 2.828 311 T HA 0.324 4.674 4.350 0.000 0.000 0.290 311 T C -1.512 173.182 174.700 -0.011 0.000 1.019 311 T CA -1.023 61.074 62.100 -0.007 0.000 1.031 311 T CB 1.455 70.319 68.868 -0.006 0.000 1.001 311 T HN 0.161 nan 8.240 nan 0.000 0.531 312 P HA -0.195 nan 4.420 nan 0.000 0.219 312 P C 1.790 179.076 177.300 -0.023 0.000 1.161 312 P CA 1.320 64.408 63.100 -0.020 0.000 0.909 312 P CB 0.028 31.713 31.700 -0.025 0.000 0.793 313 R N -0.562 119.926 120.500 -0.021 0.000 2.096 313 R HA -0.152 4.188 4.340 0.000 0.000 0.235 313 R C 2.441 178.731 176.300 -0.017 0.000 1.127 313 R CA 1.578 57.665 56.100 -0.021 0.000 0.968 313 R CB -0.456 29.833 30.300 -0.018 0.000 0.861 313 R HN 0.374 nan 8.270 nan 0.000 0.440 314 Q N -0.771 119.022 119.800 -0.012 0.000 2.119 314 Q HA -0.147 4.194 4.340 0.000 0.000 0.201 314 Q C 2.340 178.334 176.000 -0.009 0.000 0.972 314 Q CA 1.371 57.169 55.803 -0.009 0.000 0.847 314 Q CB -0.017 28.718 28.738 -0.005 0.000 0.903 314 Q HN 0.391 nan 8.270 nan 0.000 0.433 315 C N 0.205 119.499 119.300 -0.010 0.000 2.429 315 C HA -0.131 4.329 4.460 0.000 0.000 0.277 315 C C 2.851 177.835 174.990 -0.011 0.000 1.262 315 C CA 0.836 59.849 59.018 -0.010 0.000 1.733 315 C CB -1.135 26.598 27.740 -0.012 0.000 2.010 315 C HN 0.625 nan 8.230 nan 0.000 0.483 316 A N 0.425 123.234 122.820 -0.017 0.000 1.933 316 A HA 0.052 4.372 4.320 0.000 0.000 0.218 316 A C 2.331 179.903 177.584 -0.020 0.000 1.175 316 A CA 2.050 54.075 52.037 -0.021 0.000 0.628 316 A CB -0.760 18.222 19.000 -0.030 0.000 0.814 316 A HN 0.591 nan 8.150 nan 0.000 0.444 317 A N -0.693 122.117 122.820 -0.017 0.000 1.930 317 A HA 0.077 4.397 4.320 0.000 0.000 0.217 317 A C 2.210 179.784 177.584 -0.016 0.000 1.175 317 A CA 1.594 53.621 52.037 -0.016 0.000 0.627 317 A CB -0.736 18.257 19.000 -0.012 0.000 0.815 317 A HN 0.336 nan 8.150 nan 0.000 0.443 318 V N -0.319 119.588 119.914 -0.012 0.000 2.270 318 V HA -0.217 3.903 4.120 0.000 0.000 0.245 318 V C 2.587 178.667 176.094 -0.022 0.000 1.043 318 V CA 2.032 64.326 62.300 -0.009 0.000 1.014 318 V CB -0.756 31.068 31.823 0.002 0.000 0.645 318 V HN 0.370 nan 8.190 nan 0.000 0.447 319 V N -0.218 119.683 119.914 -0.022 0.000 2.407 319 V HA -0.279 3.841 4.120 0.000 0.000 0.248 319 V C 2.349 178.405 176.094 -0.063 0.000 1.055 319 V CA 2.086 64.364 62.300 -0.037 0.000 1.049 319 V CB -0.718 31.097 31.823 -0.013 0.000 0.662 319 V HN 0.591 nan 8.190 nan 0.000 0.455 320 E N 0.644 120.816 120.200 -0.046 0.000 2.204 320 E HA -0.146 4.204 4.350 0.000 0.000 0.194 320 E C 2.235 178.800 176.600 -0.059 0.000 0.989 320 E CA 1.274 57.644 56.400 -0.050 0.000 0.824 320 E CB -0.163 29.517 29.700 -0.033 0.000 0.756 320 E HN 0.763 nan 8.360 nan 0.000 0.477 321 S N 0.032 115.701 115.700 -0.052 0.000 2.555 321 S HA -0.019 4.451 4.470 0.000 0.000 0.230 321 S C 1.740 176.293 174.600 -0.078 0.000 0.978 321 S CA 0.377 58.548 58.200 -0.048 0.000 0.934 321 S CB -0.128 63.057 63.200 -0.025 0.000 0.766 321 S HN 0.179 nan 8.310 nan 0.000 0.533 322 L N 0.162 121.302 121.223 -0.139 0.000 2.307 322 L HA 0.221 4.561 4.340 0.000 0.000 0.211 322 L C 2.286 178.983 176.870 -0.287 0.000 1.099 322 L CA 0.219 54.894 54.840 -0.275 0.000 0.816 322 L CB -0.530 41.256 42.059 -0.455 0.000 0.952 322 L HN 0.263 nan 8.230 nan 0.000 0.455 323 L N 0.529 121.642 121.223 -0.182 0.000 2.054 323 L HA -0.251 4.089 4.340 0.000 0.000 0.220 323 L C -0.249 176.570 176.870 -0.084 0.000 1.081 323 L CA 1.953 56.718 54.840 -0.124 0.000 0.780 323 L CB -1.620 40.396 42.059 -0.071 0.000 0.893 323 L HN 0.256 nan 8.230 nan 0.000 0.438 324 P HA -0.152 nan 4.420 nan 0.000 0.219 324 P C 1.441 178.746 177.300 0.009 0.000 1.146 324 P CA 1.298 64.388 63.100 -0.017 0.000 0.808 324 P CB 0.048 31.743 31.700 -0.009 0.000 0.779 325 L N -3.286 117.935 121.223 -0.004 0.000 2.592 325 L HA 0.184 4.524 4.340 0.000 0.000 0.227 325 L C 1.242 178.230 176.870 0.197 0.000 1.127 325 L CA -0.055 54.852 54.840 0.113 0.000 0.884 325 L CB -0.403 41.788 42.059 0.220 0.000 1.065 325 L HN 0.029 nan 8.230 nan 0.000 0.457 326 M N -0.555 119.076 119.600 0.051 0.000 2.359 326 M HA 0.210 4.690 4.480 0.000 0.000 0.322 326 M C 0.420 176.792 176.300 0.119 0.000 1.166 326 M CA -0.096 55.271 55.300 0.112 0.000 1.067 326 M CB 1.654 34.227 32.600 -0.045 0.000 1.523 326 M HN -0.071 nan 8.290 nan 0.000 0.467 327 S N 1.038 116.824 115.700 0.143 0.000 2.564 327 S HA 0.336 4.806 4.470 0.000 0.000 0.278 327 S C -0.230 174.404 174.600 0.058 0.000 1.333 327 S CA -0.763 57.493 58.200 0.095 0.000 1.048 327 S CB 0.514 63.772 63.200 0.096 0.000 0.900 327 S HN 0.710 nan 8.310 nan 0.000 0.505 328 S N 1.167 116.896 115.700 0.048 0.000 2.634 328 S HA 0.879 5.349 4.470 0.000 0.000 0.296 328 S C -0.500 174.127 174.600 0.044 0.000 1.104 328 S CA -0.894 57.328 58.200 0.036 0.000 0.920 328 S CB 1.705 64.925 63.200 0.032 0.000 1.111 328 S HN 0.748 nan 8.310 nan 0.000 0.493 329 T N -0.949 113.633 114.554 0.047 0.000 2.906 329 T HA 0.669 5.019 4.350 0.000 0.000 0.295 329 T C -0.834 173.904 174.700 0.065 0.000 1.075 329 T CA -1.002 61.136 62.100 0.063 0.000 1.005 329 T CB 0.748 69.669 68.868 0.088 0.000 1.136 329 T HN 0.611 nan 8.240 nan 0.000 0.498 330 L N 2.281 123.543 121.223 0.064 0.000 2.272 330 L HA 0.688 5.028 4.340 0.000 0.000 0.289 330 L C 0.338 177.248 176.870 0.067 0.000 1.032 330 L CA -0.630 54.246 54.840 0.061 0.000 0.810 330 L CB 1.443 43.532 42.059 0.050 0.000 1.205 330 L HN 0.882 nan 8.230 nan 0.000 0.422 331 S N 1.314 117.057 115.700 0.071 0.000 2.548 331 S HA 0.533 5.003 4.470 0.000 0.000 0.286 331 S C -0.941 173.700 174.600 0.068 0.000 1.098 331 S CA -0.935 57.305 58.200 0.067 0.000 0.930 331 S CB 1.749 64.996 63.200 0.079 0.000 1.070 331 S HN 0.676 nan 8.310 nan 0.000 0.480 332 D N 1.767 122.205 120.400 0.063 0.000 2.411 332 D HA 0.185 4.825 4.640 0.000 0.000 0.251 332 D C 0.891 177.262 176.300 0.118 0.000 1.201 332 D CA -0.654 53.403 54.000 0.095 0.000 0.996 332 D CB 0.013 40.865 40.800 0.086 0.000 1.101 332 D HN 0.417 nan 8.370 nan 0.000 0.504 333 F N 0.180 120.141 119.950 0.018 0.000 2.171 333 F HA -0.135 4.392 4.527 0.000 0.000 0.300 333 F C 2.355 178.165 175.800 0.017 0.000 1.090 333 F CA 2.596 60.607 58.000 0.018 0.000 1.293 333 F CB -0.742 38.267 39.000 0.015 0.000 1.013 333 F HN 0.513 nan 8.300 nan 0.000 0.486 334 D N -0.858 119.608 120.400 0.109 0.000 2.104 334 D HA -0.198 4.442 4.640 0.000 0.000 0.194 334 D C 2.188 178.442 176.300 -0.077 0.000 0.994 334 D CA 1.802 55.811 54.000 0.014 0.000 0.830 334 D CB -1.043 39.794 40.800 0.063 0.000 0.959 334 D HN 0.417 nan 8.370 nan 0.000 0.452 335 S N -0.014 115.654 115.700 -0.054 0.000 2.383 335 S HA 0.173 4.643 4.470 0.000 0.000 0.227 335 S C 2.686 177.236 174.600 -0.084 0.000 1.026 335 S CA 1.062 59.220 58.200 -0.070 0.000 0.981 335 S CB -0.206 62.966 63.200 -0.047 0.000 0.818 335 S HN 0.790 nan 8.310 nan 0.000 0.472 336 A N 1.469 124.223 122.820 -0.111 0.000 1.940 336 A HA -0.090 4.230 4.320 0.000 0.000 0.219 336 A C 2.330 179.794 177.584 -0.200 0.000 1.176 336 A CA 1.844 53.803 52.037 -0.131 0.000 0.631 336 A CB -0.855 18.044 19.000 -0.167 0.000 0.814 336 A HN 0.427 nan 8.150 nan 0.000 0.446 337 S N -0.513 114.994 115.700 -0.322 0.000 2.368 337 S HA 0.002 4.472 4.470 0.000 0.000 0.224 337 S C 2.301 176.829 174.600 -0.120 0.000 1.029 337 S CA 1.087 59.122 58.200 -0.276 0.000 0.988 337 S CB -0.392 62.614 63.200 -0.324 0.000 0.838 337 S HN 0.796 nan 8.310 nan 0.000 0.462 338 A N 1.153 123.919 122.820 -0.091 0.000 1.933 338 A HA 0.004 4.325 4.320 0.000 0.000 0.218 338 A C 2.066 179.650 177.584 0.000 0.000 1.175 338 A CA 1.070 53.081 52.037 -0.043 0.000 0.628 338 A CB -0.618 18.336 19.000 -0.077 0.000 0.814 338 A HN 0.463 nan 8.150 nan 0.000 0.444 339 L N -1.033 120.196 121.223 0.010 0.000 2.056 339 L HA -0.183 4.158 4.340 0.000 0.000 0.207 339 L C 2.570 179.511 176.870 0.119 0.000 1.078 339 L CA 1.557 56.476 54.840 0.132 0.000 0.749 339 L CB -0.506 41.655 42.059 0.171 0.000 0.901 339 L HN 0.429 nan 8.230 nan 0.000 0.433 340 E N -0.119 120.088 120.200 0.011 0.000 2.058 340 E HA -0.217 4.133 4.350 0.000 0.000 0.194 340 E C 2.356 178.931 176.600 -0.042 0.000 0.997 340 E CA 1.202 57.575 56.400 -0.043 0.000 0.801 340 E CB 0.017 29.677 29.700 -0.066 0.000 0.746 340 E HN 0.364 nan 8.360 nan 0.000 0.450 341 R N 0.381 120.880 120.500 -0.003 0.000 2.070 341 R HA -0.113 4.227 4.340 0.000 0.000 0.233 341 R C 2.481 178.818 176.300 0.061 0.000 1.137 341 R CA 1.093 57.206 56.100 0.022 0.000 0.945 341 R CB -0.535 29.789 30.300 0.041 0.000 0.845 341 R HN 0.124 nan 8.270 nan 0.000 0.430 342 A N 1.775 124.685 122.820 0.150 0.000 1.884 342 A HA -0.262 4.058 4.320 0.000 0.000 0.219 342 A C 2.471 180.143 177.584 0.148 0.000 1.197 342 A CA 2.236 54.446 52.037 0.288 0.000 0.637 342 A CB -0.905 18.368 19.000 0.454 0.000 0.827 342 A HN 0.457 nan 8.150 nan 0.000 0.450 343 A N -0.887 121.806 122.820 -0.210 0.000 1.902 343 A HA 0.007 4.327 4.320 0.000 0.000 0.217 343 A C 2.496 179.885 177.584 -0.325 0.000 1.181 343 A CA 3.041 54.585 52.037 -0.822 0.000 0.623 343 A CB -1.018 17.373 19.000 -1.014 0.000 0.818 343 A HN 0.835 nan 8.150 nan 0.000 0.443 344 R N -0.814 119.588 120.500 -0.163 0.000 2.073 344 R HA -0.099 4.241 4.340 0.000 0.000 0.234 344 R C 2.311 178.591 176.300 -0.034 0.000 1.134 344 R CA 2.462 58.511 56.100 -0.085 0.000 0.952 344 R CB -2.218 28.050 30.300 -0.055 0.000 0.850 344 R HN 0.591 nan 8.270 nan 0.000 0.433 345 T N 0.158 114.719 114.554 0.012 0.000 2.607 345 T HA -0.144 4.206 4.350 0.000 0.000 0.267 345 T C 1.790 176.531 174.700 0.069 0.000 1.049 345 T CA 1.502 63.629 62.100 0.045 0.000 1.162 345 T CB -0.507 68.413 68.868 0.086 0.000 0.863 345 T HN 0.441 nan 8.240 nan 0.000 0.424 346 F N 2.287 122.206 119.950 -0.050 0.000 2.095 346 F HA -0.188 4.339 4.527 0.000 0.000 0.298 346 F C 2.503 178.254 175.800 -0.082 0.000 1.104 346 F CA 1.167 59.144 58.000 -0.038 0.000 1.232 346 F CB -0.209 38.821 39.000 0.050 0.000 0.987 346 F HN 0.121 nan 8.300 nan 0.000 0.475 347 N N 0.358 119.057 118.700 -0.002 0.000 2.104 347 N HA -0.196 4.544 4.740 0.000 0.000 0.190 347 N C 1.937 177.399 175.510 -0.080 0.000 1.024 347 N CA 1.406 54.425 53.050 -0.053 0.000 0.853 347 N CB -0.581 37.881 38.487 -0.041 0.000 1.008 347 N HN 0.364 nan 8.380 nan 0.000 0.424 348 A N 1.666 124.444 122.820 -0.070 0.000 1.873 348 A HA -0.120 4.200 4.320 0.000 0.000 0.215 348 A C 2.046 179.567 177.584 -0.104 0.000 1.186 348 A CA 1.227 53.222 52.037 -0.070 0.000 0.616 348 A CB -0.346 18.623 19.000 -0.051 0.000 0.823 348 A HN 0.295 nan 8.150 nan 0.000 0.442 349 E N -1.005 119.112 120.200 -0.139 0.000 2.216 349 E HA -0.038 4.313 4.350 0.000 0.000 0.192 349 E C 1.502 177.962 176.600 -0.233 0.000 0.988 349 E CA 0.738 57.037 56.400 -0.168 0.000 0.834 349 E CB -0.117 29.492 29.700 -0.152 0.000 0.772 349 E HN 0.474 nan 8.360 nan 0.000 0.479 350 M N 0.373 119.772 119.600 -0.334 0.000 2.509 350 M HA 0.125 4.606 4.480 0.000 0.000 0.250 350 M C 1.159 177.329 176.300 -0.217 0.000 1.132 350 M CA 0.158 55.231 55.300 -0.379 0.000 1.080 350 M CB -0.422 31.763 32.600 -0.691 0.000 1.408 350 M HN -0.133 nan 8.290 nan 0.000 0.484 351 G N 1.113 109.824 108.800 -0.149 0.000 2.559 351 G HA2 0.339 4.299 3.960 0.000 0.000 0.235 351 G HA3 0.339 4.299 3.960 0.000 0.000 0.235 351 G C 0.421 175.287 174.900 -0.057 0.000 1.266 351 G CA -0.260 44.794 45.100 -0.077 0.000 0.847 351 G HN 0.248 nan 8.290 nan 0.000 0.583 352 V N 0.000 119.901 119.914 -0.021 0.000 2.409 352 V HA 0.000 4.120 4.120 0.000 0.000 0.244 352 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 352 V CB 0.000 31.816 31.823 -0.011 0.000 1.184 352 V HN 0.000 nan 8.190 nan 0.000 0.556