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 1rq1_1_A DATA FIRST_RESID 54 DATA SEQUENCE GSFNELNAIN ENIRDDLSAL LKSDFFKYFR LDLYKQcSFW XXXXXLcLNR DATA SEQUENCE AcSVDVVEDW DTLPEYWQPE ILGSFNNDTM KEADDSDDEc KFLDQLcQTS DATA SEQUENCE KKXXXXXXXX XYcDVNDFNG KNAVLIDLTA NPERFTGYGG KQAGQIWSTI DATA SEQUENCE YQDNCFTIGE TGESLAKDAF YRLVSGFHAS IGTHLSKEYL NTKTGKWEPN DATA SEQUENCE LDLFMARIGN FPDRVTNMYF NYAVVAKALW KIQPYLPEFS FcDLVNKEIK DATA SEQUENCE NKMDNVISQL DTKIFNEDLV FANDLSLTLK DEFRSRFXNV TKIMDcVQCD DATA SEQUENCE RCRLWGKIQT TGYATALKIL FEINDADEFT KQHIVGKLTK YELIALLQTF DATA SEQUENCE GRLSESIESV NMFEKMYGKR 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 54 G HA2 0.000 nan 3.960 nan 0.000 0.244 54 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 54 G C 0.000 174.932 174.900 0.053 0.000 0.946 54 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 55 S N 1.104 116.881 115.700 0.128 0.000 2.537 55 S HA 0.056 4.526 4.470 -0.000 0.000 0.240 55 S C 1.907 176.620 174.600 0.189 0.000 0.981 55 S CA 1.154 59.434 58.200 0.133 0.000 0.948 55 S CB -0.490 62.782 63.200 0.120 0.000 0.759 55 S HN 0.211 nan 8.310 nan 0.000 0.531 56 F N 3.438 123.316 119.950 -0.120 0.000 2.111 56 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 56 F C 2.347 178.105 175.800 -0.070 0.000 1.088 56 F CA 0.964 58.808 58.000 -0.261 0.000 1.243 56 F CB -1.009 37.726 39.000 -0.441 0.000 0.996 56 F HN 0.294 nan 8.300 nan 0.000 0.483 57 N N -0.029 118.759 118.700 0.147 0.000 2.120 57 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 57 N C 1.954 177.502 175.510 0.065 0.000 1.024 57 N CA 1.303 54.406 53.050 0.088 0.000 0.852 57 N CB -0.553 37.966 38.487 0.053 0.000 1.003 57 N HN 0.454 nan 8.380 nan 0.000 0.424 58 E N 1.024 121.258 120.200 0.056 0.000 2.031 58 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 58 E C 2.142 178.763 176.600 0.035 0.000 0.994 58 E CA 0.696 57.112 56.400 0.027 0.000 0.800 58 E CB -0.011 29.688 29.700 -0.000 0.000 0.752 58 E HN 0.263 nan 8.360 nan 0.000 0.447 59 L N 1.067 122.329 121.223 0.064 0.000 2.083 59 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 59 L C 2.253 179.097 176.870 -0.043 0.000 1.083 59 L CA 0.751 55.618 54.840 0.046 0.000 0.752 59 L CB -0.554 41.546 42.059 0.069 0.000 0.899 59 L HN 0.183 nan 8.230 nan 0.000 0.433 60 N N 0.271 118.985 118.700 0.024 0.000 2.188 60 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 60 N C 1.903 177.406 175.510 -0.011 0.000 1.018 60 N CA 1.497 54.544 53.050 -0.006 0.000 0.858 60 N CB -0.058 38.468 38.487 0.065 0.000 0.989 60 N HN 0.326 nan 8.380 nan 0.000 0.426 61 A N 1.693 124.520 122.820 0.013 0.000 1.855 61 A HA -0.051 4.268 4.320 -0.000 0.000 0.215 61 A C 2.328 179.925 177.584 0.021 0.000 1.191 61 A CA 0.825 52.870 52.037 0.013 0.000 0.613 61 A CB -0.699 18.310 19.000 0.015 0.000 0.829 61 A HN 0.163 nan 8.150 nan 0.000 0.442 62 I N -0.162 120.431 120.570 0.038 0.000 2.208 62 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 62 I C 2.432 178.613 176.117 0.107 0.000 1.097 62 I CA 1.895 63.245 61.300 0.083 0.000 1.363 62 I CB -0.429 37.646 38.000 0.126 0.000 1.051 62 I HN 0.439 nan 8.210 nan 0.000 0.413 63 N N 0.567 119.302 118.700 0.058 0.000 2.188 63 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 63 N C 1.752 177.255 175.510 -0.012 0.000 1.018 63 N CA 1.145 54.206 53.050 0.018 0.000 0.858 63 N CB 0.092 38.456 38.487 -0.204 0.000 0.989 63 N HN 0.184 nan 8.380 nan 0.000 0.426 64 E N 0.253 120.441 120.200 -0.020 0.000 2.152 64 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 64 E C 1.098 177.699 176.600 0.001 0.000 0.983 64 E CA 0.562 56.950 56.400 -0.020 0.000 0.818 64 E CB -0.420 29.267 29.700 -0.020 0.000 0.758 64 E HN 0.474 nan 8.360 nan 0.000 0.467 65 N N 0.353 119.065 118.700 0.021 0.000 2.512 65 N HA -0.024 4.715 4.740 -0.000 0.000 0.183 65 N C 1.596 177.131 175.510 0.042 0.000 1.073 65 N CA 0.551 53.619 53.050 0.030 0.000 0.911 65 N CB 0.382 38.893 38.487 0.041 0.000 0.964 65 N HN 0.243 nan 8.380 nan 0.000 0.447 66 I N -0.624 119.976 120.570 0.049 0.000 4.312 66 I HA 0.049 4.219 4.170 -0.000 0.000 0.324 66 I C 2.023 178.157 176.117 0.029 0.000 1.298 66 I CA -0.101 61.237 61.300 0.063 0.000 1.231 66 I CB 0.473 38.548 38.000 0.125 0.000 1.152 66 I HN -0.173 nan 8.210 nan 0.000 0.421 67 R N 1.741 122.239 120.500 -0.003 0.000 2.159 67 R HA -0.265 4.074 4.340 -0.000 0.000 0.249 67 R C 1.631 177.917 176.300 -0.023 0.000 1.136 67 R CA 2.432 58.511 56.100 -0.034 0.000 0.951 67 R CB -0.469 29.800 30.300 -0.051 0.000 0.876 67 R HN 0.301 nan 8.270 nan 0.000 0.440 68 D N -0.064 120.330 120.400 -0.011 0.000 2.084 68 D HA -0.136 4.504 4.640 -0.000 0.000 0.196 68 D C 1.503 177.807 176.300 0.006 0.000 0.985 68 D CA 1.458 55.455 54.000 -0.005 0.000 0.826 68 D CB -0.482 40.317 40.800 -0.001 0.000 0.978 68 D HN 0.298 nan 8.370 nan 0.000 0.456 69 D N 0.419 120.830 120.400 0.018 0.000 2.149 69 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 69 D C 2.208 178.525 176.300 0.027 0.000 0.990 69 D CA 0.375 54.392 54.000 0.028 0.000 0.839 69 D CB -0.230 40.594 40.800 0.040 0.000 0.948 69 D HN 0.127 nan 8.370 nan 0.000 0.460 70 L N 0.408 121.645 121.223 0.022 0.000 2.093 70 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 70 L C 2.240 179.099 176.870 -0.018 0.000 1.085 70 L CA 1.343 56.188 54.840 0.007 0.000 0.755 70 L CB -0.521 41.542 42.059 0.006 0.000 0.904 70 L HN -0.146 nan 8.230 nan 0.000 0.435 71 S N -1.071 114.619 115.700 -0.016 0.000 2.406 71 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 71 S C 2.098 176.703 174.600 0.008 0.000 1.020 71 S CA 0.976 59.167 58.200 -0.015 0.000 0.965 71 S CB -0.262 62.925 63.200 -0.022 0.000 0.798 71 S HN 0.620 nan 8.310 nan 0.000 0.488 72 A N 1.392 124.223 122.820 0.018 0.000 1.872 72 A HA 0.071 4.390 4.320 -0.000 0.000 0.214 72 A C 2.079 179.704 177.584 0.067 0.000 1.187 72 A CA 1.423 53.483 52.037 0.038 0.000 0.614 72 A CB -0.925 18.096 19.000 0.036 0.000 0.826 72 A HN 0.529 nan 8.150 nan 0.000 0.442 73 L N 0.074 121.335 121.223 0.063 0.000 2.012 73 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 73 L C 2.202 179.161 176.870 0.148 0.000 1.073 73 L CA 1.751 56.656 54.840 0.109 0.000 0.748 73 L CB -0.599 41.476 42.059 0.026 0.000 0.891 73 L HN 0.411 nan 8.230 nan 0.000 0.431 74 L N -1.006 120.235 121.223 0.029 0.000 2.362 74 L HA -0.188 4.152 4.340 -0.000 0.000 0.219 74 L C 2.138 179.085 176.870 0.128 0.000 1.134 74 L CA 0.995 55.866 54.840 0.052 0.000 0.807 74 L CB -0.439 41.618 42.059 -0.003 0.000 0.927 74 L HN 0.294 nan 8.230 nan 0.000 0.447 75 K N -0.350 120.111 120.400 0.103 0.000 2.393 75 K HA 0.045 4.365 4.320 -0.000 0.000 0.193 75 K C 1.069 177.723 176.600 0.090 0.000 1.026 75 K CA -0.021 56.308 56.287 0.069 0.000 1.064 75 K CB 0.276 32.802 32.500 0.042 0.000 0.833 75 K HN 0.269 nan 8.250 nan 0.000 0.521 76 S N 0.849 116.654 115.700 0.175 0.000 2.576 76 S HA -0.080 4.390 4.470 -0.000 0.000 0.272 76 S C 1.020 175.723 174.600 0.173 0.000 1.352 76 S CA -0.433 57.882 58.200 0.192 0.000 1.021 76 S CB 1.075 64.444 63.200 0.282 0.000 0.887 76 S HN 0.209 nan 8.310 nan 0.000 0.542 77 D N 0.658 121.155 120.400 0.162 0.000 2.149 77 D HA -0.197 4.443 4.640 -0.000 0.000 0.198 77 D C 1.466 177.889 176.300 0.204 0.000 0.990 77 D CA 1.185 55.298 54.000 0.189 0.000 0.839 77 D CB -0.139 40.777 40.800 0.192 0.000 0.948 77 D HN 0.669 nan 8.370 nan 0.000 0.460 78 F N -0.286 119.665 119.950 0.001 0.000 2.171 78 F HA -0.106 4.421 4.527 -0.001 0.000 0.300 78 F C 1.575 177.208 175.800 -0.279 0.000 1.090 78 F CA 1.374 59.267 58.000 -0.178 0.000 1.293 78 F CB -0.165 38.634 39.000 -0.335 0.000 1.013 78 F HN -0.097 nan 8.300 nan 0.000 0.486 79 F N -0.019 120.077 119.950 0.243 0.000 2.717 79 F HA 0.123 4.650 4.527 -0.000 0.000 0.297 79 F C 2.116 177.925 175.800 0.014 0.000 1.113 79 F CA -0.011 58.068 58.000 0.131 0.000 1.319 79 F CB -0.255 38.861 39.000 0.194 0.000 1.097 79 F HN -0.187 nan 8.300 nan 0.000 0.595 80 K N 0.489 120.937 120.400 0.081 0.000 2.362 80 K HA -0.100 4.219 4.320 -0.000 0.000 0.200 80 K C -0.539 175.845 176.600 -0.360 0.000 1.046 80 K CA 1.000 57.177 56.287 -0.182 0.000 0.952 80 K CB -0.270 32.008 32.500 -0.371 0.000 0.753 80 K HN 0.218 nan 8.250 nan 0.000 0.466 81 Y N -0.127 120.193 120.300 0.033 0.000 2.446 81 Y HA 0.471 5.021 4.550 -0.000 0.000 0.338 81 Y C -0.679 175.245 175.900 0.041 0.000 1.055 81 Y CA -1.487 56.611 58.100 -0.004 0.000 1.101 81 Y CB 1.273 39.694 38.460 -0.066 0.000 1.221 81 Y HN -0.097 nan 8.280 nan 0.000 0.460 82 F N 2.672 122.619 119.950 -0.005 0.000 2.556 82 F HA 0.497 5.024 4.527 -0.000 0.000 0.314 82 F C -0.489 175.289 175.800 -0.038 0.000 1.106 82 F CA -1.382 56.568 58.000 -0.083 0.000 0.911 82 F CB 1.410 40.278 39.000 -0.221 0.000 1.190 82 F HN 0.419 nan 8.300 nan 0.000 0.448 83 R N 5.862 125.981 120.500 -0.635 0.000 2.267 83 R HA 0.563 4.902 4.340 -0.000 0.000 0.319 83 R C -1.920 174.151 176.300 -0.381 0.000 1.067 83 R CA -0.394 55.463 56.100 -0.405 0.000 0.936 83 R CB 0.569 30.664 30.300 -0.342 0.000 1.006 83 R HN 0.748 nan 8.270 nan 0.000 0.452 84 L N 4.161 125.293 121.223 -0.151 0.000 2.436 84 L HA 0.303 4.642 4.340 -0.000 0.000 0.268 84 L C -1.216 175.656 176.870 0.004 0.000 0.974 84 L CA -0.617 54.213 54.840 -0.017 0.000 0.826 84 L CB 1.878 43.968 42.059 0.052 0.000 1.291 84 L HN 0.569 nan 8.230 nan 0.000 0.406 85 D N 3.879 124.308 120.400 0.048 0.000 2.371 85 D HA 0.132 4.772 4.640 -0.000 0.000 0.256 85 D C 1.054 177.409 176.300 0.091 0.000 1.193 85 D CA 0.238 54.283 54.000 0.075 0.000 0.881 85 D CB 1.047 41.903 40.800 0.095 0.000 1.143 85 D HN 0.639 nan 8.370 nan 0.000 0.473 86 L N 3.183 124.447 121.223 0.068 0.000 2.201 86 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 86 L C 0.452 177.283 176.870 -0.064 0.000 1.105 86 L CA 0.668 55.503 54.840 -0.007 0.000 0.775 86 L CB -0.210 41.789 42.059 -0.099 0.000 0.913 86 L HN 0.457 nan 8.230 nan 0.000 0.440 87 Y N 1.070 121.392 120.300 0.036 0.000 2.304 87 Y HA 0.209 4.759 4.550 -0.001 0.000 0.328 87 Y C 0.446 176.370 175.900 0.040 0.000 1.123 87 Y CA -0.511 57.608 58.100 0.033 0.000 1.218 87 Y CB 0.767 39.240 38.460 0.022 0.000 1.207 87 Y HN -0.004 nan 8.280 nan 0.000 0.495 88 K N 1.669 122.181 120.400 0.187 0.000 2.371 88 K HA 0.568 4.888 4.320 -0.000 0.000 0.251 88 K C -1.386 175.297 176.600 0.139 0.000 0.934 88 K CA -1.329 55.041 56.287 0.138 0.000 0.798 88 K CB 2.133 34.688 32.500 0.092 0.000 1.204 88 K HN 0.446 nan 8.250 nan 0.000 0.427 89 Q N 2.292 122.172 119.800 0.132 0.000 2.508 89 Q HA 0.193 4.533 4.340 -0.000 0.000 0.247 89 Q C -1.507 174.597 176.000 0.173 0.000 1.047 89 Q CA -0.479 55.402 55.803 0.130 0.000 0.783 89 Q CB 1.004 29.803 28.738 0.102 0.000 1.172 89 Q HN 0.770 nan 8.270 nan 0.000 0.515 90 c N 4.119 122.831 118.600 0.186 0.000 2.252 90 c HA 0.463 5.033 4.570 -0.000 0.000 0.342 90 c C 1.116 175.383 174.090 0.295 0.000 1.110 90 c CA 0.316 56.811 56.329 0.278 0.000 1.581 90 c CB -1.291 41.375 42.510 0.259 0.000 2.087 90 c HN 0.898 nan 8.230 nan 0.000 0.500 91 S N 2.952 118.844 115.700 0.320 0.000 2.577 91 S HA 0.181 4.651 4.470 -0.000 0.000 0.219 91 S C 0.487 175.044 174.600 -0.071 0.000 0.962 91 S CA -0.058 58.192 58.200 0.085 0.000 0.921 91 S CB -0.406 62.753 63.200 -0.069 0.000 0.789 91 S HN 0.700 nan 8.310 nan 0.000 0.497 92 F N 0.738 120.649 119.950 -0.065 0.000 2.693 92 F HA 0.505 5.032 4.527 -0.001 0.000 0.303 92 F C 0.649 176.087 175.800 -0.603 0.000 1.097 92 F CA -0.943 56.822 58.000 -0.393 0.000 1.330 92 F CB -0.021 38.624 39.000 -0.591 0.000 1.067 92 F HN 0.285 nan 8.300 nan 0.000 0.565 100 c N 5.027 123.467 118.600 -0.267 0.000 2.629 100 c HA 0.391 4.961 4.570 -0.000 0.000 0.410 100 c C 1.648 175.665 174.090 -0.122 0.000 1.339 100 c CA -0.170 56.071 56.329 -0.146 0.000 1.810 100 c CB -0.677 41.764 42.510 -0.115 0.000 2.549 100 c HN 0.829 nan 8.230 nan 0.000 0.589 101 L N 4.172 125.350 121.223 -0.076 0.000 2.609 101 L HA 0.180 4.519 4.340 -0.000 0.000 0.230 101 L C 0.904 177.752 176.870 -0.037 0.000 1.064 101 L CA 0.024 54.832 54.840 -0.053 0.000 0.873 101 L CB -0.487 41.549 42.059 -0.039 0.000 1.139 101 L HN 0.645 nan 8.230 nan 0.000 0.490 102 N N 1.759 120.438 118.700 -0.033 0.000 2.454 102 N HA -0.016 4.724 4.740 -0.000 0.000 0.254 102 N C 1.082 176.574 175.510 -0.030 0.000 1.228 102 N CA 0.052 53.086 53.050 -0.027 0.000 0.900 102 N CB 0.899 39.374 38.487 -0.019 0.000 1.089 102 N HN 0.222 nan 8.380 nan 0.000 0.449 103 R N 1.320 121.800 120.500 -0.034 0.000 2.159 103 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 103 R C 1.597 177.876 176.300 -0.035 0.000 1.131 103 R CA 1.584 57.654 56.100 -0.049 0.000 0.982 103 R CB -0.499 29.758 30.300 -0.071 0.000 0.868 103 R HN 0.529 nan 8.270 nan 0.000 0.453 104 A N 1.201 124.012 122.820 -0.015 0.000 2.076 104 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 104 A C 1.889 179.475 177.584 0.004 0.000 1.160 104 A CA 1.262 53.302 52.037 0.005 0.000 0.653 104 A CB -0.575 18.431 19.000 0.009 0.000 0.801 104 A HN 0.766 nan 8.150 nan 0.000 0.455 105 c N -3.994 114.595 118.600 -0.017 0.000 3.226 105 c HA 0.646 5.215 4.570 -0.000 0.000 0.258 105 c C 1.156 175.212 174.090 -0.056 0.000 1.688 105 c CA 0.191 56.503 56.329 -0.028 0.000 1.774 105 c CB -0.677 41.813 42.510 -0.034 0.000 3.167 105 c HN 0.235 nan 8.230 nan 0.000 0.509 106 S N 0.046 115.715 115.700 -0.052 0.000 2.733 106 S HA 0.268 4.738 4.470 -0.000 0.000 0.247 106 S C 0.360 174.910 174.600 -0.082 0.000 1.043 106 S CA 0.049 58.208 58.200 -0.068 0.000 1.066 106 S CB 0.718 63.936 63.200 0.030 0.000 1.045 106 S HN 0.457 nan 8.310 nan 0.000 0.586 107 V N 2.394 122.271 119.914 -0.061 0.000 2.713 107 V HA 0.425 4.545 4.120 -0.000 0.000 0.307 107 V C -0.246 175.902 176.094 0.091 0.000 1.052 107 V CA -1.033 61.233 62.300 -0.056 0.000 0.967 107 V CB 1.571 33.286 31.823 -0.179 0.000 1.019 107 V HN 0.161 nan 8.190 nan 0.000 0.459 108 D N 1.146 121.685 120.400 0.232 0.000 2.302 108 D HA 0.205 4.844 4.640 -0.000 0.000 0.248 108 D C 0.891 177.466 176.300 0.460 0.000 1.094 108 D CA -0.276 53.916 54.000 0.319 0.000 0.897 108 D CB 2.070 43.110 40.800 0.400 0.000 1.200 108 D HN 0.255 nan 8.370 nan 0.000 0.429 109 V N 2.609 122.683 119.914 0.267 0.000 2.970 109 V HA -0.140 3.980 4.120 -0.000 0.000 0.260 109 V C 2.520 178.677 176.094 0.105 0.000 1.100 109 V CA 0.366 62.778 62.300 0.188 0.000 1.122 109 V CB -0.686 31.198 31.823 0.101 0.000 0.721 109 V HN 0.475 nan 8.190 nan 0.000 0.483 110 V N -0.349 119.660 119.914 0.160 0.000 2.418 110 V HA -0.220 3.899 4.120 -0.000 0.000 0.258 110 V C 1.128 177.168 176.094 -0.090 0.000 1.088 110 V CA 1.771 64.122 62.300 0.084 0.000 1.091 110 V CB -0.539 31.430 31.823 0.243 0.000 0.669 110 V HN 0.669 nan 8.190 nan 0.000 0.461 111 E N -0.786 119.208 120.200 -0.343 0.000 2.312 111 E HA 0.284 4.634 4.350 -0.000 0.000 0.267 111 E C -0.841 175.280 176.600 -0.798 0.000 0.894 111 E CA -0.639 55.326 56.400 -0.725 0.000 0.773 111 E CB 1.601 30.478 29.700 -1.371 0.000 1.241 111 E HN 0.062 nan 8.360 nan 0.000 0.432 112 D N 1.874 121.987 120.400 -0.477 0.000 2.522 112 D HA 0.062 4.701 4.640 -0.000 0.000 0.218 112 D C 0.421 176.599 176.300 -0.203 0.000 1.149 112 D CA -0.267 53.583 54.000 -0.250 0.000 0.981 112 D CB -0.094 40.638 40.800 -0.114 0.000 1.041 112 D HN 0.417 nan 8.370 nan 0.000 0.518 113 W N 2.068 123.407 121.300 0.065 0.000 2.318 113 W HA -0.173 4.486 4.660 -0.000 0.000 0.313 113 W C 1.882 178.425 176.519 0.041 0.000 1.221 113 W CA 0.370 57.752 57.345 0.062 0.000 1.266 113 W CB -0.159 29.335 29.460 0.056 0.000 1.150 113 W HN 0.320 nan 8.180 nan 0.000 0.496 114 D N -0.567 119.968 120.400 0.226 0.000 2.357 114 D HA -0.135 4.504 4.640 -0.000 0.000 0.216 114 D C 1.760 178.108 176.300 0.081 0.000 0.973 114 D CA 1.642 55.720 54.000 0.130 0.000 0.912 114 D CB -0.424 40.431 40.800 0.091 0.000 0.900 114 D HN 0.224 nan 8.370 nan 0.000 0.501 115 T N 0.386 114.982 114.554 0.070 0.000 3.009 115 T HA 0.087 4.437 4.350 -0.000 0.000 0.258 115 T C 1.219 175.948 174.700 0.049 0.000 1.063 115 T CA 0.057 62.179 62.100 0.037 0.000 1.139 115 T CB 0.465 69.338 68.868 0.008 0.000 0.890 115 T HN 0.029 nan 8.240 nan 0.000 0.471 116 L N 2.380 123.663 121.223 0.101 0.000 2.456 116 L HA 0.345 4.684 4.340 -0.000 0.000 0.257 116 L C -1.853 175.012 176.870 -0.009 0.000 1.162 116 L CA -2.275 52.646 54.840 0.135 0.000 0.808 116 L CB 0.028 42.288 42.059 0.335 0.000 1.136 116 L HN -0.002 nan 8.230 nan 0.000 0.466 117 P HA 0.059 nan 4.420 nan 0.000 0.272 117 P C -0.100 176.893 177.300 -0.511 0.000 1.230 117 P CA -0.268 62.482 63.100 -0.584 0.000 0.788 117 P CB 0.807 31.730 31.700 -1.294 0.000 0.949 118 E N 0.507 120.452 120.200 -0.425 0.000 2.097 118 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 118 E C 1.459 177.992 176.600 -0.112 0.000 1.000 118 E CA 1.611 57.903 56.400 -0.181 0.000 0.804 118 E CB -0.623 29.034 29.700 -0.072 0.000 0.740 118 E HN 0.625 nan 8.360 nan 0.000 0.454 119 Y N -3.005 117.309 120.300 0.024 0.000 2.619 119 Y HA -0.012 4.538 4.550 -0.000 0.000 0.308 119 Y C 0.755 176.855 175.900 0.334 0.000 1.192 119 Y CA -0.265 57.893 58.100 0.096 0.000 1.319 119 Y CB -0.386 38.085 38.460 0.018 0.000 1.030 119 Y HN 0.073 nan 8.280 nan 0.000 0.517 120 W N 0.775 122.072 121.300 -0.005 0.000 2.702 120 W HA 0.306 4.966 4.660 -0.001 0.000 0.369 120 W C -0.017 176.599 176.519 0.162 0.000 0.987 120 W CA -1.114 56.306 57.345 0.124 0.000 1.702 120 W CB 0.043 29.549 29.460 0.077 0.000 1.138 120 W HN -0.053 nan 8.180 nan 0.000 0.552 121 Q N 0.528 120.475 119.800 0.245 0.000 2.368 121 Q HA 0.094 4.434 4.340 -0.000 0.000 0.237 121 Q C -1.266 174.613 176.000 -0.202 0.000 0.987 121 Q CA -1.334 54.479 55.803 0.017 0.000 0.896 121 Q CB 0.322 29.044 28.738 -0.027 0.000 1.241 121 Q HN -0.104 nan 8.270 nan 0.000 0.485 122 P HA -0.194 nan 4.420 nan 0.000 0.217 122 P C 0.548 177.688 177.300 -0.266 0.000 1.151 122 P CA 1.410 64.194 63.100 -0.527 0.000 0.849 122 P CB 0.357 31.638 31.700 -0.698 0.000 0.787 123 E N -1.489 118.586 120.200 -0.209 0.000 2.209 123 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 123 E C 1.566 178.115 176.600 -0.085 0.000 0.993 123 E CA 1.012 57.329 56.400 -0.137 0.000 0.819 123 E CB -0.569 29.070 29.700 -0.102 0.000 0.745 123 E HN 0.262 nan 8.360 nan 0.000 0.477 124 I N -0.766 119.787 120.570 -0.028 0.000 2.927 124 I HA -0.039 4.130 4.170 -0.000 0.000 0.268 124 I C 1.719 177.875 176.117 0.065 0.000 1.153 124 I CA 0.457 61.785 61.300 0.047 0.000 1.459 124 I CB -0.085 38.000 38.000 0.142 0.000 1.149 124 I HN 0.052 nan 8.210 nan 0.000 0.443 125 L N 0.148 121.407 121.223 0.060 0.000 2.131 125 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 125 L C 2.070 178.936 176.870 -0.006 0.000 1.092 125 L CA 1.507 56.403 54.840 0.093 0.000 0.759 125 L CB -0.834 41.262 42.059 0.061 0.000 0.903 125 L HN 0.393 nan 8.230 nan 0.000 0.435 126 G N -1.041 107.701 108.800 -0.097 0.000 3.189 126 G HA2 0.031 3.990 3.960 -0.000 0.000 0.225 126 G HA3 0.031 3.990 3.960 -0.000 0.000 0.225 126 G C 0.586 175.348 174.900 -0.229 0.000 1.159 126 G CA 0.256 45.261 45.100 -0.159 0.000 0.763 126 G HN 0.378 nan 8.290 nan 0.000 0.549 127 S N -0.329 115.269 115.700 -0.170 0.000 2.652 127 S HA 0.665 5.135 4.470 -0.000 0.000 0.270 127 S C -0.134 174.392 174.600 -0.125 0.000 1.243 127 S CA -0.821 57.242 58.200 -0.228 0.000 0.999 127 S CB 1.104 64.242 63.200 -0.103 0.000 0.973 127 S HN 0.055 nan 8.310 nan 0.000 0.544 128 F N 0.769 120.723 119.950 0.007 0.000 2.403 128 F HA 0.251 4.778 4.527 -0.000 0.000 0.320 128 F C 1.386 177.202 175.800 0.026 0.000 1.176 128 F CA -0.734 57.278 58.000 0.020 0.000 1.206 128 F CB 0.512 39.520 39.000 0.013 0.000 1.235 128 F HN 0.607 nan 8.300 nan 0.000 0.565 129 N N 2.665 121.517 118.700 0.254 0.000 2.968 129 N HA -0.030 4.710 4.740 -0.000 0.000 0.271 129 N C 0.625 176.208 175.510 0.121 0.000 1.174 129 N CA -0.367 52.770 53.050 0.145 0.000 1.096 129 N CB -0.026 38.526 38.487 0.107 0.000 1.403 129 N HN 0.570 nan 8.380 nan 0.000 0.522 130 N N 2.447 121.222 118.700 0.125 0.000 1.766 130 N HA -0.373 4.367 4.740 -0.000 0.000 0.130 130 N C 0.665 176.210 175.510 0.058 0.000 0.518 130 N CA 2.393 55.497 53.050 0.091 0.000 0.812 130 N CB -0.833 37.694 38.487 0.068 0.000 0.765 130 N HN 0.557 nan 8.380 nan 0.000 1.327 131 D N -0.232 120.198 120.400 0.051 0.000 2.400 131 D HA -0.066 4.574 4.640 -0.000 0.000 0.242 131 D C 0.431 176.754 176.300 0.038 0.000 1.077 131 D CA 1.225 55.248 54.000 0.038 0.000 0.943 131 D CB -0.835 39.988 40.800 0.039 0.000 0.882 131 D HN 0.693 nan 8.370 nan 0.000 0.529 132 T N -1.660 112.916 114.554 0.036 0.000 3.308 132 T HA 0.406 4.756 4.350 -0.000 0.000 0.270 132 T C 0.452 175.156 174.700 0.006 0.000 0.992 132 T CA -0.905 61.216 62.100 0.035 0.000 0.931 132 T CB -0.654 68.238 68.868 0.040 0.000 1.142 132 T HN 0.279 nan 8.240 nan 0.000 0.525 133 M N 0.043 119.635 119.600 -0.014 0.000 2.221 133 M HA 0.511 4.991 4.480 -0.000 0.000 0.259 133 M C -1.112 175.150 176.300 -0.063 0.000 1.001 133 M CA -0.998 54.270 55.300 -0.053 0.000 1.009 133 M CB 1.853 34.381 32.600 -0.120 0.000 1.939 133 M HN 0.048 nan 8.290 nan 0.000 0.477 134 K N 0.654 120.999 120.400 -0.093 0.000 2.090 134 K HA 0.586 4.906 4.320 -0.000 0.000 0.250 134 K C -0.785 175.741 176.600 -0.123 0.000 1.004 134 K CA -0.777 55.438 56.287 -0.119 0.000 0.919 134 K CB 0.953 33.343 32.500 -0.182 0.000 1.045 134 K HN 0.506 nan 8.250 nan 0.000 0.471 135 E N 0.452 120.587 120.200 -0.107 0.000 2.384 135 E HA 0.163 4.512 4.350 -0.000 0.000 0.266 135 E C -0.283 176.240 176.600 -0.128 0.000 1.012 135 E CA 0.006 56.348 56.400 -0.097 0.000 0.901 135 E CB 0.914 30.567 29.700 -0.077 0.000 0.967 135 E HN 0.662 nan 8.360 nan 0.000 0.435 136 A N 2.077 124.822 122.820 -0.124 0.000 2.420 136 A HA 0.483 4.802 4.320 -0.000 0.000 0.291 136 A C 0.473 177.974 177.584 -0.138 0.000 1.228 136 A CA -0.105 51.841 52.037 -0.153 0.000 0.933 136 A CB 0.291 19.193 19.000 -0.164 0.000 1.428 136 A HN 0.659 nan 8.150 nan 0.000 0.493 137 D N -1.087 119.214 120.400 -0.166 0.000 3.061 137 D HA -0.191 4.448 4.640 -0.000 0.000 0.220 137 D C 0.770 176.998 176.300 -0.120 0.000 1.184 137 D CA 1.667 55.577 54.000 -0.150 0.000 0.922 137 D CB -0.575 40.152 40.800 -0.121 0.000 1.119 137 D HN 0.705 nan 8.370 nan 0.000 0.400 138 D N -1.295 119.034 120.400 -0.118 0.000 2.347 138 D HA -0.006 4.633 4.640 -0.000 0.000 0.215 138 D C 0.473 176.712 176.300 -0.102 0.000 0.976 138 D CA 0.492 54.433 54.000 -0.098 0.000 0.884 138 D CB 0.134 40.876 40.800 -0.097 0.000 0.915 138 D HN 0.189 nan 8.370 nan 0.000 0.526 139 S N 0.517 116.142 115.700 -0.125 0.000 2.572 139 S HA 0.185 4.655 4.470 -0.000 0.000 0.274 139 S C -0.643 173.864 174.600 -0.156 0.000 1.150 139 S CA -0.757 57.368 58.200 -0.125 0.000 0.944 139 S CB 1.630 64.749 63.200 -0.135 0.000 1.071 139 S HN 0.137 nan 8.310 nan 0.000 0.479 140 D N 2.692 123.015 120.400 -0.128 0.000 2.370 140 D HA 0.044 4.684 4.640 -0.000 0.000 0.230 140 D C 0.682 176.857 176.300 -0.210 0.000 1.143 140 D CA -0.160 53.744 54.000 -0.160 0.000 0.834 140 D CB 0.164 40.939 40.800 -0.043 0.000 0.944 140 D HN 0.628 nan 8.370 nan 0.000 0.504 141 D N 1.921 122.193 120.400 -0.214 0.000 2.104 141 D HA -0.226 4.414 4.640 -0.000 0.000 0.194 141 D C 1.476 177.588 176.300 -0.313 0.000 0.994 141 D CA 1.550 55.410 54.000 -0.234 0.000 0.830 141 D CB 0.282 40.958 40.800 -0.207 0.000 0.959 141 D HN 0.217 nan 8.370 nan 0.000 0.452 142 E N -0.813 119.166 120.200 -0.369 0.000 2.204 142 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 142 E C 1.959 178.224 176.600 -0.558 0.000 0.989 142 E CA 0.812 56.962 56.400 -0.417 0.000 0.824 142 E CB -0.266 29.185 29.700 -0.415 0.000 0.756 142 E HN 0.378 nan 8.360 nan 0.000 0.477 143 c N 1.067 119.245 118.600 -0.704 0.000 2.618 143 c HA 0.167 4.737 4.570 -0.000 0.000 0.264 143 c C 0.965 174.790 174.090 -0.442 0.000 1.334 143 c CA -0.629 55.196 56.329 -0.840 0.000 1.731 143 c CB -0.795 41.233 42.510 -0.802 0.000 1.852 143 c HN 0.229 nan 8.230 nan 0.000 0.566 144 K N 0.373 120.505 120.400 -0.446 0.000 2.107 144 K HA 0.408 4.727 4.320 -0.000 0.000 0.251 144 K C -0.505 175.852 176.600 -0.404 0.000 1.012 144 K CA -0.132 55.803 56.287 -0.586 0.000 0.920 144 K CB 0.514 32.669 32.500 -0.574 0.000 1.033 144 K HN 0.226 nan 8.250 nan 0.000 0.478 145 F N 1.219 121.033 119.950 -0.226 0.000 2.382 145 F HA 0.069 4.596 4.527 -0.001 0.000 0.331 145 F C 1.753 177.480 175.800 -0.121 0.000 1.121 145 F CA -0.717 57.203 58.000 -0.132 0.000 1.183 145 F CB 0.524 39.458 39.000 -0.110 0.000 1.207 145 F HN 0.330 nan 8.300 nan 0.000 0.555 146 L N 0.536 121.832 121.223 0.123 0.000 2.191 146 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 146 L C 1.735 178.673 176.870 0.113 0.000 1.103 146 L CA 0.830 55.705 54.840 0.058 0.000 0.769 146 L CB -0.503 41.551 42.059 -0.009 0.000 0.908 146 L HN 0.668 nan 8.230 nan 0.000 0.438 147 D N 0.683 121.147 120.400 0.107 0.000 2.116 147 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 147 D C 1.824 178.178 176.300 0.091 0.000 0.998 147 D CA 1.399 55.453 54.000 0.091 0.000 0.836 147 D CB 0.000 40.842 40.800 0.069 0.000 0.951 147 D HN 0.534 nan 8.370 nan 0.000 0.449 148 Q N -0.308 119.531 119.800 0.064 0.000 2.211 148 Q HA 0.214 4.554 4.340 -0.000 0.000 0.231 148 Q C 1.463 177.422 176.000 -0.068 0.000 0.865 148 Q CA -0.095 55.701 55.803 -0.012 0.000 0.997 148 Q CB 0.344 29.024 28.738 -0.097 0.000 1.101 148 Q HN 0.271 nan 8.270 nan 0.000 0.468 149 L N -0.389 120.825 121.223 -0.016 0.000 2.202 149 L HA 0.165 4.505 4.340 -0.000 0.000 0.205 149 L C 0.637 177.464 176.870 -0.073 0.000 1.083 149 L CA 0.356 55.179 54.840 -0.029 0.000 0.790 149 L CB 0.400 42.504 42.059 0.074 0.000 0.942 149 L HN 0.316 nan 8.230 nan 0.000 0.452 150 c N -0.802 117.750 118.600 -0.079 0.000 2.614 150 c HA 0.312 4.882 4.570 -0.000 0.000 0.320 150 c C 0.280 174.370 174.090 0.001 0.000 1.200 150 c CA -0.978 55.240 56.329 -0.186 0.000 1.700 150 c CB 1.694 43.854 42.510 -0.582 0.000 2.275 150 c HN 0.265 nan 8.230 nan 0.000 0.492 151 Q N 1.014 120.840 119.800 0.044 0.000 2.323 151 Q HA 0.169 4.509 4.340 -0.000 0.000 0.257 151 Q C 0.654 176.769 176.000 0.193 0.000 1.022 151 Q CA 0.352 56.222 55.803 0.112 0.000 0.919 151 Q CB 0.725 29.517 28.738 0.089 0.000 1.220 151 Q HN 0.876 nan 8.270 nan 0.000 0.427 152 T N 1.216 115.864 114.554 0.157 0.000 3.043 152 T HA 0.009 4.359 4.350 -0.000 0.000 0.263 152 T C -0.044 174.713 174.700 0.095 0.000 1.094 152 T CA 0.844 63.029 62.100 0.142 0.000 1.127 152 T CB 0.115 69.054 68.868 0.118 0.000 0.905 152 T HN 0.685 nan 8.240 nan 0.000 0.490 153 S N 0.319 116.071 115.700 0.087 0.000 2.556 153 S HA 0.376 4.846 4.470 -0.000 0.000 0.280 153 S C -1.189 173.448 174.600 0.061 0.000 1.141 153 S CA -1.235 57.004 58.200 0.064 0.000 0.883 153 S CB 1.698 64.931 63.200 0.055 0.000 1.103 153 S HN 0.202 nan 8.310 nan 0.000 0.453 154 K N 1.810 122.240 120.400 0.050 0.000 2.436 154 K HA 0.222 4.541 4.320 -0.000 0.000 0.282 154 K C -0.495 176.131 176.600 0.043 0.000 1.044 154 K CA 0.325 56.639 56.287 0.044 0.000 1.028 154 K CB 0.119 32.639 32.500 0.035 0.000 0.919 154 K HN 0.662 nan 8.250 nan 0.000 0.474 166 c N 0.788 119.377 118.600 -0.018 0.000 2.419 166 c HA -0.139 4.430 4.570 -0.000 0.000 0.283 166 c C 2.116 176.248 174.090 0.070 0.000 1.373 166 c CA 1.814 58.130 56.329 -0.022 0.000 1.781 166 c CB -0.533 41.898 42.510 -0.133 0.000 1.886 166 c HN 0.537 nan 8.230 nan 0.000 0.520 167 D N 0.443 120.847 120.400 0.007 0.000 2.202 167 D HA -0.033 4.607 4.640 -0.000 0.000 0.214 167 D C 2.127 178.430 176.300 0.005 0.000 0.967 167 D CA 1.005 55.002 54.000 -0.005 0.000 0.871 167 D CB -0.288 40.487 40.800 -0.041 0.000 1.020 167 D HN 0.304 nan 8.370 nan 0.000 0.474 168 V N 2.109 122.017 119.914 -0.010 0.000 2.688 168 V HA -0.156 3.964 4.120 -0.000 0.000 0.256 168 V C 1.381 177.510 176.094 0.058 0.000 1.084 168 V CA 1.287 63.593 62.300 0.010 0.000 1.103 168 V CB -0.420 31.385 31.823 -0.030 0.000 0.688 168 V HN 0.178 nan 8.190 nan 0.000 0.480 169 N N -1.082 117.658 118.700 0.067 0.000 2.187 169 N HA 0.084 4.824 4.740 -0.000 0.000 0.212 169 N C 0.151 175.653 175.510 -0.013 0.000 1.152 169 N CA 0.294 53.376 53.050 0.054 0.000 0.872 169 N CB 0.748 39.231 38.487 -0.007 0.000 1.025 169 N HN 0.379 nan 8.380 nan 0.000 0.514 170 D N -0.352 120.038 120.400 -0.016 0.000 3.102 170 D HA -0.150 4.490 4.640 -0.000 0.000 0.210 170 D C -0.886 175.269 176.300 -0.242 0.000 1.077 170 D CA 0.319 54.242 54.000 -0.129 0.000 0.969 170 D CB -1.504 39.190 40.800 -0.176 0.000 1.084 170 D HN 0.154 nan 8.370 nan 0.000 0.432 171 F N 1.868 121.725 119.950 -0.155 0.000 2.651 171 F HA 0.167 4.694 4.527 -0.000 0.000 0.347 171 F C 1.351 177.063 175.800 -0.147 0.000 1.284 171 F CA -0.203 57.674 58.000 -0.205 0.000 1.175 171 F CB -0.024 38.810 39.000 -0.277 0.000 1.542 171 F HN -0.177 nan 8.300 nan 0.000 0.661 172 N N 2.495 121.171 118.700 -0.041 0.000 3.091 172 N HA 0.073 4.813 4.740 -0.000 0.000 0.301 172 N C 0.582 176.081 175.510 -0.020 0.000 1.325 172 N CA -0.045 52.987 53.050 -0.030 0.000 1.143 172 N CB 0.641 39.100 38.487 -0.047 0.000 1.450 172 N HN 0.559 nan 8.380 nan 0.000 0.542 173 G N 0.405 109.203 108.800 -0.002 0.000 2.339 173 G HA2 0.136 4.096 3.960 -0.000 0.000 0.287 173 G HA3 0.136 4.096 3.960 -0.000 0.000 0.287 173 G C 0.863 175.767 174.900 0.006 0.000 1.163 173 G CA -0.470 44.635 45.100 0.009 0.000 0.872 173 G HN 0.140 nan 8.290 nan 0.000 0.464 174 K N 1.656 122.063 120.400 0.012 0.000 1.969 174 K HA -0.144 4.175 4.320 -0.000 0.000 0.216 174 K C 0.877 177.506 176.600 0.049 0.000 1.048 174 K CA 1.533 57.800 56.287 -0.034 0.000 0.948 174 K CB 0.009 32.408 32.500 -0.169 0.000 0.726 174 K HN 0.491 nan 8.250 nan 0.000 0.442 175 N N 0.056 118.880 118.700 0.206 0.000 2.904 175 N HA 0.246 4.985 4.740 -0.000 0.000 0.257 175 N C -1.657 173.914 175.510 0.101 0.000 1.363 175 N CA -0.260 52.910 53.050 0.199 0.000 0.856 175 N CB 0.919 39.633 38.487 0.377 0.000 1.166 175 N HN 0.253 nan 8.380 nan 0.000 0.499 176 A N 1.189 124.027 122.820 0.031 0.000 2.371 176 A HA 0.625 4.945 4.320 -0.000 0.000 0.257 176 A C 0.120 177.672 177.584 -0.054 0.000 1.089 176 A CA -0.193 51.832 52.037 -0.021 0.000 0.794 176 A CB 0.369 19.334 19.000 -0.059 0.000 1.029 176 A HN 0.648 nan 8.150 nan 0.000 0.488 177 V N -0.324 119.541 119.914 -0.081 0.000 3.188 177 V HA 0.712 4.831 4.120 -0.000 0.000 0.305 177 V C -0.859 175.157 176.094 -0.131 0.000 1.232 177 V CA -1.004 61.233 62.300 -0.103 0.000 1.043 177 V CB 1.619 33.387 31.823 -0.092 0.000 1.068 177 V HN 0.729 nan 8.190 nan 0.000 0.439 178 L N 2.694 123.835 121.223 -0.136 0.000 2.280 178 L HA 0.608 4.948 4.340 -0.000 0.000 0.287 178 L C -0.511 176.333 176.870 -0.042 0.000 1.023 178 L CA -0.370 54.405 54.840 -0.108 0.000 0.819 178 L CB 1.429 43.375 42.059 -0.189 0.000 1.212 178 L HN 0.541 nan 8.230 nan 0.000 0.420 179 I N 2.168 122.723 120.570 -0.025 0.000 2.437 179 I HA 0.192 4.362 4.170 -0.000 0.000 0.298 179 I C 0.113 176.276 176.117 0.076 0.000 0.984 179 I CA -0.529 60.724 61.300 -0.078 0.000 1.214 179 I CB 1.806 39.613 38.000 -0.321 0.000 1.365 179 I HN 0.531 nan 8.210 nan 0.000 0.469 180 D N 6.194 126.632 120.400 0.064 0.000 2.352 180 D HA 0.145 4.785 4.640 -0.000 0.000 0.245 180 D C 0.902 177.181 176.300 -0.034 0.000 1.224 180 D CA -0.041 53.948 54.000 -0.019 0.000 0.879 180 D CB 1.074 41.890 40.800 0.027 0.000 1.057 180 D HN 0.455 nan 8.370 nan 0.000 0.491 181 L N 2.702 123.896 121.223 -0.048 0.000 2.275 181 L HA -0.113 4.226 4.340 -0.000 0.000 0.215 181 L C 2.212 179.180 176.870 0.164 0.000 1.119 181 L CA 0.733 55.639 54.840 0.110 0.000 0.790 181 L CB -0.308 41.816 42.059 0.109 0.000 0.919 181 L HN 0.354 nan 8.230 nan 0.000 0.443 182 T N -0.090 114.483 114.554 0.032 0.000 2.951 182 T HA -0.034 4.315 4.350 -0.000 0.000 0.268 182 T C 1.750 176.469 174.700 0.030 0.000 1.073 182 T CA 1.198 63.313 62.100 0.025 0.000 1.134 182 T CB 0.009 68.861 68.868 -0.027 0.000 0.884 182 T HN 0.431 nan 8.240 nan 0.000 0.479 183 A N 1.186 124.027 122.820 0.034 0.000 2.308 183 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 183 A C 0.916 178.547 177.584 0.078 0.000 1.216 183 A CA -0.083 51.979 52.037 0.042 0.000 0.864 183 A CB 0.233 19.257 19.000 0.039 0.000 0.902 183 A HN 0.310 nan 8.150 nan 0.000 0.499 184 N N 1.207 119.988 118.700 0.134 0.000 2.672 184 N HA 0.194 4.933 4.740 -0.000 0.000 0.295 184 N C -3.187 172.531 175.510 0.346 0.000 1.924 184 N CA -0.790 52.396 53.050 0.226 0.000 0.851 184 N CB 1.270 39.914 38.487 0.261 0.000 1.281 184 N HN 0.294 nan 8.380 nan 0.000 0.494 185 P HA 0.006 nan 4.420 nan 0.000 0.269 185 P C -0.078 177.087 177.300 -0.224 0.000 1.215 185 P CA 0.056 63.123 63.100 -0.055 0.000 0.780 185 P CB 1.452 33.088 31.700 -0.107 0.000 0.898 186 E N 2.002 121.742 120.200 -0.766 0.000 2.338 186 E HA 0.196 4.546 4.350 -0.000 0.000 0.272 186 E C -0.081 176.389 176.600 -0.217 0.000 1.029 186 E CA -0.315 55.657 56.400 -0.714 0.000 0.872 186 E CB 0.396 29.301 29.700 -1.326 0.000 1.015 186 E HN 0.416 nan 8.360 nan 0.000 0.417 187 R N 2.633 123.117 120.500 -0.026 0.000 2.764 187 R HA 0.248 4.588 4.340 -0.000 0.000 0.276 187 R C -1.410 175.033 176.300 0.237 0.000 1.021 187 R CA -0.864 55.321 56.100 0.142 0.000 0.870 187 R CB -0.100 30.140 30.300 -0.100 0.000 1.293 187 R HN 0.349 nan 8.270 nan 0.000 0.469 188 F N 1.784 121.889 119.950 0.259 0.000 2.602 188 F HA 0.224 4.751 4.527 -0.000 0.000 0.385 188 F C 1.002 176.966 175.800 0.274 0.000 1.063 188 F CA 1.314 59.489 58.000 0.291 0.000 1.233 188 F CB 1.023 40.174 39.000 0.253 0.000 1.067 188 F HN 0.750 nan 8.300 nan 0.000 0.564 189 T N 1.321 115.576 114.554 -0.498 0.000 2.958 189 T HA 0.349 4.699 4.350 -0.000 0.000 0.256 189 T C 1.269 175.576 174.700 -0.656 0.000 0.983 189 T CA 0.433 62.284 62.100 -0.414 0.000 0.924 189 T CB -0.039 68.725 68.868 -0.173 0.000 1.136 189 T HN 1.477 nan 8.240 nan 0.000 0.506 190 G N 0.747 108.976 108.800 -0.952 0.000 2.176 190 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 190 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 190 G C -0.195 174.623 174.900 -0.137 0.000 0.986 190 G CA 0.018 44.836 45.100 -0.470 0.000 0.643 190 G HN 0.767 nan 8.290 nan 0.000 0.522 191 Y N 1.603 121.778 120.300 -0.209 0.000 2.336 191 Y HA 0.540 5.090 4.550 -0.000 0.000 0.331 191 Y C 1.018 176.933 175.900 0.026 0.000 1.211 191 Y CA 1.249 59.285 58.100 -0.106 0.000 1.346 191 Y CB 1.160 39.563 38.460 -0.095 0.000 1.271 191 Y HN 0.886 nan 8.280 nan 0.000 0.538 192 G N 1.302 109.801 108.800 -0.502 0.000 2.600 192 G HA2 0.452 4.411 3.960 -0.000 0.000 0.103 192 G HA3 0.452 4.411 3.960 -0.000 0.000 0.103 192 G C 0.052 174.770 174.900 -0.303 0.000 1.090 192 G CA 0.158 45.050 45.100 -0.347 0.000 1.090 192 G HN 1.671 nan 8.290 nan 0.000 0.500 193 G N -0.052 108.688 108.800 -0.102 0.000 2.641 193 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.254 193 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.254 193 G C 1.012 175.862 174.900 -0.083 0.000 1.315 193 G CA 1.173 46.233 45.100 -0.067 0.000 0.907 193 G HN 1.204 nan 8.290 nan 0.000 0.572 194 K N -0.222 120.139 120.400 -0.066 0.000 2.057 194 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 194 K C 2.604 179.139 176.600 -0.109 0.000 1.049 194 K CA 2.122 58.372 56.287 -0.061 0.000 0.931 194 K CB -0.293 32.177 32.500 -0.051 0.000 0.714 194 K HN 0.612 nan 8.250 nan 0.000 0.440 195 Q N 0.097 119.804 119.800 -0.156 0.000 2.002 195 Q HA -0.212 4.127 4.340 -0.000 0.000 0.204 195 Q C 1.936 177.805 176.000 -0.217 0.000 0.988 195 Q CA 2.024 57.707 55.803 -0.201 0.000 0.843 195 Q CB -0.283 28.371 28.738 -0.139 0.000 0.908 195 Q HN 0.423 nan 8.270 nan 0.000 0.420 196 A N 0.309 122.923 122.820 -0.344 0.000 1.940 196 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 196 A C 2.241 179.808 177.584 -0.027 0.000 1.176 196 A CA 1.777 53.617 52.037 -0.328 0.000 0.631 196 A CB -1.311 17.370 19.000 -0.532 0.000 0.814 196 A HN 0.646 nan 8.150 nan 0.000 0.446 197 G N -1.039 107.767 108.800 0.011 0.000 2.402 197 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.216 197 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.216 197 G C 1.591 176.566 174.900 0.125 0.000 1.162 197 G CA 0.918 46.093 45.100 0.126 0.000 0.777 197 G HN 0.640 nan 8.290 nan 0.000 0.539 198 Q N -0.270 119.539 119.800 0.015 0.000 2.124 198 Q HA -0.009 4.331 4.340 -0.000 0.000 0.202 198 Q C 2.581 178.658 176.000 0.128 0.000 0.977 198 Q CA 0.911 56.733 55.803 0.033 0.000 0.850 198 Q CB -0.161 28.463 28.738 -0.189 0.000 0.901 198 Q HN 0.539 nan 8.270 nan 0.000 0.429 199 I N -1.014 119.556 120.570 0.000 0.000 2.193 199 I HA -0.241 3.929 4.170 -0.000 0.000 0.240 199 I C 1.861 177.981 176.117 0.004 0.000 1.084 199 I CA 1.207 62.509 61.300 0.003 0.000 1.365 199 I CB -0.320 37.556 38.000 -0.206 0.000 1.064 199 I HN 0.301 nan 8.210 nan 0.000 0.410 200 W N 0.539 121.852 121.300 0.021 0.000 2.363 200 W HA -0.230 4.430 4.660 -0.000 0.000 0.296 200 W C 3.089 179.734 176.519 0.211 0.000 1.212 200 W CA 1.201 58.541 57.345 -0.009 0.000 1.260 200 W CB -0.415 29.021 29.460 -0.041 0.000 1.131 200 W HN 0.044 nan 8.180 nan 0.000 0.530 201 S N -0.314 115.670 115.700 0.472 0.000 2.359 201 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 201 S C 1.784 176.598 174.600 0.356 0.000 1.035 201 S CA 2.182 60.627 58.200 0.409 0.000 1.018 201 S CB -0.707 62.664 63.200 0.285 0.000 0.876 201 S HN 0.187 nan 8.310 nan 0.000 0.448 202 T N 2.382 117.119 114.554 0.306 0.000 2.788 202 T HA 0.036 4.386 4.350 -0.000 0.000 0.268 202 T C 1.720 176.525 174.700 0.176 0.000 1.044 202 T CA 1.442 63.683 62.100 0.235 0.000 1.139 202 T CB -0.348 68.669 68.868 0.249 0.000 0.867 202 T HN 0.404 nan 8.240 nan 0.000 0.454 203 I N -0.244 120.412 120.570 0.143 0.000 2.179 203 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 203 I C 2.103 178.354 176.117 0.224 0.000 1.088 203 I CA 1.642 62.996 61.300 0.091 0.000 1.357 203 I CB -0.427 37.541 38.000 -0.053 0.000 1.051 203 I HN 0.280 nan 8.210 nan 0.000 0.409 204 Y N 0.353 120.845 120.300 0.320 0.000 2.242 204 Y HA -0.258 4.292 4.550 -0.000 0.000 0.291 204 Y C 2.624 178.695 175.900 0.284 0.000 1.137 204 Y CA 0.943 59.260 58.100 0.362 0.000 1.181 204 Y CB -0.210 38.447 38.460 0.328 0.000 0.989 204 Y HN 0.128 nan 8.280 nan 0.000 0.527 205 Q N -0.043 119.971 119.800 0.358 0.000 2.436 205 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 205 Q C 0.075 176.146 176.000 0.118 0.000 0.965 205 Q CA 0.875 56.805 55.803 0.212 0.000 0.910 205 Q CB -0.041 28.802 28.738 0.175 0.000 0.980 205 Q HN 0.292 nan 8.270 nan 0.000 0.491 206 D N -0.306 120.159 120.400 0.108 0.000 2.706 206 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 206 D C -0.382 175.767 176.300 -0.251 0.000 1.231 206 D CA 0.060 54.031 54.000 -0.048 0.000 0.828 206 D CB -0.248 40.535 40.800 -0.029 0.000 1.015 206 D HN 0.038 nan 8.370 nan 0.000 0.484 207 N N 1.185 119.819 118.700 -0.111 0.000 3.228 207 N HA 0.080 4.820 4.740 -0.000 0.000 0.289 207 N C -1.503 173.938 175.510 -0.115 0.000 1.419 207 N CA -0.259 52.683 53.050 -0.179 0.000 1.088 207 N CB -0.229 38.439 38.487 0.301 0.000 1.357 207 N HN -0.056 nan 8.380 nan 0.000 0.504 208 C N 2.215 121.305 119.300 -0.351 0.000 2.432 208 C HA 0.565 5.025 4.460 -0.000 0.000 0.334 208 C C -0.260 174.505 174.990 -0.375 0.000 1.155 208 C CA -0.958 57.946 59.018 -0.189 0.000 1.335 208 C CB -0.612 27.055 27.740 -0.121 0.000 1.964 208 C HN 0.319 nan 8.230 nan 0.000 0.444 209 F N 0.310 120.208 119.950 -0.087 0.000 2.585 209 F HA 0.538 5.065 4.527 -0.001 0.000 0.350 209 F C 1.099 176.875 175.800 -0.040 0.000 1.074 209 F CA -0.726 57.233 58.000 -0.068 0.000 1.032 209 F CB 0.579 39.539 39.000 -0.068 0.000 1.330 209 F HN 0.310 nan 8.300 nan 0.000 0.495 210 T N 3.397 118.060 114.554 0.182 0.000 2.750 210 T HA 0.265 4.614 4.350 -0.000 0.000 0.286 210 T C 0.153 174.899 174.700 0.077 0.000 0.911 210 T CA -0.248 61.906 62.100 0.091 0.000 1.130 210 T CB -0.756 68.156 68.868 0.073 0.000 0.873 210 T HN 0.125 nan 8.240 nan 0.000 0.536 211 I N 2.711 123.312 120.570 0.053 0.000 3.003 211 I HA 0.218 4.387 4.170 -0.000 0.000 0.294 211 I C 1.755 177.885 176.117 0.022 0.000 1.237 211 I CA 1.218 62.539 61.300 0.035 0.000 1.417 211 I CB -0.408 37.606 38.000 0.023 0.000 1.340 211 I HN 0.853 nan 8.210 nan 0.000 0.594 212 G N 2.487 111.293 108.800 0.011 0.000 2.900 212 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.223 212 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.223 212 G C 0.383 175.283 174.900 -0.001 0.000 1.293 212 G CA -0.063 45.039 45.100 0.004 0.000 0.792 212 G HN 0.618 nan 8.290 nan 0.000 0.527 213 E N 2.478 122.682 120.200 0.007 0.000 2.760 213 E HA 0.112 4.462 4.350 -0.000 0.000 0.268 213 E C 0.520 177.108 176.600 -0.020 0.000 0.935 213 E CA 1.140 57.541 56.400 0.001 0.000 0.960 213 E CB 0.100 29.810 29.700 0.017 0.000 0.931 213 E HN 0.467 nan 8.360 nan 0.000 0.483 214 T N 1.853 116.394 114.554 -0.022 0.000 2.829 214 T HA 0.281 4.630 4.350 -0.000 0.000 0.293 214 T C 1.085 175.751 174.700 -0.057 0.000 0.970 214 T CA 0.595 62.675 62.100 -0.034 0.000 1.168 214 T CB 0.415 69.269 68.868 -0.022 0.000 0.911 214 T HN 0.661 nan 8.240 nan 0.000 0.535 215 G N 2.999 111.748 108.800 -0.085 0.000 2.132 215 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.228 215 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.228 215 G C 0.750 175.549 174.900 -0.169 0.000 1.000 215 G CA 0.372 45.390 45.100 -0.136 0.000 0.693 215 G HN 0.675 nan 8.290 nan 0.000 0.515 216 E N 1.321 121.443 120.200 -0.130 0.000 2.033 216 E HA -0.134 4.216 4.350 -0.000 0.000 0.199 216 E C 2.605 179.105 176.600 -0.167 0.000 1.011 216 E CA 2.399 58.720 56.400 -0.132 0.000 0.815 216 E CB -0.721 28.947 29.700 -0.053 0.000 0.755 216 E HN 0.668 nan 8.360 nan 0.000 0.451 217 S N -0.551 115.072 115.700 -0.128 0.000 2.351 217 S HA -0.176 4.293 4.470 -0.000 0.000 0.220 217 S C 2.132 176.644 174.600 -0.147 0.000 1.035 217 S CA 1.722 59.857 58.200 -0.108 0.000 1.031 217 S CB -0.632 62.511 63.200 -0.096 0.000 0.928 217 S HN 0.376 nan 8.310 nan 0.000 0.433 218 L N 1.357 122.421 121.223 -0.264 0.000 2.021 218 L HA -0.205 4.134 4.340 -0.000 0.000 0.215 218 L C 3.047 179.882 176.870 -0.058 0.000 1.074 218 L CA 1.555 56.148 54.840 -0.410 0.000 0.760 218 L CB -0.976 40.474 42.059 -1.016 0.000 0.889 218 L HN 0.502 nan 8.230 nan 0.000 0.433 219 A N 1.125 123.824 122.820 -0.202 0.000 1.908 219 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 219 A C 2.341 179.638 177.584 -0.480 0.000 1.181 219 A CA 2.269 54.046 52.037 -0.433 0.000 0.627 219 A CB -0.513 17.880 19.000 -1.012 0.000 0.818 219 A HN 0.582 nan 8.150 nan 0.000 0.445 220 K N -0.433 119.802 120.400 -0.275 0.000 2.148 220 K HA -0.129 4.191 4.320 -0.000 0.000 0.204 220 K C 1.104 177.861 176.600 0.262 0.000 1.050 220 K CA 1.761 58.114 56.287 0.110 0.000 0.942 220 K CB -0.358 32.236 32.500 0.157 0.000 0.724 220 K HN 0.292 nan 8.250 nan 0.000 0.446 221 D N 1.287 121.809 120.400 0.205 0.000 2.117 221 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 221 D C 1.983 178.494 176.300 0.351 0.000 0.982 221 D CA 1.652 55.822 54.000 0.284 0.000 0.828 221 D CB -0.136 40.806 40.800 0.236 0.000 0.967 221 D HN 0.419 nan 8.370 nan 0.000 0.464 222 A N 0.035 123.100 122.820 0.408 0.000 1.898 222 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 222 A C 2.026 179.935 177.584 0.541 0.000 1.181 222 A CA 0.854 53.179 52.037 0.480 0.000 0.620 222 A CB -0.999 18.435 19.000 0.724 0.000 0.819 222 A HN 0.283 nan 8.150 nan 0.000 0.442 223 F N -0.684 119.437 119.950 0.285 0.000 2.102 223 F HA -0.215 4.312 4.527 -0.001 0.000 0.298 223 F C 2.154 178.189 175.800 0.392 0.000 1.105 223 F CA 2.060 60.280 58.000 0.366 0.000 1.239 223 F CB -0.518 38.582 39.000 0.167 0.000 0.991 223 F HN 0.403 nan 8.300 nan 0.000 0.474 224 Y N 1.032 121.552 120.300 0.365 0.000 2.145 224 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 224 Y C 2.759 178.784 175.900 0.207 0.000 1.145 224 Y CA 2.241 60.523 58.100 0.304 0.000 1.148 224 Y CB -0.853 37.795 38.460 0.315 0.000 0.981 224 Y HN 0.046 nan 8.280 nan 0.000 0.507 225 R N 0.137 120.610 120.500 -0.044 0.000 2.091 225 R HA -0.177 4.162 4.340 -0.000 0.000 0.238 225 R C 2.315 178.613 176.300 -0.002 0.000 1.136 225 R CA 1.987 57.998 56.100 -0.148 0.000 0.959 225 R CB -0.508 29.645 30.300 -0.245 0.000 0.856 225 R HN 0.490 nan 8.270 nan 0.000 0.437 226 L N -0.191 121.109 121.223 0.128 0.000 2.017 226 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 226 L C 2.383 179.188 176.870 -0.108 0.000 1.073 226 L CA 1.107 55.971 54.840 0.040 0.000 0.745 226 L CB -0.352 41.731 42.059 0.040 0.000 0.894 226 L HN 0.108 nan 8.230 nan 0.000 0.432 227 V N -1.251 118.569 119.914 -0.156 0.000 2.343 227 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 227 V C 2.664 178.731 176.094 -0.045 0.000 1.051 227 V CA 1.965 64.181 62.300 -0.140 0.000 1.036 227 V CB -0.299 31.258 31.823 -0.444 0.000 0.654 227 V HN 0.446 nan 8.190 nan 0.000 0.451 228 S N 0.408 116.030 115.700 -0.130 0.000 2.368 228 S HA -0.118 4.352 4.470 -0.000 0.000 0.225 228 S C 2.066 176.671 174.600 0.007 0.000 1.030 228 S CA 1.692 59.847 58.200 -0.075 0.000 0.999 228 S CB -0.541 62.438 63.200 -0.370 0.000 0.844 228 S HN 0.636 nan 8.310 nan 0.000 0.459 229 G N 0.218 109.052 108.800 0.057 0.000 2.422 229 G HA2 -0.130 3.829 3.960 -0.000 0.000 0.218 229 G HA3 -0.130 3.829 3.960 -0.000 0.000 0.218 229 G C 1.241 176.282 174.900 0.236 0.000 1.140 229 G CA 0.796 45.987 45.100 0.152 0.000 0.775 229 G HN 0.571 nan 8.290 nan 0.000 0.545 230 F N 1.065 121.050 119.950 0.058 0.000 2.113 230 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 230 F C 2.207 178.152 175.800 0.242 0.000 1.103 230 F CA 1.642 59.764 58.000 0.203 0.000 1.248 230 F CB -1.054 38.046 39.000 0.166 0.000 0.999 230 F HN 0.368 nan 8.300 nan 0.000 0.475 231 H N -0.443 118.455 119.070 -0.286 0.000 2.290 231 H HA -0.128 4.428 4.556 -0.000 0.000 0.298 231 H C 2.282 177.385 175.328 -0.376 0.000 1.087 231 H CA 1.193 56.790 56.048 -0.753 0.000 1.291 231 H CB -0.096 29.114 29.762 -0.920 0.000 1.369 231 H HN 0.337 nan 8.280 nan 0.000 0.492 232 A N -0.304 122.468 122.820 -0.080 0.000 1.933 232 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 232 A C 2.540 180.166 177.584 0.070 0.000 1.175 232 A CA 1.690 53.690 52.037 -0.061 0.000 0.628 232 A CB -0.939 18.052 19.000 -0.015 0.000 0.814 232 A HN 0.503 nan 8.150 nan 0.000 0.444 233 S N -0.433 115.353 115.700 0.142 0.000 2.368 233 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 233 S C 1.897 176.628 174.600 0.219 0.000 1.030 233 S CA 1.509 59.835 58.200 0.210 0.000 0.999 233 S CB -0.494 62.882 63.200 0.293 0.000 0.844 233 S HN 0.502 nan 8.310 nan 0.000 0.459 234 I N 1.016 121.686 120.570 0.166 0.000 2.202 234 I HA -0.048 4.122 4.170 -0.000 0.000 0.242 234 I C 2.758 179.008 176.117 0.221 0.000 1.091 234 I CA 1.066 62.475 61.300 0.182 0.000 1.368 234 I CB -0.968 37.123 38.000 0.153 0.000 1.058 234 I HN 0.448 nan 8.210 nan 0.000 0.410 235 G N 0.355 109.244 108.800 0.148 0.000 2.440 235 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 235 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 235 G C 1.646 176.661 174.900 0.192 0.000 1.154 235 G CA 1.554 46.729 45.100 0.124 0.000 0.767 235 G HN 0.280 nan 8.290 nan 0.000 0.552 236 T N -0.341 114.350 114.554 0.228 0.000 2.720 236 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 236 T C 2.025 176.919 174.700 0.323 0.000 1.037 236 T CA 1.669 63.979 62.100 0.350 0.000 1.144 236 T CB -0.312 68.763 68.868 0.344 0.000 0.864 236 T HN 0.509 nan 8.240 nan 0.000 0.444 237 H N 1.123 120.309 119.070 0.194 0.000 2.293 237 H HA -0.026 4.529 4.556 -0.000 0.000 0.300 237 H C 2.026 177.482 175.328 0.213 0.000 1.082 237 H CA 1.550 57.688 56.048 0.151 0.000 1.308 237 H CB -0.269 29.536 29.762 0.071 0.000 1.375 237 H HN 0.297 nan 8.280 nan 0.000 0.495 238 L N -1.543 119.933 121.223 0.421 0.000 2.353 238 L HA -0.010 4.330 4.340 -0.000 0.000 0.220 238 L C 2.033 179.183 176.870 0.468 0.000 1.133 238 L CA 1.526 56.656 54.840 0.484 0.000 0.798 238 L CB -0.659 41.722 42.059 0.537 0.000 0.922 238 L HN 0.020 nan 8.230 nan 0.000 0.445 239 S N -0.191 115.722 115.700 0.356 0.000 2.388 239 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 239 S C 1.904 176.760 174.600 0.426 0.000 1.034 239 S CA 1.084 59.458 58.200 0.291 0.000 0.963 239 S CB -0.199 63.105 63.200 0.173 0.000 0.827 239 S HN 0.583 nan 8.310 nan 0.000 0.481 240 K N 1.327 121.975 120.400 0.413 0.000 2.001 240 K HA -0.060 4.259 4.320 -0.000 0.000 0.208 240 K C 0.182 176.888 176.600 0.175 0.000 1.048 240 K CA 1.136 57.565 56.287 0.237 0.000 0.932 240 K CB 0.006 32.482 32.500 -0.039 0.000 0.715 240 K HN 0.129 nan 8.250 nan 0.000 0.437 241 E N 0.999 121.318 120.200 0.198 0.000 2.341 241 E HA 0.005 4.354 4.350 -0.000 0.000 0.279 241 E C -1.139 175.793 176.600 0.554 0.000 1.395 241 E CA -0.206 56.367 56.400 0.289 0.000 1.648 241 E CB -0.280 29.512 29.700 0.154 0.000 1.524 241 E HN 0.260 nan 8.360 nan 0.000 0.462 242 Y N 0.641 121.127 120.300 0.310 0.000 2.335 242 Y HA 0.274 4.823 4.550 -0.000 0.000 0.323 242 Y C -0.211 175.680 175.900 -0.015 0.000 1.224 242 Y CA -0.963 57.222 58.100 0.142 0.000 1.241 242 Y CB 0.889 39.277 38.460 -0.120 0.000 1.235 242 Y HN 0.186 nan 8.280 nan 0.000 0.492 243 L N 5.731 126.393 121.223 -0.934 0.000 2.275 243 L HA 0.343 4.682 4.340 -0.000 0.000 0.288 243 L C -0.686 175.779 176.870 -0.676 0.000 1.046 243 L CA -0.213 53.936 54.840 -1.153 0.000 0.805 243 L CB 0.605 41.753 42.059 -1.518 0.000 1.193 243 L HN 0.672 nan 8.230 nan 0.000 0.426 244 N N 2.492 120.888 118.700 -0.507 0.000 2.439 244 N HA 0.032 4.771 4.740 -0.000 0.000 0.243 244 N C 0.661 175.938 175.510 -0.388 0.000 1.088 244 N CA 0.425 53.312 53.050 -0.272 0.000 0.940 244 N CB 1.065 39.460 38.487 -0.154 0.000 1.180 244 N HN 0.823 nan 8.380 nan 0.000 0.505 245 T N 0.661 115.018 114.554 -0.328 0.000 3.155 245 T HA 0.003 4.353 4.350 -0.000 0.000 0.264 245 T C 1.066 175.811 174.700 0.075 0.000 1.160 245 T CA 0.986 62.918 62.100 -0.279 0.000 1.075 245 T CB 0.173 68.961 68.868 -0.134 0.000 0.921 245 T HN 0.458 nan 8.240 nan 0.000 0.533 246 K N 0.749 121.171 120.400 0.036 0.000 2.312 246 K HA 0.103 4.423 4.320 -0.000 0.000 0.206 246 K C 2.654 179.336 176.600 0.137 0.000 1.121 246 K CA 0.893 57.249 56.287 0.114 0.000 0.923 246 K CB -0.071 32.458 32.500 0.048 0.000 1.162 246 K HN 0.363 nan 8.250 nan 0.000 0.478 247 T N -1.496 113.095 114.554 0.062 0.000 3.055 247 T HA 0.072 4.422 4.350 -0.000 0.000 0.265 247 T C 1.480 176.246 174.700 0.111 0.000 1.111 247 T CA 0.846 62.988 62.100 0.069 0.000 1.118 247 T CB -0.056 68.826 68.868 0.023 0.000 0.909 247 T HN 0.382 nan 8.240 nan 0.000 0.501 248 G N 1.445 110.288 108.800 0.071 0.000 2.160 248 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.251 248 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.251 248 G C -0.086 174.764 174.900 -0.083 0.000 1.008 248 G CA 0.189 45.347 45.100 0.096 0.000 0.724 248 G HN 0.628 nan 8.290 nan 0.000 0.514 249 K N -0.857 119.446 120.400 -0.162 0.000 2.203 249 K HA 0.469 4.789 4.320 -0.000 0.000 0.251 249 K C -0.374 176.078 176.600 -0.247 0.000 0.944 249 K CA -0.885 55.339 56.287 -0.105 0.000 0.829 249 K CB 1.191 33.694 32.500 0.006 0.000 1.125 249 K HN 0.182 nan 8.250 nan 0.000 0.430 250 W N 2.547 123.847 121.300 0.000 0.000 2.322 250 W HA 0.207 4.867 4.660 -0.000 0.000 0.307 250 W C 0.639 177.169 176.519 0.017 0.000 1.220 250 W CA -0.011 57.336 57.345 0.003 0.000 1.210 250 W CB 0.641 30.110 29.460 0.014 0.000 1.223 250 W HN 0.524 nan 8.180 nan 0.000 0.511 251 E N 2.357 122.678 120.200 0.202 0.000 2.416 251 E HA 0.448 4.798 4.350 -0.000 0.000 0.280 251 E C -2.968 173.722 176.600 0.149 0.000 1.055 251 E CA -2.561 53.918 56.400 0.131 0.000 0.825 251 E CB 1.591 31.331 29.700 0.067 0.000 1.312 251 E HN -0.056 nan 8.360 nan 0.000 0.452 252 P HA 0.057 nan 4.420 nan 0.000 0.269 252 P C -0.783 176.625 177.300 0.180 0.000 1.215 252 P CA -0.243 62.940 63.100 0.138 0.000 0.780 252 P CB 0.357 32.017 31.700 -0.066 0.000 0.898 253 N N 2.593 121.443 118.700 0.251 0.000 2.746 253 N HA 0.071 4.811 4.740 -0.000 0.000 0.250 253 N C 0.529 176.062 175.510 0.038 0.000 1.146 253 N CA -0.292 52.758 53.050 -0.000 0.000 0.828 253 N CB 0.233 38.489 38.487 -0.385 0.000 1.158 253 N HN 0.163 nan 8.380 nan 0.000 0.519 254 L N 2.874 124.192 121.223 0.158 0.000 2.042 254 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 254 L C 1.377 178.203 176.870 -0.074 0.000 1.076 254 L CA 2.032 56.929 54.840 0.094 0.000 0.749 254 L CB -0.232 41.950 42.059 0.205 0.000 0.893 254 L HN 0.423 nan 8.230 nan 0.000 0.432 255 D N -0.524 119.822 120.400 -0.090 0.000 2.123 255 D HA -0.208 4.431 4.640 -0.000 0.000 0.196 255 D C 2.178 178.368 176.300 -0.184 0.000 0.992 255 D CA 1.645 55.568 54.000 -0.130 0.000 0.833 255 D CB -0.104 40.619 40.800 -0.129 0.000 0.954 255 D HN 0.338 nan 8.370 nan 0.000 0.455 256 L N 0.407 121.489 121.223 -0.234 0.000 2.056 256 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 256 L C 2.133 178.866 176.870 -0.229 0.000 1.078 256 L CA 1.217 55.913 54.840 -0.241 0.000 0.749 256 L CB -0.928 40.931 42.059 -0.334 0.000 0.901 256 L HN -0.085 nan 8.230 nan 0.000 0.433 257 F N -0.402 119.270 119.950 -0.463 0.000 2.095 257 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 257 F C 2.256 177.820 175.800 -0.393 0.000 1.104 257 F CA 1.838 59.474 58.000 -0.608 0.000 1.232 257 F CB -0.269 37.852 39.000 -1.465 0.000 0.987 257 F HN 0.080 nan 8.300 nan 0.000 0.475 258 M N 0.373 119.706 119.600 -0.446 0.000 2.159 258 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 258 M C 2.496 178.611 176.300 -0.309 0.000 1.063 258 M CA 1.619 56.662 55.300 -0.427 0.000 1.110 258 M CB -2.044 30.381 32.600 -0.291 0.000 1.374 258 M HN 0.342 nan 8.290 nan 0.000 0.411 259 A N -0.139 122.552 122.820 -0.215 0.000 1.968 259 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 259 A C 2.307 179.878 177.584 -0.022 0.000 1.169 259 A CA 1.115 53.102 52.037 -0.084 0.000 0.638 259 A CB -0.205 18.738 19.000 -0.094 0.000 0.812 259 A HN 0.324 nan 8.150 nan 0.000 0.446 260 R N -1.395 119.000 120.500 -0.174 0.000 2.105 260 R HA 0.270 4.610 4.340 -0.000 0.000 0.214 260 R C 1.310 177.443 176.300 -0.279 0.000 1.091 260 R CA 1.028 56.986 56.100 -0.237 0.000 1.007 260 R CB -0.547 29.627 30.300 -0.209 0.000 0.912 260 R HN 0.531 nan 8.270 nan 0.000 0.450 261 I N -1.112 119.202 120.570 -0.426 0.000 3.873 261 I HA 0.180 4.349 4.170 -0.000 0.000 0.284 261 I C 2.178 177.993 176.117 -0.503 0.000 1.186 261 I CA 0.893 61.919 61.300 -0.457 0.000 1.362 261 I CB -0.891 36.754 38.000 -0.592 0.000 1.432 261 I HN 0.130 nan 8.210 nan 0.000 0.454 262 G N 1.878 110.073 108.800 -1.009 0.000 2.681 262 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.220 262 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.220 262 G C 1.265 175.952 174.900 -0.355 0.000 1.210 262 G CA 1.391 46.101 45.100 -0.649 0.000 0.783 262 G HN 0.379 nan 8.290 nan 0.000 0.609 263 N N 0.420 118.880 118.700 -0.399 0.000 2.501 263 N HA 0.085 4.824 4.740 -0.000 0.000 0.195 263 N C -0.703 174.266 175.510 -0.903 0.000 1.213 263 N CA 0.360 53.050 53.050 -0.600 0.000 0.864 263 N CB 0.012 38.075 38.487 -0.707 0.000 0.999 263 N HN 0.282 nan 8.380 nan 0.000 0.454 264 F N -0.420 119.426 119.950 -0.173 0.000 2.686 264 F HA 0.349 4.876 4.527 -0.000 0.000 0.365 264 F C -1.677 174.081 175.800 -0.070 0.000 1.196 264 F CA -2.019 55.910 58.000 -0.119 0.000 1.198 264 F CB 1.903 40.818 39.000 -0.142 0.000 1.454 264 F HN -0.184 nan 8.300 nan 0.000 0.539 265 P HA -0.273 nan 4.420 nan 0.000 0.217 265 P C 1.545 178.928 177.300 0.138 0.000 1.158 265 P CA 2.079 65.221 63.100 0.069 0.000 0.887 265 P CB 0.179 31.885 31.700 0.010 0.000 0.792 266 D N -0.312 120.168 120.400 0.133 0.000 2.158 266 D HA -0.227 4.413 4.640 -0.000 0.000 0.197 266 D C 1.727 178.122 176.300 0.159 0.000 0.995 266 D CA 1.422 55.513 54.000 0.151 0.000 0.846 266 D CB -0.813 40.073 40.800 0.144 0.000 0.941 266 D HN 0.232 nan 8.370 nan 0.000 0.456 267 R N 0.259 120.840 120.500 0.135 0.000 2.092 267 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 267 R C 2.663 179.052 176.300 0.148 0.000 1.119 267 R CA 0.701 56.852 56.100 0.085 0.000 0.970 267 R CB -0.175 30.122 30.300 -0.006 0.000 0.864 267 R HN 0.115 nan 8.270 nan 0.000 0.440 268 V N 0.431 120.469 119.914 0.207 0.000 2.379 268 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 268 V C 2.067 178.399 176.094 0.397 0.000 1.044 268 V CA 2.011 64.499 62.300 0.314 0.000 1.036 268 V CB -0.388 31.657 31.823 0.369 0.000 0.664 268 V HN 0.376 nan 8.190 nan 0.000 0.453 269 T N 0.193 114.992 114.554 0.408 0.000 2.720 269 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 269 T C 1.678 176.590 174.700 0.354 0.000 1.037 269 T CA 2.061 64.437 62.100 0.460 0.000 1.144 269 T CB -0.511 68.594 68.868 0.395 0.000 0.864 269 T HN 0.596 nan 8.240 nan 0.000 0.444 270 N N 0.432 119.299 118.700 0.278 0.000 2.223 270 N HA 0.003 4.742 4.740 -0.000 0.000 0.185 270 N C 1.938 177.630 175.510 0.303 0.000 1.016 270 N CA 0.891 54.104 53.050 0.271 0.000 0.863 270 N CB -0.163 38.409 38.487 0.142 0.000 0.983 270 N HN 0.373 nan 8.380 nan 0.000 0.429 271 M N -0.430 119.316 119.600 0.243 0.000 2.132 271 M HA -0.142 4.337 4.480 -0.000 0.000 0.263 271 M C 1.336 177.711 176.300 0.124 0.000 1.065 271 M CA 1.423 56.826 55.300 0.172 0.000 1.122 271 M CB -0.301 32.355 32.600 0.092 0.000 1.365 271 M HN 0.183 nan 8.290 nan 0.000 0.411 272 Y N -0.884 119.420 120.300 0.006 0.000 2.403 272 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 272 Y C 2.143 178.120 175.900 0.128 0.000 1.143 272 Y CA 1.321 59.377 58.100 -0.075 0.000 1.257 272 Y CB -0.499 37.659 38.460 -0.504 0.000 0.984 272 Y HN 0.170 nan 8.280 nan 0.000 0.550 273 F N 0.983 121.054 119.950 0.201 0.000 2.128 273 F HA -0.154 4.372 4.527 -0.000 0.000 0.295 273 F C 1.845 177.746 175.800 0.170 0.000 1.100 273 F CA 1.408 59.512 58.000 0.172 0.000 1.260 273 F CB -0.506 38.580 39.000 0.143 0.000 1.009 273 F HN -0.085 nan 8.300 nan 0.000 0.476 274 N N -0.410 118.361 118.700 0.117 0.000 2.120 274 N HA -0.226 4.513 4.740 -0.000 0.000 0.188 274 N C 1.762 177.341 175.510 0.114 0.000 1.024 274 N CA 1.575 54.677 53.050 0.087 0.000 0.852 274 N CB -1.087 37.580 38.487 0.300 0.000 1.003 274 N HN 0.457 nan 8.380 nan 0.000 0.424 275 Y N 1.399 121.726 120.300 0.046 0.000 2.114 275 Y HA -0.246 4.303 4.550 -0.000 0.000 0.282 275 Y C 2.250 178.225 175.900 0.125 0.000 1.165 275 Y CA 2.079 60.228 58.100 0.082 0.000 1.148 275 Y CB -0.509 37.919 38.460 -0.054 0.000 0.972 275 Y HN 0.101 nan 8.280 nan 0.000 0.504 276 A N -1.017 121.910 122.820 0.178 0.000 1.930 276 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 276 A C 2.341 179.896 177.584 -0.048 0.000 1.175 276 A CA 1.747 53.857 52.037 0.122 0.000 0.627 276 A CB -1.260 17.819 19.000 0.130 0.000 0.815 276 A HN 0.344 nan 8.150 nan 0.000 0.443 277 V N -0.339 119.425 119.914 -0.250 0.000 2.295 277 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 277 V C 2.581 178.522 176.094 -0.256 0.000 1.049 277 V CA 2.130 64.234 62.300 -0.326 0.000 1.024 277 V CB -0.767 30.773 31.823 -0.472 0.000 0.648 277 V HN 0.376 nan 8.190 nan 0.000 0.447 278 V N 0.196 119.987 119.914 -0.205 0.000 2.358 278 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 278 V C 2.670 178.502 176.094 -0.436 0.000 1.047 278 V CA 1.874 64.015 62.300 -0.265 0.000 1.035 278 V CB -1.096 30.629 31.823 -0.164 0.000 0.658 278 V HN 0.555 nan 8.190 nan 0.000 0.452 279 A N -0.280 122.269 122.820 -0.451 0.000 1.972 279 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 279 A C 2.337 179.663 177.584 -0.430 0.000 1.169 279 A CA 2.042 53.748 52.037 -0.552 0.000 0.635 279 A CB -0.447 18.424 19.000 -0.216 0.000 0.810 279 A HN 0.522 nan 8.150 nan 0.000 0.446 280 K N -0.372 119.738 120.400 -0.482 0.000 2.217 280 K HA 0.008 4.328 4.320 -0.000 0.000 0.202 280 K C 2.052 178.366 176.600 -0.478 0.000 1.051 280 K CA 0.974 56.701 56.287 -0.933 0.000 0.952 280 K CB -0.248 31.893 32.500 -0.600 0.000 0.736 280 K HN 0.379 nan 8.250 nan 0.000 0.453 281 A N 1.253 123.860 122.820 -0.356 0.000 1.872 281 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 281 A C 2.047 179.493 177.584 -0.230 0.000 1.187 281 A CA 0.948 52.825 52.037 -0.266 0.000 0.614 281 A CB -0.550 18.288 19.000 -0.270 0.000 0.826 281 A HN 0.273 nan 8.150 nan 0.000 0.442 282 L N -2.506 118.547 121.223 -0.285 0.000 2.042 282 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 282 L C 2.521 179.313 176.870 -0.129 0.000 1.076 282 L CA 1.724 56.424 54.840 -0.234 0.000 0.749 282 L CB -0.463 41.373 42.059 -0.371 0.000 0.893 282 L HN 0.759 nan 8.230 nan 0.000 0.432 283 W N 0.890 121.979 121.300 -0.351 0.000 2.402 283 W HA -0.148 4.512 4.660 -0.000 0.000 0.286 283 W C 2.429 178.825 176.519 -0.205 0.000 1.221 283 W CA 1.046 58.226 57.345 -0.276 0.000 1.257 283 W CB 0.159 29.358 29.460 -0.435 0.000 1.120 283 W HN -0.156 nan 8.180 nan 0.000 0.551 284 K N 0.547 120.880 120.400 -0.111 0.000 2.217 284 K HA -0.067 4.252 4.320 -0.000 0.000 0.202 284 K C 1.857 178.390 176.600 -0.112 0.000 1.051 284 K CA 1.692 57.884 56.287 -0.159 0.000 0.952 284 K CB -0.777 31.677 32.500 -0.076 0.000 0.736 284 K HN 0.550 nan 8.250 nan 0.000 0.453 285 I N -2.060 118.454 120.570 -0.093 0.000 3.228 285 I HA -0.028 4.142 4.170 -0.000 0.000 0.279 285 I C 2.330 178.452 176.117 0.007 0.000 1.221 285 I CA 0.414 61.713 61.300 -0.002 0.000 1.458 285 I CB -0.221 37.755 38.000 -0.041 0.000 1.105 285 I HN -0.044 nan 8.210 nan 0.000 0.445 286 Q N 2.460 122.196 119.800 -0.107 0.000 2.096 286 Q HA -0.179 4.161 4.340 -0.000 0.000 0.208 286 Q C -0.493 175.403 176.000 -0.173 0.000 0.993 286 Q CA 2.882 58.608 55.803 -0.127 0.000 0.862 286 Q CB -1.052 27.572 28.738 -0.191 0.000 0.915 286 Q HN 0.395 nan 8.270 nan 0.000 0.416 287 P HA -0.123 nan 4.420 nan 0.000 0.220 287 P C -0.169 176.718 177.300 -0.689 0.000 1.148 287 P CA 1.198 63.971 63.100 -0.545 0.000 0.803 287 P CB 0.006 31.244 31.700 -0.769 0.000 0.782 288 Y N -2.579 117.661 120.300 -0.099 0.000 2.507 288 Y HA 0.236 4.786 4.550 -0.001 0.000 0.254 288 Y C 0.727 176.607 175.900 -0.034 0.000 1.171 288 Y CA -0.955 57.104 58.100 -0.068 0.000 1.238 288 Y CB -0.341 38.066 38.460 -0.087 0.000 1.148 288 Y HN -0.166 nan 8.280 nan 0.000 0.525 289 L N 3.278 124.544 121.223 0.072 0.000 2.499 289 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 289 L C -2.197 174.758 176.870 0.141 0.000 1.195 289 L CA -2.157 52.758 54.840 0.126 0.000 0.882 289 L CB 0.010 42.160 42.059 0.151 0.000 1.133 289 L HN -0.023 nan 8.230 nan 0.000 0.483 290 P HA 0.146 nan 4.420 nan 0.000 0.276 290 P C -0.828 176.599 177.300 0.212 0.000 1.244 290 P CA -0.566 62.645 63.100 0.185 0.000 0.801 290 P CB 0.507 32.317 31.700 0.184 0.000 1.006 291 E N 1.792 122.081 120.200 0.149 0.000 1.774 291 E HA 0.030 4.379 4.350 -0.000 0.000 0.265 291 E C 0.223 176.914 176.600 0.151 0.000 1.207 291 E CA 0.075 56.547 56.400 0.119 0.000 1.054 291 E CB -0.732 29.088 29.700 0.201 0.000 1.074 291 E HN 0.450 nan 8.360 nan 0.000 0.433 292 F N 0.199 120.175 119.950 0.044 0.000 2.773 292 F HA 0.125 4.651 4.527 -0.001 0.000 0.304 292 F C 1.202 176.914 175.800 -0.146 0.000 1.129 292 F CA 0.058 58.032 58.000 -0.043 0.000 1.378 292 F CB 0.085 39.076 39.000 -0.014 0.000 1.095 292 F HN 0.156 nan 8.300 nan 0.000 0.565 293 S N -1.050 114.371 115.700 -0.466 0.000 2.733 293 S HA 0.065 4.535 4.470 -0.000 0.000 0.270 293 S C 1.345 175.758 174.600 -0.311 0.000 1.062 293 S CA 0.060 58.028 58.200 -0.387 0.000 1.256 293 S CB -1.574 61.288 63.200 -0.563 0.000 1.187 293 S HN 0.361 nan 8.310 nan 0.000 0.666 294 F N 3.027 122.864 119.950 -0.189 0.000 2.192 294 F HA -0.067 4.460 4.527 -0.001 0.000 0.301 294 F C 2.350 178.109 175.800 -0.069 0.000 1.079 294 F CA 0.822 58.748 58.000 -0.123 0.000 1.303 294 F CB -1.521 37.414 39.000 -0.108 0.000 1.024 294 F HN 0.469 nan 8.300 nan 0.000 0.494 295 c N -0.594 117.472 118.600 -0.891 0.000 2.464 295 c HA -0.008 4.561 4.570 -0.000 0.000 0.278 295 c C 1.277 175.237 174.090 -0.216 0.000 1.375 295 c CA -0.073 55.956 56.329 -0.502 0.000 1.761 295 c CB -1.294 40.820 42.510 -0.661 0.000 1.944 295 c HN 0.503 nan 8.230 nan 0.000 0.509 296 D N 1.370 121.655 120.400 -0.192 0.000 2.363 296 D HA 0.113 4.753 4.640 -0.000 0.000 0.263 296 D C 1.145 177.419 176.300 -0.044 0.000 1.258 296 D CA 0.113 54.065 54.000 -0.081 0.000 0.907 296 D CB 0.504 41.286 40.800 -0.029 0.000 1.107 296 D HN 0.503 nan 8.370 nan 0.000 0.495 297 L N 3.507 124.715 121.223 -0.026 0.000 2.079 297 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 297 L C 2.275 179.147 176.870 0.003 0.000 1.081 297 L CA 0.764 55.600 54.840 -0.007 0.000 0.752 297 L CB -0.274 41.784 42.059 -0.003 0.000 0.896 297 L HN 0.357 nan 8.230 nan 0.000 0.433 298 V N -1.010 118.911 119.914 0.011 0.000 2.446 298 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 298 V C 1.208 177.322 176.094 0.033 0.000 1.039 298 V CA 1.262 63.578 62.300 0.027 0.000 1.045 298 V CB -0.374 31.473 31.823 0.040 0.000 0.681 298 V HN 0.471 nan 8.190 nan 0.000 0.459 299 N N 0.065 118.784 118.700 0.032 0.000 2.376 299 N HA 0.152 4.891 4.740 -0.000 0.000 0.249 299 N C 1.164 176.643 175.510 -0.052 0.000 1.140 299 N CA -0.073 52.988 53.050 0.019 0.000 0.870 299 N CB 0.565 39.102 38.487 0.083 0.000 1.124 299 N HN 0.458 nan 8.380 nan 0.000 0.505 300 K N 0.831 121.209 120.400 -0.038 0.000 2.044 300 K HA -0.121 4.199 4.320 -0.000 0.000 0.210 300 K C 1.071 177.626 176.600 -0.074 0.000 1.049 300 K CA 1.166 57.424 56.287 -0.049 0.000 0.927 300 K CB 0.254 32.749 32.500 -0.007 0.000 0.713 300 K HN 0.157 nan 8.250 nan 0.000 0.443 301 E N 0.461 120.628 120.200 -0.055 0.000 2.435 301 E HA -0.061 4.288 4.350 -0.000 0.000 0.195 301 E C 1.887 178.436 176.600 -0.085 0.000 1.029 301 E CA 0.297 56.663 56.400 -0.058 0.000 0.865 301 E CB 0.023 29.711 29.700 -0.020 0.000 0.833 301 E HN 0.264 nan 8.360 nan 0.000 0.510 302 I N 1.754 122.255 120.570 -0.115 0.000 2.145 302 I HA -0.314 3.855 4.170 -0.000 0.000 0.244 302 I C 2.360 178.387 176.117 -0.150 0.000 1.075 302 I CA 1.366 62.601 61.300 -0.109 0.000 1.332 302 I CB -0.983 36.873 38.000 -0.239 0.000 1.033 302 I HN 0.110 nan 8.210 nan 0.000 0.410 303 K N 1.112 121.265 120.400 -0.411 0.000 2.032 303 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 303 K C 1.762 178.255 176.600 -0.179 0.000 1.048 303 K CA 1.403 57.396 56.287 -0.490 0.000 0.927 303 K CB -0.250 31.710 32.500 -0.900 0.000 0.712 303 K HN 0.381 nan 8.250 nan 0.000 0.441 304 N N 1.303 119.916 118.700 -0.145 0.000 2.043 304 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 304 N C 1.666 177.162 175.510 -0.022 0.000 1.037 304 N CA 1.219 54.226 53.050 -0.071 0.000 0.851 304 N CB -0.212 38.240 38.487 -0.058 0.000 1.027 304 N HN 0.283 nan 8.380 nan 0.000 0.422 305 K N 0.729 121.125 120.400 -0.006 0.000 2.281 305 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 305 K C 1.996 178.629 176.600 0.056 0.000 1.046 305 K CA 0.675 56.981 56.287 0.031 0.000 0.938 305 K CB -0.105 32.423 32.500 0.046 0.000 0.737 305 K HN 0.288 nan 8.250 nan 0.000 0.458 306 M N 0.959 120.603 119.600 0.074 0.000 2.160 306 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 306 M C 1.183 177.522 176.300 0.064 0.000 1.073 306 M CA 1.586 56.946 55.300 0.099 0.000 1.142 306 M CB 0.114 32.833 32.600 0.198 0.000 1.358 306 M HN -0.034 nan 8.290 nan 0.000 0.422 307 D N 0.617 121.043 120.400 0.042 0.000 2.133 307 D HA -0.212 4.427 4.640 -0.000 0.000 0.195 307 D C 1.586 177.907 176.300 0.035 0.000 0.997 307 D CA 1.630 55.645 54.000 0.024 0.000 0.840 307 D CB -0.638 40.158 40.800 -0.006 0.000 0.947 307 D HN 0.499 nan 8.370 nan 0.000 0.452 308 N N 0.366 119.087 118.700 0.034 0.000 2.104 308 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 308 N C 1.687 177.234 175.510 0.063 0.000 1.024 308 N CA 1.161 54.237 53.050 0.042 0.000 0.853 308 N CB -0.059 38.449 38.487 0.034 0.000 1.008 308 N HN -0.035 nan 8.380 nan 0.000 0.424 309 V N 0.684 120.640 119.914 0.070 0.000 2.255 309 V HA -0.123 3.996 4.120 -0.000 0.000 0.243 309 V C 2.283 178.444 176.094 0.111 0.000 1.038 309 V CA 1.458 63.816 62.300 0.096 0.000 1.008 309 V CB -0.523 31.360 31.823 0.101 0.000 0.645 309 V HN 0.323 nan 8.190 nan 0.000 0.449 310 I N 0.283 120.902 120.570 0.082 0.000 2.194 310 I HA -0.283 3.887 4.170 -0.000 0.000 0.246 310 I C 2.572 178.798 176.117 0.181 0.000 1.093 310 I CA 1.736 63.091 61.300 0.092 0.000 1.355 310 I CB -0.470 37.554 38.000 0.041 0.000 1.046 310 I HN 0.257 nan 8.210 nan 0.000 0.413 311 S N -0.013 115.771 115.700 0.141 0.000 2.400 311 S HA -0.219 4.250 4.470 -0.000 0.000 0.232 311 S C 1.716 176.422 174.600 0.177 0.000 1.025 311 S CA 1.192 59.491 58.200 0.165 0.000 0.993 311 S CB -0.242 63.017 63.200 0.098 0.000 0.808 311 S HN 0.524 nan 8.310 nan 0.000 0.478 312 Q N 0.138 120.025 119.800 0.145 0.000 2.415 312 Q HA 0.225 4.565 4.340 -0.000 0.000 0.206 312 Q C 1.225 177.309 176.000 0.140 0.000 0.946 312 Q CA 0.213 56.091 55.803 0.124 0.000 0.951 312 Q CB -0.066 28.735 28.738 0.105 0.000 1.026 312 Q HN 0.490 nan 8.270 nan 0.000 0.510 313 L N -0.189 121.148 121.223 0.191 0.000 2.529 313 L HA 0.098 4.438 4.340 -0.000 0.000 0.223 313 L C 0.488 177.400 176.870 0.071 0.000 1.113 313 L CA -0.277 54.679 54.840 0.193 0.000 0.861 313 L CB 0.099 42.315 42.059 0.262 0.000 1.012 313 L HN 0.128 nan 8.230 nan 0.000 0.461 314 D N 1.189 121.633 120.400 0.074 0.000 2.583 314 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 314 D C 0.108 176.178 176.300 -0.384 0.000 1.128 314 D CA 0.989 54.890 54.000 -0.165 0.000 0.859 314 D CB 0.610 41.460 40.800 0.083 0.000 1.169 314 D HN -0.028 nan 8.370 nan 0.000 0.481 315 T N 1.822 115.916 114.554 -0.767 0.000 2.942 315 T HA 0.214 4.564 4.350 -0.000 0.000 0.327 315 T C 0.655 175.007 174.700 -0.581 0.000 1.360 315 T CA -0.765 60.949 62.100 -0.644 0.000 1.055 315 T CB 1.038 69.465 68.868 -0.734 0.000 1.261 315 T HN 0.333 nan 8.240 nan 0.000 0.485 316 K N 2.250 122.469 120.400 -0.302 0.000 2.280 316 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 316 K C 1.927 178.430 176.600 -0.162 0.000 1.047 316 K CA 1.227 57.409 56.287 -0.176 0.000 0.942 316 K CB -0.217 32.230 32.500 -0.089 0.000 0.739 316 K HN 0.600 nan 8.250 nan 0.000 0.457 317 I N 0.419 120.847 120.570 -0.238 0.000 2.248 317 I HA -0.284 3.885 4.170 -0.000 0.000 0.248 317 I C 1.513 177.619 176.117 -0.019 0.000 1.107 317 I CA 1.120 62.343 61.300 -0.129 0.000 1.373 317 I CB -0.333 37.572 38.000 -0.158 0.000 1.055 317 I HN 0.062 nan 8.210 nan 0.000 0.418 318 F N 1.091 120.935 119.950 -0.177 0.000 2.494 318 F HA -0.151 4.375 4.527 -0.000 0.000 0.298 318 F C 2.198 177.927 175.800 -0.118 0.000 1.106 318 F CA 0.695 58.562 58.000 -0.221 0.000 1.452 318 F CB -1.291 37.396 39.000 -0.522 0.000 1.085 318 F HN 0.215 nan 8.300 nan 0.000 0.569 319 N N 0.022 118.774 118.700 0.085 0.000 2.331 319 N HA -0.094 4.645 4.740 -0.000 0.000 0.180 319 N C 0.576 176.141 175.510 0.091 0.000 1.019 319 N CA 0.577 53.676 53.050 0.081 0.000 0.881 319 N CB -0.091 38.427 38.487 0.052 0.000 0.972 319 N HN 0.212 nan 8.380 nan 0.000 0.435 320 E N 1.399 121.653 120.200 0.089 0.000 2.338 320 E HA 0.001 4.350 4.350 -0.000 0.000 0.272 320 E C -0.504 176.150 176.600 0.090 0.000 1.029 320 E CA -0.087 56.370 56.400 0.096 0.000 0.872 320 E CB 0.690 30.450 29.700 0.100 0.000 1.015 320 E HN 0.016 nan 8.360 nan 0.000 0.417 321 D N 3.664 124.119 120.400 0.093 0.000 2.498 321 D HA 0.040 4.680 4.640 -0.000 0.000 0.229 321 D C 1.074 177.348 176.300 -0.044 0.000 1.188 321 D CA 0.015 54.059 54.000 0.073 0.000 1.028 321 D CB -0.096 40.793 40.800 0.148 0.000 1.087 321 D HN 0.358 nan 8.370 nan 0.000 0.510 322 L N 2.027 123.232 121.223 -0.030 0.000 2.042 322 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 322 L C 1.780 178.575 176.870 -0.124 0.000 1.076 322 L CA 0.799 55.625 54.840 -0.024 0.000 0.749 322 L CB -0.108 41.917 42.059 -0.056 0.000 0.893 322 L HN 0.237 nan 8.230 nan 0.000 0.432 323 V N -1.615 118.236 119.914 -0.105 0.000 3.271 323 V HA 0.138 4.258 4.120 -0.000 0.000 0.327 323 V C 0.113 176.357 176.094 0.250 0.000 1.389 323 V CA -0.382 61.937 62.300 0.031 0.000 1.156 323 V CB -1.007 30.771 31.823 -0.075 0.000 1.103 323 V HN 0.360 nan 8.190 nan 0.000 0.453 324 F N 0.128 120.263 119.950 0.307 0.000 3.067 324 F HA -0.339 4.188 4.527 -0.000 0.000 0.279 324 F C 1.744 177.701 175.800 0.261 0.000 0.945 324 F CA 0.219 58.370 58.000 0.252 0.000 0.948 324 F CB -1.604 37.530 39.000 0.225 0.000 0.898 324 F HN 0.286 nan 8.300 nan 0.000 0.746 325 A N 0.178 123.231 122.820 0.390 0.000 1.902 325 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 325 A C 1.967 179.672 177.584 0.201 0.000 1.181 325 A CA 1.834 54.076 52.037 0.341 0.000 0.623 325 A CB -0.266 18.922 19.000 0.313 0.000 0.818 325 A HN 0.539 nan 8.150 nan 0.000 0.443 326 N N 0.261 119.078 118.700 0.194 0.000 2.370 326 N HA 0.015 4.755 4.740 -0.000 0.000 0.198 326 N C -0.290 175.300 175.510 0.133 0.000 1.156 326 N CA 0.609 53.743 53.050 0.141 0.000 0.839 326 N CB 0.258 38.824 38.487 0.131 0.000 0.989 326 N HN 0.512 nan 8.380 nan 0.000 0.468 327 D N -0.461 120.036 120.400 0.161 0.000 2.490 327 D HA 0.154 4.793 4.640 -0.000 0.000 0.246 327 D C 0.293 176.629 176.300 0.059 0.000 1.196 327 D CA -0.029 54.036 54.000 0.108 0.000 0.812 327 D CB 1.601 42.478 40.800 0.129 0.000 1.191 327 D HN 0.107 nan 8.370 nan 0.000 0.531 328 L N 1.314 122.580 121.223 0.072 0.000 2.325 328 L HA 0.261 4.601 4.340 -0.000 0.000 0.279 328 L C 0.950 177.795 176.870 -0.042 0.000 1.054 328 L CA -0.370 54.471 54.840 0.002 0.000 0.804 328 L CB 1.853 43.903 42.059 -0.015 0.000 1.200 328 L HN -0.114 nan 8.230 nan 0.000 0.436 329 S N 1.627 117.300 115.700 -0.045 0.000 2.569 329 S HA 0.012 4.481 4.470 -0.000 0.000 0.274 329 S C 0.936 175.499 174.600 -0.061 0.000 1.353 329 S CA -0.226 57.953 58.200 -0.036 0.000 1.023 329 S CB 0.558 63.747 63.200 -0.019 0.000 0.876 329 S HN 0.607 nan 8.310 nan 0.000 0.540 330 L N 2.956 124.154 121.223 -0.042 0.000 2.313 330 L HA 0.022 4.362 4.340 -0.000 0.000 0.214 330 L C 2.264 179.114 176.870 -0.033 0.000 1.119 330 L CA 1.613 56.423 54.840 -0.051 0.000 0.809 330 L CB -0.467 41.578 42.059 -0.022 0.000 0.933 330 L HN 1.009 nan 8.230 nan 0.000 0.449 331 T N -3.645 110.906 114.554 -0.005 0.000 3.044 331 T HA 0.002 4.352 4.350 -0.000 0.000 0.255 331 T C 1.824 176.561 174.700 0.061 0.000 1.073 331 T CA 0.169 62.285 62.100 0.028 0.000 1.125 331 T CB -0.213 68.675 68.868 0.034 0.000 0.908 331 T HN 0.206 nan 8.240 nan 0.000 0.480 332 L N 0.583 121.830 121.223 0.041 0.000 2.093 332 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 332 L C 2.778 179.722 176.870 0.123 0.000 1.085 332 L CA 1.350 56.245 54.840 0.092 0.000 0.755 332 L CB -0.311 41.745 42.059 -0.005 0.000 0.904 332 L HN 0.255 nan 8.230 nan 0.000 0.435 333 K N -0.370 119.986 120.400 -0.072 0.000 2.097 333 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 333 K C 1.542 178.187 176.600 0.075 0.000 1.049 333 K CA 1.350 57.455 56.287 -0.304 0.000 0.933 333 K CB -0.087 32.005 32.500 -0.680 0.000 0.717 333 K HN 0.371 nan 8.250 nan 0.000 0.442 334 D N 0.564 121.029 120.400 0.109 0.000 2.194 334 D HA -0.113 4.527 4.640 -0.000 0.000 0.204 334 D C 1.722 178.169 176.300 0.245 0.000 0.964 334 D CA 0.838 54.940 54.000 0.169 0.000 0.846 334 D CB 0.136 40.999 40.800 0.105 0.000 0.962 334 D HN 0.285 nan 8.370 nan 0.000 0.490 335 E N 0.108 120.473 120.200 0.275 0.000 2.072 335 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 335 E C 1.953 178.837 176.600 0.473 0.000 0.985 335 E CA 0.315 56.889 56.400 0.288 0.000 0.801 335 E CB -0.090 29.800 29.700 0.317 0.000 0.750 335 E HN 0.247 nan 8.360 nan 0.000 0.452 336 F N 1.239 121.515 119.950 0.544 0.000 2.095 336 F HA -0.245 4.282 4.527 -0.000 0.000 0.298 336 F C 2.434 178.587 175.800 0.588 0.000 1.104 336 F CA 0.826 59.261 58.000 0.726 0.000 1.232 336 F CB 0.165 39.593 39.000 0.714 0.000 0.987 336 F HN -0.045 nan 8.300 nan 0.000 0.475 337 R N 0.069 120.965 120.500 0.661 0.000 2.096 337 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 337 R C 2.201 178.742 176.300 0.401 0.000 1.127 337 R CA 1.452 57.814 56.100 0.437 0.000 0.968 337 R CB -0.988 29.499 30.300 0.313 0.000 0.861 337 R HN 0.269 nan 8.270 nan 0.000 0.440 338 S N 0.718 116.618 115.700 0.333 0.000 2.383 338 S HA -0.041 4.429 4.470 -0.000 0.000 0.227 338 S C 1.884 176.620 174.600 0.227 0.000 1.026 338 S CA 0.732 59.068 58.200 0.226 0.000 0.981 338 S CB -0.059 63.225 63.200 0.141 0.000 0.818 338 S HN 0.211 nan 8.310 nan 0.000 0.472 339 R N 0.414 121.067 120.500 0.255 0.000 2.083 339 R HA 0.060 4.400 4.340 -0.000 0.000 0.237 339 R C 0.742 177.224 176.300 0.303 0.000 1.137 339 R CA 0.879 57.069 56.100 0.150 0.000 0.951 339 R CB -0.908 29.363 30.300 -0.048 0.000 0.851 339 R HN 0.357 nan 8.270 nan 0.000 0.434 343 V N 1.543 121.458 119.914 0.001 0.000 2.515 343 V HA -0.119 4.001 4.120 -0.000 0.000 0.250 343 V C 1.870 177.912 176.094 -0.088 0.000 1.058 343 V CA 2.145 64.364 62.300 -0.134 0.000 1.064 343 V CB -0.490 31.113 31.823 -0.368 0.000 0.675 343 V HN 0.399 nan 8.190 nan 0.000 0.461 344 T N -0.527 114.040 114.554 0.021 0.000 2.962 344 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 344 T C 1.861 176.588 174.700 0.044 0.000 1.088 344 T CA 1.133 63.270 62.100 0.061 0.000 1.127 344 T CB -0.124 68.825 68.868 0.134 0.000 0.883 344 T HN 0.498 nan 8.240 nan 0.000 0.493 345 K N 0.839 121.265 120.400 0.044 0.000 2.076 345 K HA 0.140 4.459 4.320 -0.000 0.000 0.204 345 K C 2.172 178.707 176.600 -0.108 0.000 1.051 345 K CA 0.884 57.223 56.287 0.087 0.000 0.949 345 K CB -0.218 32.484 32.500 0.337 0.000 0.726 345 K HN 0.367 nan 8.250 nan 0.000 0.443 346 I N 0.937 121.214 120.570 -0.488 0.000 2.423 346 I HA -0.249 3.921 4.170 -0.000 0.000 0.254 346 I C 1.930 177.908 176.117 -0.231 0.000 1.151 346 I CA 0.706 61.615 61.300 -0.652 0.000 1.421 346 I CB -0.537 37.041 38.000 -0.702 0.000 1.079 346 I HN 0.118 nan 8.210 nan 0.000 0.431 347 M N 0.634 120.149 119.600 -0.141 0.000 2.260 347 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 347 M C 1.419 177.703 176.300 -0.026 0.000 1.066 347 M CA 1.573 56.835 55.300 -0.064 0.000 1.082 347 M CB -1.287 31.313 32.600 -0.001 0.000 1.388 347 M HN 0.246 nan 8.290 nan 0.000 0.419 348 D N -0.826 119.577 120.400 0.006 0.000 2.371 348 D HA -0.031 4.608 4.640 -0.000 0.000 0.221 348 D C 1.653 177.981 176.300 0.047 0.000 0.986 348 D CA 0.577 54.605 54.000 0.048 0.000 0.899 348 D CB -0.068 40.790 40.800 0.097 0.000 0.902 348 D HN 0.388 nan 8.370 nan 0.000 0.530 349 c N 0.286 118.906 118.600 0.033 0.000 2.594 349 c HA 0.123 4.693 4.570 -0.000 0.000 0.265 349 c C 1.069 175.151 174.090 -0.013 0.000 1.351 349 c CA -0.455 55.912 56.329 0.064 0.000 1.744 349 c CB -0.275 42.338 42.510 0.172 0.000 1.890 349 c HN -0.035 nan 8.230 nan 0.000 0.551 350 V N 3.080 122.960 119.914 -0.057 0.000 2.397 350 V HA 0.018 4.138 4.120 -0.000 0.000 0.262 350 V C 1.084 177.048 176.094 -0.217 0.000 1.047 350 V CA 0.619 62.842 62.300 -0.128 0.000 1.003 350 V CB 0.646 32.372 31.823 -0.162 0.000 1.037 350 V HN 0.451 nan 8.190 nan 0.000 0.480 351 Q N 2.097 121.754 119.800 -0.238 0.000 2.369 351 Q HA -0.039 4.301 4.340 -0.000 0.000 0.206 351 Q C 1.155 176.923 176.000 -0.386 0.000 0.963 351 Q CA 0.428 56.088 55.803 -0.238 0.000 0.894 351 Q CB -0.204 28.463 28.738 -0.118 0.000 0.965 351 Q HN 0.837 nan 8.270 nan 0.000 0.475 352 C N 2.282 121.153 119.300 -0.714 0.000 2.464 352 C HA 0.143 4.603 4.460 -0.000 0.000 0.370 352 C C 1.352 176.067 174.990 -0.459 0.000 1.267 352 C CA -0.895 57.742 59.018 -0.636 0.000 1.781 352 C CB -0.050 27.148 27.740 -0.905 0.000 2.431 352 C HN 0.309 nan 8.230 nan 0.000 0.556 353 D N 3.048 123.177 120.400 -0.452 0.000 2.104 353 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 353 D C 2.171 178.167 176.300 -0.507 0.000 0.994 353 D CA 1.677 55.320 54.000 -0.594 0.000 0.830 353 D CB -0.099 40.068 40.800 -1.056 0.000 0.959 353 D HN 0.738 nan 8.370 nan 0.000 0.452 354 R N -0.257 120.013 120.500 -0.383 0.000 2.115 354 R HA 0.001 4.340 4.340 -0.000 0.000 0.226 354 R C 2.414 178.797 176.300 0.139 0.000 1.100 354 R CA 0.750 56.866 56.100 0.027 0.000 0.980 354 R CB -0.216 30.125 30.300 0.067 0.000 0.875 354 R HN 0.243 nan 8.270 nan 0.000 0.445 355 C N -0.180 119.104 119.300 -0.027 0.000 2.457 355 C HA 0.015 4.474 4.460 -0.000 0.000 0.278 355 C C 2.577 177.588 174.990 0.036 0.000 1.309 355 C CA 0.195 59.224 59.018 0.018 0.000 1.735 355 C CB -0.771 26.884 27.740 -0.142 0.000 1.992 355 C HN 0.478 nan 8.230 nan 0.000 0.493 356 R N 0.924 121.394 120.500 -0.049 0.000 2.073 356 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 356 R C 2.173 178.515 176.300 0.071 0.000 1.134 356 R CA 1.617 57.714 56.100 -0.004 0.000 0.952 356 R CB -0.553 29.730 30.300 -0.028 0.000 0.850 356 R HN 0.440 nan 8.270 nan 0.000 0.433 357 L N 0.230 121.523 121.223 0.117 0.000 1.956 357 L HA -0.183 4.156 4.340 -0.000 0.000 0.216 357 L C 1.754 178.510 176.870 -0.189 0.000 1.073 357 L CA 2.042 56.907 54.840 0.042 0.000 0.762 357 L CB -0.998 41.152 42.059 0.152 0.000 0.889 357 L HN 0.296 nan 8.230 nan 0.000 0.433 358 W N -0.140 121.180 121.300 0.034 0.000 2.425 358 W HA 0.055 4.715 4.660 -0.000 0.000 0.277 358 W C 2.425 178.976 176.519 0.053 0.000 1.231 358 W CA 1.162 58.496 57.345 -0.018 0.000 1.248 358 W CB -0.760 28.691 29.460 -0.015 0.000 1.117 358 W HN 0.365 nan 8.180 nan 0.000 0.568 359 G N 0.247 109.213 108.800 0.276 0.000 2.404 359 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 359 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 359 G C 1.423 176.401 174.900 0.130 0.000 1.174 359 G CA 1.235 46.545 45.100 0.350 0.000 0.780 359 G HN 0.213 nan 8.290 nan 0.000 0.537 360 K N 0.123 120.553 120.400 0.051 0.000 2.057 360 K HA 0.029 4.348 4.320 -0.000 0.000 0.207 360 K C 2.434 178.982 176.600 -0.088 0.000 1.049 360 K CA 1.028 57.335 56.287 0.034 0.000 0.931 360 K CB -0.289 32.285 32.500 0.125 0.000 0.714 360 K HN 0.370 nan 8.250 nan 0.000 0.440 361 I N 0.782 121.145 120.570 -0.346 0.000 2.226 361 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 361 I C 2.335 178.232 176.117 -0.366 0.000 1.100 361 I CA 1.416 62.306 61.300 -0.683 0.000 1.374 361 I CB -0.241 37.128 38.000 -1.051 0.000 1.057 361 I HN 0.324 nan 8.210 nan 0.000 0.413 362 Q N 0.072 119.747 119.800 -0.207 0.000 2.137 362 Q HA -0.140 4.200 4.340 -0.000 0.000 0.198 362 Q C 2.302 178.121 176.000 -0.303 0.000 0.960 362 Q CA 2.051 57.692 55.803 -0.271 0.000 0.847 362 Q CB -0.250 28.432 28.738 -0.094 0.000 0.915 362 Q HN 0.623 nan 8.270 nan 0.000 0.448 363 T N -1.518 112.902 114.554 -0.222 0.000 2.821 363 T HA -0.113 4.236 4.350 -0.000 0.000 0.267 363 T C 1.995 176.766 174.700 0.118 0.000 1.046 363 T CA 1.632 63.752 62.100 0.034 0.000 1.139 363 T CB -0.640 68.241 68.868 0.020 0.000 0.871 363 T HN 0.092 nan 8.240 nan 0.000 0.454 364 T N 1.422 115.983 114.554 0.012 0.000 2.821 364 T HA 0.090 4.439 4.350 -0.000 0.000 0.267 364 T C 2.292 176.941 174.700 -0.085 0.000 1.046 364 T CA 1.167 63.281 62.100 0.025 0.000 1.139 364 T CB -0.995 67.896 68.868 0.038 0.000 0.871 364 T HN 0.620 nan 8.240 nan 0.000 0.454 365 G N 0.053 108.723 108.800 -0.217 0.000 2.421 365 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 365 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 365 G C 1.231 175.909 174.900 -0.370 0.000 1.171 365 G CA 0.549 45.450 45.100 -0.331 0.000 0.775 365 G HN 0.520 nan 8.290 nan 0.000 0.543 366 Y N 1.100 121.263 120.300 -0.229 0.000 2.200 366 Y HA 0.030 4.580 4.550 -0.000 0.000 0.290 366 Y C 3.221 178.817 175.900 -0.507 0.000 1.137 366 Y CA 0.748 58.607 58.100 -0.402 0.000 1.163 366 Y CB -0.192 37.963 38.460 -0.509 0.000 0.988 366 Y HN 0.265 nan 8.280 nan 0.000 0.518 367 A N -0.315 122.394 122.820 -0.185 0.000 1.940 367 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 367 A C 2.210 179.715 177.584 -0.132 0.000 1.176 367 A CA 2.268 54.230 52.037 -0.124 0.000 0.631 367 A CB -1.161 17.909 19.000 0.117 0.000 0.814 367 A HN 0.420 nan 8.150 nan 0.000 0.446 368 T N 0.161 114.642 114.554 -0.121 0.000 2.737 368 T HA 0.035 4.385 4.350 -0.000 0.000 0.265 368 T C 2.297 176.886 174.700 -0.184 0.000 1.038 368 T CA 1.505 63.536 62.100 -0.115 0.000 1.144 368 T CB -0.508 68.300 68.868 -0.099 0.000 0.866 368 T HN 0.603 nan 8.240 nan 0.000 0.434 369 A N 1.423 124.098 122.820 -0.240 0.000 1.892 369 A HA -0.069 4.250 4.320 -0.000 0.000 0.218 369 A C 2.334 179.696 177.584 -0.370 0.000 1.188 369 A CA 1.424 53.291 52.037 -0.284 0.000 0.631 369 A CB -1.036 17.794 19.000 -0.283 0.000 0.822 369 A HN 0.465 nan 8.150 nan 0.000 0.447 370 L N -0.553 120.386 121.223 -0.474 0.000 2.012 370 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 370 L C 2.698 179.233 176.870 -0.558 0.000 1.073 370 L CA 2.119 56.509 54.840 -0.751 0.000 0.748 370 L CB -0.464 41.109 42.059 -0.811 0.000 0.891 370 L HN 0.571 nan 8.230 nan 0.000 0.431 371 K N 0.899 121.147 120.400 -0.253 0.000 2.032 371 K HA -0.226 4.093 4.320 -0.000 0.000 0.209 371 K C 2.066 178.612 176.600 -0.091 0.000 1.048 371 K CA 1.731 57.971 56.287 -0.079 0.000 0.927 371 K CB -0.202 32.273 32.500 -0.043 0.000 0.712 371 K HN 0.212 nan 8.250 nan 0.000 0.441 372 I N 1.254 121.734 120.570 -0.151 0.000 2.099 372 I HA -0.336 3.834 4.170 -0.000 0.000 0.239 372 I C 2.444 178.480 176.117 -0.134 0.000 1.066 372 I CA 1.404 62.619 61.300 -0.141 0.000 1.324 372 I CB -0.358 37.543 38.000 -0.164 0.000 1.037 372 I HN 0.222 nan 8.210 nan 0.000 0.401 373 L N -0.326 120.771 121.223 -0.209 0.000 2.079 373 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 373 L C 2.531 179.396 176.870 -0.007 0.000 1.081 373 L CA 1.638 56.374 54.840 -0.174 0.000 0.752 373 L CB -0.571 41.304 42.059 -0.306 0.000 0.896 373 L HN 0.187 nan 8.230 nan 0.000 0.433 374 F N 0.011 119.913 119.950 -0.080 0.000 2.098 374 F HA -0.180 4.346 4.527 -0.001 0.000 0.294 374 F C 2.642 178.422 175.800 -0.034 0.000 1.107 374 F CA 0.752 58.727 58.000 -0.041 0.000 1.234 374 F CB -0.071 38.906 39.000 -0.038 0.000 1.002 374 F HN 0.069 nan 8.300 nan 0.000 0.472 375 E N 0.691 120.983 120.200 0.152 0.000 2.028 375 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 375 E C 2.136 178.734 176.600 -0.004 0.000 0.988 375 E CA 1.219 57.651 56.400 0.053 0.000 0.799 375 E CB -0.220 29.489 29.700 0.014 0.000 0.755 375 E HN 0.430 nan 8.360 nan 0.000 0.447 376 I N 1.959 122.501 120.570 -0.047 0.000 2.657 376 I HA -0.251 3.918 4.170 -0.000 0.000 0.261 376 I C 2.238 178.327 176.117 -0.045 0.000 1.212 376 I CA 0.590 61.831 61.300 -0.099 0.000 1.453 376 I CB -0.360 37.553 38.000 -0.145 0.000 1.092 376 I HN 0.149 nan 8.210 nan 0.000 0.452 377 N N 1.548 120.257 118.700 0.015 0.000 2.025 377 N HA -0.248 4.491 4.740 -0.000 0.000 0.194 377 N C 1.415 176.945 175.510 0.035 0.000 1.044 377 N CA 1.943 55.023 53.050 0.049 0.000 0.851 377 N CB -0.093 38.459 38.487 0.108 0.000 1.036 377 N HN 0.167 nan 8.380 nan 0.000 0.422 378 D N 0.383 120.801 120.400 0.029 0.000 2.354 378 D HA -0.020 4.620 4.640 -0.000 0.000 0.216 378 D C 1.218 177.523 176.300 0.008 0.000 0.970 378 D CA 1.060 55.073 54.000 0.021 0.000 0.905 378 D CB -0.465 40.346 40.800 0.018 0.000 0.903 378 D HN 0.525 nan 8.370 nan 0.000 0.508 379 A N 1.004 123.814 122.820 -0.016 0.000 5.691 379 A HA -0.256 4.063 4.320 -0.000 0.000 0.271 379 A C 0.094 177.656 177.584 -0.036 0.000 2.133 379 A CA 0.864 52.880 52.037 -0.035 0.000 0.713 379 A CB -1.340 17.660 19.000 -0.000 0.000 1.115 379 A HN 0.454 nan 8.150 nan 0.000 0.356 380 D N -2.434 117.962 120.400 -0.007 0.000 4.280 380 D HA -0.093 4.546 4.640 -0.000 0.000 0.225 380 D C 0.561 176.871 176.300 0.016 0.000 1.273 380 D CA 1.003 55.019 54.000 0.025 0.000 0.948 380 D CB -0.638 40.185 40.800 0.039 0.000 0.545 380 D HN 0.570 nan 8.370 nan 0.000 0.247 381 E N 2.581 122.820 120.200 0.064 0.000 2.114 381 E HA -0.197 4.153 4.350 -0.000 0.000 0.199 381 E C 1.608 178.279 176.600 0.119 0.000 1.008 381 E CA 1.488 57.951 56.400 0.106 0.000 0.810 381 E CB -0.349 29.448 29.700 0.162 0.000 0.739 381 E HN 0.685 nan 8.360 nan 0.000 0.456 382 F N 1.987 121.950 119.950 0.022 0.000 2.075 382 F HA -0.208 4.319 4.527 -0.001 0.000 0.297 382 F C 2.344 178.153 175.800 0.014 0.000 1.113 382 F CA 1.952 59.965 58.000 0.022 0.000 1.218 382 F CB -0.742 38.258 39.000 0.000 0.000 0.984 382 F HN -0.070 nan 8.300 nan 0.000 0.472 383 T N 1.052 115.516 114.554 -0.149 0.000 2.622 383 T HA -0.236 4.113 4.350 -0.000 0.000 0.266 383 T C 1.977 176.531 174.700 -0.243 0.000 1.047 383 T CA 2.028 63.998 62.100 -0.216 0.000 1.159 383 T CB -0.358 68.471 68.868 -0.065 0.000 0.863 383 T HN 0.232 nan 8.240 nan 0.000 0.422 384 K N 0.602 120.830 120.400 -0.286 0.000 2.059 384 K HA -0.242 4.077 4.320 -0.000 0.000 0.212 384 K C 2.556 178.858 176.600 -0.497 0.000 1.050 384 K CA 1.754 57.726 56.287 -0.524 0.000 0.927 384 K CB -0.250 31.683 32.500 -0.946 0.000 0.714 384 K HN 0.196 nan 8.250 nan 0.000 0.447 385 Q N 0.490 120.123 119.800 -0.277 0.000 2.135 385 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 385 Q C 1.874 177.794 176.000 -0.133 0.000 0.981 385 Q CA 1.892 57.685 55.803 -0.016 0.000 0.856 385 Q CB -0.293 28.501 28.738 0.093 0.000 0.902 385 Q HN 0.460 nan 8.270 nan 0.000 0.425 386 H N -0.503 118.343 119.070 -0.372 0.000 2.333 386 H HA 0.032 4.587 4.556 -0.001 0.000 0.302 386 H C 1.741 176.901 175.328 -0.280 0.000 1.075 386 H CA 1.933 57.751 56.048 -0.385 0.000 1.348 386 H CB -0.212 29.215 29.762 -0.559 0.000 1.393 386 H HN 0.317 nan 8.280 nan 0.000 0.509 387 I N -0.304 120.075 120.570 -0.318 0.000 2.151 387 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 387 I C 2.200 178.152 176.117 -0.275 0.000 1.080 387 I CA 1.495 62.618 61.300 -0.295 0.000 1.339 387 I CB -0.321 37.560 38.000 -0.199 0.000 1.039 387 I HN 0.191 nan 8.210 nan 0.000 0.409 388 V N 0.769 120.555 119.914 -0.213 0.000 2.453 388 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 388 V C 2.494 178.515 176.094 -0.123 0.000 1.048 388 V CA 1.941 64.165 62.300 -0.127 0.000 1.049 388 V CB -1.107 30.698 31.823 -0.030 0.000 0.672 388 V HN 0.571 nan 8.190 nan 0.000 0.457 389 G N -0.738 107.962 108.800 -0.167 0.000 2.421 389 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.217 389 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.217 389 G C 1.424 176.178 174.900 -0.244 0.000 1.143 389 G CA 0.335 45.350 45.100 -0.142 0.000 0.784 389 G HN 0.469 nan 8.290 nan 0.000 0.541 390 K N -0.220 119.882 120.400 -0.495 0.000 2.520 390 K HA 0.275 4.595 4.320 -0.000 0.000 0.205 390 K C -0.313 176.091 176.600 -0.327 0.000 1.035 390 K CA -0.553 55.253 56.287 -0.802 0.000 1.188 390 K CB -0.161 31.639 32.500 -1.167 0.000 0.894 390 K HN 0.106 nan 8.250 nan 0.000 0.497 391 L N 1.618 122.789 121.223 -0.086 0.000 2.326 391 L HA 0.174 4.513 4.340 -0.000 0.000 0.278 391 L C 0.204 177.189 176.870 0.192 0.000 1.092 391 L CA 0.120 54.986 54.840 0.044 0.000 0.810 391 L CB 1.306 43.348 42.059 -0.029 0.000 1.153 391 L HN 0.156 nan 8.230 nan 0.000 0.439 392 T N 0.366 115.064 114.554 0.241 0.000 2.913 392 T HA 0.210 4.559 4.350 -0.000 0.000 0.287 392 T C 1.070 175.824 174.700 0.089 0.000 1.008 392 T CA -0.571 61.645 62.100 0.194 0.000 1.067 392 T CB 0.826 69.858 68.868 0.273 0.000 0.996 392 T HN 0.677 nan 8.240 nan 0.000 0.513 393 K N 0.552 120.939 120.400 -0.021 0.000 2.113 393 K HA -0.227 4.092 4.320 -0.000 0.000 0.208 393 K C 1.782 178.357 176.600 -0.041 0.000 1.047 393 K CA 1.398 57.616 56.287 -0.115 0.000 0.928 393 K CB -0.434 31.904 32.500 -0.270 0.000 0.716 393 K HN 0.768 nan 8.250 nan 0.000 0.446 394 Y N 1.895 122.139 120.300 -0.093 0.000 2.128 394 Y HA -0.248 4.302 4.550 -0.001 0.000 0.284 394 Y C 1.747 177.723 175.900 0.126 0.000 1.154 394 Y CA 2.227 60.327 58.100 0.001 0.000 1.149 394 Y CB -0.085 38.448 38.460 0.122 0.000 0.976 394 Y HN 0.208 nan 8.280 nan 0.000 0.505 395 E N -0.259 120.071 120.200 0.215 0.000 2.051 395 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 395 E C 2.058 178.667 176.600 0.015 0.000 0.991 395 E CA 1.292 57.743 56.400 0.084 0.000 0.799 395 E CB -0.403 29.371 29.700 0.123 0.000 0.748 395 E HN 0.428 nan 8.360 nan 0.000 0.449 396 L N 1.177 122.424 121.223 0.040 0.000 2.083 396 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 396 L C 1.988 178.970 176.870 0.187 0.000 1.083 396 L CA 1.438 56.322 54.840 0.074 0.000 0.752 396 L CB -0.151 41.942 42.059 0.055 0.000 0.899 396 L HN 0.130 nan 8.230 nan 0.000 0.433 397 I N -0.772 119.903 120.570 0.175 0.000 2.202 397 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 397 I C 2.581 178.743 176.117 0.074 0.000 1.091 397 I CA 1.134 62.596 61.300 0.270 0.000 1.368 397 I CB -0.666 37.434 38.000 0.166 0.000 1.058 397 I HN 0.339 nan 8.210 nan 0.000 0.410 398 A N 0.794 123.581 122.820 -0.054 0.000 1.883 398 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 398 A C 2.263 179.736 177.584 -0.185 0.000 1.186 398 A CA 1.635 53.541 52.037 -0.218 0.000 0.624 398 A CB -0.885 17.968 19.000 -0.244 0.000 0.822 398 A HN 0.373 nan 8.150 nan 0.000 0.444 399 L N -0.894 120.251 121.223 -0.130 0.000 1.970 399 L HA -0.140 4.199 4.340 -0.000 0.000 0.212 399 L C 2.294 179.091 176.870 -0.122 0.000 1.071 399 L CA 2.212 56.959 54.840 -0.155 0.000 0.751 399 L CB -0.565 41.416 42.059 -0.130 0.000 0.889 399 L HN 0.351 nan 8.230 nan 0.000 0.432 400 L N -0.908 120.267 121.223 -0.081 0.000 2.201 400 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 400 L C 2.380 179.208 176.870 -0.069 0.000 1.105 400 L CA 1.490 56.267 54.840 -0.106 0.000 0.775 400 L CB -0.615 41.250 42.059 -0.323 0.000 0.913 400 L HN 0.390 nan 8.230 nan 0.000 0.440 401 Q N -1.260 118.503 119.800 -0.062 0.000 2.245 401 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 401 Q C 2.077 178.101 176.000 0.040 0.000 0.955 401 Q CA 1.660 57.469 55.803 0.010 0.000 0.870 401 Q CB -0.234 28.493 28.738 -0.018 0.000 0.945 401 Q HN 0.482 nan 8.270 nan 0.000 0.461 402 T N 0.852 115.369 114.554 -0.062 0.000 2.857 402 T HA -0.072 4.278 4.350 -0.000 0.000 0.266 402 T C 1.364 176.043 174.700 -0.036 0.000 1.048 402 T CA 0.541 62.570 62.100 -0.117 0.000 1.139 402 T CB -0.248 68.394 68.868 -0.376 0.000 0.874 402 T HN 0.173 nan 8.240 nan 0.000 0.455 403 F N 2.193 122.029 119.950 -0.190 0.000 2.186 403 F HA 0.119 4.646 4.527 -0.001 0.000 0.299 403 F C 2.315 178.067 175.800 -0.080 0.000 1.090 403 F CA 0.825 58.719 58.000 -0.178 0.000 1.307 403 F CB -0.878 37.991 39.000 -0.220 0.000 1.019 403 F HN 0.160 nan 8.300 nan 0.000 0.489 404 G N 0.268 109.025 108.800 -0.071 0.000 2.422 404 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.218 404 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.218 404 G C 1.860 176.700 174.900 -0.100 0.000 1.146 404 G CA 0.399 45.424 45.100 -0.124 0.000 0.769 404 G HN 0.141 nan 8.290 nan 0.000 0.547 405 R N 0.029 120.505 120.500 -0.039 0.000 2.090 405 R HA 0.169 4.508 4.340 -0.000 0.000 0.228 405 R C 2.655 178.977 176.300 0.036 0.000 1.110 405 R CA 0.440 56.537 56.100 -0.005 0.000 0.973 405 R CB -0.982 29.328 30.300 0.017 0.000 0.869 405 R HN 0.410 nan 8.270 nan 0.000 0.440 406 L N 0.116 121.352 121.223 0.021 0.000 2.027 406 L HA -0.133 4.207 4.340 -0.000 0.000 0.206 406 L C 2.559 179.427 176.870 -0.002 0.000 1.074 406 L CA 1.531 56.416 54.840 0.075 0.000 0.745 406 L CB -0.633 41.529 42.059 0.172 0.000 0.898 406 L HN 0.195 nan 8.230 nan 0.000 0.433 407 S N 0.136 115.762 115.700 -0.123 0.000 2.365 407 S HA -0.313 4.157 4.470 -0.000 0.000 0.225 407 S C 1.963 176.456 174.600 -0.177 0.000 1.039 407 S CA 2.129 60.229 58.200 -0.167 0.000 1.033 407 S CB -0.190 62.807 63.200 -0.338 0.000 0.887 407 S HN 0.539 nan 8.310 nan 0.000 0.447 408 E N 0.158 120.281 120.200 -0.128 0.000 2.152 408 E HA -0.020 4.330 4.350 -0.000 0.000 0.192 408 E C 2.051 178.585 176.600 -0.111 0.000 0.983 408 E CA 1.386 57.716 56.400 -0.117 0.000 0.818 408 E CB -0.503 29.153 29.700 -0.075 0.000 0.758 408 E HN 0.490 nan 8.360 nan 0.000 0.467 409 S N -0.052 115.617 115.700 -0.052 0.000 2.383 409 S HA -0.011 4.458 4.470 -0.000 0.000 0.227 409 S C 1.798 176.339 174.600 -0.099 0.000 1.026 409 S CA 0.859 59.051 58.200 -0.013 0.000 0.981 409 S CB -0.170 63.072 63.200 0.070 0.000 0.818 409 S HN 0.328 nan 8.310 nan 0.000 0.472 410 I N 1.054 121.477 120.570 -0.246 0.000 2.394 410 I HA -0.140 4.029 4.170 -0.000 0.000 0.251 410 I C 2.620 178.599 176.117 -0.230 0.000 1.136 410 I CA 1.109 62.166 61.300 -0.406 0.000 1.425 410 I CB -0.208 37.327 38.000 -0.776 0.000 1.079 410 I HN 0.394 nan 8.210 nan 0.000 0.425 411 E N 0.596 120.671 120.200 -0.207 0.000 2.072 411 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 411 E C 2.226 178.720 176.600 -0.176 0.000 0.985 411 E CA 1.282 57.580 56.400 -0.169 0.000 0.801 411 E CB 0.167 29.767 29.700 -0.166 0.000 0.750 411 E HN 0.307 nan 8.360 nan 0.000 0.452 412 S N 0.014 115.602 115.700 -0.188 0.000 2.399 412 S HA -0.122 4.347 4.470 -0.000 0.000 0.231 412 S C 1.954 176.417 174.600 -0.228 0.000 1.022 412 S CA 0.833 58.876 58.200 -0.262 0.000 0.983 412 S CB -0.034 63.068 63.200 -0.163 0.000 0.803 412 S HN 0.133 nan 8.310 nan 0.000 0.480 413 V N 2.899 122.768 119.914 -0.076 0.000 2.307 413 V HA -0.209 3.910 4.120 -0.000 0.000 0.245 413 V C 1.916 178.024 176.094 0.024 0.000 1.045 413 V CA 1.686 64.002 62.300 0.027 0.000 1.024 413 V CB -0.816 31.148 31.823 0.235 0.000 0.651 413 V HN 0.557 nan 8.190 nan 0.000 0.449 414 N N -0.202 118.502 118.700 0.006 0.000 2.149 414 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 414 N C 1.910 177.385 175.510 -0.058 0.000 1.019 414 N CA 1.629 54.684 53.050 0.008 0.000 0.857 414 N CB -0.205 38.276 38.487 -0.009 0.000 0.997 414 N HN 0.473 nan 8.380 nan 0.000 0.426 415 M N 0.526 120.018 119.600 -0.180 0.000 2.099 415 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 415 M C 1.368 177.501 176.300 -0.279 0.000 1.067 415 M CA 1.661 56.792 55.300 -0.281 0.000 1.124 415 M CB -0.169 32.149 32.600 -0.470 0.000 1.353 415 M HN 0.059 nan 8.290 nan 0.000 0.410 416 F N 0.837 120.639 119.950 -0.245 0.000 2.234 416 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 416 F C 2.272 178.072 175.800 -0.001 0.000 1.087 416 F CA 1.197 59.052 58.000 -0.241 0.000 1.340 416 F CB -0.166 38.381 39.000 -0.755 0.000 1.031 416 F HN 0.269 nan 8.300 nan 0.000 0.500 417 E N 0.283 120.607 120.200 0.207 0.000 2.106 417 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 417 E C 1.845 178.559 176.600 0.190 0.000 0.984 417 E CA 1.004 57.564 56.400 0.267 0.000 0.806 417 E CB -0.082 29.743 29.700 0.207 0.000 0.750 417 E HN 0.386 nan 8.360 nan 0.000 0.458 418 K N -0.063 120.389 120.400 0.088 0.000 2.366 418 K HA 0.020 4.340 4.320 -0.000 0.000 0.198 418 K C 1.879 178.501 176.600 0.037 0.000 1.044 418 K CA 0.469 56.777 56.287 0.035 0.000 0.973 418 K CB 0.122 32.616 32.500 -0.010 0.000 0.767 418 K HN 0.098 nan 8.250 nan 0.000 0.475 419 M N -0.498 119.148 119.600 0.078 0.000 2.325 419 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 419 M C 1.827 178.231 176.300 0.172 0.000 1.094 419 M CA 1.082 56.435 55.300 0.090 0.000 1.161 419 M CB 0.094 32.747 32.600 0.088 0.000 1.358 419 M HN 0.107 nan 8.290 nan 0.000 0.446 420 Y N 0.627 120.980 120.300 0.088 0.000 2.421 420 Y HA 0.050 4.599 4.550 -0.000 0.000 0.292 420 Y C 1.688 177.614 175.900 0.043 0.000 1.136 420 Y CA 1.335 59.483 58.100 0.081 0.000 1.255 420 Y CB -0.844 37.683 38.460 0.113 0.000 0.991 420 Y HN 0.207 nan 8.280 nan 0.000 0.552 421 G N 0.199 108.982 108.800 -0.029 0.000 2.473 421 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 421 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 421 G C 1.523 176.372 174.900 -0.086 0.000 1.211 421 G CA 0.270 45.285 45.100 -0.141 0.000 0.813 421 G HN 0.327 nan 8.290 nan 0.000 0.541 422 K N 0.194 120.574 120.400 -0.033 0.000 2.520 422 K HA -0.101 4.219 4.320 -0.000 0.000 0.197 422 K C 2.281 178.870 176.600 -0.018 0.000 1.044 422 K CA 0.565 56.838 56.287 -0.024 0.000 0.938 422 K CB -0.014 32.479 32.500 -0.011 0.000 0.767 422 K HN 0.054 nan 8.250 nan 0.000 0.481 423 R N 0.868 121.360 120.500 -0.013 0.000 2.328 423 R HA 0.045 4.384 4.340 -0.000 0.000 0.207 423 R C 0.131 176.415 176.300 -0.025 0.000 1.056 423 R CA 0.727 56.828 56.100 0.003 0.000 1.016 423 R CB 0.036 30.363 30.300 0.045 0.000 0.872 423 R HN 0.066 nan 8.270 nan 0.000 0.471 424 L N 0.000 121.192 121.223 -0.052 0.000 2.949 424 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 424 L CA 0.000 54.807 54.840 -0.056 0.000 0.813 424 L CB 0.000 42.006 42.059 -0.089 0.000 0.961 424 L HN 0.000 nan 8.230 nan 0.000 0.502