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 1gl7_1_G DATA FIRST_RESID 78 DATA SEQUENCE EFGGAPFKRF LRGTRIVSGG KLKRMTREKA KQVTVAGVPM PRDAEPRHLL DATA SEQUENCE VNGATGTGKS VLLRELAYTG LLRGDRMVIV DPNGDMLSKF GRDKDIILNP DATA SEQUENCE YDQRTKGWSF FNEIRNDYDW QRYALSVVPR GKTDEAEEWA SYGRLLLRET DATA SEQUENCE AKKLALIGTP SMRELFHWTT IATFDDLRGF LEGTLAESLF AGSNEASKAL DATA SEQUENCE TSARFVLSDK LPEHVTMPDG DFSIRSWLED PNGGNLFITW REDMGPALRP DATA SEQUENCE LISAWVDVVC TSILSLPEEP KRRLWLFIDE LASLEKLASL ADALTKGRKA DATA SEQUENCE GLRVVAGLQS TSQLDDVYGV KEAQTLRASF RSLVVLGGSR TDPKTNEDMS DATA SEQUENCE LSLGEHEVER DXXXXXXXXX XXXXXXXERV RERVVMPAEI ANLPDLTAYV DATA SEQUENCE GFAGNRPIAK VPLEIKQFAN RQPAFVEG 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 78 E HA 0.000 nan 4.350 nan 0.000 0.291 78 E C 0.000 176.766 176.600 0.276 0.000 1.382 78 E CA 0.000 56.514 56.400 0.190 0.000 0.976 78 E CB 0.000 29.775 29.700 0.125 0.000 0.812 79 F N 3.725 123.785 119.950 0.183 0.000 2.404 79 F HA 0.614 5.141 4.527 -0.000 0.000 0.345 79 F C 1.132 177.024 175.800 0.153 0.000 1.110 79 F CA 0.201 58.317 58.000 0.194 0.000 1.130 79 F CB 1.285 40.451 39.000 0.276 0.000 1.129 79 F HN 0.553 nan 8.300 nan 0.000 0.500 80 G N 4.359 112.920 108.800 -0.397 0.000 2.469 80 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.219 80 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.219 80 G C 0.938 175.354 174.900 -0.807 0.000 1.150 80 G CA 0.587 45.397 45.100 -0.484 0.000 0.763 80 G HN 1.017 nan 8.290 nan 0.000 0.561 81 G N -0.045 107.666 108.800 -1.816 0.000 2.486 81 G HA2 0.476 4.435 3.960 -0.000 0.000 0.272 81 G HA3 0.476 4.435 3.960 -0.000 0.000 0.272 81 G C 0.336 174.965 174.900 -0.451 0.000 1.426 81 G CA 0.162 44.666 45.100 -0.993 0.000 1.058 81 G HN 0.701 nan 8.290 nan 0.000 0.531 82 A N 0.219 123.053 122.820 0.024 0.000 2.440 82 A HA 0.568 4.888 4.320 -0.000 0.000 0.251 82 A C -1.862 175.962 177.584 0.401 0.000 1.089 82 A CA -0.783 51.356 52.037 0.169 0.000 0.779 82 A CB -0.123 18.974 19.000 0.161 0.000 1.022 82 A HN 0.434 nan 8.150 nan 0.000 0.492 83 P HA 0.367 nan 4.420 nan 0.000 0.270 83 P C -0.632 176.965 177.300 0.496 0.000 1.227 83 P CA 0.268 63.626 63.100 0.430 0.000 0.788 83 P CB 0.221 32.037 31.700 0.192 0.000 0.926 84 F N -1.599 118.434 119.950 0.138 0.000 2.650 84 F HA 0.662 5.189 4.527 -0.000 0.000 0.320 84 F C 0.988 176.819 175.800 0.053 0.000 1.091 84 F CA -1.520 56.528 58.000 0.080 0.000 0.962 84 F CB 0.877 39.904 39.000 0.044 0.000 1.363 84 F HN 0.075 nan 8.300 nan 0.000 0.482 85 K N 0.415 120.874 120.400 0.098 0.000 2.098 85 K HA 0.266 4.586 4.320 -0.000 0.000 0.203 85 K C 0.090 176.680 176.600 -0.016 0.000 1.051 85 K CA 0.882 57.168 56.287 -0.003 0.000 0.957 85 K CB 0.271 32.799 32.500 0.046 0.000 0.738 85 K HN 0.698 nan 8.250 nan 0.000 0.447 86 R N -0.349 120.248 120.500 0.161 0.000 2.566 86 R HA 0.177 4.517 4.340 -0.000 0.000 0.271 86 R C -1.819 174.709 176.300 0.379 0.000 1.071 86 R CA -0.713 55.502 56.100 0.191 0.000 0.915 86 R CB 0.706 31.068 30.300 0.103 0.000 1.228 86 R HN 0.065 nan 8.270 nan 0.000 0.449 87 F N 5.714 125.806 119.950 0.236 0.000 2.424 87 F HA 0.289 4.816 4.527 -0.000 0.000 0.356 87 F C 0.045 175.859 175.800 0.023 0.000 1.110 87 F CA -0.297 57.795 58.000 0.154 0.000 1.161 87 F CB 0.760 39.868 39.000 0.180 0.000 1.115 87 F HN 0.526 nan 8.300 nan 0.000 0.507 88 L N 4.461 125.373 121.223 -0.518 0.000 2.208 88 L HA 0.300 4.640 4.340 -0.000 0.000 0.196 88 L C 0.112 176.732 176.870 -0.416 0.000 1.130 88 L CA 0.137 54.783 54.840 -0.323 0.000 0.791 88 L CB -0.165 41.727 42.059 -0.278 0.000 0.969 88 L HN 0.556 nan 8.230 nan 0.000 0.468 89 R N -1.431 118.615 120.500 -0.757 0.000 2.752 89 R HA 0.740 5.079 4.340 -0.000 0.000 0.271 89 R C -0.567 175.494 176.300 -0.399 0.000 1.026 89 R CA -0.292 55.586 56.100 -0.370 0.000 0.901 89 R CB 0.874 31.102 30.300 -0.119 0.000 1.243 89 R HN 0.243 nan 8.270 nan 0.000 0.463 90 G N -0.180 108.649 108.800 0.049 0.000 2.447 90 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.220 90 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.220 90 G C -0.983 174.109 174.900 0.320 0.000 1.261 90 G CA -0.534 44.638 45.100 0.120 0.000 1.000 90 G HN 0.681 nan 8.290 nan 0.000 0.515 91 T N 1.840 116.521 114.554 0.213 0.000 2.919 91 T HA 0.525 4.875 4.350 -0.000 0.000 0.302 91 T C 0.665 175.543 174.700 0.297 0.000 1.031 91 T CA 0.566 62.780 62.100 0.191 0.000 1.127 91 T CB 0.276 69.197 68.868 0.087 0.000 0.952 91 T HN 0.755 nan 8.240 nan 0.000 0.540 92 R N 2.669 123.276 120.500 0.179 0.000 2.561 92 R HA 0.691 5.031 4.340 -0.000 0.000 0.297 92 R C -1.046 175.311 176.300 0.095 0.000 0.969 92 R CA -0.873 55.296 56.100 0.114 0.000 0.879 92 R CB 1.521 31.695 30.300 -0.210 0.000 1.178 92 R HN 0.569 nan 8.270 nan 0.000 0.445 93 I N 2.968 123.621 120.570 0.138 0.000 2.437 93 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 93 I C -0.972 175.235 176.117 0.149 0.000 0.984 93 I CA -1.095 60.303 61.300 0.163 0.000 1.214 93 I CB 1.894 40.036 38.000 0.237 0.000 1.365 93 I HN 0.533 nan 8.210 nan 0.000 0.469 94 V N 5.371 125.363 119.914 0.130 0.000 3.167 94 V HA 0.498 4.618 4.120 -0.000 0.000 0.310 94 V C -0.261 175.894 176.094 0.102 0.000 1.207 94 V CA -0.359 62.005 62.300 0.105 0.000 1.059 94 V CB 2.746 34.610 31.823 0.068 0.000 1.079 94 V HN 0.908 nan 8.190 nan 0.000 0.446 95 S N 1.462 117.211 115.700 0.081 0.000 2.584 95 S HA 0.304 4.774 4.470 -0.000 0.000 0.270 95 S C 1.328 175.962 174.600 0.056 0.000 1.346 95 S CA 0.260 58.498 58.200 0.065 0.000 1.018 95 S CB 1.067 64.298 63.200 0.052 0.000 0.899 95 S HN 1.507 nan 8.310 nan 0.000 0.542 96 G N 1.784 110.609 108.800 0.040 0.000 2.553 96 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 96 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 96 G C 1.373 176.303 174.900 0.050 0.000 1.195 96 G CA 0.820 45.944 45.100 0.039 0.000 0.779 96 G HN 1.051 nan 8.290 nan 0.000 0.577 97 G N 0.964 109.789 108.800 0.040 0.000 2.511 97 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.216 97 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.216 97 G C 1.750 176.675 174.900 0.042 0.000 1.218 97 G CA 1.731 46.854 45.100 0.039 0.000 0.788 97 G HN 0.568 nan 8.290 nan 0.000 0.560 98 K N 0.108 120.532 120.400 0.040 0.000 2.071 98 K HA -0.197 4.123 4.320 -0.000 0.000 0.217 98 K C 2.336 178.964 176.600 0.045 0.000 1.054 98 K CA 1.820 58.129 56.287 0.037 0.000 0.937 98 K CB -0.825 31.698 32.500 0.037 0.000 0.719 98 K HN 0.289 nan 8.250 nan 0.000 0.454 99 L N 1.056 122.317 121.223 0.063 0.000 1.994 99 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 99 L C 1.873 178.793 176.870 0.084 0.000 1.071 99 L CA 1.941 56.832 54.840 0.085 0.000 0.745 99 L CB -0.530 41.598 42.059 0.115 0.000 0.892 99 L HN 0.193 nan 8.230 nan 0.000 0.431 100 K N -0.904 119.547 120.400 0.084 0.000 2.228 100 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 100 K C 2.212 178.840 176.600 0.048 0.000 1.045 100 K CA 1.704 58.036 56.287 0.076 0.000 0.931 100 K CB -0.213 32.328 32.500 0.067 0.000 0.727 100 K HN 0.359 nan 8.250 nan 0.000 0.458 101 R N 0.274 120.797 120.500 0.039 0.000 2.052 101 R HA 0.066 4.406 4.340 -0.000 0.000 0.226 101 R C 2.461 178.771 176.300 0.017 0.000 1.145 101 R CA 1.283 57.397 56.100 0.024 0.000 0.952 101 R CB -0.169 30.143 30.300 0.021 0.000 0.847 101 R HN 0.136 nan 8.270 nan 0.000 0.431 102 M N 0.321 119.934 119.600 0.022 0.000 2.088 102 M HA -0.208 4.272 4.480 -0.000 0.000 0.256 102 M C 2.392 178.691 176.300 -0.002 0.000 1.071 102 M CA 2.480 57.788 55.300 0.014 0.000 1.097 102 M CB -0.894 31.721 32.600 0.026 0.000 1.315 102 M HN 0.307 nan 8.290 nan 0.000 0.406 103 T N -1.829 112.724 114.554 -0.000 0.000 3.035 103 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 103 T C 0.970 175.631 174.700 -0.066 0.000 1.109 103 T CA 0.092 62.158 62.100 -0.057 0.000 1.119 103 T CB -0.351 68.465 68.868 -0.087 0.000 0.900 103 T HN 0.332 nan 8.240 nan 0.000 0.503 104 R N 1.628 122.113 120.500 -0.026 0.000 2.458 104 R HA 0.136 4.476 4.340 -0.000 0.000 0.303 104 R C -0.275 176.008 176.300 -0.027 0.000 1.013 104 R CA 0.304 56.392 56.100 -0.020 0.000 1.026 104 R CB 0.252 30.551 30.300 -0.002 0.000 0.948 104 R HN 0.503 nan 8.270 nan 0.000 0.417 105 E N 2.508 122.690 120.200 -0.030 0.000 2.281 105 E HA 0.159 4.509 4.350 -0.000 0.000 0.257 105 E C 0.322 176.912 176.600 -0.017 0.000 0.971 105 E CA -0.988 55.395 56.400 -0.028 0.000 0.839 105 E CB 1.324 31.001 29.700 -0.038 0.000 1.238 105 E HN 0.500 nan 8.360 nan 0.000 0.412 106 K N 0.168 120.559 120.400 -0.015 0.000 1.973 106 K HA -0.025 4.295 4.320 -0.000 0.000 0.212 106 K C 1.114 177.710 176.600 -0.007 0.000 1.047 106 K CA 0.881 57.162 56.287 -0.010 0.000 0.937 106 K CB -0.963 31.531 32.500 -0.010 0.000 0.721 106 K HN 0.471 nan 8.250 nan 0.000 0.440 107 A N 2.216 125.031 122.820 -0.008 0.000 2.307 107 A HA 0.064 4.384 4.320 -0.000 0.000 0.271 107 A C -0.259 177.325 177.584 -0.000 0.000 1.188 107 A CA -0.118 51.917 52.037 -0.004 0.000 0.810 107 A CB -0.120 18.878 19.000 -0.004 0.000 1.123 107 A HN 0.280 nan 8.150 nan 0.000 0.509 108 K N 0.856 121.259 120.400 0.005 0.000 2.349 108 K HA 0.260 4.579 4.320 -0.000 0.000 0.289 108 K C -0.247 176.364 176.600 0.019 0.000 1.064 108 K CA 0.281 56.574 56.287 0.009 0.000 0.947 108 K CB 0.480 32.986 32.500 0.010 0.000 1.007 108 K HN 0.642 nan 8.250 nan 0.000 0.478 109 Q N 0.877 120.688 119.800 0.018 0.000 2.333 109 Q HA 0.524 4.864 4.340 -0.000 0.000 0.266 109 Q C -0.106 175.919 176.000 0.043 0.000 1.053 109 Q CA -1.209 54.612 55.803 0.030 0.000 0.890 109 Q CB 1.765 30.504 28.738 0.002 0.000 1.337 109 Q HN 0.482 nan 8.270 nan 0.000 0.474 110 V N -2.447 117.511 119.914 0.073 0.000 3.193 110 V HA 0.813 4.933 4.120 -0.000 0.000 0.320 110 V C -0.226 175.922 176.094 0.090 0.000 1.112 110 V CA -0.732 61.606 62.300 0.063 0.000 1.026 110 V CB 1.544 33.401 31.823 0.057 0.000 1.128 110 V HN 0.948 nan 8.190 nan 0.000 0.452 111 T N -1.247 113.365 114.554 0.097 0.000 2.863 111 T HA 0.750 5.100 4.350 -0.000 0.000 0.285 111 T C -0.816 173.991 174.700 0.178 0.000 1.009 111 T CA -0.645 61.544 62.100 0.147 0.000 0.989 111 T CB 1.464 70.409 68.868 0.128 0.000 1.004 111 T HN 0.829 nan 8.240 nan 0.000 0.455 112 V N 2.602 122.664 119.914 0.247 0.000 2.313 112 V HA 0.653 4.772 4.120 -0.000 0.000 0.278 112 V C 0.906 177.086 176.094 0.143 0.000 1.017 112 V CA -0.260 62.165 62.300 0.209 0.000 0.823 112 V CB 0.033 32.015 31.823 0.266 0.000 1.010 112 V HN 1.602 nan 8.190 nan 0.000 0.443 113 A N 4.188 127.070 122.820 0.105 0.000 2.640 113 A HA 0.005 4.325 4.320 -0.000 0.000 0.300 113 A C 1.817 179.455 177.584 0.089 0.000 1.499 113 A CA 1.361 53.445 52.037 0.078 0.000 0.759 113 A CB -1.505 17.520 19.000 0.042 0.000 1.048 113 A HN 2.553 nan 8.150 nan 0.000 0.450 114 G N -3.517 105.349 108.800 0.110 0.000 2.212 114 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.266 114 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.266 114 G C 0.415 175.387 174.900 0.121 0.000 0.978 114 G CA 0.576 45.739 45.100 0.104 0.000 0.632 114 G HN 1.910 nan 8.290 nan 0.000 0.537 115 V N 3.180 123.193 119.914 0.166 0.000 2.432 115 V HA 0.460 4.580 4.120 -0.000 0.000 0.275 115 V C -1.456 174.782 176.094 0.241 0.000 1.043 115 V CA -1.576 60.857 62.300 0.221 0.000 0.925 115 V CB 1.527 33.547 31.823 0.327 0.000 0.985 115 V HN 0.219 nan 8.190 nan 0.000 0.466 116 P HA 0.053 nan 4.420 nan 0.000 0.265 116 P C -0.358 176.883 177.300 -0.099 0.000 1.222 116 P CA -0.062 63.064 63.100 0.042 0.000 0.767 116 P CB 0.565 32.270 31.700 0.008 0.000 0.801 117 M N 6.749 126.297 119.600 -0.087 0.000 2.184 117 M HA 0.265 4.745 4.480 -0.000 0.000 0.351 117 M C -2.307 173.780 176.300 -0.355 0.000 1.395 117 M CA -2.128 52.935 55.300 -0.395 0.000 1.117 117 M CB 0.516 33.150 32.600 0.057 0.000 1.708 117 M HN 0.076 nan 8.290 nan 0.000 0.468 118 P HA -0.011 nan 4.420 nan 0.000 0.260 118 P C -0.193 177.008 177.300 -0.165 0.000 1.185 118 P CA 0.275 63.200 63.100 -0.292 0.000 0.763 118 P CB 0.324 31.838 31.700 -0.311 0.000 0.776 119 R N 3.204 123.647 120.500 -0.096 0.000 2.154 119 R HA -0.220 4.119 4.340 -0.000 0.000 0.248 119 R C 1.124 177.383 176.300 -0.068 0.000 1.155 119 R CA 2.329 58.397 56.100 -0.052 0.000 0.979 119 R CB -0.807 29.471 30.300 -0.035 0.000 0.869 119 R HN 0.658 nan 8.270 nan 0.000 0.452 120 D N -0.129 120.223 120.400 -0.079 0.000 2.348 120 D HA -0.039 4.601 4.640 -0.000 0.000 0.216 120 D C 1.391 177.638 176.300 -0.089 0.000 0.970 120 D CA 0.809 54.761 54.000 -0.081 0.000 0.889 120 D CB 0.130 40.890 40.800 -0.067 0.000 0.912 120 D HN 0.190 nan 8.370 nan 0.000 0.524 121 A N 0.368 123.139 122.820 -0.080 0.000 2.195 121 A HA 0.023 4.343 4.320 -0.000 0.000 0.210 121 A C 1.866 179.418 177.584 -0.053 0.000 1.165 121 A CA 0.066 52.078 52.037 -0.042 0.000 0.806 121 A CB -0.229 18.777 19.000 0.011 0.000 0.847 121 A HN 0.154 nan 8.150 nan 0.000 0.482 122 E N 0.580 120.729 120.200 -0.086 0.000 2.077 122 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 122 E C -0.778 175.603 176.600 -0.365 0.000 0.989 122 E CA 1.303 57.608 56.400 -0.158 0.000 0.800 122 E CB -0.654 28.960 29.700 -0.143 0.000 0.746 122 E HN 0.538 nan 8.360 nan 0.000 0.452 123 P HA 0.007 nan 4.420 nan 0.000 0.249 123 P C 0.417 177.222 177.300 -0.826 0.000 1.229 123 P CA 0.609 63.418 63.100 -0.485 0.000 0.788 123 P CB 0.369 31.881 31.700 -0.313 0.000 1.072 124 R N -0.620 119.496 120.500 -0.639 0.000 2.317 124 R HA 0.118 4.458 4.340 -0.000 0.000 0.208 124 R C 0.309 176.238 176.300 -0.619 0.000 0.914 124 R CA -0.357 55.386 56.100 -0.595 0.000 1.060 124 R CB -1.202 28.968 30.300 -0.217 0.000 1.015 124 R HN 0.370 nan 8.270 nan 0.000 0.498 125 H N -0.785 118.181 119.070 -0.173 0.000 4.462 125 H HA -0.229 4.327 4.556 -0.000 0.000 0.253 125 H C -0.433 174.952 175.328 0.094 0.000 0.554 125 H CA 0.541 56.479 56.048 -0.184 0.000 0.688 125 H CB -0.761 28.622 29.762 -0.632 0.000 1.017 125 H HN 0.157 nan 8.280 nan 0.000 0.299 126 L N 1.514 122.977 121.223 0.400 0.000 2.410 126 L HA 0.552 4.892 4.340 -0.000 0.000 0.270 126 L C -1.395 175.772 176.870 0.495 0.000 0.983 126 L CA -0.915 54.173 54.840 0.413 0.000 0.822 126 L CB 1.572 43.822 42.059 0.319 0.000 1.285 126 L HN 0.484 nan 8.230 nan 0.000 0.409 127 L N 5.910 127.302 121.223 0.282 0.000 2.287 127 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 127 L C -1.063 175.809 176.870 0.002 0.000 1.022 127 L CA -0.228 54.599 54.840 -0.021 0.000 0.814 127 L CB 1.749 43.636 42.059 -0.287 0.000 1.217 127 L HN 0.451 nan 8.230 nan 0.000 0.420 128 V N 5.254 125.172 119.914 0.007 0.000 2.334 128 V HA 0.451 4.571 4.120 -0.000 0.000 0.281 128 V C -0.228 175.865 176.094 -0.003 0.000 1.016 128 V CA -0.657 61.658 62.300 0.025 0.000 0.832 128 V CB 1.226 33.090 31.823 0.070 0.000 0.999 128 V HN 0.829 nan 8.190 nan 0.000 0.439 129 N N 3.240 121.935 118.700 -0.009 0.000 2.361 129 N HA 0.848 5.588 4.740 -0.000 0.000 0.302 129 N C -0.273 175.243 175.510 0.011 0.000 1.074 129 N CA 0.244 53.287 53.050 -0.012 0.000 0.850 129 N CB 2.089 40.558 38.487 -0.030 0.000 1.228 129 N HN 0.908 nan 8.380 nan 0.000 0.491 130 G N 0.109 108.917 108.800 0.013 0.000 2.355 130 G HA2 0.543 4.503 3.960 -0.000 0.000 0.296 130 G HA3 0.543 4.503 3.960 -0.000 0.000 0.296 130 G C -1.335 173.577 174.900 0.020 0.000 1.507 130 G CA -0.257 44.856 45.100 0.023 0.000 0.823 130 G HN 0.723 nan 8.290 nan 0.000 0.569 131 A N -0.051 122.782 122.820 0.022 0.000 2.310 131 A HA 0.745 5.065 4.320 -0.000 0.000 0.260 131 A C 1.052 178.648 177.584 0.020 0.000 1.112 131 A CA 0.776 52.824 52.037 0.019 0.000 0.804 131 A CB 0.297 19.308 19.000 0.018 0.000 1.081 131 A HN 1.743 nan 8.150 nan 0.000 0.499 132 T N -0.777 113.787 114.554 0.018 0.000 2.870 132 T HA 0.444 4.794 4.350 -0.000 0.000 0.300 132 T C 1.274 175.983 174.700 0.015 0.000 0.989 132 T CA 1.391 63.501 62.100 0.017 0.000 1.139 132 T CB -0.166 68.711 68.868 0.015 0.000 0.920 132 T HN 2.298 nan 8.240 nan 0.000 0.537 133 G N 3.281 112.090 108.800 0.014 0.000 2.179 133 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 133 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 133 G C 0.979 175.888 174.900 0.014 0.000 0.977 133 G CA 1.091 46.199 45.100 0.012 0.000 0.641 133 G HN 1.203 nan 8.290 nan 0.000 0.533 134 T N -2.391 112.173 114.554 0.018 0.000 3.055 134 T HA 0.413 4.763 4.350 -0.000 0.000 0.265 134 T C 2.123 176.836 174.700 0.021 0.000 1.111 134 T CA 1.708 63.819 62.100 0.020 0.000 1.118 134 T CB 0.299 69.181 68.868 0.024 0.000 0.909 134 T HN 2.173 nan 8.240 nan 0.000 0.501 135 G N 0.972 109.785 108.800 0.022 0.000 2.155 135 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.130 135 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.130 135 G C 0.776 175.694 174.900 0.029 0.000 1.027 135 G CA 0.077 45.192 45.100 0.025 0.000 0.705 135 G HN 0.344 nan 8.290 nan 0.000 0.496 136 K N 0.774 121.192 120.400 0.030 0.000 2.063 136 K HA -0.083 4.236 4.320 -0.000 0.000 0.208 136 K C 2.530 179.149 176.600 0.032 0.000 1.048 136 K CA 1.763 58.072 56.287 0.037 0.000 0.928 136 K CB -0.283 32.240 32.500 0.039 0.000 0.713 136 K HN 0.404 nan 8.250 nan 0.000 0.442 137 S N 1.154 116.865 115.700 0.018 0.000 2.343 137 S HA -0.113 4.357 4.470 -0.000 0.000 0.219 137 S C 2.294 176.890 174.600 -0.007 0.000 1.033 137 S CA 1.406 59.605 58.200 -0.001 0.000 1.014 137 S CB -0.526 62.669 63.200 -0.008 0.000 0.915 137 S HN 0.024 nan 8.310 nan 0.000 0.435 138 V N 2.650 122.572 119.914 0.014 0.000 2.277 138 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 138 V C 2.216 178.333 176.094 0.038 0.000 1.067 138 V CA 2.042 64.364 62.300 0.037 0.000 1.047 138 V CB -0.872 30.983 31.823 0.053 0.000 0.649 138 V HN 0.402 nan 8.190 nan 0.000 0.447 139 L N -0.845 120.401 121.223 0.038 0.000 1.961 139 L HA -0.193 4.146 4.340 -0.000 0.000 0.210 139 L C 2.391 179.278 176.870 0.028 0.000 1.072 139 L CA 1.794 56.664 54.840 0.050 0.000 0.749 139 L CB -0.282 41.813 42.059 0.059 0.000 0.889 139 L HN 0.216 nan 8.230 nan 0.000 0.432 140 L N 0.096 121.329 121.223 0.016 0.000 2.189 140 L HA -0.231 4.109 4.340 -0.000 0.000 0.214 140 L C 2.666 179.390 176.870 -0.243 0.000 1.097 140 L CA 1.693 56.510 54.840 -0.038 0.000 0.764 140 L CB -0.993 41.067 42.059 0.001 0.000 0.900 140 L HN 0.298 nan 8.230 nan 0.000 0.436 141 R N -0.210 120.180 120.500 -0.183 0.000 2.073 141 R HA -0.173 4.167 4.340 -0.000 0.000 0.229 141 R C 2.337 178.512 176.300 -0.207 0.000 1.120 141 R CA 1.412 57.354 56.100 -0.264 0.000 0.967 141 R CB -0.111 30.062 30.300 -0.212 0.000 0.862 141 R HN 0.550 nan 8.270 nan 0.000 0.436 142 E N 0.423 120.613 120.200 -0.017 0.000 2.047 142 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 142 E C 2.024 178.665 176.600 0.070 0.000 0.987 142 E CA 1.116 57.610 56.400 0.157 0.000 0.799 142 E CB -0.219 29.588 29.700 0.178 0.000 0.752 142 E HN 0.404 nan 8.360 nan 0.000 0.449 143 L N 0.579 121.784 121.223 -0.029 0.000 1.989 143 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 143 L C 2.700 179.404 176.870 -0.277 0.000 1.071 143 L CA 1.565 56.354 54.840 -0.085 0.000 0.749 143 L CB -0.523 41.548 42.059 0.020 0.000 0.890 143 L HN 0.346 nan 8.230 nan 0.000 0.431 144 A N -0.929 121.598 122.820 -0.488 0.000 1.865 144 A HA -0.335 3.985 4.320 -0.000 0.000 0.217 144 A C 2.111 179.380 177.584 -0.524 0.000 1.191 144 A CA 1.999 53.597 52.037 -0.730 0.000 0.623 144 A CB -1.161 17.172 19.000 -1.113 0.000 0.826 144 A HN 0.567 nan 8.150 nan 0.000 0.444 145 Y N 1.913 121.874 120.300 -0.565 0.000 2.030 145 Y HA -0.308 4.242 4.550 -0.000 0.000 0.274 145 Y C 3.001 178.873 175.900 -0.046 0.000 1.153 145 Y CA 2.886 60.882 58.100 -0.173 0.000 1.115 145 Y CB -1.159 37.469 38.460 0.281 0.000 0.969 145 Y HN 0.481 nan 8.280 nan 0.000 0.488 146 T N -2.449 112.023 114.554 -0.137 0.000 2.737 146 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 146 T C 2.208 176.791 174.700 -0.195 0.000 1.040 146 T CA 1.542 63.520 62.100 -0.202 0.000 1.142 146 T CB -1.473 67.364 68.868 -0.052 0.000 0.861 146 T HN 0.444 nan 8.240 nan 0.000 0.456 147 G N 0.966 109.623 108.800 -0.238 0.000 2.422 147 G HA2 0.061 4.021 3.960 -0.000 0.000 0.218 147 G HA3 0.061 4.021 3.960 -0.000 0.000 0.218 147 G C 1.545 176.363 174.900 -0.136 0.000 1.140 147 G CA 0.477 45.437 45.100 -0.233 0.000 0.775 147 G HN 0.519 nan 8.290 nan 0.000 0.545 148 L N -0.036 121.089 121.223 -0.164 0.000 2.072 148 L HA 0.083 4.423 4.340 -0.000 0.000 0.205 148 L C 2.769 179.605 176.870 -0.057 0.000 1.079 148 L CA 0.474 55.271 54.840 -0.070 0.000 0.752 148 L CB -0.316 41.727 42.059 -0.027 0.000 0.906 148 L HN 0.173 nan 8.230 nan 0.000 0.436 149 L N -0.457 120.676 121.223 -0.151 0.000 2.265 149 L HA -0.198 4.141 4.340 -0.000 0.000 0.215 149 L C 2.472 179.303 176.870 -0.066 0.000 1.117 149 L CA 0.970 55.726 54.840 -0.139 0.000 0.782 149 L CB -0.481 41.414 42.059 -0.272 0.000 0.914 149 L HN 0.272 nan 8.230 nan 0.000 0.441 150 R N 0.340 120.812 120.500 -0.047 0.000 2.317 150 R HA 0.071 4.411 4.340 -0.000 0.000 0.208 150 R C 0.984 177.299 176.300 0.025 0.000 0.914 150 R CA 0.589 56.688 56.100 -0.001 0.000 1.060 150 R CB 0.272 30.585 30.300 0.023 0.000 1.015 150 R HN 0.322 nan 8.270 nan 0.000 0.498 151 G N 1.710 110.525 108.800 0.025 0.000 2.182 151 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 151 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 151 G C -0.872 174.070 174.900 0.070 0.000 1.042 151 G CA 0.234 45.360 45.100 0.044 0.000 0.775 151 G HN 0.384 nan 8.290 nan 0.000 0.501 152 D N -0.088 120.372 120.400 0.100 0.000 2.225 152 D HA 0.440 5.079 4.640 -0.000 0.000 0.249 152 D C 1.073 177.480 176.300 0.178 0.000 1.052 152 D CA -0.210 53.899 54.000 0.182 0.000 0.909 152 D CB 0.965 41.977 40.800 0.353 0.000 1.186 152 D HN 0.366 nan 8.370 nan 0.000 0.431 153 R N 0.953 121.559 120.500 0.177 0.000 2.543 153 R HA 0.711 5.051 4.340 -0.000 0.000 0.268 153 R C 0.331 176.790 176.300 0.265 0.000 1.067 153 R CA -0.489 55.701 56.100 0.149 0.000 1.142 153 R CB 1.073 31.380 30.300 0.010 0.000 1.110 153 R HN 0.520 nan 8.270 nan 0.000 0.549 154 M N -1.770 117.995 119.600 0.274 0.000 2.790 154 M HA 0.397 4.877 4.480 -0.000 0.000 0.272 154 M C -1.669 174.820 176.300 0.316 0.000 1.168 154 M CA -1.133 54.373 55.300 0.343 0.000 0.829 154 M CB 1.683 34.530 32.600 0.412 0.000 1.675 154 M HN 0.213 nan 8.290 nan 0.000 0.505 155 V N 2.272 122.361 119.914 0.291 0.000 2.604 155 V HA 0.670 4.790 4.120 -0.000 0.000 0.305 155 V C -0.648 175.529 176.094 0.139 0.000 1.043 155 V CA -0.510 61.884 62.300 0.157 0.000 0.888 155 V CB 2.090 34.022 31.823 0.183 0.000 0.995 155 V HN 0.727 nan 8.190 nan 0.000 0.429 156 I N 4.058 124.613 120.570 -0.024 0.000 2.447 156 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 156 I C -0.361 175.843 176.117 0.146 0.000 1.023 156 I CA -0.894 60.439 61.300 0.055 0.000 1.083 156 I CB 2.254 40.154 38.000 -0.167 0.000 1.245 156 I HN 0.255 nan 8.210 nan 0.000 0.434 157 V N 4.491 124.554 119.914 0.248 0.000 2.302 157 V HA -0.000 4.119 4.120 -0.000 0.000 0.244 157 V C -0.062 176.248 176.094 0.361 0.000 1.160 157 V CA 0.253 62.772 62.300 0.365 0.000 1.127 157 V CB -0.147 31.881 31.823 0.341 0.000 1.253 157 V HN 0.631 nan 8.190 nan 0.000 0.496 158 D N 6.802 127.394 120.400 0.321 0.000 2.443 158 D HA 0.367 5.007 4.640 -0.000 0.000 0.221 158 D C -2.700 173.439 176.300 -0.269 0.000 1.097 158 D CA -2.059 52.002 54.000 0.102 0.000 0.865 158 D CB 1.719 42.633 40.800 0.190 0.000 1.034 158 D HN 0.254 nan 8.370 nan 0.000 0.511 159 P HA 0.213 nan 4.420 nan 0.000 0.280 159 P C -0.415 176.483 177.300 -0.670 0.000 1.244 159 P CA -0.335 62.022 63.100 -1.239 0.000 0.784 159 P CB 0.544 31.774 31.700 -0.784 0.000 0.913 160 N N 2.525 120.796 118.700 -0.715 0.000 2.708 160 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 160 N C 0.845 176.225 175.510 -0.216 0.000 1.097 160 N CA 1.495 54.311 53.050 -0.390 0.000 0.710 160 N CB -1.778 36.531 38.487 -0.298 0.000 1.032 160 N HN 0.906 nan 8.380 nan 0.000 0.551 161 G N 0.279 108.976 108.800 -0.171 0.000 2.380 161 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.298 161 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.298 161 G C 0.801 175.679 174.900 -0.037 0.000 0.989 161 G CA 1.487 46.560 45.100 -0.045 0.000 0.836 161 G HN 0.682 nan 8.290 nan 0.000 0.511 162 D N -0.275 120.088 120.400 -0.061 0.000 2.088 162 D HA -0.161 4.479 4.640 -0.000 0.000 0.191 162 D C 2.565 178.877 176.300 0.021 0.000 0.992 162 D CA 1.715 55.691 54.000 -0.040 0.000 0.831 162 D CB -0.144 40.620 40.800 -0.059 0.000 0.973 162 D HN 0.229 nan 8.370 nan 0.000 0.447 163 M N -0.249 119.406 119.600 0.092 0.000 2.143 163 M HA -0.128 4.352 4.480 -0.000 0.000 0.258 163 M C 2.289 178.807 176.300 0.364 0.000 1.071 163 M CA 0.869 56.324 55.300 0.258 0.000 1.088 163 M CB -1.095 31.636 32.600 0.218 0.000 1.360 163 M HN 0.282 nan 8.290 nan 0.000 0.404 164 L N 0.623 121.941 121.223 0.158 0.000 1.976 164 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 164 L C 2.656 179.417 176.870 -0.181 0.000 1.071 164 L CA 2.434 57.113 54.840 -0.268 0.000 0.746 164 L CB -0.968 40.898 42.059 -0.322 0.000 0.890 164 L HN 0.449 nan 8.230 nan 0.000 0.432 165 S N -1.372 114.264 115.700 -0.106 0.000 2.462 165 S HA -0.174 4.296 4.470 -0.000 0.000 0.243 165 S C 1.851 176.377 174.600 -0.123 0.000 1.003 165 S CA 1.036 59.175 58.200 -0.101 0.000 0.970 165 S CB -0.509 62.649 63.200 -0.071 0.000 0.762 165 S HN 0.457 nan 8.310 nan 0.000 0.510 166 K N 0.475 120.785 120.400 -0.150 0.000 2.141 166 K HA 0.273 4.593 4.320 -0.000 0.000 0.202 166 K C 1.078 177.405 176.600 -0.455 0.000 1.045 166 K CA 0.831 56.883 56.287 -0.391 0.000 0.971 166 K CB -0.406 31.669 32.500 -0.708 0.000 0.795 166 K HN 0.600 nan 8.250 nan 0.000 0.459 167 F N 0.616 120.577 119.950 0.019 0.000 2.682 167 F HA 0.303 4.830 4.527 -0.000 0.000 0.308 167 F C 1.209 177.060 175.800 0.084 0.000 1.093 167 F CA -0.710 57.350 58.000 0.100 0.000 1.244 167 F CB 0.160 39.256 39.000 0.161 0.000 1.052 167 F HN -0.139 nan 8.300 nan 0.000 0.573 168 G N 1.637 110.455 108.800 0.030 0.000 2.343 168 G HA2 0.401 4.361 3.960 -0.000 0.000 0.254 168 G HA3 0.401 4.361 3.960 -0.000 0.000 0.254 168 G C -0.030 174.847 174.900 -0.038 0.000 1.277 168 G CA -0.263 44.719 45.100 -0.195 0.000 0.909 168 G HN 0.179 nan 8.290 nan 0.000 0.502 169 R N 1.320 121.845 120.500 0.041 0.000 2.810 169 R HA 0.333 4.673 4.340 -0.000 0.000 0.245 169 R C 0.759 177.081 176.300 0.035 0.000 1.168 169 R CA -0.864 55.272 56.100 0.060 0.000 1.096 169 R CB 1.082 31.450 30.300 0.114 0.000 1.259 169 R HN 0.449 nan 8.270 nan 0.000 0.518 170 D N 1.152 121.577 120.400 0.041 0.000 2.178 170 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 170 D C 0.956 177.290 176.300 0.057 0.000 0.974 170 D CA 1.379 55.398 54.000 0.032 0.000 0.841 170 D CB 0.202 41.019 40.800 0.029 0.000 0.953 170 D HN 0.472 nan 8.370 nan 0.000 0.478 171 K N 0.803 121.256 120.400 0.088 0.000 2.487 171 K HA 0.034 4.354 4.320 -0.000 0.000 0.192 171 K C 0.149 176.852 176.600 0.171 0.000 1.027 171 K CA 0.092 56.450 56.287 0.120 0.000 1.054 171 K CB 0.332 32.905 32.500 0.122 0.000 0.824 171 K HN -0.129 nan 8.250 nan 0.000 0.510 172 D N 1.630 122.131 120.400 0.168 0.000 2.339 172 D HA 0.160 4.800 4.640 -0.000 0.000 0.245 172 D C 0.185 176.575 176.300 0.151 0.000 1.115 172 D CA -0.257 53.889 54.000 0.242 0.000 0.917 172 D CB 0.938 41.919 40.800 0.301 0.000 1.192 172 D HN -0.017 nan 8.370 nan 0.000 0.428 173 I N 1.618 122.279 120.570 0.151 0.000 2.428 173 I HA 0.363 4.533 4.170 -0.000 0.000 0.296 173 I C 0.482 176.526 176.117 -0.122 0.000 0.985 173 I CA -0.473 60.763 61.300 -0.107 0.000 1.260 173 I CB 0.801 38.560 38.000 -0.402 0.000 1.389 173 I HN 0.157 nan 8.210 nan 0.000 0.484 174 I N 6.133 126.568 120.570 -0.224 0.000 2.509 174 I HA 0.411 4.581 4.170 -0.000 0.000 0.293 174 I C -0.686 175.259 176.117 -0.286 0.000 1.020 174 I CA -0.646 60.560 61.300 -0.157 0.000 1.088 174 I CB 2.375 40.328 38.000 -0.079 0.000 1.267 174 I HN 0.271 nan 8.210 nan 0.000 0.430 175 L N 6.596 127.663 121.223 -0.260 0.000 2.345 175 L HA 0.511 4.851 4.340 -0.000 0.000 0.274 175 L C -0.625 176.256 176.870 0.019 0.000 0.999 175 L CA -0.287 54.305 54.840 -0.414 0.000 0.849 175 L CB 1.107 42.530 42.059 -1.059 0.000 1.220 175 L HN 0.548 nan 8.230 nan 0.000 0.422 176 N N 5.079 123.885 118.700 0.177 0.000 2.976 176 N HA 0.124 4.864 4.740 -0.000 0.000 0.249 176 N C -2.314 173.396 175.510 0.333 0.000 1.258 176 N CA -0.895 52.379 53.050 0.374 0.000 0.864 176 N CB 2.304 41.006 38.487 0.358 0.000 1.551 176 N HN 0.089 nan 8.380 nan 0.000 0.607 177 P HA -0.169 nan 4.420 nan 0.000 0.218 177 P C 0.473 177.710 177.300 -0.105 0.000 1.152 177 P CA 1.521 64.677 63.100 0.093 0.000 0.857 177 P CB 0.071 31.778 31.700 0.012 0.000 0.787 178 Y N -0.876 119.566 120.300 0.236 0.000 2.532 178 Y HA 0.266 4.816 4.550 -0.000 0.000 0.283 178 Y C 0.897 177.024 175.900 0.379 0.000 1.181 178 Y CA -0.594 57.676 58.100 0.282 0.000 1.256 178 Y CB -0.277 38.360 38.460 0.295 0.000 1.112 178 Y HN -0.022 nan 8.280 nan 0.000 0.521 179 D N 0.128 120.745 120.400 0.360 0.000 2.391 179 D HA 0.069 4.709 4.640 -0.000 0.000 0.245 179 D C 0.864 177.172 176.300 0.014 0.000 1.069 179 D CA -0.208 53.900 54.000 0.181 0.000 0.831 179 D CB 1.872 42.850 40.800 0.297 0.000 1.204 179 D HN 0.055 nan 8.370 nan 0.000 0.503 180 Q N 3.342 123.084 119.800 -0.096 0.000 2.156 180 Q HA -0.229 4.111 4.340 -0.000 0.000 0.211 180 Q C 1.510 177.479 176.000 -0.051 0.000 0.995 180 Q CA 1.984 57.740 55.803 -0.079 0.000 0.877 180 Q CB 0.122 28.790 28.738 -0.117 0.000 0.920 180 Q HN 0.492 nan 8.270 nan 0.000 0.416 181 R N -0.473 119.994 120.500 -0.055 0.000 2.276 181 R HA 0.061 4.401 4.340 -0.000 0.000 0.203 181 R C 0.888 177.157 176.300 -0.053 0.000 1.017 181 R CA 0.658 56.728 56.100 -0.050 0.000 1.010 181 R CB -0.420 29.844 30.300 -0.059 0.000 0.900 181 R HN 0.128 nan 8.270 nan 0.000 0.469 182 T N 1.096 115.631 114.554 -0.030 0.000 2.855 182 T HA -0.003 4.346 4.350 -0.000 0.000 0.322 182 T C 0.317 174.964 174.700 -0.088 0.000 1.088 182 T CA 0.029 62.095 62.100 -0.057 0.000 1.104 182 T CB 0.506 69.382 68.868 0.014 0.000 0.996 182 T HN -0.066 nan 8.240 nan 0.000 0.549 183 K N 1.703 121.996 120.400 -0.179 0.000 2.109 183 K HA 0.466 4.785 4.320 -0.000 0.000 0.243 183 K C 0.455 177.058 176.600 0.005 0.000 1.006 183 K CA -0.503 55.691 56.287 -0.155 0.000 0.917 183 K CB 0.869 33.096 32.500 -0.455 0.000 1.081 183 K HN 0.765 nan 8.250 nan 0.000 0.468 184 G N 0.366 109.230 108.800 0.106 0.000 2.322 184 G HA2 0.383 4.343 3.960 -0.000 0.000 0.309 184 G HA3 0.383 4.343 3.960 -0.000 0.000 0.309 184 G C -1.508 173.597 174.900 0.341 0.000 1.121 184 G CA -0.365 44.846 45.100 0.184 0.000 0.886 184 G HN 0.563 nan 8.290 nan 0.000 0.447 185 W N 2.036 123.430 121.300 0.156 0.000 3.167 185 W HA 0.657 5.317 4.660 -0.000 0.000 0.324 185 W C -0.767 175.919 176.519 0.279 0.000 1.230 185 W CA -0.822 56.658 57.345 0.224 0.000 1.184 185 W CB 2.212 31.816 29.460 0.239 0.000 1.414 185 W HN 0.729 nan 8.180 nan 0.000 0.551 186 S N 3.519 118.674 115.700 -0.907 0.000 2.541 186 S HA 0.323 4.793 4.470 -0.000 0.000 0.271 186 S C 0.276 173.927 174.600 -1.581 0.000 1.133 186 S CA -0.346 57.306 58.200 -0.915 0.000 0.876 186 S CB 0.368 63.428 63.200 -0.233 0.000 1.105 186 S HN 0.877 nan 8.310 nan 0.000 0.470 187 F N 2.731 121.955 119.950 -1.210 0.000 2.269 187 F HA 0.132 4.659 4.527 -0.000 0.000 0.301 187 F C 1.343 176.913 175.800 -0.383 0.000 1.082 187 F CA 0.905 58.533 58.000 -0.621 0.000 1.360 187 F CB -0.853 38.015 39.000 -0.221 0.000 1.041 187 F HN 0.551 nan 8.300 nan 0.000 0.512 188 F N 1.884 121.091 119.950 -1.237 0.000 2.115 188 F HA -0.301 4.225 4.527 -0.000 0.000 0.300 188 F C 1.934 177.408 175.800 -0.543 0.000 1.092 188 F CA 1.926 59.381 58.000 -0.909 0.000 1.245 188 F CB -0.970 37.658 39.000 -0.621 0.000 0.995 188 F HN 0.031 nan 8.300 nan 0.000 0.481 189 N N 0.286 118.831 118.700 -0.258 0.000 2.659 189 N HA -0.145 4.595 4.740 -0.000 0.000 0.194 189 N C 0.987 176.409 175.510 -0.147 0.000 1.140 189 N CA 0.991 53.942 53.050 -0.164 0.000 0.936 189 N CB -0.379 38.047 38.487 -0.101 0.000 0.970 189 N HN 0.477 nan 8.380 nan 0.000 0.449 190 E N -0.501 119.549 120.200 -0.250 0.000 2.572 190 E HA 0.136 4.486 4.350 -0.000 0.000 0.220 190 E C 0.093 176.456 176.600 -0.395 0.000 0.945 190 E CA -0.211 55.992 56.400 -0.327 0.000 1.070 190 E CB 0.851 30.223 29.700 -0.547 0.000 1.090 190 E HN 0.180 nan 8.360 nan 0.000 0.506 191 I N 2.572 122.888 120.570 -0.423 0.000 2.505 191 I HA 0.066 4.236 4.170 -0.000 0.000 0.287 191 I C 1.368 177.266 176.117 -0.366 0.000 1.104 191 I CA 0.534 61.528 61.300 -0.509 0.000 1.387 191 I CB 0.142 37.614 38.000 -0.880 0.000 1.404 191 I HN -0.039 nan 8.210 nan 0.000 0.528 192 R N 3.953 124.264 120.500 -0.315 0.000 2.517 192 R HA 0.285 4.625 4.340 -0.000 0.000 0.265 192 R C -0.035 176.127 176.300 -0.231 0.000 0.921 192 R CA -0.124 55.844 56.100 -0.221 0.000 1.054 192 R CB 0.794 31.008 30.300 -0.143 0.000 1.340 192 R HN 0.601 nan 8.270 nan 0.000 0.551 193 N N 0.110 118.595 118.700 -0.358 0.000 2.774 193 N HA 0.046 4.786 4.740 -0.000 0.000 0.264 193 N C -0.282 175.026 175.510 -0.336 0.000 1.415 193 N CA -0.467 52.384 53.050 -0.332 0.000 0.815 193 N CB 1.640 39.838 38.487 -0.481 0.000 1.514 193 N HN -0.232 nan 8.380 nan 0.000 0.523 194 D N -0.089 120.245 120.400 -0.111 0.000 2.097 194 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 194 D C 1.817 178.194 176.300 0.128 0.000 0.984 194 D CA 1.550 55.606 54.000 0.093 0.000 0.826 194 D CB -0.066 40.847 40.800 0.189 0.000 0.973 194 D HN 0.640 nan 8.370 nan 0.000 0.460 195 Y N -0.071 120.290 120.300 0.102 0.000 2.384 195 Y HA -0.060 4.489 4.550 -0.000 0.000 0.289 195 Y C 1.479 177.434 175.900 0.091 0.000 1.152 195 Y CA 1.047 59.204 58.100 0.096 0.000 1.258 195 Y CB -0.822 37.669 38.460 0.052 0.000 0.979 195 Y HN -0.089 nan 8.280 nan 0.000 0.549 196 D N 0.110 120.307 120.400 -0.338 0.000 2.309 196 D HA -0.182 4.458 4.640 -0.000 0.000 0.212 196 D C 1.345 177.693 176.300 0.080 0.000 0.968 196 D CA 1.259 55.160 54.000 -0.165 0.000 0.882 196 D CB -0.420 40.193 40.800 -0.310 0.000 0.918 196 D HN 0.596 nan 8.370 nan 0.000 0.503 197 W N 1.093 122.465 121.300 0.120 0.000 2.380 197 W HA -0.205 4.455 4.660 -0.000 0.000 0.317 197 W C 2.802 179.400 176.519 0.131 0.000 1.196 197 W CA 0.437 57.870 57.345 0.146 0.000 1.307 197 W CB -0.366 29.151 29.460 0.095 0.000 1.157 197 W HN -0.057 nan 8.180 nan 0.000 0.483 198 Q N 1.316 121.325 119.800 0.347 0.000 2.050 198 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 198 Q C 2.162 178.235 176.000 0.122 0.000 0.980 198 Q CA 2.157 58.077 55.803 0.195 0.000 0.840 198 Q CB -0.701 28.125 28.738 0.146 0.000 0.898 198 Q HN 0.209 nan 8.270 nan 0.000 0.424 199 R N -1.211 119.344 120.500 0.091 0.000 2.159 199 R HA -0.251 4.089 4.340 -0.000 0.000 0.249 199 R C 1.714 177.864 176.300 -0.250 0.000 1.136 199 R CA 2.242 58.278 56.100 -0.105 0.000 0.951 199 R CB -0.553 29.641 30.300 -0.177 0.000 0.876 199 R HN 0.495 nan 8.270 nan 0.000 0.440 200 Y N -0.842 119.539 120.300 0.134 0.000 2.523 200 Y HA 0.214 4.764 4.550 -0.000 0.000 0.279 200 Y C 2.163 178.082 175.900 0.032 0.000 1.139 200 Y CA 0.355 58.533 58.100 0.129 0.000 1.296 200 Y CB 0.188 38.775 38.460 0.211 0.000 1.045 200 Y HN 0.249 nan 8.280 nan 0.000 0.538 201 A N -0.271 122.616 122.820 0.111 0.000 2.067 201 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 201 A C 1.943 179.524 177.584 -0.005 0.000 1.158 201 A CA 1.165 53.193 52.037 -0.016 0.000 0.661 201 A CB -0.574 18.445 19.000 0.031 0.000 0.801 201 A HN 0.348 nan 8.150 nan 0.000 0.452 202 L N -0.409 120.826 121.223 0.021 0.000 2.109 202 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 202 L C 2.638 179.529 176.870 0.035 0.000 1.086 202 L CA 2.045 56.894 54.840 0.014 0.000 0.760 202 L CB -0.894 41.161 42.059 -0.006 0.000 0.910 202 L HN 0.320 nan 8.230 nan 0.000 0.437 203 S N -1.436 114.310 115.700 0.077 0.000 2.377 203 S HA -0.081 4.389 4.470 -0.000 0.000 0.223 203 S C 2.053 176.726 174.600 0.123 0.000 1.030 203 S CA 0.945 59.228 58.200 0.138 0.000 0.970 203 S CB -0.089 63.279 63.200 0.279 0.000 0.830 203 S HN 0.202 nan 8.310 nan 0.000 0.473 204 V N 1.371 121.326 119.914 0.068 0.000 2.307 204 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 204 V C 0.749 176.844 176.094 0.002 0.000 1.045 204 V CA 1.060 63.344 62.300 -0.026 0.000 1.024 204 V CB -0.259 31.370 31.823 -0.323 0.000 0.651 204 V HN 0.266 nan 8.190 nan 0.000 0.449 205 V N 3.266 123.172 119.914 -0.013 0.000 2.275 205 V HA 0.315 4.435 4.120 -0.000 0.000 0.272 205 V C -2.049 174.055 176.094 0.017 0.000 1.028 205 V CA -1.697 60.609 62.300 0.011 0.000 0.810 205 V CB 0.970 32.796 31.823 0.005 0.000 1.043 205 V HN 0.319 nan 8.190 nan 0.000 0.453 206 P HA 0.145 nan 4.420 nan 0.000 0.272 206 P C -0.230 177.062 177.300 -0.014 0.000 1.254 206 P CA -0.486 62.615 63.100 0.002 0.000 0.795 206 P CB 0.779 32.471 31.700 -0.013 0.000 1.022 207 R N -0.388 120.091 120.500 -0.035 0.000 2.643 207 R HA 0.281 4.621 4.340 -0.000 0.000 0.270 207 R C 0.946 177.206 176.300 -0.067 0.000 1.061 207 R CA 0.103 56.173 56.100 -0.049 0.000 1.107 207 R CB -0.636 29.631 30.300 -0.054 0.000 0.999 207 R HN 0.610 nan 8.270 nan 0.000 0.460 208 G N 1.159 109.922 108.800 -0.063 0.000 2.406 208 G HA2 0.011 3.971 3.960 -0.000 0.000 0.251 208 G HA3 0.011 3.971 3.960 -0.000 0.000 0.251 208 G C 0.863 175.706 174.900 -0.094 0.000 1.271 208 G CA -0.401 44.659 45.100 -0.067 0.000 0.859 208 G HN 0.645 nan 8.290 nan 0.000 0.540 209 K N 0.485 120.835 120.400 -0.085 0.000 2.063 209 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 209 K C 1.463 178.008 176.600 -0.092 0.000 1.048 209 K CA 1.656 57.889 56.287 -0.091 0.000 0.928 209 K CB -0.108 32.352 32.500 -0.066 0.000 0.713 209 K HN 0.634 nan 8.250 nan 0.000 0.442 210 T N -2.414 112.071 114.554 -0.115 0.000 2.940 210 T HA 0.192 4.542 4.350 -0.000 0.000 0.288 210 T C 0.405 174.994 174.700 -0.186 0.000 1.045 210 T CA -0.895 61.123 62.100 -0.137 0.000 1.018 210 T CB 1.492 70.272 68.868 -0.148 0.000 1.151 210 T HN -0.068 nan 8.240 nan 0.000 0.529 211 D N 0.187 120.481 120.400 -0.176 0.000 2.117 211 D HA -0.089 4.551 4.640 -0.000 0.000 0.197 211 D C 1.752 177.869 176.300 -0.305 0.000 0.987 211 D CA 1.410 55.295 54.000 -0.192 0.000 0.829 211 D CB -0.110 40.604 40.800 -0.143 0.000 0.961 211 D HN 0.856 nan 8.370 nan 0.000 0.460 212 E N 0.467 120.432 120.200 -0.392 0.000 2.051 212 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 212 E C 2.039 177.964 176.600 -1.125 0.000 0.991 212 E CA 1.091 57.084 56.400 -0.678 0.000 0.799 212 E CB -0.017 29.305 29.700 -0.631 0.000 0.748 212 E HN 0.158 nan 8.360 nan 0.000 0.449 213 A N 1.111 123.412 122.820 -0.866 0.000 1.892 213 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 213 A C 2.087 179.508 177.584 -0.273 0.000 1.188 213 A CA 2.107 53.807 52.037 -0.563 0.000 0.631 213 A CB -0.791 18.096 19.000 -0.188 0.000 0.822 213 A HN 0.374 nan 8.150 nan 0.000 0.447 214 E N 0.218 120.267 120.200 -0.251 0.000 2.110 214 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 214 E C 1.914 178.395 176.600 -0.198 0.000 0.988 214 E CA 1.709 58.012 56.400 -0.160 0.000 0.804 214 E CB -0.354 29.258 29.700 -0.147 0.000 0.745 214 E HN 0.712 nan 8.360 nan 0.000 0.458 215 E N -0.568 119.437 120.200 -0.325 0.000 2.038 215 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 215 E C 1.650 178.076 176.600 -0.291 0.000 1.000 215 E CA 1.645 57.828 56.400 -0.363 0.000 0.803 215 E CB -0.308 29.178 29.700 -0.357 0.000 0.750 215 E HN 0.419 nan 8.360 nan 0.000 0.448 216 W N 0.348 121.621 121.300 -0.046 0.000 2.338 216 W HA -0.092 4.568 4.660 -0.000 0.000 0.304 216 W C 2.528 179.087 176.519 0.067 0.000 1.212 216 W CA 0.854 58.285 57.345 0.144 0.000 1.264 216 W CB -1.411 28.148 29.460 0.164 0.000 1.142 216 W HN 0.236 nan 8.180 nan 0.000 0.512 217 A N 1.250 124.207 122.820 0.228 0.000 1.903 217 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 217 A C 2.273 179.894 177.584 0.061 0.000 1.191 217 A CA 3.558 55.668 52.037 0.122 0.000 0.638 217 A CB -1.304 17.721 19.000 0.043 0.000 0.823 217 A HN 0.330 nan 8.150 nan 0.000 0.451 218 S N -1.388 114.280 115.700 -0.054 0.000 2.383 218 S HA -0.202 4.268 4.470 -0.000 0.000 0.227 218 S C 1.910 176.520 174.600 0.017 0.000 1.026 218 S CA 1.370 59.516 58.200 -0.090 0.000 0.981 218 S CB -0.977 62.085 63.200 -0.229 0.000 0.818 218 S HN 0.658 nan 8.310 nan 0.000 0.472 219 Y N 2.297 122.706 120.300 0.181 0.000 2.181 219 Y HA -0.022 4.528 4.550 -0.000 0.000 0.288 219 Y C 3.086 179.151 175.900 0.275 0.000 1.146 219 Y CA 0.517 58.787 58.100 0.283 0.000 1.164 219 Y CB -0.963 37.716 38.460 0.364 0.000 0.982 219 Y HN 0.444 nan 8.280 nan 0.000 0.515 220 G N 0.363 109.366 108.800 0.339 0.000 2.459 220 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 220 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 220 G C 1.632 176.615 174.900 0.138 0.000 1.183 220 G CA 0.987 46.203 45.100 0.194 0.000 0.776 220 G HN 0.289 nan 8.290 nan 0.000 0.552 221 R N -0.346 120.219 120.500 0.107 0.000 2.105 221 R HA -0.063 4.277 4.340 -0.000 0.000 0.239 221 R C 2.499 178.848 176.300 0.081 0.000 1.135 221 R CA 1.219 57.356 56.100 0.063 0.000 0.967 221 R CB -0.649 29.675 30.300 0.041 0.000 0.861 221 R HN 0.414 nan 8.270 nan 0.000 0.442 222 L N 1.093 122.396 121.223 0.132 0.000 1.961 222 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 222 L C 2.238 179.202 176.870 0.156 0.000 1.072 222 L CA 1.477 56.390 54.840 0.122 0.000 0.749 222 L CB -0.762 41.370 42.059 0.122 0.000 0.889 222 L HN 0.080 nan 8.230 nan 0.000 0.432 223 L N -0.753 120.645 121.223 0.292 0.000 2.021 223 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 223 L C 2.363 179.270 176.870 0.062 0.000 1.074 223 L CA 2.208 57.164 54.840 0.194 0.000 0.760 223 L CB -0.965 41.127 42.059 0.055 0.000 0.889 223 L HN 0.461 nan 8.230 nan 0.000 0.433 224 L N 0.275 121.525 121.223 0.045 0.000 1.943 224 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 224 L C 2.917 179.779 176.870 -0.013 0.000 1.074 224 L CA 2.573 57.415 54.840 0.003 0.000 0.759 224 L CB -0.924 41.109 42.059 -0.042 0.000 0.888 224 L HN 0.552 nan 8.230 nan 0.000 0.433 225 R N -1.082 119.413 120.500 -0.008 0.000 2.117 225 R HA -0.181 4.159 4.340 -0.000 0.000 0.243 225 R C 1.820 177.960 176.300 -0.267 0.000 1.143 225 R CA 1.731 57.796 56.100 -0.059 0.000 0.968 225 R CB -0.784 29.546 30.300 0.050 0.000 0.863 225 R HN 0.417 nan 8.270 nan 0.000 0.444 226 E N 0.455 120.556 120.200 -0.165 0.000 2.112 226 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 226 E C 1.984 178.448 176.600 -0.227 0.000 0.979 226 E CA 1.656 57.925 56.400 -0.218 0.000 0.814 226 E CB -0.167 29.455 29.700 -0.131 0.000 0.762 226 E HN 0.456 nan 8.360 nan 0.000 0.460 227 T N 1.132 115.618 114.554 -0.113 0.000 2.732 227 T HA -0.046 4.304 4.350 -0.000 0.000 0.261 227 T C 1.970 176.705 174.700 0.059 0.000 1.040 227 T CA 1.422 63.524 62.100 0.003 0.000 1.145 227 T CB -0.221 68.710 68.868 0.104 0.000 0.866 227 T HN 0.227 nan 8.240 nan 0.000 0.427 228 A N 1.398 124.227 122.820 0.014 0.000 2.019 228 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 228 A C 2.218 179.668 177.584 -0.223 0.000 1.164 228 A CA 1.536 53.621 52.037 0.080 0.000 0.644 228 A CB -0.489 18.578 19.000 0.111 0.000 0.805 228 A HN 0.434 nan 8.150 nan 0.000 0.449 229 K N -0.150 119.821 120.400 -0.716 0.000 2.103 229 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 229 K C 2.109 178.545 176.600 -0.274 0.000 1.052 229 K CA 1.554 57.259 56.287 -0.970 0.000 0.945 229 K CB -0.130 31.692 32.500 -1.131 0.000 0.722 229 K HN 0.466 nan 8.250 nan 0.000 0.443 230 K N 0.829 121.112 120.400 -0.195 0.000 2.007 230 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 230 K C 2.154 178.814 176.600 0.100 0.000 1.047 230 K CA 0.936 57.156 56.287 -0.111 0.000 0.937 230 K CB -0.104 32.188 32.500 -0.347 0.000 0.718 230 K HN 0.069 nan 8.250 nan 0.000 0.438 231 L N 0.824 122.204 121.223 0.260 0.000 2.021 231 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 231 L C 2.655 179.651 176.870 0.211 0.000 1.074 231 L CA 1.552 56.584 54.840 0.321 0.000 0.760 231 L CB -0.740 41.554 42.059 0.391 0.000 0.889 231 L HN 0.379 nan 8.230 nan 0.000 0.433 232 A N 0.023 123.005 122.820 0.270 0.000 1.865 232 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 232 A C 2.263 179.941 177.584 0.156 0.000 1.191 232 A CA 1.577 53.764 52.037 0.250 0.000 0.623 232 A CB -0.830 18.487 19.000 0.529 0.000 0.826 232 A HN 0.343 nan 8.150 nan 0.000 0.444 233 L N -0.128 121.180 121.223 0.142 0.000 1.997 233 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 233 L C 2.203 179.116 176.870 0.072 0.000 1.074 233 L CA 1.990 56.884 54.840 0.090 0.000 0.763 233 L CB -0.595 41.489 42.059 0.043 0.000 0.890 233 L HN 0.711 nan 8.230 nan 0.000 0.434 234 I N -2.061 118.560 120.570 0.085 0.000 3.609 234 I HA 0.195 4.365 4.170 -0.000 0.000 0.305 234 I C 1.217 177.375 176.117 0.068 0.000 1.239 234 I CA 0.454 61.804 61.300 0.084 0.000 1.191 234 I CB -1.110 36.967 38.000 0.128 0.000 1.020 234 I HN 0.322 nan 8.210 nan 0.000 0.471 235 G N 2.377 111.208 108.800 0.050 0.000 2.269 235 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.277 235 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.277 235 G C 0.464 175.357 174.900 -0.012 0.000 1.008 235 G CA 0.819 45.929 45.100 0.016 0.000 0.774 235 G HN 0.841 nan 8.290 nan 0.000 0.511 236 T N -1.889 112.667 114.554 0.002 0.000 3.444 236 T HA 0.593 4.943 4.350 -0.000 0.000 0.265 236 T C -1.737 172.899 174.700 -0.108 0.000 1.537 236 T CA -1.097 60.986 62.100 -0.029 0.000 1.530 236 T CB 1.875 70.766 68.868 0.039 0.000 0.958 236 T HN 0.160 nan 8.240 nan 0.000 0.684 237 P HA 0.135 nan 4.420 nan 0.000 0.235 237 P C -0.032 176.776 177.300 -0.820 0.000 1.720 237 P CA 0.093 62.628 63.100 -0.942 0.000 1.003 237 P CB -0.345 30.612 31.700 -1.238 0.000 1.968 238 S N 1.714 117.263 115.700 -0.253 0.000 2.475 238 S HA 0.290 4.760 4.470 -0.000 0.000 0.281 238 S C 1.400 176.104 174.600 0.174 0.000 1.198 238 S CA -0.672 57.498 58.200 -0.050 0.000 1.063 238 S CB 0.360 63.559 63.200 -0.002 0.000 0.972 238 S HN -0.037 nan 8.310 nan 0.000 0.486 239 M N 3.916 123.638 119.600 0.204 0.000 2.254 239 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 239 M C 2.007 178.470 176.300 0.271 0.000 1.066 239 M CA 1.093 56.590 55.300 0.327 0.000 1.123 239 M CB -1.186 31.584 32.600 0.283 0.000 1.388 239 M HN 0.704 nan 8.290 nan 0.000 0.425 240 R N 0.700 121.297 120.500 0.162 0.000 2.075 240 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 240 R C 2.036 178.440 176.300 0.173 0.000 1.126 240 R CA 1.301 57.477 56.100 0.127 0.000 0.963 240 R CB -0.141 30.180 30.300 0.035 0.000 0.858 240 R HN 0.193 nan 8.270 nan 0.000 0.435 241 E N 0.321 120.601 120.200 0.133 0.000 2.031 241 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 241 E C 1.885 178.645 176.600 0.266 0.000 0.994 241 E CA 1.150 57.609 56.400 0.098 0.000 0.800 241 E CB -0.575 29.190 29.700 0.108 0.000 0.752 241 E HN 0.210 nan 8.360 nan 0.000 0.447 242 L N 0.553 122.002 121.223 0.377 0.000 1.990 242 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 242 L C 2.361 179.439 176.870 0.346 0.000 1.072 242 L CA 1.754 56.847 54.840 0.422 0.000 0.755 242 L CB -0.943 41.382 42.059 0.443 0.000 0.889 242 L HN 0.105 nan 8.230 nan 0.000 0.432 243 F N -0.378 119.688 119.950 0.194 0.000 2.095 243 F HA -0.301 4.226 4.527 -0.000 0.000 0.298 243 F C 2.629 178.482 175.800 0.088 0.000 1.104 243 F CA 2.169 60.248 58.000 0.131 0.000 1.232 243 F CB -0.542 38.530 39.000 0.121 0.000 0.987 243 F HN 0.493 nan 8.300 nan 0.000 0.475 244 H N -1.230 117.970 119.070 0.216 0.000 2.267 244 H HA -0.258 4.298 4.556 -0.000 0.000 0.297 244 H C 2.232 177.521 175.328 -0.065 0.000 1.080 244 H CA 2.620 58.673 56.048 0.009 0.000 1.278 244 H CB -1.110 28.539 29.762 -0.187 0.000 1.365 244 H HN 0.452 nan 8.280 nan 0.000 0.489 245 W N 0.435 121.633 121.300 -0.169 0.000 2.301 245 W HA -0.295 4.365 4.660 -0.000 0.000 0.325 245 W C 2.966 179.319 176.519 -0.276 0.000 1.250 245 W CA 1.910 59.106 57.345 -0.247 0.000 1.261 245 W CB -0.748 28.623 29.460 -0.147 0.000 1.157 245 W HN 0.453 nan 8.180 nan 0.000 0.473 246 T N -3.612 110.969 114.554 0.045 0.000 3.007 246 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 246 T C 1.227 175.757 174.700 -0.284 0.000 1.107 246 T CA 1.639 63.665 62.100 -0.123 0.000 1.118 246 T CB -0.492 68.312 68.868 -0.107 0.000 0.889 246 T HN 0.259 nan 8.240 nan 0.000 0.506 247 T N -2.607 111.703 114.554 -0.406 0.000 3.131 247 T HA 0.395 4.745 4.350 -0.000 0.000 0.283 247 T C 1.212 175.702 174.700 -0.350 0.000 0.906 247 T CA -0.398 61.426 62.100 -0.459 0.000 0.882 247 T CB 0.170 68.589 68.868 -0.749 0.000 1.208 247 T HN 0.245 nan 8.240 nan 0.000 0.561 248 I N 1.768 122.118 120.570 -0.366 0.000 3.366 248 I HA 0.517 4.687 4.170 -0.000 0.000 0.267 248 I C 1.668 177.568 176.117 -0.362 0.000 1.149 248 I CA -0.060 61.048 61.300 -0.319 0.000 1.436 248 I CB -1.410 36.416 38.000 -0.291 0.000 1.379 248 I HN 0.336 nan 8.210 nan 0.000 0.460 249 A N 2.439 124.903 122.820 -0.593 0.000 2.555 249 A HA 0.233 4.553 4.320 -0.000 0.000 0.233 249 A C 0.951 178.499 177.584 -0.060 0.000 1.060 249 A CA 0.510 52.373 52.037 -0.291 0.000 0.759 249 A CB -0.487 18.477 19.000 -0.061 0.000 0.995 249 A HN 0.553 nan 8.150 nan 0.000 0.506 250 T N -0.308 114.262 114.554 0.026 0.000 2.856 250 T HA 0.225 4.574 4.350 -0.000 0.000 0.306 250 T C 0.902 175.687 174.700 0.140 0.000 1.062 250 T CA 0.226 62.373 62.100 0.078 0.000 1.083 250 T CB 0.082 68.999 68.868 0.081 0.000 0.984 250 T HN 0.420 nan 8.240 nan 0.000 0.542 251 F N 1.770 121.687 119.950 -0.055 0.000 2.043 251 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 251 F C 2.067 177.852 175.800 -0.025 0.000 1.118 251 F CA 2.434 60.395 58.000 -0.065 0.000 1.202 251 F CB -0.808 38.148 39.000 -0.073 0.000 0.965 251 F HN 0.680 nan 8.300 nan 0.000 0.482 252 D N -0.015 120.493 120.400 0.180 0.000 2.103 252 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 252 D C 2.010 178.359 176.300 0.082 0.000 0.997 252 D CA 1.714 55.774 54.000 0.101 0.000 0.833 252 D CB -0.863 39.997 40.800 0.100 0.000 0.961 252 D HN 0.269 nan 8.370 nan 0.000 0.447 253 D N 0.378 120.855 120.400 0.129 0.000 2.126 253 D HA -0.161 4.479 4.640 -0.000 0.000 0.190 253 D C 2.310 178.732 176.300 0.203 0.000 1.001 253 D CA 0.508 54.634 54.000 0.210 0.000 0.841 253 D CB -0.465 40.508 40.800 0.289 0.000 0.949 253 D HN 0.167 nan 8.370 nan 0.000 0.446 254 L N 0.799 122.111 121.223 0.149 0.000 1.989 254 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 254 L C 2.752 179.569 176.870 -0.088 0.000 1.071 254 L CA 1.363 56.212 54.840 0.015 0.000 0.749 254 L CB -0.085 41.926 42.059 -0.079 0.000 0.890 254 L HN -0.016 nan 8.230 nan 0.000 0.431 255 R N -0.312 120.119 120.500 -0.115 0.000 2.113 255 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 255 R C 2.063 178.320 176.300 -0.072 0.000 1.142 255 R CA 1.648 57.679 56.100 -0.114 0.000 0.953 255 R CB -1.282 28.968 30.300 -0.084 0.000 0.860 255 R HN 0.593 nan 8.270 nan 0.000 0.438 256 G N 0.734 109.524 108.800 -0.017 0.000 2.545 256 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 256 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 256 G C 1.302 176.173 174.900 -0.047 0.000 1.218 256 G CA 0.760 45.860 45.100 0.000 0.000 0.787 256 G HN 0.316 nan 8.290 nan 0.000 0.571 257 F N 1.350 121.142 119.950 -0.263 0.000 2.147 257 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 257 F C 2.383 177.966 175.800 -0.362 0.000 1.084 257 F CA 1.252 58.978 58.000 -0.457 0.000 1.268 257 F CB -0.227 38.079 39.000 -1.156 0.000 1.009 257 F HN 0.055 nan 8.300 nan 0.000 0.486 258 L N -0.140 120.856 121.223 -0.378 0.000 2.376 258 L HA -0.080 4.260 4.340 -0.000 0.000 0.219 258 L C 0.800 177.493 176.870 -0.296 0.000 1.133 258 L CA 0.290 54.904 54.840 -0.377 0.000 0.816 258 L CB -0.738 41.204 42.059 -0.195 0.000 0.933 258 L HN 0.044 nan 8.230 nan 0.000 0.449 259 E N 0.014 120.077 120.200 -0.229 0.000 2.502 259 E HA 0.052 4.401 4.350 -0.000 0.000 0.261 259 E C 1.154 177.636 176.600 -0.197 0.000 0.974 259 E CA 0.669 56.971 56.400 -0.163 0.000 0.936 259 E CB 0.301 29.935 29.700 -0.110 0.000 0.926 259 E HN 0.333 nan 8.360 nan 0.000 0.459 260 G N 2.685 111.396 108.800 -0.149 0.000 2.268 260 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.240 260 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.240 260 G C 0.472 175.276 174.900 -0.160 0.000 1.010 260 G CA 0.387 45.401 45.100 -0.143 0.000 0.618 260 G HN 0.687 nan 8.290 nan 0.000 0.516 261 T N -0.479 113.956 114.554 -0.199 0.000 2.928 261 T HA 0.694 5.044 4.350 -0.000 0.000 0.284 261 T C 1.774 176.391 174.700 -0.139 0.000 1.008 261 T CA -0.178 61.806 62.100 -0.193 0.000 1.057 261 T CB 1.699 70.412 68.868 -0.258 0.000 1.018 261 T HN 0.310 nan 8.240 nan 0.000 0.493 262 L N 1.027 122.177 121.223 -0.122 0.000 2.089 262 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 262 L C 2.939 179.746 176.870 -0.105 0.000 1.079 262 L CA 1.810 56.591 54.840 -0.098 0.000 0.758 262 L CB -0.992 41.016 42.059 -0.086 0.000 0.891 262 L HN 0.918 nan 8.230 nan 0.000 0.433 263 A N -0.675 122.083 122.820 -0.103 0.000 2.235 263 A HA -0.141 4.178 4.320 -0.000 0.000 0.208 263 A C 2.139 179.693 177.584 -0.050 0.000 1.172 263 A CA 0.871 52.857 52.037 -0.085 0.000 0.786 263 A CB -0.428 18.589 19.000 0.028 0.000 0.804 263 A HN 0.507 nan 8.150 nan 0.000 0.479 264 E N 0.298 120.450 120.200 -0.080 0.000 2.035 264 E HA -0.230 4.120 4.350 -0.000 0.000 0.204 264 E C 1.979 178.553 176.600 -0.044 0.000 1.025 264 E CA 2.035 58.392 56.400 -0.071 0.000 0.835 264 E CB -0.161 29.487 29.700 -0.086 0.000 0.764 264 E HN 0.533 nan 8.360 nan 0.000 0.457 265 S N 0.232 115.898 115.700 -0.056 0.000 2.362 265 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 265 S C 2.031 176.595 174.600 -0.061 0.000 1.032 265 S CA 0.670 58.842 58.200 -0.047 0.000 0.973 265 S CB -0.264 62.907 63.200 -0.048 0.000 0.849 265 S HN 0.261 nan 8.310 nan 0.000 0.465 266 L N 0.137 121.285 121.223 -0.124 0.000 2.123 266 L HA -0.191 4.149 4.340 -0.000 0.000 0.217 266 L C 1.308 178.032 176.870 -0.244 0.000 1.081 266 L CA 1.532 56.238 54.840 -0.223 0.000 0.772 266 L CB -0.534 41.305 42.059 -0.366 0.000 0.890 266 L HN 0.309 nan 8.230 nan 0.000 0.437 267 F N -0.530 119.369 119.950 -0.085 0.000 2.660 267 F HA 0.393 4.920 4.527 -0.000 0.000 0.297 267 F C 0.723 176.461 175.800 -0.103 0.000 1.132 267 F CA -0.463 57.465 58.000 -0.119 0.000 1.372 267 F CB 0.224 39.121 39.000 -0.172 0.000 1.003 267 F HN -0.005 nan 8.300 nan 0.000 0.524 268 A N -1.001 121.869 122.820 0.084 0.000 2.606 268 A HA 0.686 5.006 4.320 -0.000 0.000 0.293 268 A C 0.514 178.119 177.584 0.035 0.000 1.082 268 A CA 0.043 52.114 52.037 0.058 0.000 0.685 268 A CB 1.097 20.119 19.000 0.036 0.000 1.284 268 A HN 0.378 nan 8.150 nan 0.000 0.408 269 G N -0.552 108.271 108.800 0.038 0.000 2.336 269 G HA2 0.284 4.244 3.960 -0.000 0.000 0.194 269 G HA3 0.284 4.244 3.960 -0.000 0.000 0.194 269 G C 0.314 175.231 174.900 0.028 0.000 0.999 269 G CA 0.690 45.806 45.100 0.026 0.000 0.669 269 G HN 2.534 nan 8.290 nan 0.000 0.482 270 S N -1.064 114.658 115.700 0.037 0.000 2.615 270 S HA 0.582 5.051 4.470 -0.000 0.000 0.269 270 S C 0.560 175.187 174.600 0.045 0.000 1.161 270 S CA 0.122 58.343 58.200 0.035 0.000 0.817 270 S CB 1.037 64.254 63.200 0.028 0.000 1.131 270 S HN -0.004 nan 8.310 nan 0.000 0.467 271 N N 0.991 119.714 118.700 0.038 0.000 2.104 271 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 271 N C 1.500 177.039 175.510 0.048 0.000 1.024 271 N CA 1.837 54.911 53.050 0.040 0.000 0.853 271 N CB -0.555 37.949 38.487 0.029 0.000 1.008 271 N HN 0.805 nan 8.380 nan 0.000 0.424 272 E N 1.510 121.736 120.200 0.044 0.000 2.049 272 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 272 E C 1.854 178.474 176.600 0.034 0.000 1.007 272 E CA 1.701 58.128 56.400 0.045 0.000 0.809 272 E CB -0.513 29.214 29.700 0.045 0.000 0.749 272 E HN 0.307 nan 8.360 nan 0.000 0.450 273 A N -0.094 122.751 122.820 0.041 0.000 1.892 273 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 273 A C 2.496 180.148 177.584 0.113 0.000 1.188 273 A CA 2.395 54.468 52.037 0.061 0.000 0.631 273 A CB -0.995 18.042 19.000 0.062 0.000 0.822 273 A HN 0.333 nan 8.150 nan 0.000 0.447 274 S N -0.681 115.095 115.700 0.127 0.000 2.368 274 S HA -0.160 4.309 4.470 -0.000 0.000 0.225 274 S C 2.000 176.702 174.600 0.171 0.000 1.030 274 S CA 1.522 59.855 58.200 0.221 0.000 0.999 274 S CB -0.267 63.062 63.200 0.215 0.000 0.844 274 S HN 0.684 nan 8.310 nan 0.000 0.459 275 K N 1.615 122.065 120.400 0.083 0.000 2.009 275 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 275 K C 2.271 178.867 176.600 -0.006 0.000 1.049 275 K CA 1.409 57.726 56.287 0.051 0.000 0.929 275 K CB -0.467 32.066 32.500 0.055 0.000 0.714 275 K HN 0.282 nan 8.250 nan 0.000 0.440 276 A N 1.873 124.614 122.820 -0.133 0.000 1.948 276 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 276 A C 2.182 179.640 177.584 -0.210 0.000 1.177 276 A CA 1.556 53.268 52.037 -0.542 0.000 0.636 276 A CB -0.689 17.704 19.000 -1.013 0.000 0.815 276 A HN 0.483 nan 8.150 nan 0.000 0.449 277 L N -0.682 120.458 121.223 -0.137 0.000 1.994 277 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 277 L C 2.652 179.368 176.870 -0.257 0.000 1.071 277 L CA 2.305 56.807 54.840 -0.563 0.000 0.745 277 L CB -0.801 40.864 42.059 -0.656 0.000 0.892 277 L HN 0.429 nan 8.230 nan 0.000 0.431 278 T N -0.661 113.901 114.554 0.014 0.000 2.737 278 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 278 T C 1.999 176.735 174.700 0.060 0.000 1.040 278 T CA 1.675 63.806 62.100 0.052 0.000 1.142 278 T CB -0.168 68.764 68.868 0.107 0.000 0.861 278 T HN 0.356 nan 8.240 nan 0.000 0.456 279 S N 1.109 116.843 115.700 0.056 0.000 2.368 279 S HA 0.040 4.510 4.470 -0.000 0.000 0.224 279 S C 2.615 177.305 174.600 0.151 0.000 1.029 279 S CA 0.834 59.066 58.200 0.052 0.000 0.988 279 S CB -0.520 62.725 63.200 0.076 0.000 0.838 279 S HN 0.609 nan 8.310 nan 0.000 0.462 280 A N 2.263 125.165 122.820 0.138 0.000 1.940 280 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 280 A C 2.175 179.752 177.584 -0.012 0.000 1.176 280 A CA 1.124 53.235 52.037 0.122 0.000 0.631 280 A CB -0.410 18.629 19.000 0.066 0.000 0.814 280 A HN 0.289 nan 8.150 nan 0.000 0.446 281 R N -1.306 119.114 120.500 -0.134 0.000 2.070 281 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 281 R C 1.980 178.176 176.300 -0.172 0.000 1.138 281 R CA 1.675 57.638 56.100 -0.228 0.000 0.936 281 R CB -1.050 29.035 30.300 -0.357 0.000 0.839 281 R HN 0.615 nan 8.270 nan 0.000 0.429 282 F N 0.918 120.809 119.950 -0.098 0.000 2.087 282 F HA -0.295 4.232 4.527 -0.000 0.000 0.299 282 F C 2.674 178.446 175.800 -0.047 0.000 1.100 282 F CA 1.368 59.313 58.000 -0.093 0.000 1.226 282 F CB -0.645 38.263 39.000 -0.153 0.000 0.983 282 F HN -0.193 nan 8.300 nan 0.000 0.479 283 V N -0.082 119.943 119.914 0.185 0.000 2.219 283 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 283 V C 2.272 178.425 176.094 0.098 0.000 1.053 283 V CA 1.720 64.109 62.300 0.149 0.000 1.009 283 V CB -0.815 31.108 31.823 0.168 0.000 0.636 283 V HN 0.206 nan 8.190 nan 0.000 0.445 284 L N 1.102 122.352 121.223 0.045 0.000 2.079 284 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 284 L C 2.761 179.637 176.870 0.009 0.000 1.081 284 L CA 2.425 57.270 54.840 0.008 0.000 0.752 284 L CB -1.374 40.650 42.059 -0.057 0.000 0.896 284 L HN 0.643 nan 8.230 nan 0.000 0.433 285 S N -1.888 113.791 115.700 -0.036 0.000 2.423 285 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 285 S C 1.637 176.327 174.600 0.149 0.000 1.014 285 S CA 1.152 59.346 58.200 -0.011 0.000 0.965 285 S CB -0.325 62.846 63.200 -0.048 0.000 0.785 285 S HN 0.444 nan 8.310 nan 0.000 0.495 286 D N 1.440 121.921 120.400 0.136 0.000 2.120 286 D HA 0.042 4.682 4.640 -0.000 0.000 0.202 286 D C 1.999 178.385 176.300 0.143 0.000 0.972 286 D CA 0.903 54.985 54.000 0.136 0.000 0.837 286 D CB -0.014 40.854 40.800 0.114 0.000 0.989 286 D HN 0.329 nan 8.370 nan 0.000 0.469 287 K N 0.846 121.337 120.400 0.152 0.000 2.067 287 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 287 K C 2.509 179.305 176.600 0.327 0.000 1.048 287 K CA 0.103 56.501 56.287 0.185 0.000 0.954 287 K CB -0.759 31.830 32.500 0.149 0.000 0.737 287 K HN 0.173 nan 8.250 nan 0.000 0.444 288 L N 1.220 122.649 121.223 0.344 0.000 2.013 288 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 288 L C -0.674 176.460 176.870 0.439 0.000 1.073 288 L CA 1.495 56.617 54.840 0.469 0.000 0.753 288 L CB -1.844 40.508 42.059 0.487 0.000 0.890 288 L HN 0.082 nan 8.230 nan 0.000 0.432 289 P HA -0.290 nan 4.420 nan 0.000 0.216 289 P C 1.330 178.658 177.300 0.047 0.000 1.062 289 P CA 1.824 64.999 63.100 0.125 0.000 0.995 289 P CB -0.053 31.738 31.700 0.151 0.000 0.762 290 E N -1.984 118.241 120.200 0.041 0.000 2.118 290 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 290 E C 2.061 178.672 176.600 0.018 0.000 0.992 290 E CA 1.241 57.637 56.400 -0.007 0.000 0.804 290 E CB -1.063 28.569 29.700 -0.112 0.000 0.741 290 E HN 0.517 nan 8.360 nan 0.000 0.458 291 H N -0.094 119.052 119.070 0.127 0.000 2.422 291 H HA -0.068 4.488 4.556 -0.000 0.000 0.298 291 H C 2.247 177.681 175.328 0.177 0.000 1.098 291 H CA 1.191 57.364 56.048 0.208 0.000 1.315 291 H CB -0.090 29.805 29.762 0.222 0.000 1.382 291 H HN 0.009 nan 8.280 nan 0.000 0.523 292 V N 0.838 120.876 119.914 0.205 0.000 2.239 292 V HA -0.199 3.921 4.120 -0.000 0.000 0.242 292 V C 2.668 178.780 176.094 0.030 0.000 1.038 292 V CA 2.281 64.624 62.300 0.070 0.000 1.002 292 V CB -0.893 30.820 31.823 -0.182 0.000 0.641 292 V HN 0.571 nan 8.190 nan 0.000 0.449 293 T N -2.073 112.470 114.554 -0.019 0.000 3.118 293 T HA -0.095 4.255 4.350 -0.000 0.000 0.269 293 T C 0.742 175.429 174.700 -0.022 0.000 1.166 293 T CA 0.583 62.663 62.100 -0.034 0.000 1.073 293 T CB -0.417 68.429 68.868 -0.037 0.000 0.884 293 T HN 0.141 nan 8.240 nan 0.000 0.550 294 M N 2.251 121.892 119.600 0.068 0.000 2.235 294 M HA 0.336 4.816 4.480 -0.000 0.000 0.351 294 M C -2.399 173.974 176.300 0.121 0.000 1.178 294 M CA -2.311 53.063 55.300 0.123 0.000 1.143 294 M CB 0.966 33.745 32.600 0.299 0.000 1.530 294 M HN -0.069 nan 8.290 nan 0.000 0.461 295 P HA -0.045 nan 4.420 nan 0.000 0.261 295 P C -1.049 176.326 177.300 0.125 0.000 1.173 295 P CA 0.418 63.565 63.100 0.079 0.000 0.760 295 P CB 0.310 32.048 31.700 0.065 0.000 0.783 296 D N 1.970 122.420 120.400 0.084 0.000 2.256 296 D HA 0.486 5.125 4.640 -0.000 0.000 0.250 296 D C 0.641 176.991 176.300 0.084 0.000 1.093 296 D CA 0.502 54.551 54.000 0.081 0.000 0.882 296 D CB 1.547 42.371 40.800 0.039 0.000 1.185 296 D HN 0.446 nan 8.370 nan 0.000 0.437 297 G N 0.822 109.685 108.800 0.104 0.000 2.619 297 G HA2 0.230 4.189 3.960 -0.000 0.000 0.305 297 G HA3 0.230 4.189 3.960 -0.000 0.000 0.305 297 G C -0.616 174.354 174.900 0.116 0.000 1.330 297 G CA -0.614 44.555 45.100 0.116 0.000 0.789 297 G HN 0.383 nan 8.290 nan 0.000 0.487 298 D N -1.181 119.300 120.400 0.135 0.000 2.431 298 D HA 0.178 4.817 4.640 -0.000 0.000 0.213 298 D C 0.314 176.709 176.300 0.158 0.000 1.130 298 D CA -0.694 53.367 54.000 0.100 0.000 0.834 298 D CB -0.068 40.765 40.800 0.055 0.000 0.985 298 D HN 0.168 nan 8.370 nan 0.000 0.504 299 F N 2.071 122.097 119.950 0.126 0.000 2.607 299 F HA 0.186 4.713 4.527 -0.000 0.000 0.374 299 F C 0.353 176.298 175.800 0.241 0.000 1.104 299 F CA 0.362 58.456 58.000 0.156 0.000 1.296 299 F CB 0.807 39.882 39.000 0.125 0.000 1.085 299 F HN -0.090 nan 8.300 nan 0.000 0.584 300 S N 7.226 122.549 115.700 -0.628 0.000 2.707 300 S HA 0.368 4.838 4.470 -0.000 0.000 0.312 300 S C 0.966 175.282 174.600 -0.474 0.000 1.116 300 S CA -0.882 57.129 58.200 -0.314 0.000 1.078 300 S CB 0.351 63.451 63.200 -0.167 0.000 0.997 300 S HN 0.705 nan 8.310 nan 0.000 0.477 301 I N 4.406 124.885 120.570 -0.152 0.000 2.335 301 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 301 I C 2.654 178.867 176.117 0.159 0.000 1.129 301 I CA 1.107 62.434 61.300 0.045 0.000 1.402 301 I CB -0.231 37.828 38.000 0.098 0.000 1.069 301 I HN 0.648 nan 8.210 nan 0.000 0.424 302 R N 0.587 121.132 120.500 0.075 0.000 2.070 302 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 302 R C 2.550 178.877 176.300 0.045 0.000 1.138 302 R CA 1.922 58.070 56.100 0.080 0.000 0.936 302 R CB -0.599 29.722 30.300 0.035 0.000 0.839 302 R HN 0.276 nan 8.270 nan 0.000 0.429 303 S N 0.486 116.173 115.700 -0.022 0.000 2.370 303 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 303 S C 1.410 176.004 174.600 -0.010 0.000 1.033 303 S CA 1.364 59.541 58.200 -0.039 0.000 1.011 303 S CB -0.450 62.700 63.200 -0.084 0.000 0.852 303 S HN 0.481 nan 8.310 nan 0.000 0.457 304 W N 2.522 123.696 121.300 -0.210 0.000 2.318 304 W HA -0.143 4.517 4.660 -0.000 0.000 0.313 304 W C 1.635 178.147 176.519 -0.011 0.000 1.221 304 W CA 1.203 58.483 57.345 -0.110 0.000 1.266 304 W CB -0.576 28.833 29.460 -0.085 0.000 1.150 304 W HN 0.204 nan 8.180 nan 0.000 0.496 305 L N 0.319 121.534 121.223 -0.013 0.000 2.083 305 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 305 L C 2.421 179.166 176.870 -0.208 0.000 1.083 305 L CA 1.785 56.504 54.840 -0.201 0.000 0.752 305 L CB -0.836 41.248 42.059 0.043 0.000 0.899 305 L HN 0.075 nan 8.230 nan 0.000 0.433 306 E N -0.588 119.543 120.200 -0.114 0.000 2.107 306 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 306 E C 0.578 177.109 176.600 -0.114 0.000 0.982 306 E CA 0.284 56.629 56.400 -0.091 0.000 0.809 306 E CB -0.033 29.639 29.700 -0.047 0.000 0.756 306 E HN 0.281 nan 8.360 nan 0.000 0.459 307 D N 0.884 121.202 120.400 -0.137 0.000 2.358 307 D HA 0.007 4.647 4.640 -0.000 0.000 0.258 307 D C -1.856 174.347 176.300 -0.163 0.000 1.223 307 D CA -2.101 51.830 54.000 -0.115 0.000 0.886 307 D CB 1.295 42.052 40.800 -0.072 0.000 1.120 307 D HN -0.204 nan 8.370 nan 0.000 0.482 308 P HA -0.121 nan 4.420 nan 0.000 0.213 308 P C 0.539 177.789 177.300 -0.083 0.000 1.170 308 P CA 1.057 64.098 63.100 -0.098 0.000 0.898 308 P CB 0.149 31.816 31.700 -0.055 0.000 0.787 309 N N -0.569 118.106 118.700 -0.042 0.000 2.567 309 N HA -0.015 4.725 4.740 -0.000 0.000 0.195 309 N C 1.744 177.262 175.510 0.012 0.000 1.242 309 N CA 0.857 53.905 53.050 -0.004 0.000 0.884 309 N CB -0.664 37.832 38.487 0.016 0.000 1.007 309 N HN 0.213 nan 8.380 nan 0.000 0.450 310 G N 0.726 109.491 108.800 -0.059 0.000 2.469 310 G HA2 0.041 4.001 3.960 -0.000 0.000 0.220 310 G HA3 0.041 4.001 3.960 -0.000 0.000 0.220 310 G C 0.944 175.940 174.900 0.161 0.000 1.136 310 G CA 0.936 46.014 45.100 -0.037 0.000 0.759 310 G HN 0.620 nan 8.290 nan 0.000 0.562 311 G N -0.561 108.299 108.800 0.100 0.000 2.482 311 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.214 311 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.214 311 G C -0.753 174.391 174.900 0.406 0.000 1.271 311 G CA -0.084 45.171 45.100 0.258 0.000 0.944 311 G HN 0.606 nan 8.290 nan 0.000 0.568 312 N N -0.388 118.635 118.700 0.539 0.000 2.328 312 N HA 0.668 5.408 4.740 -0.000 0.000 0.299 312 N C -0.940 174.866 175.510 0.493 0.000 1.179 312 N CA -0.576 52.833 53.050 0.598 0.000 0.793 312 N CB 2.204 40.876 38.487 0.309 0.000 1.366 312 N HN 0.619 nan 8.380 nan 0.000 0.493 313 L N 1.563 122.885 121.223 0.166 0.000 2.313 313 L HA 0.523 4.863 4.340 -0.000 0.000 0.283 313 L C -1.363 175.347 176.870 -0.267 0.000 1.013 313 L CA -0.664 54.023 54.840 -0.254 0.000 0.816 313 L CB 0.601 42.123 42.059 -0.894 0.000 1.236 313 L HN 0.404 nan 8.230 nan 0.000 0.419 314 F N 5.412 125.291 119.950 -0.118 0.000 2.375 314 F HA 0.433 4.960 4.527 -0.000 0.000 0.361 314 F C 0.270 176.050 175.800 -0.033 0.000 1.117 314 F CA -0.517 57.468 58.000 -0.026 0.000 1.037 314 F CB 1.271 40.273 39.000 0.005 0.000 1.192 314 F HN 0.194 nan 8.300 nan 0.000 0.452 315 I N 3.960 124.642 120.570 0.186 0.000 2.287 315 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 315 I C 0.179 176.587 176.117 0.485 0.000 1.069 315 I CA -0.231 61.231 61.300 0.270 0.000 1.237 315 I CB 0.606 38.782 38.000 0.294 0.000 1.418 315 I HN 0.602 nan 8.210 nan 0.000 0.481 316 T N 2.319 117.153 114.554 0.467 0.000 2.930 316 T HA 0.798 5.148 4.350 -0.000 0.000 0.290 316 T C -1.068 173.972 174.700 0.566 0.000 1.052 316 T CA -0.693 61.658 62.100 0.418 0.000 1.017 316 T CB 2.254 71.223 68.868 0.169 0.000 1.137 316 T HN 0.703 nan 8.240 nan 0.000 0.511 317 W N -0.617 120.704 121.300 0.036 0.000 3.057 317 W HA 0.651 5.311 4.660 -0.000 0.000 0.328 317 W C -1.693 174.741 176.519 -0.142 0.000 1.232 317 W CA -1.293 56.027 57.345 -0.041 0.000 1.187 317 W CB 0.897 30.352 29.460 -0.007 0.000 1.417 317 W HN 0.748 nan 8.180 nan 0.000 0.569 318 R N 2.026 122.412 120.500 -0.190 0.000 2.265 318 R HA 0.139 4.479 4.340 -0.000 0.000 0.314 318 R C 0.957 177.183 176.300 -0.123 0.000 1.053 318 R CA -0.444 55.471 56.100 -0.308 0.000 0.931 318 R CB 1.338 31.401 30.300 -0.394 0.000 1.024 318 R HN 0.735 nan 8.270 nan 0.000 0.457 319 E N 1.555 121.641 120.200 -0.190 0.000 2.208 319 E HA -0.268 4.082 4.350 -0.000 0.000 0.202 319 E C 1.027 177.651 176.600 0.040 0.000 1.014 319 E CA 1.837 58.218 56.400 -0.032 0.000 0.819 319 E CB 0.110 29.763 29.700 -0.079 0.000 0.735 319 E HN 0.629 nan 8.360 nan 0.000 0.469 320 D N -0.578 119.810 120.400 -0.020 0.000 2.378 320 D HA -0.151 4.489 4.640 -0.000 0.000 0.227 320 D C 1.363 177.654 176.300 -0.014 0.000 1.012 320 D CA 0.771 54.761 54.000 -0.017 0.000 0.905 320 D CB -0.044 40.732 40.800 -0.041 0.000 0.895 320 D HN 0.275 nan 8.370 nan 0.000 0.532 321 M N -0.604 119.002 119.600 0.010 0.000 2.306 321 M HA 0.278 4.758 4.480 -0.000 0.000 0.292 321 M C 1.910 178.230 176.300 0.032 0.000 1.018 321 M CA 0.138 55.424 55.300 -0.024 0.000 1.007 321 M CB 1.212 33.732 32.600 -0.132 0.000 1.510 321 M HN 0.064 nan 8.290 nan 0.000 0.537 322 G N 2.890 111.792 108.800 0.170 0.000 2.503 322 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.221 322 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.221 322 G C -0.568 174.279 174.900 -0.087 0.000 1.131 322 G CA 0.886 46.039 45.100 0.088 0.000 0.756 322 G HN 0.335 nan 8.290 nan 0.000 0.572 323 P HA -0.039 nan 4.420 nan 0.000 0.216 323 P C 2.114 179.366 177.300 -0.080 0.000 1.153 323 P CA 1.919 64.988 63.100 -0.052 0.000 0.848 323 P CB -0.192 31.496 31.700 -0.021 0.000 0.787 324 A N 0.477 123.252 122.820 -0.074 0.000 1.902 324 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 324 A C 2.391 179.901 177.584 -0.124 0.000 1.181 324 A CA 1.521 53.513 52.037 -0.075 0.000 0.623 324 A CB -1.567 17.394 19.000 -0.065 0.000 0.818 324 A HN 0.167 nan 8.150 nan 0.000 0.443 325 L N -1.366 119.744 121.223 -0.188 0.000 2.492 325 L HA 0.033 4.373 4.340 -0.000 0.000 0.223 325 L C 2.379 179.020 176.870 -0.382 0.000 1.132 325 L CA 0.615 55.281 54.840 -0.291 0.000 0.850 325 L CB -0.412 41.458 42.059 -0.316 0.000 0.966 325 L HN 0.453 nan 8.230 nan 0.000 0.454 326 R N 1.581 121.893 120.500 -0.314 0.000 2.136 326 R HA -0.202 4.137 4.340 -0.000 0.000 0.242 326 R C -0.420 175.735 176.300 -0.242 0.000 1.131 326 R CA 2.501 58.434 56.100 -0.279 0.000 0.937 326 R CB -1.312 28.887 30.300 -0.169 0.000 0.863 326 R HN 0.213 nan 8.270 nan 0.000 0.435 327 P HA -0.202 nan 4.420 nan 0.000 0.216 327 P C 1.605 178.780 177.300 -0.208 0.000 1.153 327 P CA 1.393 64.417 63.100 -0.128 0.000 0.848 327 P CB -0.152 31.515 31.700 -0.054 0.000 0.787 328 L N -0.548 120.435 121.223 -0.400 0.000 1.976 328 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 328 L C 2.831 179.206 176.870 -0.826 0.000 1.071 328 L CA 1.572 55.980 54.840 -0.718 0.000 0.746 328 L CB -0.745 40.793 42.059 -0.868 0.000 0.890 328 L HN -0.187 nan 8.230 nan 0.000 0.432 329 I N -0.686 119.462 120.570 -0.705 0.000 2.113 329 I HA -0.400 3.770 4.170 -0.000 0.000 0.242 329 I C 2.582 178.566 176.117 -0.222 0.000 1.064 329 I CA 1.698 62.712 61.300 -0.477 0.000 1.320 329 I CB -0.566 37.127 38.000 -0.511 0.000 1.028 329 I HN 0.243 nan 8.210 nan 0.000 0.406 330 S N 0.651 116.236 115.700 -0.192 0.000 2.374 330 S HA -0.261 4.209 4.470 -0.000 0.000 0.227 330 S C 2.245 176.851 174.600 0.009 0.000 1.037 330 S CA 1.461 59.625 58.200 -0.060 0.000 1.024 330 S CB -0.555 62.610 63.200 -0.059 0.000 0.861 330 S HN 0.586 nan 8.310 nan 0.000 0.456 331 A N 1.776 124.578 122.820 -0.031 0.000 1.859 331 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 331 A C 1.890 179.598 177.584 0.208 0.000 1.198 331 A CA 1.668 53.764 52.037 0.098 0.000 0.629 331 A CB -1.153 17.930 19.000 0.139 0.000 0.830 331 A HN 0.613 nan 8.150 nan 0.000 0.446 332 W N 0.011 121.319 121.300 0.014 0.000 2.315 332 W HA -0.182 4.478 4.660 -0.000 0.000 0.323 332 W C 2.465 178.989 176.519 0.007 0.000 1.233 332 W CA 1.342 58.643 57.345 -0.075 0.000 1.267 332 W CB -1.624 27.721 29.460 -0.192 0.000 1.160 332 W HN 0.199 nan 8.180 nan 0.000 0.474 333 V N 0.538 120.607 119.914 0.258 0.000 2.282 333 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 333 V C 2.255 178.451 176.094 0.169 0.000 1.057 333 V CA 2.430 64.838 62.300 0.180 0.000 1.032 333 V CB -1.117 30.789 31.823 0.138 0.000 0.645 333 V HN 0.160 nan 8.190 nan 0.000 0.447 334 D N 0.165 120.666 120.400 0.168 0.000 2.092 334 D HA -0.158 4.482 4.640 -0.000 0.000 0.193 334 D C 2.172 178.593 176.300 0.202 0.000 0.994 334 D CA 1.887 55.981 54.000 0.157 0.000 0.828 334 D CB -0.024 40.862 40.800 0.143 0.000 0.963 334 D HN 0.275 nan 8.370 nan 0.000 0.450 335 V N 1.047 121.140 119.914 0.299 0.000 2.233 335 V HA -0.329 3.790 4.120 -0.000 0.000 0.252 335 V C 2.892 179.185 176.094 0.332 0.000 1.063 335 V CA 1.882 64.441 62.300 0.432 0.000 1.032 335 V CB -0.852 31.248 31.823 0.462 0.000 0.645 335 V HN 0.123 nan 8.190 nan 0.000 0.446 336 V N -0.961 119.103 119.914 0.250 0.000 2.252 336 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 336 V C 2.545 178.736 176.094 0.161 0.000 1.056 336 V CA 2.439 64.863 62.300 0.207 0.000 1.022 336 V CB -1.091 30.839 31.823 0.179 0.000 0.641 336 V HN 0.697 nan 8.190 nan 0.000 0.445 337 C N 0.079 119.456 119.300 0.129 0.000 2.391 337 C HA -0.208 4.251 4.460 -0.000 0.000 0.276 337 C C 2.943 177.971 174.990 0.063 0.000 1.217 337 C CA 1.912 60.973 59.018 0.072 0.000 1.766 337 C CB -1.450 26.326 27.740 0.059 0.000 2.046 337 C HN 0.721 nan 8.230 nan 0.000 0.475 338 T N 0.142 114.748 114.554 0.087 0.000 2.852 338 T HA -0.080 4.270 4.350 -0.000 0.000 0.256 338 T C 1.983 176.742 174.700 0.099 0.000 1.038 338 T CA 1.548 63.676 62.100 0.046 0.000 1.141 338 T CB -0.382 68.453 68.868 -0.054 0.000 0.869 338 T HN 0.535 nan 8.240 nan 0.000 0.439 339 S N 2.509 118.326 115.700 0.195 0.000 2.365 339 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 339 S C 2.174 176.857 174.600 0.139 0.000 1.039 339 S CA 1.602 59.937 58.200 0.224 0.000 1.033 339 S CB -0.681 62.688 63.200 0.282 0.000 0.887 339 S HN 0.710 nan 8.310 nan 0.000 0.447 340 I N -0.090 120.546 120.570 0.110 0.000 2.623 340 I HA -0.077 4.093 4.170 -0.000 0.000 0.261 340 I C 1.668 177.810 176.117 0.041 0.000 1.204 340 I CA 1.115 62.454 61.300 0.064 0.000 1.444 340 I CB -0.548 37.478 38.000 0.043 0.000 1.094 340 I HN 0.072 nan 8.210 nan 0.000 0.451 341 L N 0.146 121.398 121.223 0.049 0.000 2.313 341 L HA 0.044 4.384 4.340 -0.000 0.000 0.214 341 L C 2.280 179.175 176.870 0.042 0.000 1.119 341 L CA 1.342 56.200 54.840 0.031 0.000 0.809 341 L CB -0.601 41.473 42.059 0.024 0.000 0.933 341 L HN 0.292 nan 8.230 nan 0.000 0.449 342 S N -1.281 114.461 115.700 0.071 0.000 2.503 342 S HA 0.216 4.686 4.470 -0.000 0.000 0.217 342 S C 0.801 175.433 174.600 0.053 0.000 0.999 342 S CA -0.389 57.859 58.200 0.080 0.000 0.914 342 S CB -0.031 63.245 63.200 0.127 0.000 0.782 342 S HN 0.157 nan 8.310 nan 0.000 0.520 343 L N 3.946 125.193 121.223 0.040 0.000 2.559 343 L HA 0.077 4.417 4.340 -0.000 0.000 0.282 343 L C -1.828 175.046 176.870 0.006 0.000 1.232 343 L CA -1.039 53.811 54.840 0.017 0.000 0.885 343 L CB -0.358 41.702 42.059 0.002 0.000 1.131 343 L HN 0.104 nan 8.230 nan 0.000 0.498 344 P HA -0.013 nan 4.420 nan 0.000 0.268 344 P C -0.492 176.800 177.300 -0.013 0.000 1.204 344 P CA -0.444 62.653 63.100 -0.005 0.000 0.768 344 P CB 0.671 32.367 31.700 -0.007 0.000 0.842 345 E N 2.021 122.214 120.200 -0.013 0.000 2.924 345 E HA -0.127 4.223 4.350 -0.000 0.000 0.236 345 E C -0.560 176.027 176.600 -0.022 0.000 1.028 345 E CA 0.964 57.354 56.400 -0.018 0.000 0.952 345 E CB -0.427 29.264 29.700 -0.015 0.000 0.918 345 E HN 0.247 nan 8.360 nan 0.000 0.536 346 E N 5.175 125.358 120.200 -0.028 0.000 2.460 346 E HA 0.302 4.651 4.350 -0.000 0.000 0.249 346 E C -2.216 174.363 176.600 -0.035 0.000 0.962 346 E CA -2.050 54.331 56.400 -0.031 0.000 0.787 346 E CB 1.175 30.854 29.700 -0.036 0.000 1.341 346 E HN 0.326 nan 8.360 nan 0.000 0.407 347 P HA -0.208 nan 4.420 nan 0.000 0.217 347 P C 0.217 177.496 177.300 -0.035 0.000 1.148 347 P CA 1.339 64.419 63.100 -0.033 0.000 0.828 347 P CB 0.177 31.860 31.700 -0.027 0.000 0.783 348 K N -1.400 118.981 120.400 -0.031 0.000 2.446 348 K HA 0.132 4.452 4.320 -0.000 0.000 0.203 348 K C 0.668 177.249 176.600 -0.032 0.000 1.027 348 K CA -0.368 55.902 56.287 -0.028 0.000 1.166 348 K CB 0.339 32.827 32.500 -0.020 0.000 0.869 348 K HN -0.024 nan 8.250 nan 0.000 0.504 349 R N 1.815 122.289 120.500 -0.043 0.000 2.441 349 R HA 0.211 4.551 4.340 -0.000 0.000 0.284 349 R C -0.770 175.493 176.300 -0.062 0.000 1.070 349 R CA -0.342 55.727 56.100 -0.052 0.000 1.047 349 R CB 0.682 30.946 30.300 -0.060 0.000 1.016 349 R HN 0.171 nan 8.270 nan 0.000 0.477 350 R N 5.036 125.504 120.500 -0.053 0.000 2.625 350 R HA 0.289 4.629 4.340 -0.000 0.000 0.286 350 R C -1.199 175.066 176.300 -0.058 0.000 1.406 350 R CA -0.529 55.524 56.100 -0.078 0.000 1.052 350 R CB 1.267 31.566 30.300 -0.003 0.000 1.203 350 R HN 0.460 nan 8.270 nan 0.000 0.502 351 L N 2.419 123.554 121.223 -0.146 0.000 2.325 351 L HA 0.569 4.908 4.340 -0.000 0.000 0.278 351 L C -1.162 175.585 176.870 -0.205 0.000 1.023 351 L CA -0.787 54.016 54.840 -0.062 0.000 0.811 351 L CB 1.473 43.513 42.059 -0.031 0.000 1.249 351 L HN 0.510 nan 8.230 nan 0.000 0.431 352 W N 5.313 126.609 121.300 -0.007 0.000 2.529 352 W HA 0.492 5.152 4.660 -0.000 0.000 0.321 352 W C -0.627 175.814 176.519 -0.130 0.000 1.047 352 W CA -0.336 56.936 57.345 -0.122 0.000 1.216 352 W CB 1.469 30.881 29.460 -0.081 0.000 1.357 352 W HN 0.147 nan 8.180 nan 0.000 0.489 353 L N 4.571 125.765 121.223 -0.049 0.000 2.316 353 L HA 0.496 4.836 4.340 -0.000 0.000 0.280 353 L C -1.572 175.224 176.870 -0.123 0.000 1.006 353 L CA -0.801 54.036 54.840 -0.004 0.000 0.836 353 L CB 0.504 42.561 42.059 -0.003 0.000 1.221 353 L HN 0.321 nan 8.230 nan 0.000 0.418 354 F N 5.897 125.948 119.950 0.168 0.000 2.334 354 F HA 0.414 4.941 4.527 -0.000 0.000 0.367 354 F C 0.421 176.305 175.800 0.139 0.000 1.115 354 F CA -0.368 57.721 58.000 0.147 0.000 1.116 354 F CB 1.056 40.102 39.000 0.076 0.000 1.230 354 F HN 0.254 nan 8.300 nan 0.000 0.484 355 I N 4.579 125.316 120.570 0.279 0.000 2.412 355 I HA 0.118 4.288 4.170 -0.000 0.000 0.279 355 I C 0.757 177.015 176.117 0.235 0.000 1.063 355 I CA -0.542 60.900 61.300 0.238 0.000 1.193 355 I CB 0.757 38.871 38.000 0.189 0.000 1.370 355 I HN 0.545 nan 8.210 nan 0.000 0.479 356 D N 4.121 124.668 120.400 0.246 0.000 2.154 356 D HA -0.264 4.376 4.640 -0.000 0.000 0.190 356 D C 0.558 176.953 176.300 0.159 0.000 1.003 356 D CA 1.747 55.866 54.000 0.197 0.000 0.849 356 D CB 0.244 41.147 40.800 0.172 0.000 0.942 356 D HN 0.376 nan 8.370 nan 0.000 0.446 357 E N -0.698 119.602 120.200 0.168 0.000 2.437 357 E HA 0.233 4.583 4.350 -0.000 0.000 0.238 357 E C 0.534 177.208 176.600 0.123 0.000 0.969 357 E CA -0.494 55.983 56.400 0.128 0.000 0.759 357 E CB 0.909 30.685 29.700 0.127 0.000 1.283 357 E HN 0.052 nan 8.360 nan 0.000 0.416 358 L N 3.362 124.647 121.223 0.103 0.000 2.021 358 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 358 L C 1.741 178.697 176.870 0.143 0.000 1.074 358 L CA 2.783 57.690 54.840 0.112 0.000 0.760 358 L CB -0.591 41.496 42.059 0.046 0.000 0.889 358 L HN 0.561 nan 8.230 nan 0.000 0.433 359 A N -2.079 120.810 122.820 0.115 0.000 2.172 359 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 359 A C 2.217 179.853 177.584 0.087 0.000 1.154 359 A CA 1.521 53.632 52.037 0.123 0.000 0.701 359 A CB -0.637 18.413 19.000 0.084 0.000 0.789 359 A HN 0.567 nan 8.150 nan 0.000 0.465 360 S N -0.545 115.205 115.700 0.083 0.000 2.528 360 S HA 0.255 4.725 4.470 -0.000 0.000 0.219 360 S C 0.784 175.394 174.600 0.017 0.000 0.985 360 S CA -0.050 58.185 58.200 0.058 0.000 0.914 360 S CB -0.202 63.053 63.200 0.093 0.000 0.776 360 S HN 0.478 nan 8.310 nan 0.000 0.526 361 L N 1.040 122.283 121.223 0.033 0.000 2.642 361 L HA 0.371 4.711 4.340 -0.000 0.000 0.229 361 L C 1.023 177.876 176.870 -0.030 0.000 1.179 361 L CA -0.720 54.116 54.840 -0.007 0.000 0.834 361 L CB 0.259 42.344 42.059 0.043 0.000 1.515 361 L HN 0.133 nan 8.230 nan 0.000 0.512 362 E N 0.101 120.268 120.200 -0.054 0.000 2.849 362 E HA 0.104 4.454 4.350 -0.000 0.000 0.257 362 E C -0.582 175.906 176.600 -0.187 0.000 1.306 362 E CA -0.654 55.683 56.400 -0.106 0.000 1.058 362 E CB 0.541 30.194 29.700 -0.078 0.000 1.249 362 E HN 0.260 nan 8.360 nan 0.000 0.638 363 K N 1.928 122.148 120.400 -0.299 0.000 2.127 363 K HA 0.146 4.466 4.320 -0.000 0.000 0.261 363 K C -0.322 176.215 176.600 -0.105 0.000 1.129 363 K CA -0.132 55.838 56.287 -0.529 0.000 0.993 363 K CB -0.562 31.654 32.500 -0.473 0.000 1.410 363 K HN 0.306 nan 8.250 nan 0.000 0.380 364 L N 3.166 124.458 121.223 0.114 0.000 2.540 364 L HA -0.058 4.282 4.340 -0.000 0.000 0.276 364 L C 1.405 178.370 176.870 0.157 0.000 1.212 364 L CA -0.185 54.750 54.840 0.158 0.000 0.893 364 L CB 0.638 42.815 42.059 0.198 0.000 1.138 364 L HN 0.707 nan 8.230 nan 0.000 0.491 365 A N 2.217 125.090 122.820 0.087 0.000 2.208 365 A HA 0.007 4.327 4.320 -0.000 0.000 0.209 365 A C 1.802 179.415 177.584 0.049 0.000 1.161 365 A CA 0.933 53.007 52.037 0.062 0.000 0.782 365 A CB -0.032 18.986 19.000 0.030 0.000 0.816 365 A HN 0.793 nan 8.150 nan 0.000 0.477 366 S N -1.147 114.585 115.700 0.054 0.000 2.593 366 S HA 0.183 4.653 4.470 -0.000 0.000 0.235 366 S C 1.494 176.104 174.600 0.016 0.000 1.059 366 S CA -0.074 58.141 58.200 0.026 0.000 0.953 366 S CB -0.244 62.967 63.200 0.019 0.000 0.897 366 S HN 0.434 nan 8.310 nan 0.000 0.507 367 L N 2.133 123.377 121.223 0.036 0.000 2.064 367 L HA -0.312 4.027 4.340 -0.000 0.000 0.216 367 L C 2.595 179.433 176.870 -0.053 0.000 1.077 367 L CA 1.912 56.750 54.840 -0.002 0.000 0.766 367 L CB -0.730 41.351 42.059 0.036 0.000 0.890 367 L HN 0.429 nan 8.230 nan 0.000 0.435 368 A N 0.038 122.842 122.820 -0.026 0.000 1.848 368 A HA -0.326 3.994 4.320 -0.000 0.000 0.217 368 A C 1.884 179.435 177.584 -0.056 0.000 1.220 368 A CA 2.303 54.316 52.037 -0.040 0.000 0.645 368 A CB -1.063 17.931 19.000 -0.010 0.000 0.842 368 A HN 0.573 nan 8.150 nan 0.000 0.451 369 D N -0.128 120.249 120.400 -0.039 0.000 2.133 369 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 369 D C 2.249 178.514 176.300 -0.058 0.000 0.997 369 D CA 1.570 55.546 54.000 -0.040 0.000 0.840 369 D CB -0.405 40.377 40.800 -0.029 0.000 0.947 369 D HN 0.476 nan 8.370 nan 0.000 0.452 370 A N 1.332 124.108 122.820 -0.073 0.000 1.892 370 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 370 A C 2.343 179.825 177.584 -0.169 0.000 1.188 370 A CA 1.151 53.127 52.037 -0.101 0.000 0.631 370 A CB -0.923 18.014 19.000 -0.106 0.000 0.822 370 A HN 0.229 nan 8.150 nan 0.000 0.447 371 L N -0.624 120.441 121.223 -0.264 0.000 2.622 371 L HA -0.046 4.294 4.340 -0.000 0.000 0.233 371 L C 1.806 178.652 176.870 -0.040 0.000 1.156 371 L CA 1.173 55.774 54.840 -0.399 0.000 0.866 371 L CB -0.230 41.531 42.059 -0.496 0.000 0.980 371 L HN 0.401 nan 8.230 nan 0.000 0.448 372 T N -2.206 112.323 114.554 -0.042 0.000 2.987 372 T HA 0.082 4.431 4.350 -0.000 0.000 0.248 372 T C 1.376 176.068 174.700 -0.014 0.000 0.997 372 T CA 0.138 62.230 62.100 -0.013 0.000 1.013 372 T CB 0.418 69.271 68.868 -0.025 0.000 1.077 372 T HN 0.209 nan 8.240 nan 0.000 0.483 373 K N 0.936 121.323 120.400 -0.022 0.000 2.447 373 K HA 0.324 4.644 4.320 -0.000 0.000 0.205 373 K C 1.534 178.119 176.600 -0.026 0.000 1.059 373 K CA -0.093 56.179 56.287 -0.025 0.000 1.065 373 K CB 0.911 33.395 32.500 -0.027 0.000 0.885 373 K HN 0.187 nan 8.250 nan 0.000 0.545 374 G N 1.311 110.098 108.800 -0.022 0.000 3.181 374 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 374 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 374 G C 1.153 176.027 174.900 -0.043 0.000 1.182 374 G CA -0.209 44.874 45.100 -0.029 0.000 0.791 374 G HN 0.096 nan 8.290 nan 0.000 0.537 375 R N 0.526 120.996 120.500 -0.050 0.000 2.066 375 R HA -0.001 4.338 4.340 -0.000 0.000 0.232 375 R C 2.238 178.492 176.300 -0.077 0.000 1.131 375 R CA 1.285 57.335 56.100 -0.083 0.000 0.955 375 R CB -0.186 30.065 30.300 -0.082 0.000 0.851 375 R HN 0.258 nan 8.270 nan 0.000 0.432 376 K N -0.242 120.124 120.400 -0.057 0.000 2.063 376 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 376 K C 1.776 178.346 176.600 -0.051 0.000 1.048 376 K CA 1.603 57.860 56.287 -0.049 0.000 0.928 376 K CB -0.102 32.376 32.500 -0.037 0.000 0.713 376 K HN 0.224 nan 8.250 nan 0.000 0.442 377 A N -0.120 122.670 122.820 -0.049 0.000 2.206 377 A HA 0.134 4.454 4.320 -0.000 0.000 0.211 377 A C 1.154 178.694 177.584 -0.073 0.000 1.158 377 A CA 0.931 52.938 52.037 -0.049 0.000 0.761 377 A CB -0.300 18.680 19.000 -0.035 0.000 0.801 377 A HN 0.483 nan 8.150 nan 0.000 0.473 378 G N -0.921 107.823 108.800 -0.094 0.000 2.198 378 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.257 378 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.257 378 G C 0.033 174.819 174.900 -0.191 0.000 1.042 378 G CA 0.280 45.297 45.100 -0.137 0.000 0.791 378 G HN 0.684 nan 8.290 nan 0.000 0.502 379 L N -0.186 120.945 121.223 -0.154 0.000 2.380 379 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 379 L C 0.445 177.179 176.870 -0.228 0.000 1.138 379 L CA -0.482 54.258 54.840 -0.166 0.000 0.832 379 L CB 0.466 42.475 42.059 -0.083 0.000 1.124 379 L HN 0.293 nan 8.230 nan 0.000 0.454 380 R N 4.288 124.548 120.500 -0.400 0.000 2.422 380 R HA 0.459 4.799 4.340 -0.000 0.000 0.307 380 R C -1.191 174.932 176.300 -0.295 0.000 1.004 380 R CA -0.629 55.147 56.100 -0.540 0.000 0.882 380 R CB 1.993 31.378 30.300 -1.526 0.000 1.164 380 R HN 0.387 nan 8.270 nan 0.000 0.489 381 V N 3.302 123.201 119.914 -0.024 0.000 2.539 381 V HA 0.489 4.609 4.120 -0.000 0.000 0.292 381 V C -0.053 176.057 176.094 0.027 0.000 1.045 381 V CA -0.767 61.449 62.300 -0.141 0.000 0.945 381 V CB 1.986 33.553 31.823 -0.427 0.000 0.993 381 V HN 0.382 nan 8.190 nan 0.000 0.464 382 V N 3.028 122.971 119.914 0.048 0.000 2.623 382 V HA 0.870 4.990 4.120 -0.000 0.000 0.304 382 V C -0.059 176.196 176.094 0.269 0.000 1.054 382 V CA -0.248 62.175 62.300 0.206 0.000 0.882 382 V CB 1.735 33.606 31.823 0.081 0.000 1.002 382 V HN 1.113 nan 8.190 nan 0.000 0.424 383 A N 3.383 126.398 122.820 0.325 0.000 2.498 383 A HA 0.986 5.306 4.320 -0.000 0.000 0.298 383 A C -0.149 177.474 177.584 0.065 0.000 1.075 383 A CA -0.196 51.950 52.037 0.182 0.000 0.714 383 A CB 2.083 21.165 19.000 0.138 0.000 1.299 383 A HN 1.130 nan 8.150 nan 0.000 0.407 384 G N 0.320 109.159 108.800 0.066 0.000 2.448 384 G HA2 0.616 4.576 3.960 -0.000 0.000 0.324 384 G HA3 0.616 4.576 3.960 -0.000 0.000 0.324 384 G C -1.253 173.649 174.900 0.004 0.000 1.203 384 G CA -0.362 44.760 45.100 0.037 0.000 0.954 384 G HN 0.498 nan 8.290 nan 0.000 0.480 385 L N 0.047 121.260 121.223 -0.016 0.000 2.409 385 L HA 0.533 4.873 4.340 -0.000 0.000 0.255 385 L C 0.579 177.447 176.870 -0.003 0.000 1.027 385 L CA -0.593 54.236 54.840 -0.018 0.000 0.834 385 L CB 1.763 43.787 42.059 -0.059 0.000 1.426 385 L HN 0.751 nan 8.230 nan 0.000 0.411 386 Q N -0.248 119.554 119.800 0.003 0.000 2.563 386 Q HA 0.298 4.638 4.340 -0.000 0.000 0.186 386 Q C -0.359 175.641 176.000 0.001 0.000 0.805 386 Q CA 0.056 55.864 55.803 0.007 0.000 0.828 386 Q CB 1.123 29.870 28.738 0.016 0.000 1.157 386 Q HN 0.724 nan 8.270 nan 0.000 0.619 387 S N 0.545 116.247 115.700 0.004 0.000 2.565 387 S HA 0.162 4.632 4.470 -0.000 0.000 0.290 387 S C 0.711 175.310 174.600 -0.002 0.000 1.150 387 S CA -0.043 58.158 58.200 0.001 0.000 1.058 387 S CB 1.668 64.871 63.200 0.006 0.000 1.032 387 S HN 0.557 nan 8.310 nan 0.000 0.510 388 T N -1.073 113.477 114.554 -0.006 0.000 2.995 388 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 388 T C 1.892 176.595 174.700 0.004 0.000 1.091 388 T CA 1.035 63.130 62.100 -0.008 0.000 1.128 388 T CB -0.491 68.369 68.868 -0.013 0.000 0.891 388 T HN 0.598 nan 8.240 nan 0.000 0.492 389 S N 1.688 117.392 115.700 0.007 0.000 2.423 389 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 389 S C 2.090 176.701 174.600 0.019 0.000 1.014 389 S CA 0.546 58.753 58.200 0.011 0.000 0.965 389 S CB -0.546 62.659 63.200 0.008 0.000 0.785 389 S HN 0.641 nan 8.310 nan 0.000 0.495 390 Q N 0.631 120.444 119.800 0.022 0.000 1.967 390 Q HA -0.008 4.332 4.340 -0.000 0.000 0.202 390 Q C 2.271 178.304 176.000 0.055 0.000 0.985 390 Q CA 1.479 57.301 55.803 0.032 0.000 0.839 390 Q CB -0.489 28.268 28.738 0.032 0.000 0.906 390 Q HN 0.463 nan 8.270 nan 0.000 0.423 391 L N 1.495 122.757 121.223 0.066 0.000 2.042 391 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 391 L C 1.507 178.465 176.870 0.147 0.000 1.076 391 L CA 1.951 56.867 54.840 0.127 0.000 0.749 391 L CB -0.532 41.563 42.059 0.061 0.000 0.893 391 L HN 0.140 nan 8.230 nan 0.000 0.432 392 D N -0.483 119.964 120.400 0.078 0.000 2.092 392 D HA -0.235 4.404 4.640 -0.000 0.000 0.193 392 D C 1.884 178.218 176.300 0.056 0.000 0.994 392 D CA 1.615 55.655 54.000 0.066 0.000 0.828 392 D CB -0.316 40.504 40.800 0.033 0.000 0.963 392 D HN 0.461 nan 8.370 nan 0.000 0.450 393 D N -0.505 119.917 120.400 0.036 0.000 2.190 393 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 393 D C 1.864 178.161 176.300 -0.005 0.000 0.992 393 D CA 0.734 54.742 54.000 0.013 0.000 0.854 393 D CB 0.206 41.011 40.800 0.008 0.000 0.936 393 D HN 0.021 nan 8.370 nan 0.000 0.462 394 V N -0.803 119.113 119.914 0.003 0.000 2.300 394 V HA -0.135 3.985 4.120 -0.000 0.000 0.241 394 V C 1.650 177.629 176.094 -0.192 0.000 1.034 394 V CA 1.253 63.495 62.300 -0.096 0.000 1.021 394 V CB -0.607 31.152 31.823 -0.106 0.000 0.662 394 V HN 0.224 nan 8.190 nan 0.000 0.458 395 Y N 0.676 120.973 120.300 -0.005 0.000 2.490 395 Y HA 0.460 5.010 4.550 -0.000 0.000 0.285 395 Y C 1.330 177.223 175.900 -0.011 0.000 1.117 395 Y CA 0.758 58.855 58.100 -0.005 0.000 1.262 395 Y CB 0.032 38.493 38.460 0.001 0.000 1.043 395 Y HN 0.392 nan 8.280 nan 0.000 0.553 396 G N -0.774 108.089 108.800 0.105 0.000 2.784 396 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 396 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 396 G C 0.326 175.265 174.900 0.065 0.000 1.156 396 G CA -0.526 44.608 45.100 0.056 0.000 0.757 396 G HN -0.052 nan 8.290 nan 0.000 0.642 397 V N 2.392 122.328 119.914 0.036 0.000 2.278 397 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 397 V C 3.045 179.154 176.094 0.025 0.000 1.062 397 V CA 2.705 65.022 62.300 0.027 0.000 1.038 397 V CB -0.490 31.341 31.823 0.013 0.000 0.646 397 V HN 0.772 nan 8.190 nan 0.000 0.447 398 K N -0.236 120.178 120.400 0.023 0.000 2.002 398 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 398 K C 2.164 178.780 176.600 0.027 0.000 1.048 398 K CA 1.737 58.035 56.287 0.019 0.000 0.930 398 K CB -0.435 32.073 32.500 0.014 0.000 0.714 398 K HN 0.505 nan 8.250 nan 0.000 0.438 399 E N 0.574 120.804 120.200 0.049 0.000 2.049 399 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 399 E C 1.895 178.516 176.600 0.035 0.000 1.007 399 E CA 1.724 58.165 56.400 0.068 0.000 0.809 399 E CB -0.244 29.546 29.700 0.150 0.000 0.749 399 E HN 0.325 nan 8.360 nan 0.000 0.450 400 A N 0.596 123.451 122.820 0.059 0.000 1.892 400 A HA -0.371 3.949 4.320 -0.000 0.000 0.218 400 A C 2.194 179.761 177.584 -0.027 0.000 1.188 400 A CA 2.223 54.261 52.037 0.002 0.000 0.631 400 A CB -0.909 18.119 19.000 0.046 0.000 0.822 400 A HN 0.442 nan 8.150 nan 0.000 0.447 401 Q N -0.907 118.891 119.800 -0.004 0.000 2.014 401 Q HA -0.217 4.123 4.340 -0.000 0.000 0.207 401 Q C 2.116 178.114 176.000 -0.003 0.000 0.993 401 Q CA 2.720 58.520 55.803 -0.005 0.000 0.850 401 Q CB -0.471 28.268 28.738 0.002 0.000 0.916 401 Q HN 0.633 nan 8.270 nan 0.000 0.417 402 T N 1.663 116.217 114.554 -0.001 0.000 2.635 402 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 402 T C 1.766 176.471 174.700 0.009 0.000 1.040 402 T CA 1.363 63.466 62.100 0.005 0.000 1.156 402 T CB -0.463 68.406 68.868 0.002 0.000 0.863 402 T HN 0.207 nan 8.240 nan 0.000 0.430 403 L N 1.297 122.502 121.223 -0.029 0.000 1.956 403 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 403 L C 2.618 179.541 176.870 0.088 0.000 1.073 403 L CA 1.828 56.648 54.840 -0.034 0.000 0.762 403 L CB -0.560 41.361 42.059 -0.230 0.000 0.889 403 L HN 0.134 nan 8.230 nan 0.000 0.433 404 R N -0.900 119.595 120.500 -0.008 0.000 2.103 404 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 404 R C 2.152 178.522 176.300 0.115 0.000 1.142 404 R CA 1.371 57.453 56.100 -0.030 0.000 0.960 404 R CB -0.787 29.460 30.300 -0.089 0.000 0.858 404 R HN 0.539 nan 8.270 nan 0.000 0.439 405 A N 0.631 123.503 122.820 0.085 0.000 2.024 405 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 405 A C 2.095 179.764 177.584 0.141 0.000 1.164 405 A CA 1.707 53.799 52.037 0.091 0.000 0.643 405 A CB -0.343 18.686 19.000 0.049 0.000 0.806 405 A HN 0.240 nan 8.150 nan 0.000 0.451 406 S N -0.991 114.825 115.700 0.192 0.000 2.481 406 S HA 0.099 4.569 4.470 -0.000 0.000 0.231 406 S C -0.075 174.632 174.600 0.179 0.000 0.996 406 S CA 0.188 58.477 58.200 0.148 0.000 0.942 406 S CB -0.290 62.942 63.200 0.053 0.000 0.768 406 S HN 0.445 nan 8.310 nan 0.000 0.520 407 F N 2.308 122.302 119.950 0.073 0.000 2.421 407 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 407 F C 1.396 177.235 175.800 0.065 0.000 1.115 407 F CA -1.032 57.034 58.000 0.109 0.000 1.160 407 F CB 0.628 39.675 39.000 0.079 0.000 1.123 407 F HN -0.172 nan 8.300 nan 0.000 0.508 408 R N 0.640 121.246 120.500 0.175 0.000 2.153 408 R HA 0.076 4.415 4.340 -0.000 0.000 0.218 408 R C 0.175 176.557 176.300 0.137 0.000 1.072 408 R CA 0.322 56.490 56.100 0.114 0.000 0.990 408 R CB -0.358 29.965 30.300 0.038 0.000 0.889 408 R HN 0.393 nan 8.270 nan 0.000 0.452 409 S N 1.192 116.998 115.700 0.177 0.000 2.475 409 S HA 0.498 4.968 4.470 -0.000 0.000 0.298 409 S C -0.582 174.095 174.600 0.129 0.000 1.119 409 S CA -0.725 57.574 58.200 0.165 0.000 1.085 409 S CB 1.897 65.243 63.200 0.244 0.000 1.028 409 S HN 0.059 nan 8.310 nan 0.000 0.489 410 L N 3.283 124.531 121.223 0.041 0.000 2.370 410 L HA 0.842 5.182 4.340 -0.000 0.000 0.266 410 L C -1.471 175.374 176.870 -0.041 0.000 1.002 410 L CA -0.545 54.302 54.840 0.012 0.000 0.818 410 L CB 1.942 44.008 42.059 0.012 0.000 1.325 410 L HN 0.463 nan 8.230 nan 0.000 0.418 411 V N 4.544 124.447 119.914 -0.017 0.000 2.569 411 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 411 V C -0.909 175.200 176.094 0.024 0.000 1.044 411 V CA -0.616 61.677 62.300 -0.012 0.000 0.874 411 V CB 2.145 33.960 31.823 -0.015 0.000 1.002 411 V HN 0.532 nan 8.190 nan 0.000 0.424 412 V N 6.660 126.614 119.914 0.067 0.000 2.333 412 V HA 0.336 4.456 4.120 -0.000 0.000 0.274 412 V C 0.775 176.943 176.094 0.123 0.000 1.028 412 V CA -0.108 62.244 62.300 0.086 0.000 0.851 412 V CB 1.486 33.361 31.823 0.086 0.000 1.000 412 V HN 0.771 nan 8.190 nan 0.000 0.456 413 L N 3.884 125.153 121.223 0.075 0.000 2.591 413 L HA 0.409 4.749 4.340 -0.000 0.000 0.228 413 L C 1.137 178.050 176.870 0.071 0.000 1.133 413 L CA 0.757 55.636 54.840 0.065 0.000 0.880 413 L CB -0.077 42.007 42.059 0.042 0.000 1.033 413 L HN 1.015 nan 8.230 nan 0.000 0.450 414 G N -0.549 108.301 108.800 0.083 0.000 2.879 414 G HA2 0.035 3.995 3.960 -0.000 0.000 0.686 414 G HA3 0.035 3.995 3.960 -0.000 0.000 0.686 414 G C -0.271 174.654 174.900 0.043 0.000 1.115 414 G CA -0.497 44.647 45.100 0.073 0.000 0.770 414 G HN 0.410 nan 8.290 nan 0.000 0.601 415 G N -0.389 108.431 108.800 0.033 0.000 3.176 415 G HA2 0.891 4.851 3.960 -0.000 0.000 0.272 415 G HA3 0.891 4.851 3.960 -0.000 0.000 0.272 415 G C 0.214 175.124 174.900 0.017 0.000 1.349 415 G CA 0.638 45.751 45.100 0.021 0.000 0.953 415 G HN 1.838 nan 8.290 nan 0.000 0.559 416 S N -1.308 114.399 115.700 0.012 0.000 2.576 416 S HA 0.151 4.621 4.470 -0.000 0.000 0.276 416 S C 1.799 176.404 174.600 0.007 0.000 1.339 416 S CA -0.110 58.096 58.200 0.010 0.000 1.039 416 S CB 0.637 63.842 63.200 0.008 0.000 0.902 416 S HN 0.624 nan 8.310 nan 0.000 0.516 417 R N 1.571 122.075 120.500 0.007 0.000 2.236 417 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 417 R C 1.812 178.113 176.300 0.003 0.000 1.036 417 R CA 1.347 57.449 56.100 0.004 0.000 1.001 417 R CB -1.204 29.099 30.300 0.004 0.000 0.896 417 R HN 0.716 nan 8.270 nan 0.000 0.464 418 T N -1.969 112.587 114.554 0.003 0.000 3.072 418 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 418 T C 0.609 175.309 174.700 0.002 0.000 1.127 418 T CA 0.705 62.806 62.100 0.002 0.000 1.107 418 T CB 0.022 68.892 68.868 0.003 0.000 0.910 418 T HN 0.097 nan 8.240 nan 0.000 0.513 419 D N 2.107 122.508 120.400 0.001 0.000 2.634 419 D HA 0.260 4.900 4.640 -0.000 0.000 0.318 419 D C -1.602 174.697 176.300 -0.003 0.000 1.226 419 D CA -2.330 51.670 54.000 -0.000 0.000 0.899 419 D CB 1.496 42.297 40.800 0.001 0.000 1.025 419 D HN 0.132 nan 8.370 nan 0.000 0.501 420 P HA -0.160 nan 4.420 nan 0.000 0.219 420 P C 1.237 178.532 177.300 -0.010 0.000 1.146 420 P CA 0.718 63.814 63.100 -0.007 0.000 0.808 420 P CB 0.734 32.431 31.700 -0.006 0.000 0.779 421 K N -0.335 120.061 120.400 -0.008 0.000 2.002 421 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 421 K C 2.271 178.863 176.600 -0.012 0.000 1.048 421 K CA 1.941 58.222 56.287 -0.010 0.000 0.930 421 K CB -0.942 31.554 32.500 -0.007 0.000 0.714 421 K HN 0.139 nan 8.250 nan 0.000 0.438 422 T N 1.953 116.500 114.554 -0.011 0.000 2.684 422 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 422 T C 1.598 176.287 174.700 -0.018 0.000 1.036 422 T CA 1.433 63.525 62.100 -0.013 0.000 1.148 422 T CB -0.374 68.489 68.868 -0.009 0.000 0.863 422 T HN 0.215 nan 8.240 nan 0.000 0.436 423 N N 1.053 119.743 118.700 -0.016 0.000 2.137 423 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 423 N C 1.958 177.448 175.510 -0.032 0.000 1.017 423 N CA 1.438 54.475 53.050 -0.022 0.000 0.859 423 N CB -0.370 38.107 38.487 -0.016 0.000 1.002 423 N HN 0.499 nan 8.380 nan 0.000 0.428 424 E N 1.454 121.638 120.200 -0.027 0.000 2.106 424 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 424 E C 1.081 177.661 176.600 -0.034 0.000 0.984 424 E CA 1.284 57.666 56.400 -0.031 0.000 0.806 424 E CB -0.161 29.525 29.700 -0.023 0.000 0.750 424 E HN 0.175 nan 8.360 nan 0.000 0.458 425 D N -0.134 120.248 120.400 -0.030 0.000 2.084 425 D HA -0.165 4.475 4.640 -0.000 0.000 0.194 425 D C 1.864 178.141 176.300 -0.038 0.000 0.990 425 D CA 1.349 55.331 54.000 -0.030 0.000 0.826 425 D CB -0.218 40.567 40.800 -0.026 0.000 0.971 425 D HN 0.271 nan 8.370 nan 0.000 0.453 426 M N 0.430 120.005 119.600 -0.043 0.000 2.159 426 M HA -0.094 4.386 4.480 -0.000 0.000 0.263 426 M C 2.351 178.603 176.300 -0.080 0.000 1.063 426 M CA 0.817 56.085 55.300 -0.054 0.000 1.110 426 M CB -1.183 31.388 32.600 -0.049 0.000 1.374 426 M HN -0.042 nan 8.290 nan 0.000 0.411 427 S N 0.559 116.209 115.700 -0.083 0.000 2.382 427 S HA -0.091 4.379 4.470 -0.000 0.000 0.228 427 S C 1.989 176.537 174.600 -0.086 0.000 1.027 427 S CA 0.902 59.041 58.200 -0.103 0.000 0.991 427 S CB -0.100 63.050 63.200 -0.083 0.000 0.823 427 S HN 0.462 nan 8.310 nan 0.000 0.469 428 L N 0.746 121.931 121.223 -0.062 0.000 2.072 428 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 428 L C 2.590 179.434 176.870 -0.043 0.000 1.079 428 L CA 1.310 56.120 54.840 -0.049 0.000 0.752 428 L CB -0.424 41.612 42.059 -0.037 0.000 0.906 428 L HN 0.354 nan 8.230 nan 0.000 0.436 429 S N -0.038 115.637 115.700 -0.042 0.000 2.368 429 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 429 S C 1.788 176.369 174.600 -0.032 0.000 1.030 429 S CA 0.932 59.114 58.200 -0.030 0.000 0.999 429 S CB -0.253 62.930 63.200 -0.029 0.000 0.844 429 S HN 0.176 nan 8.310 nan 0.000 0.459 430 L N 1.048 122.237 121.223 -0.057 0.000 2.079 430 L HA 0.114 4.454 4.340 -0.000 0.000 0.210 430 L C 1.462 178.307 176.870 -0.041 0.000 1.081 430 L CA 1.667 56.470 54.840 -0.062 0.000 0.752 430 L CB -1.719 40.260 42.059 -0.133 0.000 0.896 430 L HN 0.535 nan 8.230 nan 0.000 0.433 431 G N -1.058 107.711 108.800 -0.051 0.000 2.663 431 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 431 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 431 G C -0.451 174.404 174.900 -0.075 0.000 1.288 431 G CA -0.577 44.498 45.100 -0.042 0.000 0.836 431 G HN 0.157 nan 8.290 nan 0.000 0.584 432 E N -0.444 119.715 120.200 -0.069 0.000 2.303 432 E HA 0.713 5.063 4.350 -0.000 0.000 0.254 432 E C 0.217 176.780 176.600 -0.060 0.000 0.979 432 E CA -0.597 55.731 56.400 -0.121 0.000 0.843 432 E CB 1.621 31.267 29.700 -0.090 0.000 1.245 432 E HN 0.836 nan 8.360 nan 0.000 0.413 433 H N -1.573 117.395 119.070 -0.170 0.000 3.008 433 H HA 0.529 5.085 4.556 -0.000 0.000 0.354 433 H C -1.260 173.864 175.328 -0.340 0.000 1.252 433 H CA -0.983 54.907 56.048 -0.263 0.000 1.117 433 H CB 2.012 31.601 29.762 -0.288 0.000 1.857 433 H HN 0.382 nan 8.280 nan 0.000 0.547 434 E N 2.098 122.085 120.200 -0.354 0.000 2.191 434 E HA 0.440 4.790 4.350 -0.000 0.000 0.263 434 E C -1.437 174.798 176.600 -0.608 0.000 0.881 434 E CA -0.775 55.414 56.400 -0.351 0.000 0.757 434 E CB 2.282 31.830 29.700 -0.253 0.000 1.147 434 E HN 0.415 nan 8.360 nan 0.000 0.414 435 V N 3.070 122.677 119.914 -0.511 0.000 3.158 435 V HA 0.445 4.565 4.120 -0.000 0.000 0.315 435 V C -0.625 175.364 176.094 -0.174 0.000 1.148 435 V CA -0.796 61.221 62.300 -0.473 0.000 1.042 435 V CB 2.201 33.544 31.823 -0.800 0.000 1.101 435 V HN 0.693 nan 8.190 nan 0.000 0.448 436 E N 0.732 120.917 120.200 -0.026 0.000 2.191 436 E HA 0.549 4.899 4.350 -0.000 0.000 0.263 436 E C -0.610 176.053 176.600 0.105 0.000 0.881 436 E CA -0.478 55.940 56.400 0.029 0.000 0.757 436 E CB 2.125 31.845 29.700 0.033 0.000 1.147 436 E HN 0.527 nan 8.360 nan 0.000 0.414 437 R N 1.742 122.291 120.500 0.082 0.000 2.917 437 R HA 0.207 4.547 4.340 -0.000 0.000 0.220 437 R C -0.318 176.027 176.300 0.075 0.000 1.485 437 R CA -0.389 55.777 56.100 0.110 0.000 1.037 437 R CB 0.390 30.752 30.300 0.103 0.000 1.929 437 R HN 0.694 nan 8.270 nan 0.000 0.526 456 R N 1.350 121.846 120.500 -0.007 0.000 2.387 456 R HA 0.770 5.110 4.340 -0.000 0.000 0.314 456 R C -0.318 175.963 176.300 -0.032 0.000 0.958 456 R CA -0.503 55.579 56.100 -0.029 0.000 0.846 456 R CB 1.981 32.259 30.300 -0.038 0.000 1.147 456 R HN -0.046 nan 8.270 nan 0.000 0.447 457 V N 2.572 122.457 119.914 -0.049 0.000 2.876 457 V HA 0.530 4.650 4.120 -0.000 0.000 0.312 457 V C -0.488 175.580 176.094 -0.043 0.000 1.085 457 V CA -0.996 61.285 62.300 -0.031 0.000 0.945 457 V CB 2.343 34.167 31.823 0.001 0.000 1.017 457 V HN 0.704 nan 8.190 nan 0.000 0.428 458 R N 2.893 123.379 120.500 -0.023 0.000 2.387 458 R HA 0.684 5.024 4.340 -0.000 0.000 0.314 458 R C -0.942 175.351 176.300 -0.012 0.000 0.958 458 R CA -0.330 55.759 56.100 -0.017 0.000 0.846 458 R CB 1.349 31.628 30.300 -0.036 0.000 1.147 458 R HN 0.975 nan 8.270 nan 0.000 0.447 459 E N 3.310 123.492 120.200 -0.031 0.000 2.407 459 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 459 E C -1.119 175.324 176.600 -0.261 0.000 1.012 459 E CA -1.259 55.078 56.400 -0.106 0.000 0.800 459 E CB 1.031 30.706 29.700 -0.040 0.000 1.276 459 E HN 0.243 nan 8.360 nan 0.000 0.452 460 R N 1.122 121.521 120.500 -0.167 0.000 2.489 460 R HA 0.084 4.423 4.340 -0.000 0.000 0.287 460 R C 0.901 177.067 176.300 -0.223 0.000 1.053 460 R CA -0.079 55.916 56.100 -0.174 0.000 1.036 460 R CB 0.711 30.954 30.300 -0.095 0.000 0.966 460 R HN 0.522 nan 8.270 nan 0.000 0.432 461 V N 2.891 122.644 119.914 -0.269 0.000 2.295 461 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 461 V C 0.981 177.108 176.094 0.055 0.000 1.049 461 V CA 1.502 63.685 62.300 -0.196 0.000 1.024 461 V CB 0.050 31.797 31.823 -0.127 0.000 0.648 461 V HN 0.410 nan 8.190 nan 0.000 0.447 462 V N 0.543 120.411 119.914 -0.077 0.000 2.487 462 V HA 0.377 4.497 4.120 -0.000 0.000 0.298 462 V C -0.120 175.902 176.094 -0.121 0.000 1.028 462 V CA -0.453 61.763 62.300 -0.141 0.000 0.860 462 V CB 1.710 33.258 31.823 -0.458 0.000 0.991 462 V HN 0.250 nan 8.190 nan 0.000 0.427 463 M N 5.313 124.869 119.600 -0.074 0.000 2.241 463 M HA 0.257 4.737 4.480 -0.000 0.000 0.335 463 M C -1.492 174.769 176.300 -0.066 0.000 1.122 463 M CA -1.374 53.892 55.300 -0.057 0.000 1.164 463 M CB 1.535 34.116 32.600 -0.032 0.000 1.459 463 M HN 0.364 nan 8.290 nan 0.000 0.461 464 P HA -0.091 nan 4.420 nan 0.000 0.218 464 P C 0.716 178.001 177.300 -0.026 0.000 1.149 464 P CA 1.325 64.400 63.100 -0.043 0.000 0.817 464 P CB -0.004 31.676 31.700 -0.033 0.000 0.785 465 A N 0.409 123.217 122.820 -0.019 0.000 1.877 465 A HA -0.249 4.070 4.320 -0.000 0.000 0.216 465 A C 2.120 179.708 177.584 0.006 0.000 1.186 465 A CA 1.699 53.732 52.037 -0.006 0.000 0.620 465 A CB -1.281 17.714 19.000 -0.008 0.000 0.822 465 A HN 0.186 nan 8.150 nan 0.000 0.443 466 E N -0.267 119.936 120.200 0.005 0.000 2.118 466 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 466 E C 1.857 178.506 176.600 0.082 0.000 0.992 466 E CA 1.370 57.797 56.400 0.045 0.000 0.804 466 E CB -0.372 29.357 29.700 0.047 0.000 0.741 466 E HN 0.743 nan 8.360 nan 0.000 0.458 467 I N 0.885 121.474 120.570 0.033 0.000 2.439 467 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 467 I C 2.494 178.643 176.117 0.052 0.000 1.139 467 I CA 0.708 62.041 61.300 0.054 0.000 1.438 467 I CB -0.235 37.754 38.000 -0.019 0.000 1.085 467 I HN 0.046 nan 8.210 nan 0.000 0.427 468 A N 0.576 123.412 122.820 0.028 0.000 1.970 468 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 468 A C 1.803 179.404 177.584 0.028 0.000 1.170 468 A CA 1.085 53.135 52.037 0.023 0.000 0.645 468 A CB -0.373 18.633 19.000 0.011 0.000 0.816 468 A HN 0.382 nan 8.150 nan 0.000 0.447 469 N N 0.100 118.820 118.700 0.034 0.000 2.314 469 N HA 0.171 4.911 4.740 -0.000 0.000 0.200 469 N C -0.214 175.320 175.510 0.040 0.000 1.135 469 N CA 0.025 53.093 53.050 0.031 0.000 0.835 469 N CB 0.168 38.669 38.487 0.024 0.000 0.989 469 N HN 0.411 nan 8.380 nan 0.000 0.478 470 L N 2.596 123.853 121.223 0.057 0.000 2.456 470 L HA 0.178 4.518 4.340 -0.000 0.000 0.272 470 L C -1.615 175.273 176.870 0.030 0.000 1.189 470 L CA -1.037 53.836 54.840 0.056 0.000 0.846 470 L CB 0.452 42.563 42.059 0.087 0.000 1.111 470 L HN -0.060 nan 8.230 nan 0.000 0.475 471 P HA 0.201 nan 4.420 nan 0.000 0.281 471 P C -1.097 176.207 177.300 0.007 0.000 1.264 471 P CA -0.745 62.360 63.100 0.008 0.000 0.824 471 P CB 0.964 32.665 31.700 0.000 0.000 1.092 472 D N 0.613 121.018 120.400 0.007 0.000 2.346 472 D HA 0.027 4.667 4.640 -0.000 0.000 0.236 472 D C 1.073 177.375 176.300 0.004 0.000 1.259 472 D CA 0.192 54.197 54.000 0.008 0.000 0.898 472 D CB 0.120 40.925 40.800 0.009 0.000 1.178 472 D HN 0.421 nan 8.370 nan 0.000 0.457 473 L N -0.615 120.613 121.223 0.007 0.000 3.781 473 L HA -0.256 4.084 4.340 -0.000 0.000 0.426 473 L C -0.226 176.639 176.870 -0.008 0.000 1.197 473 L CA 0.615 55.459 54.840 0.006 0.000 0.907 473 L CB -2.158 39.906 42.059 0.009 0.000 1.812 473 L HN 0.287 nan 8.230 nan 0.000 0.956 474 T N -0.555 113.989 114.554 -0.018 0.000 2.921 474 T HA 0.819 5.169 4.350 -0.000 0.000 0.297 474 T C -0.151 174.512 174.700 -0.060 0.000 1.013 474 T CA 0.002 62.069 62.100 -0.055 0.000 0.990 474 T CB 2.269 71.097 68.868 -0.067 0.000 1.023 474 T HN 0.409 nan 8.240 nan 0.000 0.447 475 A N 2.333 125.089 122.820 -0.107 0.000 2.574 475 A HA 0.743 5.063 4.320 -0.000 0.000 0.297 475 A C -1.961 175.537 177.584 -0.144 0.000 1.062 475 A CA -0.856 51.140 52.037 -0.068 0.000 0.686 475 A CB 1.039 20.038 19.000 -0.001 0.000 1.285 475 A HN 0.742 nan 8.150 nan 0.000 0.403 476 Y N 0.555 120.849 120.300 -0.010 0.000 2.304 476 Y HA 0.472 5.022 4.550 -0.000 0.000 0.328 476 Y C 0.302 176.170 175.900 -0.052 0.000 1.123 476 Y CA -0.041 58.051 58.100 -0.013 0.000 1.218 476 Y CB 1.635 40.093 38.460 -0.002 0.000 1.207 476 Y HN 0.371 nan 8.280 nan 0.000 0.495 477 V N 2.663 122.607 119.914 0.050 0.000 2.378 477 V HA 0.618 4.738 4.120 -0.000 0.000 0.288 477 V C 0.162 176.186 176.094 -0.116 0.000 1.016 477 V CA -0.812 61.419 62.300 -0.115 0.000 0.840 477 V CB 1.526 33.213 31.823 -0.226 0.000 0.994 477 V HN 0.937 nan 8.190 nan 0.000 0.431 478 G N 4.064 112.774 108.800 -0.149 0.000 3.114 478 G HA2 0.568 4.528 3.960 -0.000 0.000 0.320 478 G HA3 0.568 4.528 3.960 -0.000 0.000 0.320 478 G C -0.710 174.155 174.900 -0.059 0.000 1.453 478 G CA -0.290 44.780 45.100 -0.050 0.000 1.084 478 G HN 0.350 nan 8.290 nan 0.000 0.516 479 F N 1.825 121.819 119.950 0.073 0.000 2.496 479 F HA 0.451 4.978 4.527 -0.000 0.000 0.344 479 F C 1.352 177.182 175.800 0.051 0.000 1.155 479 F CA 0.126 58.165 58.000 0.065 0.000 1.302 479 F CB 0.983 40.017 39.000 0.057 0.000 1.159 479 F HN 0.562 nan 8.300 nan 0.000 0.595 480 A N 1.961 124.950 122.820 0.281 0.000 2.492 480 A HA 0.455 4.775 4.320 -0.000 0.000 0.236 480 A C 0.892 178.546 177.584 0.116 0.000 1.078 480 A CA 0.367 52.494 52.037 0.150 0.000 0.773 480 A CB -0.889 18.173 19.000 0.104 0.000 1.023 480 A HN 1.684 nan 8.150 nan 0.000 0.504 481 G N 0.359 109.203 108.800 0.073 0.000 2.642 481 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.231 481 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.231 481 G C 0.003 174.939 174.900 0.059 0.000 1.338 481 G CA 0.282 45.414 45.100 0.052 0.000 0.883 481 G HN 1.815 nan 8.290 nan 0.000 0.570 482 N N 1.526 120.253 118.700 0.045 0.000 2.739 482 N HA 0.387 5.127 4.740 -0.000 0.000 0.266 482 N C 0.228 175.767 175.510 0.048 0.000 1.168 482 N CA 0.085 53.161 53.050 0.043 0.000 1.055 482 N CB -0.135 38.370 38.487 0.029 0.000 1.393 482 N HN 0.629 nan 8.380 nan 0.000 0.514 483 R N 2.366 122.908 120.500 0.070 0.000 2.698 483 R HA 0.504 4.844 4.340 -0.000 0.000 0.275 483 R C -2.591 173.761 176.300 0.086 0.000 1.001 483 R CA -1.528 54.622 56.100 0.083 0.000 0.896 483 R CB 1.047 31.430 30.300 0.139 0.000 1.218 483 R HN 0.365 nan 8.270 nan 0.000 0.462 484 P HA 0.317 nan 4.420 nan 0.000 0.277 484 P C -0.042 177.321 177.300 0.106 0.000 1.276 484 P CA -0.420 62.721 63.100 0.069 0.000 0.788 484 P CB 0.705 32.430 31.700 0.042 0.000 1.114 485 I N -3.708 116.928 120.570 0.110 0.000 2.982 485 I HA 0.879 5.049 4.170 -0.000 0.000 0.312 485 I C -0.907 175.296 176.117 0.142 0.000 1.041 485 I CA -1.431 59.943 61.300 0.124 0.000 1.053 485 I CB 2.042 40.120 38.000 0.130 0.000 1.248 485 I HN 0.424 nan 8.210 nan 0.000 0.471 486 A N 2.681 125.585 122.820 0.139 0.000 2.589 486 A HA 0.502 4.822 4.320 -0.000 0.000 0.296 486 A C -1.294 176.308 177.584 0.030 0.000 1.062 486 A CA -0.816 51.287 52.037 0.109 0.000 0.686 486 A CB 1.697 20.747 19.000 0.083 0.000 1.282 486 A HN 0.787 nan 8.150 nan 0.000 0.404 487 K N 1.964 122.320 120.400 -0.073 0.000 2.262 487 K HA 0.591 4.911 4.320 -0.000 0.000 0.282 487 K C -1.225 175.270 176.600 -0.175 0.000 1.066 487 K CA -0.155 55.926 56.287 -0.343 0.000 0.901 487 K CB 0.671 32.870 32.500 -0.501 0.000 1.089 487 K HN 0.479 nan 8.250 nan 0.000 0.476 488 V N 6.150 125.974 119.914 -0.151 0.000 2.864 488 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 488 V C -2.294 173.760 176.094 -0.068 0.000 1.073 488 V CA -1.931 60.326 62.300 -0.070 0.000 0.956 488 V CB 1.885 33.697 31.823 -0.018 0.000 1.023 488 V HN 0.836 nan 8.190 nan 0.000 0.435 489 P HA 0.369 nan 4.420 nan 0.000 0.290 489 P C -1.089 176.211 177.300 -0.000 0.000 1.276 489 P CA -0.376 62.709 63.100 -0.024 0.000 0.808 489 P CB 1.586 33.277 31.700 -0.015 0.000 0.966 490 L N 3.540 124.765 121.223 0.004 0.000 2.276 490 L HA 0.262 4.602 4.340 -0.000 0.000 0.286 490 L C 1.023 177.910 176.870 0.028 0.000 1.061 490 L CA -0.450 54.405 54.840 0.024 0.000 0.807 490 L CB 0.733 42.807 42.059 0.025 0.000 1.177 490 L HN 0.501 nan 8.230 nan 0.000 0.429 491 E N 4.813 125.038 120.200 0.041 0.000 2.204 491 E HA 0.372 4.721 4.350 -0.000 0.000 0.276 491 E C -0.728 175.903 176.600 0.051 0.000 0.974 491 E CA -0.777 55.645 56.400 0.036 0.000 0.815 491 E CB 1.782 31.500 29.700 0.030 0.000 1.119 491 E HN 0.498 nan 8.360 nan 0.000 0.393 492 I N 3.096 123.689 120.570 0.038 0.000 2.243 492 I HA 0.106 4.276 4.170 -0.000 0.000 0.297 492 I C 0.375 176.512 176.117 0.032 0.000 1.161 492 I CA -0.483 60.849 61.300 0.053 0.000 1.298 492 I CB -0.311 37.711 38.000 0.035 0.000 1.475 492 I HN 0.509 nan 8.210 nan 0.000 0.561 493 K N 4.533 124.962 120.400 0.049 0.000 2.295 493 K HA 0.142 4.462 4.320 -0.000 0.000 0.270 493 K C -0.030 176.450 176.600 -0.200 0.000 1.011 493 K CA -0.275 55.937 56.287 -0.124 0.000 0.953 493 K CB 0.772 33.140 32.500 -0.220 0.000 0.956 493 K HN 0.341 nan 8.250 nan 0.000 0.477 494 Q N 2.725 122.305 119.800 -0.365 0.000 2.243 494 Q HA 0.295 4.635 4.340 -0.000 0.000 0.252 494 Q C -1.148 174.487 176.000 -0.607 0.000 0.909 494 Q CA -0.167 55.462 55.803 -0.289 0.000 0.922 494 Q CB 1.026 29.657 28.738 -0.178 0.000 1.215 494 Q HN 0.465 nan 8.270 nan 0.000 0.427 495 F N 0.409 120.234 119.950 -0.209 0.000 2.518 495 F HA 0.516 5.043 4.527 -0.000 0.000 0.323 495 F C 0.354 176.008 175.800 -0.244 0.000 1.129 495 F CA -1.012 56.806 58.000 -0.302 0.000 0.920 495 F CB 1.478 40.198 39.000 -0.466 0.000 1.160 495 F HN 0.475 nan 8.300 nan 0.000 0.440 496 A N 2.698 125.467 122.820 -0.086 0.000 2.371 496 A HA 0.332 4.651 4.320 -0.000 0.000 0.257 496 A C -0.049 177.480 177.584 -0.092 0.000 1.089 496 A CA -0.657 51.332 52.037 -0.080 0.000 0.794 496 A CB 0.079 19.033 19.000 -0.077 0.000 1.029 496 A HN 0.877 nan 8.150 nan 0.000 0.488 497 N N 1.257 119.911 118.700 -0.077 0.000 2.415 497 N HA 0.179 4.919 4.740 -0.000 0.000 0.250 497 N C 0.335 175.802 175.510 -0.071 0.000 1.127 497 N CA -0.235 52.765 53.050 -0.083 0.000 0.945 497 N CB 0.583 39.031 38.487 -0.064 0.000 1.196 497 N HN 0.654 nan 8.380 nan 0.000 0.499 498 R N 1.758 122.210 120.500 -0.079 0.000 2.752 498 R HA 0.208 4.548 4.340 -0.000 0.000 0.279 498 R C -0.370 175.895 176.300 -0.058 0.000 1.212 498 R CA -0.108 55.959 56.100 -0.055 0.000 1.169 498 R CB -0.048 30.229 30.300 -0.037 0.000 1.286 498 R HN 0.544 nan 8.270 nan 0.000 0.564 499 Q N 0.267 120.028 119.800 -0.066 0.000 2.920 499 Q HA 0.140 4.480 4.340 -0.000 0.000 0.255 499 Q C -3.034 172.928 176.000 -0.065 0.000 0.976 499 Q CA -1.461 54.300 55.803 -0.069 0.000 0.862 499 Q CB 2.214 30.895 28.738 -0.095 0.000 1.952 499 Q HN 0.119 nan 8.270 nan 0.000 0.489 500 P HA 0.124 nan 4.420 nan 0.000 0.281 500 P C -0.328 176.959 177.300 -0.021 0.000 1.252 500 P CA 0.192 63.271 63.100 -0.035 0.000 0.778 500 P CB 1.366 33.043 31.700 -0.038 0.000 0.895 501 A N 4.202 127.025 122.820 0.004 0.000 1.940 501 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 501 A C 0.681 178.349 177.584 0.140 0.000 1.176 501 A CA 1.333 53.387 52.037 0.028 0.000 0.631 501 A CB -0.666 18.342 19.000 0.013 0.000 0.814 501 A HN 0.575 nan 8.150 nan 0.000 0.446 502 F N -1.622 118.303 119.950 -0.043 0.000 2.576 502 F HA 0.577 5.104 4.527 -0.000 0.000 0.313 502 F C -1.100 174.692 175.800 -0.013 0.000 1.078 502 F CA -1.810 56.178 58.000 -0.019 0.000 0.921 502 F CB 2.203 41.197 39.000 -0.010 0.000 1.232 502 F HN -0.221 nan 8.300 nan 0.000 0.459 503 V N 4.295 123.794 119.914 -0.691 0.000 2.380 503 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 503 V C -0.608 174.955 176.094 -0.885 0.000 1.011 503 V CA -0.869 61.080 62.300 -0.585 0.000 0.826 503 V CB 0.940 32.597 31.823 -0.276 0.000 1.040 503 V HN 0.708 nan 8.190 nan 0.000 0.441 504 E N 3.321 122.984 120.200 -0.895 0.000 2.924 504 E HA 0.159 4.509 4.350 -0.000 0.000 0.236 504 E C 0.730 177.164 176.600 -0.277 0.000 1.028 504 E CA 0.887 56.943 56.400 -0.573 0.000 0.952 504 E CB 0.229 29.802 29.700 -0.210 0.000 0.918 504 E HN 0.780 nan 8.360 nan 0.000 0.536 505 G N 0.000 108.694 108.800 -0.176 0.000 5.446 505 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 505 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925