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 1ee5_1_A DATA FIRST_RESID 90 DATA SEQUENCE PQMTQQLNSD DMQEQLSATV KFRQILSREH RPPIDVVIQA GVVPRLVEFM DATA SEQUENCE RENQPEMLQL EAAWALTNIA SGTSAQTKVV VDADAVPLFI QLLYTGSVEV DATA SEQUENCE KEQAIWALGN VAGDSTDYRD YVLQCNAMEP ILGLFNSNKP SLIRTATWTL DATA SEQUENCE SNLCRGKKPQ PDWSVVSQAL PTLAKLIYSM DTETLVDACW AISYLSDGPQ DATA SEQUENCE EAIQAVIDVR IPKRLVELLS HESTLVQTPA LRAVGNIVTG NDLQTQVVIN DATA SEQUENCE AGVLPALRLL LSSPKENIKK EACWTISNIT AGNTEQIQAV IDANLIPPLV DATA SEQUENCE KLLEVAEDKT KKEACWAISN ASSGGLQRPD IIRYLVSQGC IKPLCDLLEI DATA SEQUENCE ADNRIIEVTL DALENILKMG EADKEARGLN INENADFIEK AGGMEKIFNC DATA SEQUENCE QQNENDKIYE KAYKIIETYF G 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 90 P HA 0.000 nan 4.420 nan 0.000 0.216 90 P C 0.000 177.334 177.300 0.057 0.000 1.155 90 P CA 0.000 63.134 63.100 0.057 0.000 0.800 90 P CB 0.000 31.721 31.700 0.035 0.000 0.726 91 Q N 0.571 120.396 119.800 0.042 0.000 2.187 91 Q HA 0.173 4.514 4.340 0.000 0.000 0.199 91 Q C 2.130 178.169 176.000 0.065 0.000 0.957 91 Q CA 1.926 57.752 55.803 0.038 0.000 0.857 91 Q CB -0.472 28.276 28.738 0.018 0.000 0.929 91 Q HN 0.481 nan 8.270 nan 0.000 0.453 92 M N 0.036 119.696 119.600 0.099 0.000 2.115 92 M HA -0.077 4.403 4.480 0.000 0.000 0.261 92 M C 2.481 178.932 176.300 0.252 0.000 1.079 92 M CA 1.939 57.358 55.300 0.198 0.000 1.143 92 M CB -0.310 32.444 32.600 0.256 0.000 1.332 92 M HN 0.410 nan 8.290 nan 0.000 0.421 93 T N 0.834 115.557 114.554 0.283 0.000 2.778 93 T HA -0.244 4.106 4.350 0.000 0.000 0.269 93 T C 2.208 176.966 174.700 0.097 0.000 1.050 93 T CA 2.064 64.282 62.100 0.197 0.000 1.137 93 T CB -0.689 68.289 68.868 0.183 0.000 0.860 93 T HN 0.627 nan 8.240 nan 0.000 0.468 94 Q N 1.313 121.164 119.800 0.085 0.000 2.050 94 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 94 Q C 2.050 178.076 176.000 0.044 0.000 0.980 94 Q CA 1.741 57.576 55.803 0.053 0.000 0.840 94 Q CB -1.009 27.755 28.738 0.042 0.000 0.898 94 Q HN 0.730 nan 8.270 nan 0.000 0.424 95 Q N -0.746 119.082 119.800 0.047 0.000 2.364 95 Q HA 0.055 4.396 4.340 0.000 0.000 0.207 95 Q C 2.073 178.079 176.000 0.010 0.000 0.970 95 Q CA 0.963 56.781 55.803 0.025 0.000 0.888 95 Q CB 0.024 28.776 28.738 0.024 0.000 0.951 95 Q HN 0.537 nan 8.270 nan 0.000 0.469 96 L N 0.909 122.146 121.223 0.023 0.000 2.127 96 L HA -0.062 4.278 4.340 0.000 0.000 0.203 96 L C 2.019 178.950 176.870 0.101 0.000 1.080 96 L CA 2.095 56.945 54.840 0.016 0.000 0.768 96 L CB -0.674 41.346 42.059 -0.065 0.000 0.924 96 L HN 0.215 nan 8.230 nan 0.000 0.444 97 N N -0.708 118.032 118.700 0.066 0.000 2.383 97 N HA 0.309 5.049 4.740 0.000 0.000 0.192 97 N C 0.949 176.492 175.510 0.056 0.000 1.141 97 N CA 0.698 53.788 53.050 0.066 0.000 0.851 97 N CB -0.759 37.749 38.487 0.035 0.000 0.976 97 N HN 0.658 nan 8.380 nan 0.000 0.465 98 S N -0.964 114.764 115.700 0.047 0.000 2.614 98 S HA 0.479 4.949 4.470 0.000 0.000 0.265 98 S C 1.203 175.823 174.600 0.033 0.000 1.303 98 S CA 0.320 58.537 58.200 0.029 0.000 1.000 98 S CB -0.046 63.162 63.200 0.014 0.000 0.935 98 S HN 0.656 nan 8.310 nan 0.000 0.551 99 D N -0.690 119.723 120.400 0.022 0.000 2.349 99 D HA 0.433 5.073 4.640 0.000 0.000 0.214 99 D C 0.574 176.878 176.300 0.007 0.000 1.063 99 D CA 0.630 54.643 54.000 0.021 0.000 0.847 99 D CB -0.959 39.851 40.800 0.018 0.000 0.933 99 D HN 1.016 nan 8.370 nan 0.000 0.513 100 D N -1.144 119.255 120.400 -0.003 0.000 2.383 100 D HA 0.543 5.183 4.640 0.000 0.000 0.252 100 D C 1.704 177.985 176.300 -0.031 0.000 1.166 100 D CA 0.278 54.270 54.000 -0.013 0.000 0.879 100 D CB 0.343 41.135 40.800 -0.013 0.000 1.164 100 D HN 0.578 nan 8.370 nan 0.000 0.462 101 M N 0.783 120.364 119.600 -0.032 0.000 2.117 101 M HA 0.200 4.680 4.480 0.000 0.000 0.262 101 M C 2.553 178.813 176.300 -0.067 0.000 1.065 101 M CA 2.725 57.995 55.300 -0.051 0.000 1.114 101 M CB -1.710 30.870 32.600 -0.034 0.000 1.361 101 M HN 0.989 nan 8.290 nan 0.000 0.408 102 Q N 0.199 119.970 119.800 -0.048 0.000 2.311 102 Q HA 0.195 4.535 4.340 0.000 0.000 0.203 102 Q C 1.805 177.773 176.000 -0.053 0.000 0.954 102 Q CA 2.263 58.038 55.803 -0.047 0.000 0.885 102 Q CB -1.497 27.223 28.738 -0.031 0.000 0.963 102 Q HN 1.005 nan 8.270 nan 0.000 0.471 103 E N -0.357 119.813 120.200 -0.050 0.000 2.122 103 E HA -0.008 4.342 4.350 0.000 0.000 0.190 103 E C 2.205 178.763 176.600 -0.069 0.000 0.977 103 E CA 1.521 57.895 56.400 -0.043 0.000 0.820 103 E CB -1.069 28.616 29.700 -0.025 0.000 0.770 103 E HN 0.910 nan 8.360 nan 0.000 0.462 104 Q N -0.400 119.331 119.800 -0.115 0.000 2.291 104 Q HA 0.326 4.666 4.340 0.000 0.000 0.205 104 Q C 2.587 178.425 176.000 -0.269 0.000 0.970 104 Q CA 2.239 57.913 55.803 -0.214 0.000 0.876 104 Q CB -1.266 27.280 28.738 -0.321 0.000 0.935 104 Q HN 1.199 nan 8.270 nan 0.000 0.455 105 L N -0.995 120.113 121.223 -0.191 0.000 2.127 105 L HA 0.169 4.509 4.340 0.000 0.000 0.203 105 L C 2.726 179.540 176.870 -0.093 0.000 1.080 105 L CA 2.220 56.966 54.840 -0.157 0.000 0.768 105 L CB -1.273 40.717 42.059 -0.115 0.000 0.924 105 L HN 0.581 nan 8.230 nan 0.000 0.444 106 S N -0.792 114.870 115.700 -0.064 0.000 2.399 106 S HA -0.076 4.395 4.470 0.000 0.000 0.231 106 S C 2.353 176.950 174.600 -0.005 0.000 1.022 106 S CA 1.992 60.172 58.200 -0.033 0.000 0.983 106 S CB -0.382 62.803 63.200 -0.024 0.000 0.803 106 S HN 1.033 nan 8.310 nan 0.000 0.480 107 A N 0.128 122.949 122.820 0.002 0.000 1.968 107 A HA 0.148 4.468 4.320 0.000 0.000 0.217 107 A C 2.382 180.044 177.584 0.130 0.000 1.169 107 A CA 2.021 54.111 52.037 0.088 0.000 0.638 107 A CB -1.741 17.296 19.000 0.060 0.000 0.812 107 A HN 0.646 nan 8.150 nan 0.000 0.446 108 T N -0.894 113.652 114.554 -0.014 0.000 2.737 108 T HA 0.003 4.353 4.350 0.000 0.000 0.265 108 T C 1.931 176.648 174.700 0.028 0.000 1.038 108 T CA 1.930 64.017 62.100 -0.021 0.000 1.144 108 T CB -0.672 68.134 68.868 -0.104 0.000 0.866 108 T HN 0.089 nan 8.240 nan 0.000 0.434 109 V N 1.851 121.755 119.914 -0.017 0.000 2.380 109 V HA -0.143 3.978 4.120 0.000 0.000 0.251 109 V C 3.351 179.414 176.094 -0.052 0.000 1.063 109 V CA 2.608 64.871 62.300 -0.061 0.000 1.055 109 V CB -1.165 30.620 31.823 -0.063 0.000 0.657 109 V HN 0.855 nan 8.190 nan 0.000 0.455 110 K N -0.321 120.094 120.400 0.026 0.000 1.985 110 K HA -0.201 4.120 4.320 0.000 0.000 0.210 110 K C 1.873 178.473 176.600 -0.001 0.000 1.047 110 K CA 2.039 58.329 56.287 0.006 0.000 0.932 110 K CB -1.240 31.282 32.500 0.037 0.000 0.716 110 K HN 0.411 nan 8.250 nan 0.000 0.439 111 F N 0.916 120.821 119.950 -0.075 0.000 2.202 111 F HA -0.073 4.455 4.527 0.000 0.000 0.301 111 F C 2.619 178.357 175.800 -0.105 0.000 1.082 111 F CA 1.546 59.510 58.000 -0.061 0.000 1.313 111 F CB -0.228 38.760 39.000 -0.019 0.000 1.024 111 F HN 0.225 nan 8.300 nan 0.000 0.495 112 R N 0.635 121.143 120.500 0.013 0.000 2.075 112 R HA -0.194 4.146 4.340 0.000 0.000 0.230 112 R C 2.137 178.264 176.300 -0.289 0.000 1.140 112 R CA 1.991 57.963 56.100 -0.213 0.000 0.928 112 R CB -0.504 29.544 30.300 -0.419 0.000 0.834 112 R HN 0.316 nan 8.270 nan 0.000 0.429 113 Q N 0.543 120.177 119.800 -0.277 0.000 2.181 113 Q HA -0.178 4.162 4.340 0.000 0.000 0.205 113 Q C 2.192 178.096 176.000 -0.160 0.000 0.980 113 Q CA 1.923 57.583 55.803 -0.239 0.000 0.862 113 Q CB -0.376 28.247 28.738 -0.191 0.000 0.905 113 Q HN 0.618 nan 8.270 nan 0.000 0.429 114 I N -2.593 117.892 120.570 -0.141 0.000 2.676 114 I HA -0.137 4.033 4.170 0.000 0.000 0.259 114 I C 1.571 177.637 176.117 -0.085 0.000 1.194 114 I CA 1.161 62.387 61.300 -0.123 0.000 1.473 114 I CB -0.134 37.764 38.000 -0.171 0.000 1.096 114 I HN 0.063 nan 8.210 nan 0.000 0.443 115 L N 0.398 121.577 121.223 -0.074 0.000 2.607 115 L HA 0.205 4.545 4.340 0.000 0.000 0.228 115 L C 1.636 178.488 176.870 -0.030 0.000 1.123 115 L CA 0.081 54.903 54.840 -0.030 0.000 0.890 115 L CB 0.068 42.134 42.059 0.012 0.000 1.103 115 L HN 0.103 nan 8.230 nan 0.000 0.468 116 S N -0.114 115.540 115.700 -0.077 0.000 2.597 116 S HA 0.158 4.628 4.470 0.000 0.000 0.224 116 S C 0.997 175.581 174.600 -0.027 0.000 0.955 116 S CA -0.225 57.945 58.200 -0.050 0.000 0.933 116 S CB -0.208 62.903 63.200 -0.148 0.000 0.788 116 S HN 0.451 nan 8.310 nan 0.000 0.488 117 R N 1.322 121.803 120.500 -0.031 0.000 2.438 117 R HA 0.642 4.983 4.340 0.000 0.000 0.287 117 R C 1.183 177.481 176.300 -0.002 0.000 1.077 117 R CA 0.415 56.502 56.100 -0.022 0.000 1.034 117 R CB -1.041 29.240 30.300 -0.030 0.000 0.993 117 R HN 0.460 nan 8.270 nan 0.000 0.459 118 E N 0.377 120.578 120.200 0.002 0.000 2.085 118 E HA -0.108 4.242 4.350 0.000 0.000 0.194 118 E C 1.588 178.193 176.600 0.008 0.000 0.994 118 E CA 2.117 58.523 56.400 0.010 0.000 0.801 118 E CB -1.468 28.238 29.700 0.010 0.000 0.743 118 E HN 1.346 nan 8.360 nan 0.000 0.453 119 H N -1.382 117.689 119.070 0.002 0.000 2.172 119 H HA 0.698 5.255 4.556 0.000 0.000 0.346 119 H C 1.348 176.678 175.328 0.003 0.000 1.901 119 H CA 0.500 56.549 56.048 0.001 0.000 1.403 119 H CB -0.391 29.368 29.762 -0.004 0.000 1.654 119 H HN 0.885 nan 8.280 nan 0.000 0.548 120 R N 2.383 122.884 120.500 0.002 0.000 2.399 120 R HA 0.305 4.645 4.340 0.000 0.000 0.324 120 R C -2.090 174.210 176.300 -0.000 0.000 1.030 120 R CA -0.700 55.402 56.100 0.004 0.000 0.984 120 R CB -1.435 28.867 30.300 0.004 0.000 0.961 120 R HN 0.886 nan 8.270 nan 0.000 0.433 121 P HA 0.153 nan 4.420 nan 0.000 0.276 121 P C -2.297 175.004 177.300 0.000 0.000 1.235 121 P CA -1.397 61.703 63.100 -0.001 0.000 0.772 121 P CB 1.474 33.181 31.700 0.012 0.000 0.871 122 P HA -0.015 nan 4.420 nan 0.000 0.299 122 P C 1.800 179.102 177.300 0.004 0.000 1.515 122 P CA 0.155 63.246 63.100 -0.015 0.000 0.770 122 P CB -1.022 30.652 31.700 -0.044 0.000 1.614 123 I N 0.314 120.897 120.570 0.022 0.000 2.182 123 I HA -0.302 3.869 4.170 0.000 0.000 0.248 123 I C 2.013 178.159 176.117 0.048 0.000 1.073 123 I CA 2.534 63.860 61.300 0.044 0.000 1.335 123 I CB -1.396 36.634 38.000 0.050 0.000 1.031 123 I HN 0.090 nan 8.210 nan 0.000 0.420 124 D N -0.068 120.354 120.400 0.036 0.000 2.234 124 D HA 0.009 4.650 4.640 0.000 0.000 0.205 124 D C 2.292 178.613 176.300 0.035 0.000 0.962 124 D CA 1.518 55.539 54.000 0.036 0.000 0.855 124 D CB 0.104 40.921 40.800 0.028 0.000 0.951 124 D HN 0.507 nan 8.370 nan 0.000 0.500 125 V N 1.050 120.977 119.914 0.022 0.000 2.427 125 V HA -0.178 3.942 4.120 0.000 0.000 0.248 125 V C 2.675 178.792 176.094 0.039 0.000 1.051 125 V CA 0.929 63.237 62.300 0.013 0.000 1.048 125 V CB -0.362 31.450 31.823 -0.019 0.000 0.666 125 V HN 0.041 nan 8.190 nan 0.000 0.456 126 V N -0.080 119.869 119.914 0.058 0.000 2.358 126 V HA -0.214 3.906 4.120 0.000 0.000 0.246 126 V C 2.183 178.374 176.094 0.162 0.000 1.047 126 V CA 1.983 64.373 62.300 0.150 0.000 1.035 126 V CB -0.465 31.468 31.823 0.184 0.000 0.658 126 V HN 0.437 nan 8.190 nan 0.000 0.452 127 I N 0.310 120.944 120.570 0.106 0.000 2.315 127 I HA -0.263 3.908 4.170 0.000 0.000 0.248 127 I C 3.073 179.232 176.117 0.070 0.000 1.117 127 I CA 1.595 62.946 61.300 0.084 0.000 1.404 127 I CB -0.841 37.199 38.000 0.066 0.000 1.071 127 I HN 0.464 nan 8.210 nan 0.000 0.419 128 Q N 0.974 120.812 119.800 0.064 0.000 2.181 128 Q HA -0.164 4.176 4.340 0.000 0.000 0.205 128 Q C 2.326 178.362 176.000 0.059 0.000 0.980 128 Q CA 1.883 57.716 55.803 0.050 0.000 0.862 128 Q CB -1.088 27.673 28.738 0.039 0.000 0.905 128 Q HN 0.660 nan 8.270 nan 0.000 0.429 129 A N -0.818 122.056 122.820 0.091 0.000 2.209 129 A HA 0.424 4.744 4.320 0.000 0.000 0.212 129 A C 2.218 179.849 177.584 0.078 0.000 1.158 129 A CA 1.241 53.342 52.037 0.106 0.000 0.742 129 A CB -0.612 18.507 19.000 0.197 0.000 0.790 129 A HN 1.826 nan 8.150 nan 0.000 0.472 130 G N -0.992 107.844 108.800 0.061 0.000 2.153 130 G HA2 -0.269 3.692 3.960 0.000 0.000 0.252 130 G HA3 -0.269 3.692 3.960 0.000 0.000 0.252 130 G C 0.870 175.773 174.900 0.004 0.000 0.994 130 G CA 0.957 46.074 45.100 0.028 0.000 0.698 130 G HN 1.602 nan 8.290 nan 0.000 0.521 131 V N -1.948 117.973 119.914 0.012 0.000 3.623 131 V HA 0.284 4.404 4.120 0.000 0.000 0.274 131 V C 2.122 178.167 176.094 -0.081 0.000 1.244 131 V CA 1.016 63.273 62.300 -0.070 0.000 1.182 131 V CB -0.174 31.536 31.823 -0.188 0.000 0.925 131 V HN 0.245 nan 8.190 nan 0.000 0.462 132 V N 1.716 121.608 119.914 -0.037 0.000 2.221 132 V HA -0.051 4.069 4.120 0.000 0.000 0.242 132 V C 0.707 176.746 176.094 -0.093 0.000 1.041 132 V CA 2.499 64.778 62.300 -0.036 0.000 0.995 132 V CB -1.568 30.253 31.823 -0.004 0.000 0.635 132 V HN 0.533 nan 8.190 nan 0.000 0.448 133 P HA -0.195 nan 4.420 nan 0.000 0.223 133 P C 1.436 178.591 177.300 -0.241 0.000 1.144 133 P CA 2.227 65.239 63.100 -0.146 0.000 0.783 133 P CB -0.158 31.476 31.700 -0.110 0.000 0.771 134 R N 0.502 120.842 120.500 -0.266 0.000 2.093 134 R HA 0.056 4.396 4.340 0.000 0.000 0.224 134 R C 2.460 178.293 176.300 -0.777 0.000 1.101 134 R CA 1.069 56.893 56.100 -0.460 0.000 0.979 134 R CB -1.882 28.259 30.300 -0.265 0.000 0.877 134 R HN 0.236 nan 8.270 nan 0.000 0.441 135 L N 0.422 121.436 121.223 -0.349 0.000 2.313 135 L HA 0.005 4.346 4.340 0.000 0.000 0.214 135 L C 2.286 179.055 176.870 -0.169 0.000 1.119 135 L CA 0.446 55.209 54.840 -0.128 0.000 0.809 135 L CB 0.105 42.173 42.059 0.016 0.000 0.933 135 L HN 0.165 nan 8.230 nan 0.000 0.449 136 V N 0.214 119.985 119.914 -0.238 0.000 2.548 136 V HA -0.193 3.928 4.120 0.000 0.000 0.249 136 V C 2.917 178.857 176.094 -0.257 0.000 1.055 136 V CA 1.967 64.129 62.300 -0.231 0.000 1.065 136 V CB -0.758 30.936 31.823 -0.215 0.000 0.681 136 V HN 0.607 nan 8.190 nan 0.000 0.462 137 E N -0.337 119.625 120.200 -0.396 0.000 2.268 137 E HA -0.167 4.183 4.350 0.000 0.000 0.195 137 E C 1.514 177.931 176.600 -0.303 0.000 0.995 137 E CA 1.009 57.168 56.400 -0.403 0.000 0.836 137 E CB -0.555 28.819 29.700 -0.544 0.000 0.763 137 E HN 0.682 nan 8.360 nan 0.000 0.491 138 F N -0.658 119.261 119.950 -0.051 0.000 2.692 138 F HA 0.396 4.923 4.527 0.000 0.000 0.303 138 F C 1.694 177.482 175.800 -0.020 0.000 1.114 138 F CA -0.003 57.978 58.000 -0.033 0.000 1.361 138 F CB 0.112 39.093 39.000 -0.032 0.000 1.063 138 F HN 0.112 nan 8.300 nan 0.000 0.550 139 M N -0.836 118.808 119.600 0.073 0.000 2.356 139 M HA 0.184 4.665 4.480 0.000 0.000 0.262 139 M C 0.254 176.566 176.300 0.020 0.000 1.097 139 M CA 0.187 55.513 55.300 0.043 0.000 0.991 139 M CB 0.381 32.957 32.600 -0.041 0.000 1.450 139 M HN -0.187 nan 8.290 nan 0.000 0.495 140 R N 0.693 121.206 120.500 0.021 0.000 2.349 140 R HA 0.197 4.537 4.340 0.000 0.000 0.299 140 R C 0.679 176.999 176.300 0.033 0.000 1.027 140 R CA -0.454 55.653 56.100 0.012 0.000 0.958 140 R CB 0.894 31.189 30.300 -0.009 0.000 1.047 140 R HN 0.076 nan 8.270 nan 0.000 0.468 141 E N 1.711 121.927 120.200 0.026 0.000 2.330 141 E HA -0.360 3.990 4.350 0.000 0.000 0.239 141 E C 0.958 177.577 176.600 0.032 0.000 1.097 141 E CA 2.612 59.029 56.400 0.029 0.000 1.031 141 E CB -0.452 29.259 29.700 0.019 0.000 0.885 141 E HN 0.704 nan 8.360 nan 0.000 0.479 142 N N 0.243 118.961 118.700 0.030 0.000 2.666 142 N HA -0.006 4.734 4.740 0.000 0.000 0.194 142 N C 0.469 176.006 175.510 0.045 0.000 1.220 142 N CA 1.194 54.264 53.050 0.032 0.000 0.928 142 N CB -0.590 37.914 38.487 0.028 0.000 0.997 142 N HN 0.425 nan 8.380 nan 0.000 0.447 143 Q N 0.641 120.475 119.800 0.058 0.000 2.222 143 Q HA 0.532 4.872 4.340 0.000 0.000 0.252 143 Q C -2.723 173.302 176.000 0.042 0.000 0.926 143 Q CA -2.227 53.616 55.803 0.067 0.000 0.899 143 Q CB -0.045 28.762 28.738 0.114 0.000 1.250 143 Q HN 0.178 nan 8.270 nan 0.000 0.441 144 P HA -0.010 nan 4.420 nan 0.000 0.268 144 P C 0.429 177.742 177.300 0.022 0.000 1.208 144 P CA -0.099 63.008 63.100 0.012 0.000 0.777 144 P CB 0.745 32.438 31.700 -0.010 0.000 0.875 145 E N 2.249 122.464 120.200 0.025 0.000 2.130 145 E HA -0.295 4.055 4.350 0.000 0.000 0.196 145 E C 1.825 178.449 176.600 0.038 0.000 0.998 145 E CA 2.241 58.662 56.400 0.034 0.000 0.806 145 E CB -0.257 29.462 29.700 0.030 0.000 0.738 145 E HN 0.388 nan 8.360 nan 0.000 0.459 146 M N 0.493 120.108 119.600 0.025 0.000 2.254 146 M HA 0.030 4.511 4.480 0.000 0.000 0.265 146 M C 2.217 178.527 176.300 0.017 0.000 1.066 146 M CA 1.207 56.522 55.300 0.026 0.000 1.123 146 M CB -0.948 31.658 32.600 0.010 0.000 1.388 146 M HN 0.226 nan 8.290 nan 0.000 0.425 147 L N 0.060 121.277 121.223 -0.009 0.000 2.313 147 L HA -0.052 4.288 4.340 0.000 0.000 0.214 147 L C 2.455 179.345 176.870 0.033 0.000 1.119 147 L CA 1.686 56.497 54.840 -0.048 0.000 0.809 147 L CB -0.410 41.571 42.059 -0.131 0.000 0.933 147 L HN 0.644 nan 8.230 nan 0.000 0.449 148 Q N -1.355 118.487 119.800 0.071 0.000 2.163 148 Q HA -0.117 4.223 4.340 0.000 0.000 0.198 148 Q C 2.068 178.149 176.000 0.134 0.000 0.954 148 Q CA 1.099 56.971 55.803 0.114 0.000 0.851 148 Q CB -0.172 28.625 28.738 0.098 0.000 0.928 148 Q HN 0.412 nan 8.270 nan 0.000 0.459 149 L N 1.439 122.734 121.223 0.119 0.000 2.017 149 L HA -0.189 4.151 4.340 0.000 0.000 0.208 149 L C 1.988 178.998 176.870 0.233 0.000 1.073 149 L CA 1.865 56.798 54.840 0.154 0.000 0.745 149 L CB -0.238 41.903 42.059 0.136 0.000 0.894 149 L HN 0.084 nan 8.230 nan 0.000 0.432 150 E N -0.212 120.096 120.200 0.181 0.000 2.112 150 E HA -0.073 4.278 4.350 0.000 0.000 0.190 150 E C 2.214 178.917 176.600 0.171 0.000 0.979 150 E CA 1.129 57.628 56.400 0.165 0.000 0.814 150 E CB -0.551 29.176 29.700 0.045 0.000 0.762 150 E HN 0.595 nan 8.360 nan 0.000 0.460 151 A N 1.792 124.708 122.820 0.160 0.000 1.877 151 A HA -0.081 4.240 4.320 0.000 0.000 0.216 151 A C 2.433 180.153 177.584 0.228 0.000 1.186 151 A CA 2.155 54.307 52.037 0.193 0.000 0.620 151 A CB -0.601 18.547 19.000 0.247 0.000 0.822 151 A HN 0.265 nan 8.150 nan 0.000 0.443 152 A N -1.686 121.288 122.820 0.256 0.000 1.930 152 A HA -0.119 4.201 4.320 0.000 0.000 0.217 152 A C 2.007 179.772 177.584 0.301 0.000 1.175 152 A CA 1.406 53.637 52.037 0.323 0.000 0.627 152 A CB -0.774 18.407 19.000 0.301 0.000 0.815 152 A HN 0.807 nan 8.150 nan 0.000 0.443 153 W N 1.019 122.350 121.300 0.051 0.000 2.333 153 W HA -0.210 4.450 4.660 0.000 0.000 0.316 153 W C 2.470 178.976 176.519 -0.022 0.000 1.215 153 W CA 1.997 59.322 57.345 -0.033 0.000 1.278 153 W CB -0.896 28.537 29.460 -0.046 0.000 1.154 153 W HN 0.400 nan 8.180 nan 0.000 0.486 154 A N 0.503 123.508 122.820 0.309 0.000 1.883 154 A HA -0.200 4.120 4.320 0.000 0.000 0.217 154 A C 2.277 179.979 177.584 0.197 0.000 1.186 154 A CA 2.026 54.170 52.037 0.179 0.000 0.624 154 A CB -1.217 17.864 19.000 0.136 0.000 0.822 154 A HN 0.327 nan 8.150 nan 0.000 0.444 155 L N -0.535 120.824 121.223 0.227 0.000 2.265 155 L HA -0.137 4.203 4.340 0.000 0.000 0.215 155 L C 2.553 179.567 176.870 0.240 0.000 1.117 155 L CA 1.410 56.401 54.840 0.250 0.000 0.782 155 L CB -0.697 41.570 42.059 0.346 0.000 0.914 155 L HN 0.346 nan 8.230 nan 0.000 0.441 156 T N -0.871 113.794 114.554 0.184 0.000 2.812 156 T HA -0.061 4.290 4.350 0.000 0.000 0.264 156 T C 1.529 176.295 174.700 0.109 0.000 1.042 156 T CA 0.974 63.130 62.100 0.094 0.000 1.140 156 T CB -0.142 68.693 68.868 -0.055 0.000 0.870 156 T HN 0.298 nan 8.240 nan 0.000 0.445 157 N N 1.247 120.015 118.700 0.113 0.000 2.515 157 N HA 0.085 4.826 4.740 0.000 0.000 0.191 157 N C 1.014 176.592 175.510 0.114 0.000 1.182 157 N CA 0.319 53.431 53.050 0.103 0.000 0.879 157 N CB 0.049 38.593 38.487 0.094 0.000 0.984 157 N HN 0.342 nan 8.380 nan 0.000 0.453 158 I N -0.196 120.454 120.570 0.133 0.000 3.081 158 I HA 0.095 4.266 4.170 0.000 0.000 0.274 158 I C 1.990 178.189 176.117 0.137 0.000 1.178 158 I CA 0.316 61.694 61.300 0.129 0.000 1.460 158 I CB -0.903 37.179 38.000 0.136 0.000 1.137 158 I HN -0.073 nan 8.210 nan 0.000 0.443 159 A N 0.857 123.772 122.820 0.158 0.000 2.072 159 A HA -0.053 4.268 4.320 0.000 0.000 0.216 159 A C 2.065 179.755 177.584 0.176 0.000 1.156 159 A CA 1.113 53.253 52.037 0.171 0.000 0.701 159 A CB -0.499 18.607 19.000 0.177 0.000 0.816 159 A HN 0.450 nan 8.150 nan 0.000 0.458 160 S N -0.566 115.239 115.700 0.176 0.000 2.786 160 S HA 0.381 4.851 4.470 0.000 0.000 0.223 160 S C 0.906 175.588 174.600 0.136 0.000 0.956 160 S CA 0.176 58.486 58.200 0.183 0.000 0.961 160 S CB -0.512 62.804 63.200 0.194 0.000 0.784 160 S HN 0.594 nan 8.310 nan 0.000 0.519 161 G N 0.471 109.344 108.800 0.121 0.000 2.971 161 G HA2 0.540 4.500 3.960 0.000 0.000 0.235 161 G HA3 0.540 4.500 3.960 0.000 0.000 0.235 161 G C -0.338 174.614 174.900 0.086 0.000 1.351 161 G CA -0.695 44.461 45.100 0.093 0.000 1.039 161 G HN 0.274 nan 8.290 nan 0.000 0.563 162 T N -0.155 114.440 114.554 0.067 0.000 2.788 162 T HA 0.076 4.427 4.350 0.000 0.000 0.333 162 T C 1.957 176.697 174.700 0.066 0.000 1.090 162 T CA 0.683 62.815 62.100 0.055 0.000 1.094 162 T CB 1.031 69.924 68.868 0.041 0.000 0.999 162 T HN 0.578 nan 8.240 nan 0.000 0.549 163 S N 0.660 116.387 115.700 0.044 0.000 2.402 163 S HA -0.176 4.294 4.470 0.000 0.000 0.233 163 S C 2.203 176.845 174.600 0.069 0.000 1.030 163 S CA 1.432 59.656 58.200 0.041 0.000 1.003 163 S CB -0.558 62.630 63.200 -0.020 0.000 0.813 163 S HN 0.728 nan 8.310 nan 0.000 0.477 164 A N 1.041 123.895 122.820 0.056 0.000 1.873 164 A HA -0.096 4.225 4.320 0.000 0.000 0.215 164 A C 2.122 179.756 177.584 0.084 0.000 1.186 164 A CA 1.476 53.550 52.037 0.062 0.000 0.616 164 A CB -0.782 18.243 19.000 0.042 0.000 0.823 164 A HN 0.729 nan 8.150 nan 0.000 0.442 165 Q N -0.998 118.851 119.800 0.082 0.000 2.226 165 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 165 Q C 2.204 178.275 176.000 0.119 0.000 0.975 165 Q CA 1.718 57.576 55.803 0.091 0.000 0.866 165 Q CB -0.699 28.090 28.738 0.085 0.000 0.915 165 Q HN 0.784 nan 8.270 nan 0.000 0.440 166 T N 1.092 115.735 114.554 0.147 0.000 2.896 166 T HA -0.106 4.245 4.350 0.000 0.000 0.263 166 T C 1.783 176.617 174.700 0.222 0.000 1.050 166 T CA 1.141 63.360 62.100 0.198 0.000 1.140 166 T CB -0.169 68.850 68.868 0.252 0.000 0.877 166 T HN 0.068 nan 8.240 nan 0.000 0.457 167 K N 0.808 121.350 120.400 0.237 0.000 2.283 167 K HA 0.030 4.351 4.320 0.000 0.000 0.202 167 K C 2.048 178.714 176.600 0.110 0.000 1.048 167 K CA 0.720 57.144 56.287 0.230 0.000 0.948 167 K CB -0.171 32.455 32.500 0.209 0.000 0.742 167 K HN 0.271 nan 8.250 nan 0.000 0.458 168 V N 0.617 120.588 119.914 0.096 0.000 2.427 168 V HA -0.197 3.923 4.120 0.000 0.000 0.248 168 V C 2.167 178.293 176.094 0.054 0.000 1.051 168 V CA 1.347 63.685 62.300 0.064 0.000 1.048 168 V CB 0.070 31.932 31.823 0.065 0.000 0.666 168 V HN 0.157 nan 8.190 nan 0.000 0.456 169 V N -0.736 119.225 119.914 0.079 0.000 2.488 169 V HA -0.123 3.998 4.120 0.000 0.000 0.246 169 V C 2.376 178.501 176.094 0.052 0.000 1.046 169 V CA 1.297 63.648 62.300 0.084 0.000 1.053 169 V CB -0.074 31.845 31.823 0.159 0.000 0.679 169 V HN 0.383 nan 8.190 nan 0.000 0.458 170 V N 0.334 120.257 119.914 0.016 0.000 2.343 170 V HA -0.250 3.870 4.120 0.000 0.000 0.247 170 V C 2.145 178.199 176.094 -0.067 0.000 1.051 170 V CA 2.185 64.438 62.300 -0.079 0.000 1.036 170 V CB -0.606 30.980 31.823 -0.396 0.000 0.654 170 V HN 0.574 nan 8.190 nan 0.000 0.451 171 D N 0.253 120.624 120.400 -0.049 0.000 2.317 171 D HA 0.029 4.670 4.640 0.000 0.000 0.211 171 D C 1.749 178.029 176.300 -0.033 0.000 0.966 171 D CA 1.111 55.084 54.000 -0.044 0.000 0.876 171 D CB 0.054 40.839 40.800 -0.024 0.000 0.927 171 D HN 0.464 nan 8.370 nan 0.000 0.519 172 A N 0.673 123.474 122.820 -0.030 0.000 2.346 172 A HA 0.245 4.565 4.320 0.000 0.000 0.242 172 A C 0.944 178.488 177.584 -0.067 0.000 1.323 172 A CA 0.884 52.892 52.037 -0.048 0.000 0.940 172 A CB -1.307 17.663 19.000 -0.051 0.000 0.943 172 A HN 0.301 nan 8.150 nan 0.000 0.501 173 D N -2.052 118.323 120.400 -0.043 0.000 2.692 173 D HA -0.036 4.604 4.640 0.000 0.000 0.233 173 D C 0.919 177.164 176.300 -0.092 0.000 1.172 173 D CA 1.185 55.166 54.000 -0.030 0.000 0.636 173 D CB -1.855 38.926 40.800 -0.032 0.000 1.028 173 D HN 1.394 nan 8.370 nan 0.000 0.419 174 A N -1.083 121.658 122.820 -0.131 0.000 2.081 174 A HA 0.392 4.712 4.320 0.000 0.000 0.214 174 A C 2.653 180.004 177.584 -0.389 0.000 1.158 174 A CA 1.622 53.433 52.037 -0.377 0.000 0.724 174 A CB 0.301 19.030 19.000 -0.452 0.000 0.826 174 A HN 1.102 nan 8.150 nan 0.000 0.463 175 V N 1.655 121.563 119.914 -0.009 0.000 2.220 175 V HA -0.185 3.935 4.120 0.000 0.000 0.246 175 V C -0.038 176.070 176.094 0.023 0.000 1.049 175 V CA 2.647 65.019 62.300 0.121 0.000 1.003 175 V CB -1.551 30.261 31.823 -0.019 0.000 0.634 175 V HN 0.448 nan 8.190 nan 0.000 0.444 176 P HA -0.164 nan 4.420 nan 0.000 0.220 176 P C 1.720 179.010 177.300 -0.015 0.000 1.144 176 P CA 1.591 64.674 63.100 -0.028 0.000 0.800 176 P CB -0.069 31.618 31.700 -0.022 0.000 0.772 177 L N -2.740 118.430 121.223 -0.088 0.000 2.341 177 L HA 0.023 4.363 4.340 0.000 0.000 0.214 177 L C 2.663 179.510 176.870 -0.038 0.000 1.115 177 L CA 0.771 55.547 54.840 -0.107 0.000 0.820 177 L CB -0.672 41.255 42.059 -0.220 0.000 0.944 177 L HN -0.124 nan 8.230 nan 0.000 0.452 178 F N 0.279 120.227 119.950 -0.004 0.000 2.163 178 F HA -0.163 4.364 4.527 0.001 0.000 0.297 178 F C 2.382 178.168 175.800 -0.023 0.000 1.094 178 F CA 0.797 58.793 58.000 -0.007 0.000 1.290 178 F CB -0.013 38.978 39.000 -0.015 0.000 1.017 178 F HN -0.073 nan 8.300 nan 0.000 0.483 179 I N -0.106 120.563 120.570 0.166 0.000 2.142 179 I HA -0.329 3.841 4.170 0.000 0.000 0.240 179 I C 2.387 178.551 176.117 0.078 0.000 1.078 179 I CA 1.415 62.748 61.300 0.054 0.000 1.343 179 I CB -0.671 37.346 38.000 0.029 0.000 1.046 179 I HN 0.198 nan 8.210 nan 0.000 0.405 180 Q N 0.210 120.097 119.800 0.145 0.000 2.135 180 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 180 Q C 2.250 178.357 176.000 0.178 0.000 0.981 180 Q CA 1.414 57.347 55.803 0.218 0.000 0.856 180 Q CB -0.149 28.665 28.738 0.126 0.000 0.902 180 Q HN 0.342 nan 8.270 nan 0.000 0.425 181 L N 0.329 121.625 121.223 0.123 0.000 2.265 181 L HA -0.148 4.192 4.340 0.000 0.000 0.215 181 L C 1.747 178.661 176.870 0.073 0.000 1.117 181 L CA 1.317 56.222 54.840 0.108 0.000 0.782 181 L CB -0.150 41.990 42.059 0.136 0.000 0.914 181 L HN 0.231 nan 8.230 nan 0.000 0.441 182 L N -2.884 118.350 121.223 0.017 0.000 2.313 182 L HA -0.168 4.173 4.340 0.000 0.000 0.214 182 L C 1.932 178.753 176.870 -0.082 0.000 1.119 182 L CA 0.881 55.669 54.840 -0.086 0.000 0.809 182 L CB -0.452 41.479 42.059 -0.213 0.000 0.933 182 L HN 0.267 nan 8.230 nan 0.000 0.449 183 Y N -0.225 120.083 120.300 0.013 0.000 2.347 183 Y HA -0.127 4.423 4.550 0.001 0.000 0.294 183 Y C 2.852 178.759 175.900 0.010 0.000 1.117 183 Y CA 1.304 59.409 58.100 0.009 0.000 1.184 183 Y CB 0.238 38.702 38.460 0.007 0.000 1.047 183 Y HN 0.223 nan 8.280 nan 0.000 0.546 184 T N -3.373 111.290 114.554 0.182 0.000 2.978 184 T HA 0.279 4.629 4.350 0.000 0.000 0.248 184 T C 1.229 175.974 174.700 0.074 0.000 1.018 184 T CA 0.315 62.479 62.100 0.107 0.000 1.026 184 T CB -0.442 68.478 68.868 0.086 0.000 1.032 184 T HN 0.122 nan 8.240 nan 0.000 0.485 185 G N 2.084 110.927 108.800 0.071 0.000 2.667 185 G HA2 0.433 4.394 3.960 0.000 0.000 0.250 185 G HA3 0.433 4.394 3.960 0.000 0.000 0.250 185 G C 0.267 175.192 174.900 0.042 0.000 1.212 185 G CA 0.001 45.135 45.100 0.056 0.000 0.874 185 G HN 0.670 nan 8.290 nan 0.000 0.561 186 S N -0.936 114.785 115.700 0.036 0.000 2.652 186 S HA 0.199 4.669 4.470 0.000 0.000 0.267 186 S C 1.597 176.207 174.600 0.016 0.000 1.201 186 S CA -0.082 58.133 58.200 0.026 0.000 0.996 186 S CB 1.008 64.224 63.200 0.026 0.000 1.054 186 S HN 0.391 nan 8.310 nan 0.000 0.561 187 V N 1.494 121.413 119.914 0.008 0.000 2.233 187 V HA -0.172 3.949 4.120 0.000 0.000 0.247 187 V C 2.747 178.838 176.094 -0.005 0.000 1.050 187 V CA 2.491 64.788 62.300 -0.005 0.000 1.010 187 V CB -1.542 30.277 31.823 -0.007 0.000 0.637 187 V HN 0.853 nan 8.190 nan 0.000 0.444 188 E N 0.243 120.445 120.200 0.003 0.000 2.114 188 E HA -0.197 4.153 4.350 0.000 0.000 0.199 188 E C 2.039 178.641 176.600 0.004 0.000 1.008 188 E CA 1.563 57.963 56.400 0.001 0.000 0.810 188 E CB -0.692 29.020 29.700 0.021 0.000 0.739 188 E HN 0.485 nan 8.360 nan 0.000 0.456 189 V N 0.712 120.641 119.914 0.025 0.000 2.453 189 V HA -0.204 3.916 4.120 0.000 0.000 0.247 189 V C 1.918 178.034 176.094 0.036 0.000 1.048 189 V CA 1.625 63.951 62.300 0.044 0.000 1.049 189 V CB -0.362 31.496 31.823 0.058 0.000 0.672 189 V HN 0.209 nan 8.190 nan 0.000 0.457 190 K N 0.094 120.503 120.400 0.014 0.000 2.097 190 K HA -0.159 4.161 4.320 0.000 0.000 0.205 190 K C 2.093 178.685 176.600 -0.012 0.000 1.050 190 K CA 1.393 57.677 56.287 -0.004 0.000 0.938 190 K CB -0.159 32.322 32.500 -0.032 0.000 0.718 190 K HN 0.534 nan 8.250 nan 0.000 0.442 191 E N 0.485 120.676 120.200 -0.016 0.000 2.204 191 E HA -0.181 4.169 4.350 0.000 0.000 0.195 191 E C 2.033 178.645 176.600 0.019 0.000 0.990 191 E CA 0.846 57.244 56.400 -0.002 0.000 0.821 191 E CB 0.180 29.864 29.700 -0.027 0.000 0.750 191 E HN 0.281 nan 8.360 nan 0.000 0.477 192 Q N -0.248 119.539 119.800 -0.022 0.000 2.089 192 Q HA 0.030 4.370 4.340 0.000 0.000 0.195 192 Q C 2.212 178.212 176.000 0.000 0.000 0.963 192 Q CA 1.121 56.896 55.803 -0.046 0.000 0.834 192 Q CB -0.273 28.461 28.738 -0.007 0.000 0.906 192 Q HN 0.221 nan 8.270 nan 0.000 0.452 193 A N 0.974 123.809 122.820 0.025 0.000 1.969 193 A HA -0.124 4.196 4.320 0.000 0.000 0.218 193 A C 2.090 179.590 177.584 -0.140 0.000 1.169 193 A CA 1.018 53.036 52.037 -0.032 0.000 0.635 193 A CB -0.472 18.611 19.000 0.139 0.000 0.810 193 A HN 0.284 nan 8.150 nan 0.000 0.445 194 I N -1.430 119.111 120.570 -0.048 0.000 2.252 194 I HA -0.164 4.006 4.170 0.000 0.000 0.245 194 I C 2.166 178.283 176.117 -0.001 0.000 1.102 194 I CA 0.958 62.220 61.300 -0.063 0.000 1.385 194 I CB -0.406 37.554 38.000 -0.066 0.000 1.064 194 I HN 0.616 nan 8.210 nan 0.000 0.414 195 W N 1.589 122.839 121.300 -0.083 0.000 2.335 195 W HA -0.243 4.417 4.660 0.000 0.000 0.311 195 W C 2.412 178.925 176.519 -0.010 0.000 1.213 195 W CA 2.478 59.864 57.345 0.068 0.000 1.274 195 W CB -0.891 28.572 29.460 0.005 0.000 1.148 195 W HN 0.307 nan 8.180 nan 0.000 0.498 196 A N 0.334 123.205 122.820 0.083 0.000 1.972 196 A HA -0.180 4.141 4.320 0.000 0.000 0.219 196 A C 2.213 179.621 177.584 -0.294 0.000 1.169 196 A CA 1.654 53.560 52.037 -0.218 0.000 0.635 196 A CB -1.086 17.406 19.000 -0.846 0.000 0.810 196 A HN 0.325 nan 8.150 nan 0.000 0.446 197 L N -0.878 120.146 121.223 -0.332 0.000 2.291 197 L HA -0.055 4.286 4.340 0.000 0.000 0.214 197 L C 2.659 179.381 176.870 -0.247 0.000 1.120 197 L CA 0.608 55.297 54.840 -0.251 0.000 0.799 197 L CB -0.469 41.462 42.059 -0.213 0.000 0.925 197 L HN 0.503 nan 8.230 nan 0.000 0.446 198 G N -0.086 108.523 108.800 -0.319 0.000 2.404 198 G HA2 -0.231 3.729 3.960 0.000 0.000 0.214 198 G HA3 -0.231 3.729 3.960 0.000 0.000 0.214 198 G C 1.360 176.006 174.900 -0.422 0.000 1.189 198 G CA 0.374 45.006 45.100 -0.779 0.000 0.789 198 G HN 0.291 nan 8.290 nan 0.000 0.533 199 N N 0.538 119.264 118.700 0.043 0.000 2.166 199 N HA -0.104 4.636 4.740 0.000 0.000 0.186 199 N C 2.263 177.844 175.510 0.119 0.000 1.019 199 N CA 1.119 54.294 53.050 0.208 0.000 0.856 199 N CB -0.312 38.363 38.487 0.313 0.000 0.993 199 N HN 0.202 nan 8.380 nan 0.000 0.426 200 V N 1.164 121.118 119.914 0.065 0.000 2.548 200 V HA -0.066 4.054 4.120 0.000 0.000 0.249 200 V C 2.327 178.505 176.094 0.140 0.000 1.055 200 V CA 1.554 63.927 62.300 0.122 0.000 1.065 200 V CB -0.691 31.169 31.823 0.060 0.000 0.681 200 V HN 0.269 nan 8.190 nan 0.000 0.462 201 A N 0.456 123.278 122.820 0.002 0.000 1.970 201 A HA 0.110 4.430 4.320 0.000 0.000 0.216 201 A C 2.196 179.764 177.584 -0.027 0.000 1.170 201 A CA 1.305 53.333 52.037 -0.016 0.000 0.645 201 A CB -0.695 18.228 19.000 -0.128 0.000 0.816 201 A HN 0.524 nan 8.150 nan 0.000 0.447 202 G N -0.789 107.973 108.800 -0.063 0.000 3.026 202 G HA2 0.064 4.025 3.960 0.000 0.000 0.208 202 G HA3 0.064 4.025 3.960 0.000 0.000 0.208 202 G C 0.845 175.756 174.900 0.018 0.000 1.169 202 G CA 0.929 46.003 45.100 -0.043 0.000 0.788 202 G HN 0.541 nan 8.290 nan 0.000 0.533 203 D N 0.134 120.572 120.400 0.063 0.000 2.183 203 D HA 0.061 4.702 4.640 0.000 0.000 0.205 203 D C 1.257 177.527 176.300 -0.049 0.000 0.962 203 D CA 1.212 55.241 54.000 0.048 0.000 0.849 203 D CB 0.378 41.265 40.800 0.146 0.000 0.978 203 D HN 0.320 nan 8.370 nan 0.000 0.488 204 S N -3.061 112.607 115.700 -0.054 0.000 2.611 204 S HA 0.173 4.643 4.470 0.000 0.000 0.270 204 S C 0.840 175.410 174.600 -0.050 0.000 1.131 204 S CA -0.138 57.998 58.200 -0.106 0.000 0.826 204 S CB 0.606 63.662 63.200 -0.240 0.000 1.095 204 S HN 0.068 nan 8.310 nan 0.000 0.461 205 T N -1.430 113.091 114.554 -0.055 0.000 2.849 205 T HA -0.097 4.253 4.350 0.000 0.000 0.270 205 T C 0.824 175.536 174.700 0.020 0.000 1.066 205 T CA 1.933 64.019 62.100 -0.023 0.000 1.130 205 T CB -0.714 68.136 68.868 -0.030 0.000 0.864 205 T HN 0.564 nan 8.240 nan 0.000 0.481 206 D N 0.126 120.533 120.400 0.011 0.000 2.183 206 D HA 0.082 4.723 4.640 0.000 0.000 0.205 206 D C 1.822 178.282 176.300 0.267 0.000 0.962 206 D CA 0.774 54.825 54.000 0.084 0.000 0.849 206 D CB -0.401 40.411 40.800 0.020 0.000 0.978 206 D HN 0.572 nan 8.370 nan 0.000 0.488 207 Y N 0.627 120.970 120.300 0.072 0.000 2.352 207 Y HA -0.084 4.467 4.550 0.001 0.000 0.292 207 Y C 2.619 178.605 175.900 0.143 0.000 1.136 207 Y CA 0.239 58.433 58.100 0.156 0.000 1.227 207 Y CB 0.281 38.810 38.460 0.115 0.000 0.991 207 Y HN -0.103 nan 8.280 nan 0.000 0.545 208 R N 0.939 121.570 120.500 0.218 0.000 2.061 208 R HA -0.169 4.171 4.340 0.000 0.000 0.230 208 R C 1.566 177.921 176.300 0.092 0.000 1.140 208 R CA 2.023 58.179 56.100 0.095 0.000 0.940 208 R CB -0.295 30.023 30.300 0.030 0.000 0.839 208 R HN 0.267 nan 8.270 nan 0.000 0.429 209 D N -0.237 120.229 120.400 0.111 0.000 2.149 209 D HA -0.221 4.419 4.640 0.000 0.000 0.198 209 D C 1.700 178.086 176.300 0.144 0.000 0.990 209 D CA 1.202 55.263 54.000 0.102 0.000 0.839 209 D CB -0.409 40.451 40.800 0.099 0.000 0.948 209 D HN 0.301 nan 8.370 nan 0.000 0.460 210 Y N 2.174 122.510 120.300 0.060 0.000 2.097 210 Y HA -0.229 4.321 4.550 0.000 0.000 0.282 210 Y C 2.269 178.180 175.900 0.018 0.000 1.152 210 Y CA 0.979 59.105 58.100 0.044 0.000 1.136 210 Y CB -0.652 37.844 38.460 0.059 0.000 0.975 210 Y HN -0.218 nan 8.280 nan 0.000 0.498 211 V N 0.756 120.565 119.914 -0.175 0.000 2.469 211 V HA -0.320 3.800 4.120 0.000 0.000 0.251 211 V C 2.535 178.526 176.094 -0.173 0.000 1.064 211 V CA 2.026 64.156 62.300 -0.284 0.000 1.066 211 V CB -0.786 30.952 31.823 -0.142 0.000 0.667 211 V HN 0.458 nan 8.190 nan 0.000 0.461 212 L N -0.876 120.300 121.223 -0.080 0.000 2.109 212 L HA -0.165 4.175 4.340 0.000 0.000 0.207 212 L C 2.596 179.442 176.870 -0.041 0.000 1.086 212 L CA 1.317 56.127 54.840 -0.050 0.000 0.760 212 L CB -0.563 41.485 42.059 -0.018 0.000 0.910 212 L HN 0.312 nan 8.230 nan 0.000 0.437 213 Q N -0.826 118.960 119.800 -0.023 0.000 2.226 213 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 213 Q C 2.226 178.206 176.000 -0.033 0.000 0.975 213 Q CA 1.342 57.146 55.803 0.002 0.000 0.866 213 Q CB -0.214 28.561 28.738 0.063 0.000 0.915 213 Q HN 0.539 nan 8.270 nan 0.000 0.440 214 C N 1.260 120.492 119.300 -0.112 0.000 2.511 214 C HA 0.032 4.492 4.460 0.000 0.000 0.277 214 C C 0.211 175.166 174.990 -0.058 0.000 1.451 214 C CA -0.240 58.703 59.018 -0.124 0.000 1.735 214 C CB -1.365 26.218 27.740 -0.261 0.000 1.704 214 C HN 0.556 nan 8.230 nan 0.000 0.571 215 N N -0.595 118.080 118.700 -0.042 0.000 2.758 215 N HA -0.190 4.551 4.740 0.000 0.000 0.248 215 N C 0.586 176.087 175.510 -0.014 0.000 1.076 215 N CA 0.900 53.943 53.050 -0.012 0.000 0.696 215 N CB -1.236 37.264 38.487 0.022 0.000 0.979 215 N HN 0.668 nan 8.380 nan 0.000 0.550 216 A N -0.446 122.341 122.820 -0.055 0.000 2.169 216 A HA 0.050 4.370 4.320 0.000 0.000 0.212 216 A C 2.204 179.741 177.584 -0.079 0.000 1.153 216 A CA 1.095 53.085 52.037 -0.078 0.000 0.756 216 A CB -0.043 18.898 19.000 -0.099 0.000 0.813 216 A HN 0.292 nan 8.150 nan 0.000 0.471 217 M N 0.865 120.432 119.600 -0.055 0.000 2.080 217 M HA -0.108 4.372 4.480 0.000 0.000 0.260 217 M C 2.043 178.323 176.300 -0.033 0.000 1.068 217 M CA 2.519 57.793 55.300 -0.044 0.000 1.109 217 M CB -1.009 31.565 32.600 -0.043 0.000 1.342 217 M HN 0.517 nan 8.290 nan 0.000 0.405 218 E N 1.070 121.258 120.200 -0.020 0.000 2.021 218 E HA -0.193 4.157 4.350 0.000 0.000 0.200 218 E C -0.106 176.466 176.600 -0.047 0.000 1.015 218 E CA 2.064 58.467 56.400 0.004 0.000 0.824 218 E CB -3.089 26.654 29.700 0.070 0.000 0.762 218 E HN 0.673 nan 8.360 nan 0.000 0.454 219 P HA -0.042 nan 4.420 nan 0.000 0.220 219 P C 1.615 178.780 177.300 -0.225 0.000 1.148 219 P CA 1.231 64.087 63.100 -0.406 0.000 0.803 219 P CB -0.066 31.066 31.700 -0.947 0.000 0.782 220 I N -0.479 120.009 120.570 -0.137 0.000 2.202 220 I HA -0.186 3.984 4.170 0.000 0.000 0.242 220 I C 2.633 178.795 176.117 0.075 0.000 1.091 220 I CA 1.109 62.368 61.300 -0.068 0.000 1.368 220 I CB -0.572 37.406 38.000 -0.036 0.000 1.058 220 I HN -0.150 nan 8.210 nan 0.000 0.410 221 L N 0.422 121.719 121.223 0.124 0.000 2.131 221 L HA -0.115 4.226 4.340 0.000 0.000 0.210 221 L C 2.590 179.604 176.870 0.239 0.000 1.092 221 L CA 1.331 56.318 54.840 0.245 0.000 0.759 221 L CB -1.039 41.069 42.059 0.082 0.000 0.903 221 L HN 0.319 nan 8.230 nan 0.000 0.435 222 G N -0.012 108.838 108.800 0.083 0.000 2.471 222 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 222 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 222 G C 1.616 176.530 174.900 0.023 0.000 1.125 222 G CA 0.218 45.350 45.100 0.053 0.000 0.775 222 G HN 0.247 nan 8.290 nan 0.000 0.548 223 L N -0.594 120.596 121.223 -0.056 0.000 2.131 223 L HA 0.027 4.367 4.340 0.000 0.000 0.210 223 L C 2.068 178.801 176.870 -0.228 0.000 1.092 223 L CA 0.556 55.274 54.840 -0.203 0.000 0.759 223 L CB -0.402 41.425 42.059 -0.386 0.000 0.903 223 L HN 0.144 nan 8.230 nan 0.000 0.435 224 F N -0.187 119.749 119.950 -0.024 0.000 2.773 224 F HA -0.066 4.462 4.527 0.000 0.000 0.299 224 F C 1.740 177.536 175.800 -0.008 0.000 1.204 224 F CA 0.439 58.431 58.000 -0.014 0.000 1.454 224 F CB -0.688 38.303 39.000 -0.014 0.000 1.117 224 F HN 0.156 nan 8.300 nan 0.000 0.590 225 N N -0.387 118.376 118.700 0.104 0.000 2.314 225 N HA -0.006 4.735 4.740 0.000 0.000 0.200 225 N C 0.484 176.015 175.510 0.035 0.000 1.135 225 N CA 0.170 53.261 53.050 0.069 0.000 0.835 225 N CB 0.350 38.869 38.487 0.053 0.000 0.989 225 N HN 0.126 nan 8.380 nan 0.000 0.478 226 S N -0.256 115.453 115.700 0.015 0.000 2.681 226 S HA 0.281 4.752 4.470 0.000 0.000 0.299 226 S C 0.611 175.217 174.600 0.010 0.000 1.113 226 S CA -0.683 57.514 58.200 -0.006 0.000 1.013 226 S CB 1.626 64.798 63.200 -0.047 0.000 1.076 226 S HN 0.267 nan 8.310 nan 0.000 0.534 227 N N 0.357 119.061 118.700 0.008 0.000 2.184 227 N HA 0.142 4.882 4.740 0.000 0.000 0.206 227 N C -0.082 175.433 175.510 0.010 0.000 1.151 227 N CA -0.148 52.912 53.050 0.017 0.000 0.878 227 N CB -0.102 38.396 38.487 0.019 0.000 1.014 227 N HN 0.640 nan 8.380 nan 0.000 0.512 228 K N 2.406 122.802 120.400 -0.006 0.000 2.278 228 K HA 0.175 4.496 4.320 0.000 0.000 0.289 228 K C -1.727 174.867 176.600 -0.010 0.000 1.080 228 K CA -1.449 54.833 56.287 -0.008 0.000 0.934 228 K CB 0.016 32.506 32.500 -0.017 0.000 1.093 228 K HN 0.162 nan 8.250 nan 0.000 0.459 229 P HA -0.354 nan 4.420 nan 0.000 0.216 229 P C 1.478 178.777 177.300 -0.002 0.000 1.154 229 P CA 2.193 65.299 63.100 0.010 0.000 0.865 229 P CB 0.123 31.833 31.700 0.017 0.000 0.789 230 S N -0.482 115.216 115.700 -0.004 0.000 2.383 230 S HA -0.137 4.333 4.470 0.000 0.000 0.227 230 S C 2.052 176.639 174.600 -0.021 0.000 1.026 230 S CA 1.035 59.233 58.200 -0.003 0.000 0.981 230 S CB -1.568 61.638 63.200 0.010 0.000 0.818 230 S HN 0.053 nan 8.310 nan 0.000 0.472 231 L N 1.220 122.418 121.223 -0.041 0.000 2.109 231 L HA 0.159 4.500 4.340 0.000 0.000 0.207 231 L C 2.122 178.905 176.870 -0.146 0.000 1.086 231 L CA 1.345 56.135 54.840 -0.084 0.000 0.760 231 L CB -0.642 41.359 42.059 -0.096 0.000 0.910 231 L HN 0.202 nan 8.230 nan 0.000 0.437 232 I N -0.144 120.358 120.570 -0.114 0.000 2.226 232 I HA -0.229 3.942 4.170 0.000 0.000 0.245 232 I C 2.659 178.768 176.117 -0.013 0.000 1.100 232 I CA 1.235 62.475 61.300 -0.100 0.000 1.374 232 I CB -1.245 36.775 38.000 0.033 0.000 1.057 232 I HN 0.354 nan 8.210 nan 0.000 0.413 233 R N 0.314 120.809 120.500 -0.009 0.000 2.080 233 R HA -0.150 4.190 4.340 0.000 0.000 0.236 233 R C 2.222 178.513 176.300 -0.014 0.000 1.137 233 R CA 2.182 58.280 56.100 -0.003 0.000 0.943 233 R CB -0.975 29.298 30.300 -0.045 0.000 0.846 233 R HN 0.356 nan 8.270 nan 0.000 0.431 234 T N 1.083 115.588 114.554 -0.081 0.000 2.788 234 T HA -0.120 4.230 4.350 0.000 0.000 0.268 234 T C 1.999 176.700 174.700 0.001 0.000 1.044 234 T CA 1.354 63.406 62.100 -0.082 0.000 1.139 234 T CB -0.237 68.566 68.868 -0.110 0.000 0.867 234 T HN 0.393 nan 8.240 nan 0.000 0.454 235 A N 1.492 124.261 122.820 -0.084 0.000 1.930 235 A HA -0.090 4.230 4.320 0.000 0.000 0.217 235 A C 2.544 180.204 177.584 0.126 0.000 1.175 235 A CA 1.835 53.793 52.037 -0.132 0.000 0.627 235 A CB -1.099 17.552 19.000 -0.582 0.000 0.815 235 A HN 0.486 nan 8.150 nan 0.000 0.443 236 T N -1.710 112.979 114.554 0.225 0.000 2.857 236 T HA -0.157 4.193 4.350 0.000 0.000 0.266 236 T C 1.502 176.316 174.700 0.190 0.000 1.048 236 T CA 1.322 63.592 62.100 0.284 0.000 1.139 236 T CB -0.317 68.698 68.868 0.245 0.000 0.874 236 T HN 0.778 nan 8.240 nan 0.000 0.455 237 W N 2.295 123.578 121.300 -0.028 0.000 2.379 237 W HA -0.131 4.529 4.660 0.000 0.000 0.307 237 W C 2.118 178.604 176.519 -0.055 0.000 1.200 237 W CA 1.409 58.712 57.345 -0.068 0.000 1.297 237 W CB -0.979 28.362 29.460 -0.199 0.000 1.140 237 W HN 0.087 nan 8.180 nan 0.000 0.507 238 T N 1.825 116.130 114.554 -0.416 0.000 2.708 238 T HA -0.247 4.103 4.350 0.000 0.000 0.266 238 T C 1.700 176.209 174.700 -0.318 0.000 1.037 238 T CA 1.733 63.466 62.100 -0.611 0.000 1.146 238 T CB -0.894 67.746 68.868 -0.381 0.000 0.865 238 T HN 0.147 nan 8.240 nan 0.000 0.435 239 L N 1.380 122.537 121.223 -0.110 0.000 2.079 239 L HA -0.072 4.268 4.340 0.000 0.000 0.210 239 L C 2.566 179.428 176.870 -0.014 0.000 1.081 239 L CA 1.842 56.671 54.840 -0.019 0.000 0.752 239 L CB -1.180 40.935 42.059 0.093 0.000 0.896 239 L HN 0.210 nan 8.230 nan 0.000 0.433 240 S N -0.226 115.474 115.700 -0.001 0.000 2.359 240 S HA -0.282 4.188 4.470 0.000 0.000 0.222 240 S C 1.834 176.501 174.600 0.112 0.000 1.038 240 S CA 2.115 60.387 58.200 0.121 0.000 1.051 240 S CB -0.596 62.700 63.200 0.161 0.000 0.944 240 S HN 0.744 nan 8.310 nan 0.000 0.433 241 N N 0.358 118.971 118.700 -0.145 0.000 2.443 241 N HA 0.022 4.762 4.740 0.000 0.000 0.184 241 N C 1.480 176.909 175.510 -0.135 0.000 1.037 241 N CA 0.895 53.830 53.050 -0.193 0.000 0.896 241 N CB -0.171 38.081 38.487 -0.392 0.000 0.959 241 N HN 0.404 nan 8.380 nan 0.000 0.442 242 L N -0.520 120.645 121.223 -0.096 0.000 2.418 242 L HA 0.015 4.355 4.340 0.000 0.000 0.218 242 L C 1.408 178.268 176.870 -0.016 0.000 1.125 242 L CA 0.323 55.126 54.840 -0.062 0.000 0.835 242 L CB 0.115 42.136 42.059 -0.063 0.000 0.953 242 L HN 0.343 nan 8.230 nan 0.000 0.454 243 C N -1.334 117.991 119.300 0.042 0.000 2.735 243 C HA 0.107 4.567 4.460 0.000 0.000 0.271 243 C C 1.715 176.723 174.990 0.030 0.000 1.281 243 C CA -0.634 58.451 59.018 0.111 0.000 1.719 243 C CB -0.504 27.379 27.740 0.238 0.000 2.024 243 C HN 0.340 nan 8.230 nan 0.000 0.566 244 R N 1.266 121.647 120.500 -0.199 0.000 2.827 244 R HA 0.410 4.750 4.340 0.000 0.000 0.269 244 R C 0.353 176.440 176.300 -0.355 0.000 1.048 244 R CA 1.536 57.211 56.100 -0.709 0.000 1.173 244 R CB -0.073 29.790 30.300 -0.727 0.000 1.070 244 R HN 0.513 nan 8.270 nan 0.000 0.498 245 G N 2.142 110.724 108.800 -0.362 0.000 3.439 245 G HA2 -0.197 3.764 3.960 0.000 0.000 0.684 245 G HA3 -0.197 3.764 3.960 0.000 0.000 0.684 245 G C -0.116 174.729 174.900 -0.091 0.000 1.005 245 G CA 0.135 45.129 45.100 -0.176 0.000 0.837 245 G HN 0.719 nan 8.290 nan 0.000 0.470 246 K N 1.564 121.927 120.400 -0.061 0.000 2.348 246 K HA 0.336 4.657 4.320 0.000 0.000 0.194 246 K C 2.693 179.285 176.600 -0.013 0.000 1.052 246 K CA 1.364 57.641 56.287 -0.016 0.000 1.004 246 K CB -0.118 32.383 32.500 0.003 0.000 0.873 246 K HN 0.787 nan 8.250 nan 0.000 0.523 247 K N 1.635 122.021 120.400 -0.025 0.000 1.987 247 K HA -0.036 4.284 4.320 0.000 0.000 0.222 247 K C -1.658 174.935 176.600 -0.011 0.000 1.029 247 K CA 0.924 57.200 56.287 -0.019 0.000 1.011 247 K CB -1.967 30.517 32.500 -0.026 0.000 0.769 247 K HN 0.135 nan 8.250 nan 0.000 0.444 248 P HA 0.147 nan 4.420 nan 0.000 0.273 248 P C -0.872 176.432 177.300 0.006 0.000 1.319 248 P CA -0.187 62.913 63.100 -0.001 0.000 0.885 248 P CB 0.295 31.994 31.700 -0.003 0.000 1.015 249 Q N 4.509 124.320 119.800 0.019 0.000 2.311 249 Q HA 0.262 4.602 4.340 0.000 0.000 0.272 249 Q C -2.087 173.948 176.000 0.058 0.000 1.012 249 Q CA -1.713 54.114 55.803 0.039 0.000 0.891 249 Q CB -0.837 27.931 28.738 0.049 0.000 1.201 249 Q HN 0.415 nan 8.270 nan 0.000 0.391 250 P HA 0.045 nan 4.420 nan 0.000 0.271 250 P C -0.449 176.915 177.300 0.106 0.000 1.233 250 P CA -0.339 62.802 63.100 0.069 0.000 0.789 250 P CB 0.540 32.273 31.700 0.054 0.000 0.951 251 D N 1.057 121.506 120.400 0.081 0.000 2.412 251 D HA -0.092 4.548 4.640 0.000 0.000 0.257 251 D C 0.984 177.357 176.300 0.122 0.000 1.217 251 D CA -0.048 54.010 54.000 0.097 0.000 0.897 251 D CB 0.171 41.003 40.800 0.052 0.000 1.132 251 D HN 0.452 nan 8.370 nan 0.000 0.493 252 W N 3.790 125.097 121.300 0.011 0.000 2.418 252 W HA -0.185 4.475 4.660 0.000 0.000 0.292 252 W C 1.649 178.175 176.519 0.011 0.000 1.213 252 W CA 1.331 58.684 57.345 0.013 0.000 1.283 252 W CB -0.018 29.450 29.460 0.013 0.000 1.119 252 W HN 0.502 nan 8.180 nan 0.000 0.542 253 S N 0.011 115.701 115.700 -0.017 0.000 2.547 253 S HA -0.102 4.369 4.470 0.000 0.000 0.235 253 S C 1.430 175.932 174.600 -0.164 0.000 0.980 253 S CA 1.157 59.294 58.200 -0.104 0.000 0.941 253 S CB -0.347 62.865 63.200 0.020 0.000 0.763 253 S HN 0.060 nan 8.310 nan 0.000 0.532 254 V N 1.283 121.105 119.914 -0.154 0.000 2.690 254 V HA 0.044 4.164 4.120 0.000 0.000 0.240 254 V C 2.526 178.508 176.094 -0.187 0.000 1.078 254 V CA 0.964 63.186 62.300 -0.130 0.000 1.102 254 V CB 0.084 31.870 31.823 -0.061 0.000 0.800 254 V HN 0.556 nan 8.190 nan 0.000 0.479 255 V N -0.360 119.419 119.914 -0.224 0.000 2.871 255 V HA -0.045 4.075 4.120 0.000 0.000 0.256 255 V C 2.333 178.179 176.094 -0.413 0.000 1.082 255 V CA 1.621 63.781 62.300 -0.232 0.000 1.105 255 V CB -0.721 31.031 31.823 -0.118 0.000 0.713 255 V HN 0.585 nan 8.190 nan 0.000 0.473 256 S N -0.219 115.022 115.700 -0.766 0.000 2.507 256 S HA -0.159 4.311 4.470 0.000 0.000 0.235 256 S C 1.835 176.173 174.600 -0.438 0.000 0.988 256 S CA 1.216 58.865 58.200 -0.919 0.000 0.944 256 S CB -0.598 61.691 63.200 -1.519 0.000 0.762 256 S HN 0.719 nan 8.310 nan 0.000 0.526 257 Q N 0.527 120.135 119.800 -0.320 0.000 2.291 257 Q HA 0.121 4.461 4.340 0.000 0.000 0.205 257 Q C 2.296 178.204 176.000 -0.154 0.000 0.970 257 Q CA 1.080 56.769 55.803 -0.191 0.000 0.876 257 Q CB -0.346 28.307 28.738 -0.142 0.000 0.935 257 Q HN 0.828 nan 8.270 nan 0.000 0.455 258 A N 0.406 123.124 122.820 -0.169 0.000 2.067 258 A HA -0.044 4.276 4.320 0.000 0.000 0.217 258 A C 1.929 179.425 177.584 -0.146 0.000 1.156 258 A CA 0.284 52.234 52.037 -0.146 0.000 0.683 258 A CB -0.327 18.598 19.000 -0.124 0.000 0.808 258 A HN 0.267 nan 8.150 nan 0.000 0.455 259 L N -0.358 120.783 121.223 -0.136 0.000 2.010 259 L HA -0.223 4.118 4.340 0.000 0.000 0.219 259 L C -0.339 176.480 176.870 -0.086 0.000 1.077 259 L CA 2.123 56.907 54.840 -0.094 0.000 0.773 259 L CB -1.749 40.269 42.059 -0.069 0.000 0.892 259 L HN 0.244 nan 8.230 nan 0.000 0.436 260 P HA -0.149 nan 4.420 nan 0.000 0.215 260 P C 1.667 178.904 177.300 -0.105 0.000 1.157 260 P CA 1.596 64.650 63.100 -0.076 0.000 0.868 260 P CB -0.046 31.613 31.700 -0.069 0.000 0.788 261 T N -0.320 114.138 114.554 -0.160 0.000 2.674 261 T HA -0.123 4.227 4.350 0.000 0.000 0.265 261 T C 1.742 176.279 174.700 -0.271 0.000 1.039 261 T CA 1.157 63.097 62.100 -0.267 0.000 1.150 261 T CB -1.044 67.565 68.868 -0.432 0.000 0.864 261 T HN 0.033 nan 8.240 nan 0.000 0.427 262 L N 0.765 121.852 121.223 -0.226 0.000 2.079 262 L HA -0.150 4.190 4.340 0.000 0.000 0.210 262 L C 2.952 179.773 176.870 -0.082 0.000 1.081 262 L CA 1.233 55.976 54.840 -0.161 0.000 0.752 262 L CB -0.613 41.377 42.059 -0.115 0.000 0.896 262 L HN 0.252 nan 8.230 nan 0.000 0.433 263 A N -0.306 122.486 122.820 -0.047 0.000 2.019 263 A HA -0.172 4.149 4.320 0.000 0.000 0.219 263 A C 2.484 180.131 177.584 0.106 0.000 1.164 263 A CA 1.708 53.763 52.037 0.028 0.000 0.644 263 A CB -0.261 18.753 19.000 0.023 0.000 0.805 263 A HN 0.287 nan 8.150 nan 0.000 0.449 264 K N -0.495 119.923 120.400 0.030 0.000 2.098 264 K HA 0.193 4.513 4.320 0.000 0.000 0.203 264 K C 1.970 178.632 176.600 0.104 0.000 1.051 264 K CA 0.886 57.210 56.287 0.062 0.000 0.957 264 K CB -0.983 31.504 32.500 -0.021 0.000 0.738 264 K HN 0.600 nan 8.250 nan 0.000 0.447 265 L N 1.277 122.498 121.223 -0.004 0.000 2.081 265 L HA -0.128 4.212 4.340 0.000 0.000 0.212 265 L C 2.352 179.229 176.870 0.011 0.000 1.080 265 L CA 1.644 56.480 54.840 -0.007 0.000 0.754 265 L CB -0.834 41.172 42.059 -0.088 0.000 0.893 265 L HN 0.348 nan 8.230 nan 0.000 0.433 266 I N -4.563 115.997 120.570 -0.017 0.000 3.241 266 I HA -0.221 3.949 4.170 0.000 0.000 0.280 266 I C 1.359 177.354 176.117 -0.204 0.000 1.320 266 I CA 1.031 62.259 61.300 -0.120 0.000 1.413 266 I CB -0.551 37.337 38.000 -0.186 0.000 1.060 266 I HN 0.104 nan 8.210 nan 0.000 0.500 267 Y N 1.265 121.549 120.300 -0.025 0.000 2.468 267 Y HA 0.267 4.817 4.550 0.001 0.000 0.268 267 Y C 1.665 177.566 175.900 0.002 0.000 1.177 267 Y CA -0.250 57.844 58.100 -0.010 0.000 1.265 267 Y CB 0.030 38.484 38.460 -0.011 0.000 1.103 267 Y HN 0.159 nan 8.280 nan 0.000 0.522 268 S N 0.180 115.929 115.700 0.083 0.000 2.576 268 S HA 0.079 4.549 4.470 0.000 0.000 0.276 268 S C 1.291 175.920 174.600 0.050 0.000 1.339 268 S CA -0.456 57.784 58.200 0.067 0.000 1.039 268 S CB 0.543 63.774 63.200 0.050 0.000 0.902 268 S HN 0.274 nan 8.310 nan 0.000 0.516 269 M N 2.206 121.840 119.600 0.058 0.000 2.514 269 M HA 0.135 4.615 4.480 0.000 0.000 0.258 269 M C 0.398 176.735 176.300 0.061 0.000 1.119 269 M CA 0.337 55.674 55.300 0.061 0.000 1.111 269 M CB -1.507 31.126 32.600 0.054 0.000 1.390 269 M HN 0.658 nan 8.290 nan 0.000 0.475 270 D N 1.222 121.649 120.400 0.045 0.000 2.338 270 D HA 0.076 4.717 4.640 0.000 0.000 0.255 270 D C 0.922 177.233 176.300 0.018 0.000 1.237 270 D CA 0.290 54.311 54.000 0.036 0.000 0.883 270 D CB 1.149 41.968 40.800 0.032 0.000 1.087 270 D HN 0.047 nan 8.370 nan 0.000 0.485 271 T N 2.926 117.498 114.554 0.030 0.000 2.597 271 T HA -0.295 4.055 4.350 0.000 0.000 0.267 271 T C 1.580 176.255 174.700 -0.042 0.000 1.053 271 T CA 1.706 63.802 62.100 -0.008 0.000 1.165 271 T CB -0.280 68.617 68.868 0.048 0.000 0.863 271 T HN 0.662 nan 8.240 nan 0.000 0.427 272 E N 0.117 120.310 120.200 -0.012 0.000 2.085 272 E HA -0.174 4.177 4.350 0.000 0.000 0.194 272 E C 2.204 178.802 176.600 -0.003 0.000 0.994 272 E CA 1.545 57.937 56.400 -0.012 0.000 0.801 272 E CB -0.151 29.537 29.700 -0.019 0.000 0.743 272 E HN 0.428 nan 8.360 nan 0.000 0.453 273 T N 1.215 115.771 114.554 0.004 0.000 2.746 273 T HA -0.146 4.204 4.350 0.000 0.000 0.267 273 T C 1.638 176.337 174.700 -0.002 0.000 1.039 273 T CA 0.869 62.985 62.100 0.027 0.000 1.142 273 T CB -0.160 68.734 68.868 0.043 0.000 0.866 273 T HN 0.082 nan 8.240 nan 0.000 0.444 274 L N 1.022 122.213 121.223 -0.054 0.000 2.131 274 L HA -0.022 4.319 4.340 0.000 0.000 0.210 274 L C 2.474 179.256 176.870 -0.147 0.000 1.092 274 L CA 1.118 55.883 54.840 -0.124 0.000 0.759 274 L CB -1.008 40.924 42.059 -0.213 0.000 0.903 274 L HN 0.156 nan 8.230 nan 0.000 0.435 275 V N -0.693 119.161 119.914 -0.099 0.000 2.323 275 V HA -0.234 3.887 4.120 0.000 0.000 0.244 275 V C 2.097 178.217 176.094 0.043 0.000 1.041 275 V CA 1.735 63.993 62.300 -0.070 0.000 1.025 275 V CB -0.498 31.349 31.823 0.040 0.000 0.656 275 V HN 0.393 nan 8.190 nan 0.000 0.451 276 D N 0.371 120.854 120.400 0.138 0.000 2.183 276 D HA -0.061 4.579 4.640 0.000 0.000 0.203 276 D C 2.194 178.562 176.300 0.113 0.000 0.969 276 D CA 1.426 55.566 54.000 0.233 0.000 0.842 276 D CB -0.042 40.898 40.800 0.234 0.000 0.957 276 D HN 0.442 nan 8.370 nan 0.000 0.484 277 A N 0.631 123.463 122.820 0.021 0.000 1.898 277 A HA -0.164 4.156 4.320 0.000 0.000 0.216 277 A C 2.519 180.046 177.584 -0.095 0.000 1.181 277 A CA 1.032 53.048 52.037 -0.034 0.000 0.620 277 A CB -0.859 18.107 19.000 -0.057 0.000 0.819 277 A HN 0.312 nan 8.150 nan 0.000 0.442 278 C N -2.794 116.405 119.300 -0.169 0.000 2.435 278 C HA -0.117 4.344 4.460 0.000 0.000 0.279 278 C C 2.400 177.176 174.990 -0.355 0.000 1.321 278 C CA 0.373 59.221 59.018 -0.282 0.000 1.752 278 C CB -1.732 25.774 27.740 -0.389 0.000 1.959 278 C HN 0.822 nan 8.230 nan 0.000 0.500 279 W N 0.939 122.089 121.300 -0.250 0.000 2.379 279 W HA -0.085 4.576 4.660 0.000 0.000 0.307 279 W C 2.693 178.714 176.519 -0.829 0.000 1.200 279 W CA 1.129 58.175 57.345 -0.499 0.000 1.297 279 W CB -0.579 28.673 29.460 -0.347 0.000 1.140 279 W HN 0.236 nan 8.180 nan 0.000 0.507 280 A N 0.421 123.124 122.820 -0.195 0.000 1.917 280 A HA -0.237 4.084 4.320 0.000 0.000 0.219 280 A C 1.814 179.355 177.584 -0.072 0.000 1.182 280 A CA 1.987 53.972 52.037 -0.087 0.000 0.633 280 A CB -1.048 17.969 19.000 0.029 0.000 0.819 280 A HN 0.339 nan 8.150 nan 0.000 0.448 281 I N 0.617 121.129 120.570 -0.097 0.000 2.394 281 I HA -0.224 3.946 4.170 0.000 0.000 0.251 281 I C 2.797 178.896 176.117 -0.029 0.000 1.136 281 I CA 1.420 62.693 61.300 -0.045 0.000 1.425 281 I CB -0.226 37.732 38.000 -0.070 0.000 1.079 281 I HN 0.530 nan 8.210 nan 0.000 0.425 282 S N 0.200 115.829 115.700 -0.118 0.000 2.402 282 S HA -0.167 4.303 4.470 0.000 0.000 0.229 282 S C 2.027 176.715 174.600 0.147 0.000 1.021 282 S CA 0.795 58.980 58.200 -0.025 0.000 0.974 282 S CB -0.821 62.336 63.200 -0.073 0.000 0.800 282 S HN 0.499 nan 8.310 nan 0.000 0.484 283 Y N 1.740 122.136 120.300 0.161 0.000 2.133 283 Y HA 0.029 4.579 4.550 0.000 0.000 0.287 283 Y C 2.548 178.533 175.900 0.141 0.000 1.134 283 Y CA 0.817 59.004 58.100 0.144 0.000 1.133 283 Y CB -0.391 38.148 38.460 0.132 0.000 0.987 283 Y HN 0.189 nan 8.280 nan 0.000 0.502 284 L N -0.673 120.740 121.223 0.317 0.000 2.131 284 L HA -0.220 4.120 4.340 0.000 0.000 0.210 284 L C 2.177 179.198 176.870 0.251 0.000 1.092 284 L CA 1.089 56.121 54.840 0.320 0.000 0.759 284 L CB -0.548 41.678 42.059 0.277 0.000 0.903 284 L HN 0.134 nan 8.230 nan 0.000 0.435 285 S N -1.122 114.680 115.700 0.170 0.000 2.522 285 S HA -0.119 4.351 4.470 0.000 0.000 0.227 285 S C 1.390 176.045 174.600 0.093 0.000 0.986 285 S CA 0.444 58.709 58.200 0.109 0.000 0.929 285 S CB -0.204 63.042 63.200 0.077 0.000 0.769 285 S HN 0.362 nan 8.310 nan 0.000 0.529 286 D N 1.714 122.191 120.400 0.128 0.000 2.352 286 D HA 0.098 4.739 4.640 0.000 0.000 0.232 286 D C 0.951 177.280 176.300 0.048 0.000 1.055 286 D CA 0.002 54.069 54.000 0.111 0.000 0.891 286 D CB -0.105 40.785 40.800 0.150 0.000 0.897 286 D HN 0.414 nan 8.370 nan 0.000 0.529 287 G N 0.721 109.519 108.800 -0.004 0.000 2.606 287 G HA2 0.379 4.340 3.960 0.000 0.000 0.262 287 G HA3 0.379 4.340 3.960 0.000 0.000 0.262 287 G C -2.096 172.736 174.900 -0.114 0.000 1.394 287 G CA -0.650 44.394 45.100 -0.093 0.000 1.044 287 G HN 0.034 nan 8.290 nan 0.000 0.553 288 P HA 0.136 nan 4.420 nan 0.000 0.296 288 P C -0.020 177.196 177.300 -0.141 0.000 1.295 288 P CA -0.078 62.936 63.100 -0.143 0.000 0.754 288 P CB 0.712 32.311 31.700 -0.169 0.000 1.311 289 Q N -0.602 119.132 119.800 -0.110 0.000 2.364 289 Q HA -0.157 4.184 4.340 0.000 0.000 0.207 289 Q C 2.090 178.030 176.000 -0.099 0.000 0.970 289 Q CA 1.682 57.434 55.803 -0.086 0.000 0.888 289 Q CB -0.686 28.015 28.738 -0.061 0.000 0.951 289 Q HN 0.662 nan 8.270 nan 0.000 0.469 290 E N -0.688 119.420 120.200 -0.155 0.000 2.046 290 E HA -0.089 4.261 4.350 0.000 0.000 0.190 290 E C 1.867 178.360 176.600 -0.179 0.000 0.982 290 E CA 0.963 57.269 56.400 -0.156 0.000 0.800 290 E CB -0.349 29.220 29.700 -0.218 0.000 0.756 290 E HN 0.165 nan 8.360 nan 0.000 0.449 291 A N 2.113 124.698 122.820 -0.392 0.000 1.841 291 A HA -0.167 4.153 4.320 0.000 0.000 0.216 291 A C 2.374 179.941 177.584 -0.029 0.000 1.199 291 A CA 1.779 53.578 52.037 -0.396 0.000 0.621 291 A CB -1.022 17.616 19.000 -0.603 0.000 0.835 291 A HN 0.335 nan 8.150 nan 0.000 0.445 292 I N -0.657 119.879 120.570 -0.056 0.000 2.143 292 I HA -0.376 3.794 4.170 0.000 0.000 0.245 292 I C 2.804 178.931 176.117 0.018 0.000 1.068 292 I CA 2.177 63.473 61.300 -0.006 0.000 1.326 292 I CB -0.353 37.629 38.000 -0.029 0.000 1.028 292 I HN 0.464 nan 8.210 nan 0.000 0.412 293 Q N 0.851 120.656 119.800 0.007 0.000 2.224 293 Q HA -0.124 4.217 4.340 0.000 0.000 0.203 293 Q C 2.052 178.090 176.000 0.064 0.000 0.970 293 Q CA 1.871 57.688 55.803 0.025 0.000 0.865 293 Q CB -0.201 28.544 28.738 0.012 0.000 0.922 293 Q HN 0.531 nan 8.270 nan 0.000 0.445 294 A N -0.874 122.018 122.820 0.120 0.000 1.929 294 A HA -0.062 4.258 4.320 0.000 0.000 0.216 294 A C 2.193 179.857 177.584 0.133 0.000 1.176 294 A CA 1.326 53.470 52.037 0.179 0.000 0.628 294 A CB -0.598 18.634 19.000 0.386 0.000 0.816 294 A HN 0.250 nan 8.150 nan 0.000 0.444 295 V N 0.304 120.296 119.914 0.131 0.000 2.407 295 V HA -0.246 3.874 4.120 0.000 0.000 0.248 295 V C 2.352 178.476 176.094 0.049 0.000 1.055 295 V CA 1.954 64.306 62.300 0.086 0.000 1.049 295 V CB -0.617 31.253 31.823 0.077 0.000 0.662 295 V HN 0.572 nan 8.190 nan 0.000 0.455 296 I N -0.163 120.432 120.570 0.043 0.000 2.353 296 I HA -0.151 4.019 4.170 0.000 0.000 0.248 296 I C 2.141 178.274 176.117 0.027 0.000 1.119 296 I CA 1.215 62.530 61.300 0.025 0.000 1.417 296 I CB -0.426 37.583 38.000 0.016 0.000 1.078 296 I HN 0.293 nan 8.210 nan 0.000 0.421 297 D N 0.381 120.802 120.400 0.036 0.000 2.178 297 D HA -0.119 4.522 4.640 0.000 0.000 0.202 297 D C 2.014 178.328 176.300 0.025 0.000 0.974 297 D CA 1.005 55.023 54.000 0.030 0.000 0.841 297 D CB -0.078 40.745 40.800 0.037 0.000 0.953 297 D HN 0.137 nan 8.370 nan 0.000 0.478 298 V N 0.891 120.822 119.914 0.028 0.000 3.630 298 V HA -0.026 4.094 4.120 0.000 0.000 0.273 298 V C -0.046 176.062 176.094 0.023 0.000 1.248 298 V CA 0.389 62.700 62.300 0.018 0.000 1.170 298 V CB -0.937 30.892 31.823 0.010 0.000 0.899 298 V HN 0.277 nan 8.190 nan 0.000 0.457 299 R N -1.125 119.391 120.500 0.028 0.000 3.418 299 R HA -0.192 4.148 4.340 0.000 0.000 0.274 299 R C 0.780 177.113 176.300 0.056 0.000 1.108 299 R CA 0.970 57.092 56.100 0.037 0.000 0.741 299 R CB -2.534 27.788 30.300 0.037 0.000 1.223 299 R HN 0.463 nan 8.270 nan 0.000 0.434 300 I N -0.286 120.305 120.570 0.035 0.000 2.585 300 I HA -0.031 4.139 4.170 0.000 0.000 0.254 300 I C -0.682 175.431 176.117 -0.006 0.000 1.129 300 I CA -0.026 61.286 61.300 0.020 0.000 1.455 300 I CB -0.557 37.443 38.000 0.001 0.000 1.111 300 I HN 0.095 nan 8.210 nan 0.000 0.433 301 P HA -0.264 nan 4.420 nan 0.000 0.217 301 P C 1.496 178.781 177.300 -0.026 0.000 1.158 301 P CA 1.549 64.637 63.100 -0.020 0.000 0.887 301 P CB 0.045 31.737 31.700 -0.013 0.000 0.792 302 K N -0.300 120.097 120.400 -0.005 0.000 2.032 302 K HA -0.197 4.123 4.320 0.000 0.000 0.209 302 K C 2.235 178.813 176.600 -0.036 0.000 1.048 302 K CA 1.686 57.972 56.287 -0.002 0.000 0.927 302 K CB -0.672 31.850 32.500 0.037 0.000 0.712 302 K HN -0.202 nan 8.250 nan 0.000 0.441 303 R N 0.134 120.589 120.500 -0.074 0.000 2.115 303 R HA 0.026 4.366 4.340 0.000 0.000 0.226 303 R C 2.057 178.244 176.300 -0.190 0.000 1.100 303 R CA 1.101 57.065 56.100 -0.227 0.000 0.980 303 R CB -0.868 29.096 30.300 -0.561 0.000 0.875 303 R HN 0.305 nan 8.270 nan 0.000 0.445 304 L N -0.174 120.966 121.223 -0.138 0.000 2.131 304 L HA -0.071 4.270 4.340 0.000 0.000 0.210 304 L C 1.931 178.743 176.870 -0.097 0.000 1.092 304 L CA 1.403 56.171 54.840 -0.121 0.000 0.759 304 L CB -0.315 41.687 42.059 -0.095 0.000 0.903 304 L HN 0.065 nan 8.230 nan 0.000 0.435 305 V N -0.772 119.096 119.914 -0.076 0.000 2.453 305 V HA -0.224 3.896 4.120 0.000 0.000 0.247 305 V C 2.394 178.456 176.094 -0.053 0.000 1.048 305 V CA 1.602 63.867 62.300 -0.057 0.000 1.049 305 V CB -0.418 31.379 31.823 -0.044 0.000 0.672 305 V HN 0.480 nan 8.190 nan 0.000 0.457 306 E N 0.102 120.264 120.200 -0.063 0.000 2.077 306 E HA -0.187 4.163 4.350 0.000 0.000 0.193 306 E C 2.104 178.683 176.600 -0.036 0.000 0.989 306 E CA 1.151 57.520 56.400 -0.051 0.000 0.800 306 E CB -0.185 29.473 29.700 -0.070 0.000 0.746 306 E HN 0.497 nan 8.360 nan 0.000 0.452 307 L N 0.928 122.116 121.223 -0.059 0.000 2.456 307 L HA -0.135 4.205 4.340 0.000 0.000 0.224 307 L C 2.117 178.977 176.870 -0.017 0.000 1.148 307 L CA 0.292 55.111 54.840 -0.035 0.000 0.825 307 L CB -0.222 41.766 42.059 -0.117 0.000 0.937 307 L HN 0.192 nan 8.230 nan 0.000 0.450 308 L N -0.616 120.588 121.223 -0.031 0.000 2.217 308 L HA -0.117 4.223 4.340 0.000 0.000 0.211 308 L C 2.202 179.072 176.870 -0.000 0.000 1.107 308 L CA 1.256 56.081 54.840 -0.025 0.000 0.783 308 L CB -0.276 41.765 42.059 -0.031 0.000 0.919 308 L HN 0.371 nan 8.230 nan 0.000 0.442 309 S N -2.665 113.039 115.700 0.006 0.000 2.582 309 S HA 0.031 4.501 4.470 0.000 0.000 0.234 309 S C 0.678 175.281 174.600 0.005 0.000 0.961 309 S CA -0.601 57.599 58.200 0.001 0.000 0.953 309 S CB -0.505 62.686 63.200 -0.015 0.000 0.800 309 S HN 0.321 nan 8.310 nan 0.000 0.471 310 H N 1.878 120.918 119.070 -0.050 0.000 2.836 310 H HA 0.156 4.712 4.556 0.000 0.000 0.368 310 H C 1.110 176.417 175.328 -0.035 0.000 1.164 310 H CA 0.950 56.969 56.048 -0.048 0.000 1.425 310 H CB 0.618 30.343 29.762 -0.062 0.000 1.414 310 H HN 0.400 nan 8.280 nan 0.000 0.614 311 E N 1.678 121.552 120.200 -0.543 0.000 2.058 311 E HA -0.146 4.204 4.350 0.000 0.000 0.194 311 E C 0.303 176.923 176.600 0.033 0.000 0.997 311 E CA 0.927 57.192 56.400 -0.226 0.000 0.801 311 E CB 0.032 29.548 29.700 -0.307 0.000 0.746 311 E HN 0.413 nan 8.360 nan 0.000 0.450 312 S N -0.659 115.209 115.700 0.280 0.000 2.537 312 S HA 0.057 4.527 4.470 0.000 0.000 0.275 312 S C 0.975 175.652 174.600 0.128 0.000 1.272 312 S CA -0.030 58.285 58.200 0.191 0.000 1.050 312 S CB 1.446 64.752 63.200 0.177 0.000 0.961 312 S HN 0.282 nan 8.310 nan 0.000 0.496 313 T N 3.452 118.045 114.554 0.064 0.000 3.118 313 T HA 0.089 4.439 4.350 0.000 0.000 0.260 313 T C 1.575 176.284 174.700 0.016 0.000 1.139 313 T CA 0.467 62.587 62.100 0.034 0.000 1.085 313 T CB -0.392 68.495 68.868 0.033 0.000 0.934 313 T HN 0.601 nan 8.240 nan 0.000 0.518 314 L N 0.288 121.523 121.223 0.020 0.000 2.313 314 L HA 0.089 4.429 4.340 0.000 0.000 0.214 314 L C 2.535 179.362 176.870 -0.072 0.000 1.119 314 L CA 0.335 55.188 54.840 0.021 0.000 0.809 314 L CB -0.278 41.806 42.059 0.042 0.000 0.933 314 L HN 0.199 nan 8.230 nan 0.000 0.449 315 V N -0.916 118.922 119.914 -0.125 0.000 2.426 315 V HA -0.149 3.972 4.120 0.000 0.000 0.242 315 V C 2.288 178.247 176.094 -0.224 0.000 1.036 315 V CA 1.050 63.200 62.300 -0.250 0.000 1.044 315 V CB -0.270 31.296 31.823 -0.427 0.000 0.688 315 V HN 0.382 nan 8.190 nan 0.000 0.462 316 Q N 0.017 119.746 119.800 -0.118 0.000 2.112 316 Q HA -0.218 4.123 4.340 0.000 0.000 0.206 316 Q C 2.317 178.236 176.000 -0.135 0.000 0.987 316 Q CA 2.284 58.031 55.803 -0.093 0.000 0.858 316 Q CB -0.437 28.285 28.738 -0.026 0.000 0.905 316 Q HN 0.618 nan 8.270 nan 0.000 0.420 317 T N 1.567 116.034 114.554 -0.145 0.000 2.622 317 T HA -0.125 4.225 4.350 0.000 0.000 0.266 317 T C -0.953 173.540 174.700 -0.344 0.000 1.047 317 T CA 1.713 63.719 62.100 -0.157 0.000 1.159 317 T CB -1.147 67.689 68.868 -0.053 0.000 0.863 317 T HN 0.357 nan 8.240 nan 0.000 0.422 318 P HA 0.107 nan 4.420 nan 0.000 0.222 318 P C 1.305 178.285 177.300 -0.533 0.000 1.153 318 P CA 1.084 63.549 63.100 -1.058 0.000 0.798 318 P CB -0.055 30.439 31.700 -2.010 0.000 0.796 319 A N 0.237 122.826 122.820 -0.386 0.000 1.897 319 A HA -0.121 4.200 4.320 0.000 0.000 0.215 319 A C 2.210 179.706 177.584 -0.147 0.000 1.181 319 A CA 1.212 53.106 52.037 -0.239 0.000 0.620 319 A CB -1.555 17.326 19.000 -0.197 0.000 0.821 319 A HN 0.167 nan 8.150 nan 0.000 0.443 320 L N -0.179 120.973 121.223 -0.119 0.000 2.027 320 L HA -0.089 4.251 4.340 0.000 0.000 0.206 320 L C 2.367 179.258 176.870 0.035 0.000 1.074 320 L CA 2.429 57.250 54.840 -0.032 0.000 0.745 320 L CB -0.715 41.342 42.059 -0.003 0.000 0.898 320 L HN 0.384 nan 8.230 nan 0.000 0.433 321 R N 0.384 120.892 120.500 0.012 0.000 2.083 321 R HA -0.092 4.248 4.340 0.000 0.000 0.237 321 R C 2.134 178.505 176.300 0.117 0.000 1.137 321 R CA 1.943 58.119 56.100 0.127 0.000 0.951 321 R CB -1.145 29.181 30.300 0.044 0.000 0.851 321 R HN 0.479 nan 8.270 nan 0.000 0.434 322 A N -0.249 122.564 122.820 -0.012 0.000 1.883 322 A HA -0.106 4.214 4.320 0.000 0.000 0.217 322 A C 2.398 179.976 177.584 -0.010 0.000 1.186 322 A CA 1.864 53.892 52.037 -0.015 0.000 0.624 322 A CB -0.842 18.107 19.000 -0.085 0.000 0.822 322 A HN 0.197 nan 8.150 nan 0.000 0.444 323 V N -0.083 119.810 119.914 -0.035 0.000 2.490 323 V HA -0.167 3.953 4.120 0.000 0.000 0.250 323 V C 2.716 178.759 176.094 -0.085 0.000 1.061 323 V CA 1.801 64.068 62.300 -0.055 0.000 1.064 323 V CB -1.254 30.533 31.823 -0.061 0.000 0.670 323 V HN 0.643 nan 8.190 nan 0.000 0.461 324 G N 0.237 109.005 108.800 -0.052 0.000 2.404 324 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 324 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 324 G C 1.410 176.163 174.900 -0.245 0.000 1.174 324 G CA 0.779 45.733 45.100 -0.244 0.000 0.780 324 G HN 0.525 nan 8.290 nan 0.000 0.537 325 N N 0.836 119.569 118.700 0.055 0.000 2.166 325 N HA -0.061 4.679 4.740 0.000 0.000 0.186 325 N C 2.215 177.711 175.510 -0.023 0.000 1.019 325 N CA 0.791 53.890 53.050 0.081 0.000 0.856 325 N CB -0.254 38.313 38.487 0.134 0.000 0.993 325 N HN 0.352 nan 8.380 nan 0.000 0.426 326 I N 1.030 121.575 120.570 -0.043 0.000 2.264 326 I HA -0.181 3.989 4.170 0.000 0.000 0.248 326 I C 1.738 177.802 176.117 -0.088 0.000 1.111 326 I CA 0.901 62.169 61.300 -0.052 0.000 1.382 326 I CB -0.231 37.742 38.000 -0.045 0.000 1.060 326 I HN -0.002 nan 8.210 nan 0.000 0.418 327 V N -1.947 117.878 119.914 -0.147 0.000 3.630 327 V HA 0.006 4.126 4.120 0.000 0.000 0.273 327 V C 1.858 177.843 176.094 -0.183 0.000 1.248 327 V CA 1.123 63.321 62.300 -0.169 0.000 1.170 327 V CB -1.538 30.157 31.823 -0.214 0.000 0.899 327 V HN 0.500 nan 8.190 nan 0.000 0.457 328 T N -2.753 111.710 114.554 -0.152 0.000 3.129 328 T HA 0.336 4.686 4.350 0.000 0.000 0.251 328 T C 1.140 175.797 174.700 -0.072 0.000 1.117 328 T CA 0.528 62.560 62.100 -0.112 0.000 1.034 328 T CB -0.048 68.794 68.868 -0.044 0.000 0.968 328 T HN 0.672 nan 8.240 nan 0.000 0.526 329 G N 2.291 111.049 108.800 -0.070 0.000 2.516 329 G HA2 0.421 4.381 3.960 0.000 0.000 0.276 329 G HA3 0.421 4.381 3.960 0.000 0.000 0.276 329 G C 0.113 174.984 174.900 -0.049 0.000 1.390 329 G CA -0.644 44.424 45.100 -0.053 0.000 1.050 329 G HN 0.645 nan 8.290 nan 0.000 0.519 330 N N -1.331 117.346 118.700 -0.039 0.000 2.322 330 N HA 0.140 4.880 4.740 0.000 0.000 0.270 330 N C 0.408 175.898 175.510 -0.034 0.000 1.286 330 N CA 0.037 53.068 53.050 -0.033 0.000 0.948 330 N CB 0.380 38.852 38.487 -0.026 0.000 1.164 330 N HN 0.302 nan 8.380 nan 0.000 0.551 331 D N -0.879 119.505 120.400 -0.027 0.000 2.144 331 D HA -0.057 4.583 4.640 0.000 0.000 0.199 331 D C 1.653 177.938 176.300 -0.025 0.000 0.984 331 D CA 1.088 55.072 54.000 -0.026 0.000 0.834 331 D CB -0.139 40.650 40.800 -0.019 0.000 0.955 331 D HN 0.423 nan 8.370 nan 0.000 0.465 332 L N 0.263 121.474 121.223 -0.021 0.000 2.056 332 L HA -0.178 4.163 4.340 0.000 0.000 0.207 332 L C 2.393 179.250 176.870 -0.021 0.000 1.078 332 L CA 1.123 55.952 54.840 -0.019 0.000 0.749 332 L CB -0.379 41.672 42.059 -0.014 0.000 0.901 332 L HN 0.083 nan 8.230 nan 0.000 0.433 333 Q N -0.711 119.075 119.800 -0.025 0.000 2.084 333 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 333 Q C 2.149 178.128 176.000 -0.035 0.000 0.978 333 Q CA 1.991 57.778 55.803 -0.027 0.000 0.844 333 Q CB -0.344 28.376 28.738 -0.030 0.000 0.898 333 Q HN 0.456 nan 8.270 nan 0.000 0.426 334 T N 1.079 115.607 114.554 -0.043 0.000 2.759 334 T HA -0.168 4.182 4.350 0.000 0.000 0.269 334 T C 1.804 176.477 174.700 -0.044 0.000 1.042 334 T CA 0.977 63.045 62.100 -0.054 0.000 1.140 334 T CB -0.127 68.705 68.868 -0.060 0.000 0.864 334 T HN 0.183 nan 8.240 nan 0.000 0.455 335 Q N 0.499 120.279 119.800 -0.034 0.000 2.170 335 Q HA -0.063 4.277 4.340 0.000 0.000 0.203 335 Q C 2.561 178.546 176.000 -0.025 0.000 0.976 335 Q CA 0.910 56.696 55.803 -0.028 0.000 0.858 335 Q CB -0.624 28.101 28.738 -0.022 0.000 0.907 335 Q HN 0.410 nan 8.270 nan 0.000 0.433 336 V N -0.006 119.894 119.914 -0.024 0.000 2.287 336 V HA -0.238 3.882 4.120 0.000 0.000 0.248 336 V C 2.457 178.537 176.094 -0.023 0.000 1.053 336 V CA 1.535 63.824 62.300 -0.019 0.000 1.027 336 V CB -0.612 31.202 31.823 -0.016 0.000 0.646 336 V HN 0.115 nan 8.190 nan 0.000 0.447 337 V N -0.254 119.640 119.914 -0.032 0.000 2.427 337 V HA -0.235 3.885 4.120 0.000 0.000 0.248 337 V C 2.150 178.222 176.094 -0.036 0.000 1.051 337 V CA 1.952 64.229 62.300 -0.038 0.000 1.048 337 V CB -0.486 31.305 31.823 -0.053 0.000 0.666 337 V HN 0.450 nan 8.190 nan 0.000 0.456 338 I N 0.626 121.175 120.570 -0.036 0.000 2.179 338 I HA -0.215 3.955 4.170 0.000 0.000 0.242 338 I C 2.192 178.293 176.117 -0.025 0.000 1.088 338 I CA 1.439 62.720 61.300 -0.032 0.000 1.357 338 I CB -0.546 37.435 38.000 -0.032 0.000 1.051 338 I HN 0.367 nan 8.210 nan 0.000 0.409 339 N N 1.267 119.954 118.700 -0.022 0.000 2.453 339 N HA -0.078 4.663 4.740 0.000 0.000 0.183 339 N C 1.499 177.001 175.510 -0.014 0.000 1.041 339 N CA 1.164 54.204 53.050 -0.016 0.000 0.900 339 N CB -0.160 38.319 38.487 -0.013 0.000 0.961 339 N HN 0.336 nan 8.380 nan 0.000 0.443 340 A N -0.035 122.775 122.820 -0.016 0.000 2.251 340 A HA 0.423 4.744 4.320 0.000 0.000 0.209 340 A C 1.412 178.986 177.584 -0.017 0.000 1.187 340 A CA 0.525 52.554 52.037 -0.014 0.000 0.823 340 A CB -0.304 18.686 19.000 -0.017 0.000 0.846 340 A HN 0.259 nan 8.150 nan 0.000 0.486 341 G N -1.383 107.405 108.800 -0.019 0.000 2.137 341 G HA2 -0.236 3.724 3.960 0.000 0.000 0.237 341 G HA3 -0.236 3.724 3.960 0.000 0.000 0.237 341 G C 0.955 175.841 174.900 -0.023 0.000 1.002 341 G CA 0.603 45.692 45.100 -0.019 0.000 0.702 341 G HN 0.995 nan 8.290 nan 0.000 0.515 342 V N 0.190 120.087 119.914 -0.029 0.000 2.469 342 V HA -0.117 4.003 4.120 0.000 0.000 0.251 342 V C 2.702 178.779 176.094 -0.029 0.000 1.064 342 V CA 2.728 65.008 62.300 -0.033 0.000 1.066 342 V CB -0.245 31.552 31.823 -0.043 0.000 0.667 342 V HN 0.572 nan 8.190 nan 0.000 0.461 343 L N -0.038 121.169 121.223 -0.026 0.000 2.017 343 L HA -0.090 4.251 4.340 0.000 0.000 0.208 343 L C 0.188 177.049 176.870 -0.015 0.000 1.073 343 L CA 1.860 56.688 54.840 -0.021 0.000 0.745 343 L CB -2.007 40.039 42.059 -0.021 0.000 0.894 343 L HN 0.333 nan 8.230 nan 0.000 0.432 344 P HA -0.148 nan 4.420 nan 0.000 0.217 344 P C 1.475 178.769 177.300 -0.010 0.000 1.150 344 P CA 1.647 64.741 63.100 -0.010 0.000 0.832 344 P CB 0.005 31.698 31.700 -0.011 0.000 0.787 345 A N -0.585 122.226 122.820 -0.014 0.000 1.933 345 A HA -0.165 4.155 4.320 0.000 0.000 0.218 345 A C 2.151 179.729 177.584 -0.009 0.000 1.175 345 A CA 1.418 53.447 52.037 -0.013 0.000 0.628 345 A CB -1.675 17.313 19.000 -0.019 0.000 0.814 345 A HN 0.128 nan 8.150 nan 0.000 0.444 346 L N -1.196 120.021 121.223 -0.010 0.000 2.201 346 L HA -0.124 4.216 4.340 0.000 0.000 0.212 346 L C 2.722 179.595 176.870 0.005 0.000 1.105 346 L CA 1.358 56.196 54.840 -0.003 0.000 0.775 346 L CB -0.369 41.685 42.059 -0.008 0.000 0.913 346 L HN 0.456 nan 8.230 nan 0.000 0.440 347 R N 0.503 121.005 120.500 0.003 0.000 2.092 347 R HA -0.140 4.200 4.340 0.000 0.000 0.231 347 R C 2.278 178.583 176.300 0.008 0.000 1.119 347 R CA 1.218 57.323 56.100 0.008 0.000 0.970 347 R CB -0.115 30.189 30.300 0.007 0.000 0.864 347 R HN 0.315 nan 8.270 nan 0.000 0.440 348 L N 0.587 121.812 121.223 0.004 0.000 2.056 348 L HA -0.170 4.170 4.340 0.000 0.000 0.207 348 L C 2.310 179.185 176.870 0.007 0.000 1.078 348 L CA 1.093 55.935 54.840 0.003 0.000 0.749 348 L CB -0.342 41.716 42.059 -0.002 0.000 0.901 348 L HN 0.274 nan 8.230 nan 0.000 0.433 349 L N -0.496 120.732 121.223 0.008 0.000 2.275 349 L HA -0.184 4.156 4.340 0.000 0.000 0.215 349 L C 2.303 179.186 176.870 0.021 0.000 1.119 349 L CA 0.690 55.538 54.840 0.014 0.000 0.790 349 L CB -0.351 41.717 42.059 0.015 0.000 0.919 349 L HN 0.317 nan 8.230 nan 0.000 0.443 350 L N -1.125 120.111 121.223 0.021 0.000 2.465 350 L HA -0.081 4.259 4.340 0.000 0.000 0.224 350 L C 1.613 178.496 176.870 0.022 0.000 1.145 350 L CA 0.561 55.416 54.840 0.026 0.000 0.834 350 L CB -0.103 41.972 42.059 0.026 0.000 0.944 350 L HN 0.130 nan 8.230 nan 0.000 0.451 351 S N -1.255 114.455 115.700 0.017 0.000 2.574 351 S HA 0.067 4.538 4.470 0.000 0.000 0.242 351 S C 0.619 175.227 174.600 0.014 0.000 0.982 351 S CA -0.189 58.019 58.200 0.014 0.000 0.977 351 S CB 0.295 63.501 63.200 0.010 0.000 0.814 351 S HN 0.248 nan 8.310 nan 0.000 0.464 352 S N 3.612 119.322 115.700 0.017 0.000 2.533 352 S HA 0.158 4.628 4.470 0.000 0.000 0.282 352 S C -1.035 173.575 174.600 0.017 0.000 1.304 352 S CA -1.369 56.841 58.200 0.016 0.000 1.063 352 S CB 0.754 63.966 63.200 0.019 0.000 0.881 352 S HN 0.187 nan 8.310 nan 0.000 0.493 353 P HA -0.069 nan 4.420 nan 0.000 0.221 353 P C -0.070 177.241 177.300 0.018 0.000 1.145 353 P CA 0.656 63.765 63.100 0.015 0.000 0.795 353 P CB -0.016 31.692 31.700 0.013 0.000 0.775 354 K N 0.680 121.092 120.400 0.021 0.000 2.276 354 K HA 0.080 4.401 4.320 0.000 0.000 0.283 354 K C 1.175 177.790 176.600 0.026 0.000 1.044 354 K CA -0.123 56.178 56.287 0.024 0.000 0.944 354 K CB 1.072 33.588 32.500 0.027 0.000 1.012 354 K HN 0.055 nan 8.250 nan 0.000 0.472 355 E N 1.902 122.118 120.200 0.026 0.000 2.112 355 E HA -0.131 4.219 4.350 0.000 0.000 0.190 355 E C 1.650 178.269 176.600 0.031 0.000 0.979 355 E CA 1.245 57.661 56.400 0.027 0.000 0.814 355 E CB -0.100 29.614 29.700 0.024 0.000 0.762 355 E HN 0.592 nan 8.360 nan 0.000 0.460 356 N N 0.100 118.819 118.700 0.030 0.000 2.396 356 N HA -0.071 4.669 4.740 0.000 0.000 0.180 356 N C 1.635 177.168 175.510 0.039 0.000 1.028 356 N CA 0.578 53.646 53.050 0.031 0.000 0.893 356 N CB 0.078 38.582 38.487 0.030 0.000 0.967 356 N HN 0.269 nan 8.380 nan 0.000 0.440 357 I N 0.816 121.409 120.570 0.038 0.000 2.406 357 I HA -0.182 3.988 4.170 0.000 0.000 0.249 357 I C 2.109 178.258 176.117 0.052 0.000 1.122 357 I CA 0.776 62.101 61.300 0.041 0.000 1.431 357 I CB -0.012 38.006 38.000 0.030 0.000 1.087 357 I HN 0.037 nan 8.210 nan 0.000 0.424 358 K N 0.870 121.298 120.400 0.047 0.000 2.057 358 K HA -0.214 4.106 4.320 0.000 0.000 0.206 358 K C 2.154 178.798 176.600 0.073 0.000 1.050 358 K CA 1.183 57.502 56.287 0.053 0.000 0.935 358 K CB -0.134 32.392 32.500 0.043 0.000 0.715 358 K HN 0.186 nan 8.250 nan 0.000 0.439 359 K N 1.539 121.981 120.400 0.070 0.000 2.026 359 K HA -0.182 4.139 4.320 0.000 0.000 0.208 359 K C 1.750 178.432 176.600 0.136 0.000 1.048 359 K CA 1.496 57.834 56.287 0.085 0.000 0.929 359 K CB 0.117 32.648 32.500 0.051 0.000 0.713 359 K HN 0.107 nan 8.250 nan 0.000 0.439 360 E N -0.142 120.138 120.200 0.133 0.000 2.208 360 E HA -0.127 4.223 4.350 0.000 0.000 0.193 360 E C 1.833 178.599 176.600 0.278 0.000 0.988 360 E CA 0.817 57.364 56.400 0.245 0.000 0.828 360 E CB 0.076 29.883 29.700 0.178 0.000 0.763 360 E HN 0.436 nan 8.360 nan 0.000 0.478 361 A N 0.656 123.569 122.820 0.155 0.000 1.968 361 A HA -0.113 4.207 4.320 0.000 0.000 0.217 361 A C 2.439 180.082 177.584 0.099 0.000 1.169 361 A CA 0.691 52.789 52.037 0.100 0.000 0.638 361 A CB -0.567 18.471 19.000 0.062 0.000 0.812 361 A HN 0.280 nan 8.150 nan 0.000 0.446 362 C N -2.540 116.839 119.300 0.131 0.000 2.466 362 C HA -0.095 4.366 4.460 0.000 0.000 0.278 362 C C 2.313 177.405 174.990 0.170 0.000 1.288 362 C CA 0.595 59.692 59.018 0.131 0.000 1.722 362 C CB -1.453 26.370 27.740 0.139 0.000 2.017 362 C HN 0.885 nan 8.230 nan 0.000 0.488 363 W N 1.951 123.260 121.300 0.016 0.000 2.317 363 W HA -0.194 4.466 4.660 0.000 0.000 0.318 363 W C 2.304 178.811 176.519 -0.020 0.000 1.227 363 W CA 2.472 59.809 57.345 -0.013 0.000 1.269 363 W CB -0.988 28.454 29.460 -0.030 0.000 1.155 363 W HN 0.194 nan 8.180 nan 0.000 0.484 364 T N 1.500 115.948 114.554 -0.176 0.000 2.720 364 T HA -0.245 4.105 4.350 0.000 0.000 0.268 364 T C 1.862 176.403 174.700 -0.265 0.000 1.037 364 T CA 2.327 64.181 62.100 -0.411 0.000 1.144 364 T CB -0.470 68.287 68.868 -0.186 0.000 0.864 364 T HN 0.214 nan 8.240 nan 0.000 0.444 365 I N 1.743 122.246 120.570 -0.111 0.000 2.315 365 I HA -0.167 4.003 4.170 0.000 0.000 0.248 365 I C 2.786 178.869 176.117 -0.056 0.000 1.117 365 I CA 1.242 62.505 61.300 -0.063 0.000 1.404 365 I CB -0.470 37.529 38.000 -0.002 0.000 1.071 365 I HN 0.327 nan 8.210 nan 0.000 0.419 366 S N 0.907 116.581 115.700 -0.042 0.000 2.382 366 S HA -0.156 4.314 4.470 0.000 0.000 0.228 366 S C 1.735 176.297 174.600 -0.065 0.000 1.027 366 S CA 1.160 59.367 58.200 0.012 0.000 0.991 366 S CB -0.513 62.750 63.200 0.106 0.000 0.823 366 S HN 0.424 nan 8.310 nan 0.000 0.469 367 N N 1.304 119.877 118.700 -0.210 0.000 2.512 367 N HA 0.213 4.953 4.740 0.000 0.000 0.183 367 N C 1.452 176.873 175.510 -0.147 0.000 1.073 367 N CA 0.754 53.671 53.050 -0.221 0.000 0.911 367 N CB -0.243 38.012 38.487 -0.387 0.000 0.964 367 N HN 0.544 nan 8.380 nan 0.000 0.447 368 I N 0.267 120.764 120.570 -0.122 0.000 2.703 368 I HA -0.102 4.069 4.170 0.000 0.000 0.259 368 I C 1.731 177.824 176.117 -0.040 0.000 1.151 368 I CA 0.868 62.119 61.300 -0.082 0.000 1.470 368 I CB -0.168 37.786 38.000 -0.077 0.000 1.112 368 I HN 0.087 nan 8.210 nan 0.000 0.437 369 T N -1.187 113.356 114.554 -0.018 0.000 3.160 369 T HA 0.162 4.512 4.350 0.000 0.000 0.257 369 T C 1.504 176.219 174.700 0.025 0.000 1.147 369 T CA 0.591 62.699 62.100 0.013 0.000 1.064 369 T CB 0.001 68.892 68.868 0.039 0.000 0.949 369 T HN 0.263 nan 8.240 nan 0.000 0.526 370 A N 0.775 123.602 122.820 0.012 0.000 2.251 370 A HA 0.654 4.975 4.320 0.000 0.000 0.209 370 A C 1.476 179.063 177.584 0.005 0.000 1.187 370 A CA 0.079 52.130 52.037 0.024 0.000 0.823 370 A CB -0.659 18.349 19.000 0.014 0.000 0.846 370 A HN 0.590 nan 8.150 nan 0.000 0.486 371 G N 0.597 109.393 108.800 -0.007 0.000 2.582 371 G HA2 0.346 4.306 3.960 0.000 0.000 0.232 371 G HA3 0.346 4.306 3.960 0.000 0.000 0.232 371 G C 0.143 175.041 174.900 -0.003 0.000 1.458 371 G CA -0.040 45.053 45.100 -0.012 0.000 1.062 371 G HN 0.625 nan 8.290 nan 0.000 0.566 372 N N -2.001 116.694 118.700 -0.007 0.000 2.413 372 N HA 0.249 4.989 4.740 0.000 0.000 0.266 372 N C 1.104 176.612 175.510 -0.003 0.000 1.238 372 N CA 0.234 53.282 53.050 -0.004 0.000 0.972 372 N CB 0.072 38.556 38.487 -0.006 0.000 1.210 372 N HN 0.244 nan 8.380 nan 0.000 0.547 373 T N -1.214 113.339 114.554 -0.002 0.000 2.624 373 T HA -0.253 4.097 4.350 0.000 0.000 0.268 373 T C 1.989 176.683 174.700 -0.010 0.000 1.041 373 T CA 2.746 64.845 62.100 -0.003 0.000 1.159 373 T CB -1.168 67.699 68.868 -0.002 0.000 0.863 373 T HN 0.749 nan 8.240 nan 0.000 0.434 374 E N 1.654 121.846 120.200 -0.013 0.000 2.118 374 E HA -0.254 4.097 4.350 0.000 0.000 0.195 374 E C 1.977 178.564 176.600 -0.021 0.000 0.992 374 E CA 1.652 58.041 56.400 -0.018 0.000 0.804 374 E CB -1.041 28.649 29.700 -0.017 0.000 0.741 374 E HN 0.791 nan 8.360 nan 0.000 0.458 375 Q N -0.703 119.086 119.800 -0.019 0.000 2.123 375 Q HA 0.084 4.424 4.340 0.000 0.000 0.199 375 Q C 2.509 178.497 176.000 -0.019 0.000 0.966 375 Q CA 1.270 57.060 55.803 -0.022 0.000 0.845 375 Q CB -0.094 28.630 28.738 -0.023 0.000 0.907 375 Q HN 0.621 nan 8.270 nan 0.000 0.439 376 I N 0.642 121.205 120.570 -0.012 0.000 2.252 376 I HA -0.273 3.897 4.170 0.000 0.000 0.245 376 I C 2.527 178.635 176.117 -0.016 0.000 1.102 376 I CA 1.034 62.332 61.300 -0.003 0.000 1.385 376 I CB -0.151 37.854 38.000 0.009 0.000 1.064 376 I HN 0.199 nan 8.210 nan 0.000 0.414 377 Q N 1.401 121.185 119.800 -0.027 0.000 2.124 377 Q HA -0.167 4.174 4.340 0.000 0.000 0.202 377 Q C 2.124 178.088 176.000 -0.060 0.000 0.977 377 Q CA 2.138 57.910 55.803 -0.052 0.000 0.850 377 Q CB -0.246 28.463 28.738 -0.047 0.000 0.901 377 Q HN 0.499 nan 8.270 nan 0.000 0.429 378 A N -0.772 122.023 122.820 -0.042 0.000 1.930 378 A HA -0.091 4.229 4.320 0.000 0.000 0.217 378 A C 2.256 179.817 177.584 -0.037 0.000 1.175 378 A CA 1.432 53.444 52.037 -0.040 0.000 0.627 378 A CB -0.741 18.240 19.000 -0.032 0.000 0.815 378 A HN 0.264 nan 8.150 nan 0.000 0.443 379 V N 0.296 120.193 119.914 -0.027 0.000 2.343 379 V HA -0.283 3.837 4.120 0.000 0.000 0.247 379 V C 2.423 178.509 176.094 -0.012 0.000 1.051 379 V CA 2.066 64.358 62.300 -0.012 0.000 1.036 379 V CB -0.642 31.183 31.823 0.003 0.000 0.654 379 V HN 0.576 nan 8.190 nan 0.000 0.451 380 I N 0.066 120.613 120.570 -0.039 0.000 2.163 380 I HA -0.253 3.917 4.170 0.000 0.000 0.243 380 I C 2.337 178.374 176.117 -0.134 0.000 1.085 380 I CA 1.776 63.016 61.300 -0.101 0.000 1.347 380 I CB -0.545 37.310 38.000 -0.243 0.000 1.044 380 I HN 0.351 nan 8.210 nan 0.000 0.408 381 D N 1.191 121.519 120.400 -0.121 0.000 2.149 381 D HA -0.161 4.479 4.640 0.000 0.000 0.198 381 D C 2.095 178.364 176.300 -0.051 0.000 0.990 381 D CA 1.524 55.467 54.000 -0.095 0.000 0.839 381 D CB -0.189 40.566 40.800 -0.075 0.000 0.948 381 D HN 0.366 nan 8.370 nan 0.000 0.460 382 A N 0.353 123.153 122.820 -0.034 0.000 2.248 382 A HA -0.141 4.180 4.320 0.000 0.000 0.210 382 A C 0.883 178.467 177.584 0.001 0.000 1.174 382 A CA 0.437 52.465 52.037 -0.015 0.000 0.750 382 A CB -0.378 18.615 19.000 -0.012 0.000 0.780 382 A HN 0.269 nan 8.150 nan 0.000 0.478 383 N N -2.179 116.526 118.700 0.009 0.000 2.776 383 N HA -0.149 4.591 4.740 0.000 0.000 0.249 383 N C 0.248 175.791 175.510 0.055 0.000 1.111 383 N CA 0.657 53.733 53.050 0.043 0.000 0.711 383 N CB -0.929 37.577 38.487 0.031 0.000 1.065 383 N HN 0.289 nan 8.380 nan 0.000 0.556 384 L N 0.440 121.695 121.223 0.053 0.000 2.418 384 L HA 0.107 4.447 4.340 0.000 0.000 0.218 384 L C 2.282 179.193 176.870 0.068 0.000 1.125 384 L CA 0.659 55.530 54.840 0.051 0.000 0.835 384 L CB -0.295 41.785 42.059 0.036 0.000 0.953 384 L HN 0.312 nan 8.230 nan 0.000 0.454 385 I N 0.358 120.994 120.570 0.111 0.000 2.252 385 I HA -0.127 4.043 4.170 0.000 0.000 0.245 385 I C -0.033 176.108 176.117 0.039 0.000 1.102 385 I CA 1.153 62.510 61.300 0.095 0.000 1.385 385 I CB -2.347 35.754 38.000 0.168 0.000 1.064 385 I HN 0.163 nan 8.210 nan 0.000 0.414 386 P HA -0.126 nan 4.420 nan 0.000 0.214 386 P C -1.182 176.121 177.300 0.006 0.000 1.163 386 P CA 2.147 65.250 63.100 0.006 0.000 0.889 386 P CB -1.265 30.448 31.700 0.021 0.000 0.790 387 P HA -0.072 nan 4.420 nan 0.000 0.229 387 P C 1.427 178.739 177.300 0.020 0.000 1.160 387 P CA 0.942 64.052 63.100 0.017 0.000 0.777 387 P CB -0.130 31.583 31.700 0.021 0.000 0.814 388 L N -0.393 120.845 121.223 0.025 0.000 2.209 388 L HA 0.010 4.350 4.340 0.000 0.000 0.207 388 L C 2.489 179.371 176.870 0.019 0.000 1.094 388 L CA 1.171 56.029 54.840 0.031 0.000 0.790 388 L CB -1.023 41.061 42.059 0.041 0.000 0.932 388 L HN -0.244 nan 8.230 nan 0.000 0.447 389 V N 0.076 119.991 119.914 0.003 0.000 2.379 389 V HA -0.243 3.877 4.120 0.000 0.000 0.245 389 V C 2.949 179.036 176.094 -0.012 0.000 1.044 389 V CA 2.000 64.291 62.300 -0.015 0.000 1.036 389 V CB -0.970 30.827 31.823 -0.043 0.000 0.664 389 V HN 0.548 nan 8.190 nan 0.000 0.453 390 K N 0.047 120.443 120.400 -0.008 0.000 2.026 390 K HA -0.128 4.192 4.320 0.000 0.000 0.208 390 K C 2.016 178.618 176.600 0.003 0.000 1.048 390 K CA 1.967 58.251 56.287 -0.006 0.000 0.929 390 K CB -1.039 31.459 32.500 -0.003 0.000 0.713 390 K HN 0.504 nan 8.250 nan 0.000 0.439 391 L N 0.028 121.258 121.223 0.013 0.000 2.127 391 L HA -0.073 4.267 4.340 0.000 0.000 0.211 391 L C 2.724 179.607 176.870 0.022 0.000 1.089 391 L CA 0.886 55.739 54.840 0.021 0.000 0.757 391 L CB -0.249 41.830 42.059 0.032 0.000 0.899 391 L HN 0.360 nan 8.230 nan 0.000 0.434 392 L N 0.005 121.238 121.223 0.017 0.000 2.275 392 L HA -0.191 4.149 4.340 0.000 0.000 0.215 392 L C 2.482 179.355 176.870 0.006 0.000 1.119 392 L CA 1.353 56.201 54.840 0.014 0.000 0.790 392 L CB -0.038 42.024 42.059 0.006 0.000 0.919 392 L HN 0.473 nan 8.230 nan 0.000 0.443 393 E N -0.603 119.597 120.200 0.001 0.000 2.244 393 E HA -0.016 4.335 4.350 0.000 0.000 0.196 393 E C 0.725 177.325 176.600 0.001 0.000 0.939 393 E CA 0.479 56.877 56.400 -0.003 0.000 0.884 393 E CB 0.220 29.913 29.700 -0.011 0.000 0.850 393 E HN 0.253 nan 8.360 nan 0.000 0.481 394 V N -0.917 118.999 119.914 0.004 0.000 2.320 394 V HA 0.864 4.984 4.120 0.000 0.000 0.257 394 V C -0.326 175.775 176.094 0.011 0.000 0.996 394 V CA -0.320 61.984 62.300 0.006 0.000 0.928 394 V CB 0.201 32.026 31.823 0.003 0.000 1.169 394 V HN 0.398 nan 8.190 nan 0.000 0.475 395 A N 1.473 124.302 122.820 0.015 0.000 2.599 395 A HA 0.896 5.216 4.320 0.000 0.000 0.290 395 A C -0.063 177.534 177.584 0.022 0.000 1.101 395 A CA -0.082 51.967 52.037 0.020 0.000 0.674 395 A CB 0.774 19.789 19.000 0.026 0.000 1.277 395 A HN 1.537 nan 8.150 nan 0.000 0.419 396 E N 0.260 120.474 120.200 0.023 0.000 2.529 396 E HA 0.212 4.563 4.350 0.000 0.000 0.259 396 E C 0.328 176.945 176.600 0.029 0.000 0.966 396 E CA 0.651 57.065 56.400 0.023 0.000 0.937 396 E CB -0.372 29.341 29.700 0.023 0.000 0.923 396 E HN 0.589 nan 8.360 nan 0.000 0.468 397 D N 2.059 122.475 120.400 0.026 0.000 2.220 397 D HA -0.201 4.439 4.640 0.000 0.000 0.198 397 D C 2.331 178.657 176.300 0.043 0.000 1.001 397 D CA 2.815 56.834 54.000 0.031 0.000 0.875 397 D CB -0.036 40.780 40.800 0.026 0.000 0.921 397 D HN 0.700 nan 8.370 nan 0.000 0.454 398 K N -0.071 120.353 120.400 0.039 0.000 2.148 398 K HA -0.067 4.253 4.320 0.000 0.000 0.204 398 K C 2.250 178.887 176.600 0.062 0.000 1.050 398 K CA 1.675 57.990 56.287 0.046 0.000 0.942 398 K CB -1.187 31.329 32.500 0.027 0.000 0.724 398 K HN 0.216 nan 8.250 nan 0.000 0.446 399 T N 0.638 115.227 114.554 0.057 0.000 2.809 399 T HA -0.042 4.308 4.350 0.000 0.000 0.260 399 T C 1.985 176.734 174.700 0.082 0.000 1.039 399 T CA 1.235 63.377 62.100 0.069 0.000 1.141 399 T CB -0.088 68.813 68.868 0.054 0.000 0.869 399 T HN 0.523 nan 8.240 nan 0.000 0.437 400 K N 1.211 121.650 120.400 0.065 0.000 2.074 400 K HA -0.141 4.179 4.320 0.000 0.000 0.209 400 K C 2.355 179.005 176.600 0.084 0.000 1.048 400 K CA 1.301 57.624 56.287 0.060 0.000 0.926 400 K CB -0.100 32.424 32.500 0.039 0.000 0.713 400 K HN 0.322 nan 8.250 nan 0.000 0.444 401 K N 0.668 121.133 120.400 0.107 0.000 2.026 401 K HA -0.184 4.136 4.320 0.000 0.000 0.208 401 K C 2.143 178.916 176.600 0.288 0.000 1.048 401 K CA 1.400 57.786 56.287 0.164 0.000 0.929 401 K CB -0.090 32.519 32.500 0.182 0.000 0.713 401 K HN 0.017 nan 8.250 nan 0.000 0.439 402 E N 0.793 121.150 120.200 0.263 0.000 2.085 402 E HA -0.159 4.191 4.350 0.000 0.000 0.194 402 E C 1.824 178.585 176.600 0.269 0.000 0.994 402 E CA 1.478 58.059 56.400 0.302 0.000 0.801 402 E CB -0.225 29.605 29.700 0.217 0.000 0.743 402 E HN 0.342 nan 8.360 nan 0.000 0.453 403 A N -0.132 122.793 122.820 0.175 0.000 1.933 403 A HA -0.219 4.102 4.320 0.000 0.000 0.218 403 A C 2.536 180.190 177.584 0.117 0.000 1.175 403 A CA 1.505 53.618 52.037 0.127 0.000 0.628 403 A CB -1.190 17.859 19.000 0.081 0.000 0.814 403 A HN 0.510 nan 8.150 nan 0.000 0.444 404 C N -1.670 117.690 119.300 0.101 0.000 2.432 404 C HA -0.157 4.303 4.460 0.000 0.000 0.277 404 C C 2.381 177.381 174.990 0.015 0.000 1.249 404 C CA 1.183 60.210 59.018 0.014 0.000 1.725 404 C CB -1.660 26.044 27.740 -0.061 0.000 2.028 404 C HN 0.747 nan 8.230 nan 0.000 0.477 405 W N 1.019 122.347 121.300 0.047 0.000 2.335 405 W HA -0.081 4.580 4.660 0.001 0.000 0.311 405 W C 2.727 179.268 176.519 0.036 0.000 1.213 405 W CA 1.945 59.319 57.345 0.048 0.000 1.274 405 W CB -0.798 28.705 29.460 0.072 0.000 1.148 405 W HN 0.412 nan 8.180 nan 0.000 0.498 406 A N 0.177 123.166 122.820 0.281 0.000 1.883 406 A HA -0.220 4.100 4.320 0.000 0.000 0.217 406 A C 1.879 179.529 177.584 0.109 0.000 1.186 406 A CA 2.104 54.239 52.037 0.163 0.000 0.624 406 A CB -1.006 18.067 19.000 0.122 0.000 0.822 406 A HN 0.318 nan 8.150 nan 0.000 0.444 407 I N -1.197 119.422 120.570 0.082 0.000 2.353 407 I HA -0.152 4.018 4.170 0.000 0.000 0.248 407 I C 2.792 178.928 176.117 0.032 0.000 1.119 407 I CA 1.249 62.578 61.300 0.047 0.000 1.417 407 I CB -0.225 37.788 38.000 0.023 0.000 1.078 407 I HN 0.395 nan 8.210 nan 0.000 0.421 408 S N 1.127 116.836 115.700 0.015 0.000 2.356 408 S HA -0.180 4.291 4.470 0.000 0.000 0.223 408 S C 1.913 176.531 174.600 0.030 0.000 1.032 408 S CA 1.652 59.841 58.200 -0.019 0.000 1.005 408 S CB -0.264 62.865 63.200 -0.118 0.000 0.867 408 S HN 0.397 nan 8.310 nan 0.000 0.449 409 N N 1.771 120.526 118.700 0.090 0.000 2.104 409 N HA -0.038 4.703 4.740 0.000 0.000 0.190 409 N C 1.845 177.397 175.510 0.070 0.000 1.024 409 N CA 1.372 54.487 53.050 0.109 0.000 0.853 409 N CB -0.816 37.761 38.487 0.149 0.000 1.008 409 N HN 0.517 nan 8.380 nan 0.000 0.424 410 A N 0.787 123.645 122.820 0.063 0.000 1.930 410 A HA -0.125 4.196 4.320 0.000 0.000 0.217 410 A C 2.378 179.990 177.584 0.046 0.000 1.175 410 A CA 1.938 54.007 52.037 0.053 0.000 0.627 410 A CB -0.798 18.239 19.000 0.061 0.000 0.815 410 A HN 0.458 nan 8.150 nan 0.000 0.443 411 S N 0.639 116.362 115.700 0.038 0.000 2.419 411 S HA -0.169 4.301 4.470 0.000 0.000 0.233 411 S C 1.967 176.583 174.600 0.026 0.000 1.016 411 S CA 1.729 59.946 58.200 0.028 0.000 0.974 411 S CB -0.889 62.318 63.200 0.012 0.000 0.786 411 S HN 0.970 nan 8.310 nan 0.000 0.492 412 S N 0.937 116.656 115.700 0.031 0.000 2.515 412 S HA 0.157 4.627 4.470 0.000 0.000 0.231 412 S C 1.839 176.457 174.600 0.030 0.000 0.987 412 S CA 0.584 58.802 58.200 0.031 0.000 0.936 412 S CB -0.968 62.255 63.200 0.038 0.000 0.766 412 S HN 0.652 nan 8.310 nan 0.000 0.528 413 G N 0.853 109.671 108.800 0.031 0.000 2.650 413 G HA2 0.242 4.203 3.960 0.000 0.000 0.214 413 G HA3 0.242 4.203 3.960 0.000 0.000 0.214 413 G C 1.260 176.175 174.900 0.025 0.000 1.136 413 G CA 0.235 45.350 45.100 0.026 0.000 0.789 413 G HN 0.606 nan 8.290 nan 0.000 0.536 414 G N 1.125 109.942 108.800 0.027 0.000 2.462 414 G HA2 -0.170 3.791 3.960 0.000 0.000 0.220 414 G HA3 -0.170 3.791 3.960 0.000 0.000 0.220 414 G C 1.682 176.595 174.900 0.022 0.000 1.121 414 G CA 0.533 45.649 45.100 0.026 0.000 0.758 414 G HN 0.449 nan 8.290 nan 0.000 0.559 415 L N -0.303 120.933 121.223 0.021 0.000 2.083 415 L HA -0.070 4.270 4.340 0.000 0.000 0.209 415 L C 3.457 180.337 176.870 0.017 0.000 1.083 415 L CA 1.734 56.586 54.840 0.020 0.000 0.752 415 L CB -0.564 41.507 42.059 0.021 0.000 0.899 415 L HN 0.455 nan 8.230 nan 0.000 0.433 416 Q N 0.332 120.141 119.800 0.016 0.000 2.354 416 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 416 Q C 1.467 177.473 176.000 0.011 0.000 0.933 416 Q CA 0.584 56.395 55.803 0.012 0.000 0.901 416 Q CB 0.114 28.858 28.738 0.010 0.000 1.007 416 Q HN 0.463 nan 8.270 nan 0.000 0.495 417 R N 0.339 120.846 120.500 0.013 0.000 2.850 417 R HA 0.199 4.539 4.340 0.000 0.000 0.266 417 R C -2.348 173.964 176.300 0.020 0.000 1.782 417 R CA -1.322 54.785 56.100 0.012 0.000 1.310 417 R CB 1.484 31.788 30.300 0.007 0.000 1.337 417 R HN 0.104 nan 8.270 nan 0.000 0.546 418 P HA -0.225 nan 4.420 nan 0.000 0.217 418 P C 0.229 177.553 177.300 0.039 0.000 1.148 418 P CA 1.182 64.299 63.100 0.027 0.000 0.834 418 P CB 0.374 32.088 31.700 0.023 0.000 0.783 419 D N -0.358 120.065 120.400 0.038 0.000 2.221 419 D HA -0.096 4.544 4.640 0.000 0.000 0.204 419 D C 2.105 178.459 176.300 0.089 0.000 0.982 419 D CA 0.623 54.657 54.000 0.056 0.000 0.857 419 D CB -0.512 40.309 40.800 0.035 0.000 0.934 419 D HN 0.258 nan 8.370 nan 0.000 0.475 420 I N 0.663 121.273 120.570 0.067 0.000 2.127 420 I HA -0.283 3.887 4.170 0.000 0.000 0.241 420 I C 2.402 178.595 176.117 0.126 0.000 1.075 420 I CA 0.977 62.333 61.300 0.092 0.000 1.334 420 I CB -0.120 37.913 38.000 0.056 0.000 1.040 420 I HN -0.007 nan 8.210 nan 0.000 0.405 421 I N 0.102 120.720 120.570 0.080 0.000 2.286 421 I HA -0.235 3.935 4.170 0.000 0.000 0.245 421 I C 2.647 178.801 176.117 0.061 0.000 1.104 421 I CA 1.132 62.468 61.300 0.060 0.000 1.397 421 I CB -0.436 37.585 38.000 0.034 0.000 1.072 421 I HN 0.173 nan 8.210 nan 0.000 0.417 422 R N -0.155 120.390 120.500 0.075 0.000 2.127 422 R HA -0.230 4.111 4.340 0.000 0.000 0.238 422 R C 2.338 178.686 176.300 0.080 0.000 1.134 422 R CA 1.643 57.787 56.100 0.073 0.000 0.975 422 R CB -0.553 29.794 30.300 0.077 0.000 0.865 422 R HN 0.366 nan 8.270 nan 0.000 0.447 423 Y N 1.615 121.918 120.300 0.005 0.000 2.163 423 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 423 Y C 1.967 177.861 175.900 -0.009 0.000 1.136 423 Y CA 1.277 59.376 58.100 -0.002 0.000 1.147 423 Y CB -0.325 38.134 38.460 -0.002 0.000 0.987 423 Y HN -0.099 nan 8.280 nan 0.000 0.509 424 L N -1.079 120.085 121.223 -0.098 0.000 2.042 424 L HA -0.255 4.086 4.340 0.000 0.000 0.210 424 L C 2.378 179.129 176.870 -0.198 0.000 1.076 424 L CA 1.329 56.067 54.840 -0.171 0.000 0.749 424 L CB -0.901 41.143 42.059 -0.025 0.000 0.893 424 L HN 0.117 nan 8.230 nan 0.000 0.432 425 V N -0.091 119.750 119.914 -0.122 0.000 2.343 425 V HA -0.267 3.853 4.120 0.000 0.000 0.247 425 V C 2.626 178.603 176.094 -0.195 0.000 1.051 425 V CA 2.041 64.270 62.300 -0.119 0.000 1.036 425 V CB -0.565 31.246 31.823 -0.019 0.000 0.654 425 V HN 0.654 nan 8.190 nan 0.000 0.451 426 S N -0.761 114.825 115.700 -0.190 0.000 2.474 426 S HA -0.165 4.305 4.470 0.000 0.000 0.235 426 S C 1.633 176.080 174.600 -0.255 0.000 0.997 426 S CA 0.788 58.871 58.200 -0.194 0.000 0.949 426 S CB -0.245 62.881 63.200 -0.123 0.000 0.766 426 S HN 0.573 nan 8.310 nan 0.000 0.517 427 Q N 0.778 120.376 119.800 -0.337 0.000 2.319 427 Q HA 0.278 4.618 4.340 0.000 0.000 0.202 427 Q C 1.107 176.980 176.000 -0.212 0.000 0.896 427 Q CA 0.541 56.161 55.803 -0.306 0.000 0.942 427 Q CB 0.159 28.639 28.738 -0.429 0.000 1.083 427 Q HN 0.784 nan 8.270 nan 0.000 0.510 428 G N 1.497 110.167 108.800 -0.216 0.000 2.248 428 G HA2 -0.312 3.649 3.960 0.000 0.000 0.263 428 G HA3 -0.312 3.649 3.960 0.000 0.000 0.263 428 G C 0.864 175.681 174.900 -0.139 0.000 1.082 428 G CA 0.344 45.331 45.100 -0.187 0.000 0.863 428 G HN 0.520 nan 8.290 nan 0.000 0.495 429 C N -1.736 117.486 119.300 -0.130 0.000 2.485 429 C HA 0.397 4.858 4.460 0.000 0.000 0.277 429 C C 2.564 177.514 174.990 -0.067 0.000 1.376 429 C CA 0.860 59.827 59.018 -0.086 0.000 1.759 429 C CB -0.946 26.750 27.740 -0.073 0.000 1.970 429 C HN 0.552 nan 8.230 nan 0.000 0.509 430 I N 1.942 122.467 120.570 -0.075 0.000 2.163 430 I HA -0.213 3.957 4.170 0.000 0.000 0.243 430 I C 2.842 178.941 176.117 -0.030 0.000 1.085 430 I CA 2.146 63.422 61.300 -0.039 0.000 1.347 430 I CB -0.459 37.529 38.000 -0.019 0.000 1.044 430 I HN 0.304 nan 8.210 nan 0.000 0.408 431 K N 1.508 121.879 120.400 -0.048 0.000 2.002 431 K HA -0.120 4.200 4.320 0.000 0.000 0.209 431 K C -0.690 175.893 176.600 -0.028 0.000 1.048 431 K CA 1.716 57.983 56.287 -0.033 0.000 0.930 431 K CB -1.402 31.070 32.500 -0.046 0.000 0.714 431 K HN 0.109 nan 8.250 nan 0.000 0.438 432 P HA -0.109 nan 4.420 nan 0.000 0.220 432 P C 0.983 178.269 177.300 -0.023 0.000 1.148 432 P CA 0.753 63.838 63.100 -0.026 0.000 0.803 432 P CB 0.107 31.790 31.700 -0.029 0.000 0.782 433 L N -1.005 120.202 121.223 -0.026 0.000 2.044 433 L HA -0.121 4.220 4.340 0.000 0.000 0.205 433 L C 2.341 179.197 176.870 -0.023 0.000 1.075 433 L CA 1.735 56.559 54.840 -0.027 0.000 0.747 433 L CB -1.399 40.642 42.059 -0.029 0.000 0.903 433 L HN 0.026 nan 8.230 nan 0.000 0.435 434 C N -0.358 118.933 119.300 -0.016 0.000 2.436 434 C HA -0.154 4.307 4.460 0.000 0.000 0.277 434 C C 2.236 177.218 174.990 -0.013 0.000 1.241 434 C CA 0.593 59.604 59.018 -0.012 0.000 1.721 434 C CB -0.983 26.755 27.740 -0.005 0.000 2.043 434 C HN 0.521 nan 8.230 nan 0.000 0.472 435 D N 0.466 120.859 120.400 -0.012 0.000 2.315 435 D HA -0.105 4.536 4.640 0.000 0.000 0.211 435 D C 1.493 177.788 176.300 -0.010 0.000 0.977 435 D CA 0.815 54.809 54.000 -0.010 0.000 0.894 435 D CB -0.328 40.466 40.800 -0.010 0.000 0.910 435 D HN 0.383 nan 8.370 nan 0.000 0.490 436 L N -0.128 121.087 121.223 -0.014 0.000 2.607 436 L HA 0.179 4.519 4.340 0.000 0.000 0.228 436 L C 1.560 178.419 176.870 -0.018 0.000 1.123 436 L CA 0.384 55.215 54.840 -0.015 0.000 0.890 436 L CB 0.081 42.128 42.059 -0.020 0.000 1.103 436 L HN -0.045 nan 8.230 nan 0.000 0.468 437 L N -0.819 120.393 121.223 -0.018 0.000 2.291 437 L HA -0.063 4.277 4.340 0.000 0.000 0.214 437 L C 1.202 178.065 176.870 -0.012 0.000 1.120 437 L CA 0.845 55.674 54.840 -0.018 0.000 0.799 437 L CB -0.160 41.889 42.059 -0.017 0.000 0.925 437 L HN 0.298 nan 8.230 nan 0.000 0.446 438 E N 0.300 120.495 120.200 -0.008 0.000 2.311 438 E HA 0.169 4.519 4.350 0.000 0.000 0.198 438 E C 0.139 176.738 176.600 -0.002 0.000 1.115 438 E CA -0.248 56.150 56.400 -0.004 0.000 1.140 438 E CB 0.362 30.061 29.700 -0.001 0.000 1.204 438 E HN 0.362 nan 8.360 nan 0.000 0.446 439 I N -0.445 120.123 120.570 -0.003 0.000 2.797 439 I HA 0.199 4.369 4.170 0.000 0.000 0.310 439 I C 1.226 177.344 176.117 0.003 0.000 0.990 439 I CA -0.111 61.190 61.300 0.001 0.000 1.228 439 I CB 1.284 39.285 38.000 0.002 0.000 1.406 439 I HN 0.068 nan 8.210 nan 0.000 0.534 440 A N 3.252 126.076 122.820 0.008 0.000 1.929 440 A HA -0.105 4.216 4.320 0.000 0.000 0.216 440 A C 0.974 178.566 177.584 0.012 0.000 1.176 440 A CA 0.764 52.806 52.037 0.009 0.000 0.628 440 A CB -0.366 18.640 19.000 0.011 0.000 0.816 440 A HN 0.797 nan 8.150 nan 0.000 0.444 441 D N -0.084 120.327 120.400 0.018 0.000 2.425 441 D HA 0.021 4.661 4.640 0.000 0.000 0.247 441 D C 0.234 176.545 176.300 0.017 0.000 1.147 441 D CA -0.049 53.967 54.000 0.026 0.000 0.879 441 D CB 0.451 41.277 40.800 0.044 0.000 1.179 441 D HN 0.198 nan 8.370 nan 0.000 0.456 442 N N 2.979 121.691 118.700 0.020 0.000 2.376 442 N HA -0.099 4.641 4.740 0.000 0.000 0.177 442 N C 1.542 177.059 175.510 0.011 0.000 1.024 442 N CA 0.304 53.361 53.050 0.011 0.000 0.893 442 N CB 0.125 38.620 38.487 0.013 0.000 0.980 442 N HN 0.348 nan 8.380 nan 0.000 0.439 443 R N 1.391 121.912 120.500 0.036 0.000 2.115 443 R HA 0.140 4.480 4.340 0.000 0.000 0.226 443 R C 1.863 178.148 176.300 -0.025 0.000 1.100 443 R CA 0.639 56.767 56.100 0.047 0.000 0.980 443 R CB -0.473 29.909 30.300 0.138 0.000 0.875 443 R HN 0.061 nan 8.270 nan 0.000 0.445 444 I N 0.481 121.040 120.570 -0.019 0.000 2.252 444 I HA -0.201 3.969 4.170 0.000 0.000 0.245 444 I C 2.144 178.183 176.117 -0.130 0.000 1.102 444 I CA 1.176 62.412 61.300 -0.106 0.000 1.385 444 I CB -0.756 37.227 38.000 -0.029 0.000 1.064 444 I HN 0.168 nan 8.210 nan 0.000 0.414 445 I N 1.246 121.775 120.570 -0.069 0.000 2.264 445 I HA -0.282 3.889 4.170 0.000 0.000 0.248 445 I C 2.927 178.999 176.117 -0.074 0.000 1.111 445 I CA 1.762 63.026 61.300 -0.059 0.000 1.382 445 I CB -0.724 37.257 38.000 -0.031 0.000 1.060 445 I HN 0.299 nan 8.210 nan 0.000 0.418 446 E N 0.513 120.668 120.200 -0.076 0.000 2.106 446 E HA -0.140 4.210 4.350 0.000 0.000 0.192 446 E C 2.230 178.750 176.600 -0.134 0.000 0.984 446 E CA 1.670 58.026 56.400 -0.074 0.000 0.806 446 E CB -0.980 28.693 29.700 -0.044 0.000 0.750 446 E HN 0.329 nan 8.360 nan 0.000 0.458 447 V N 1.226 120.990 119.914 -0.249 0.000 2.453 447 V HA -0.180 3.940 4.120 0.000 0.000 0.247 447 V C 2.758 178.688 176.094 -0.272 0.000 1.048 447 V CA 2.132 64.196 62.300 -0.393 0.000 1.049 447 V CB -0.395 30.900 31.823 -0.880 0.000 0.672 447 V HN 0.590 nan 8.190 nan 0.000 0.457 448 T N 0.586 115.014 114.554 -0.209 0.000 2.708 448 T HA -0.116 4.234 4.350 0.000 0.000 0.266 448 T C 1.898 176.547 174.700 -0.085 0.000 1.037 448 T CA 1.456 63.476 62.100 -0.133 0.000 1.146 448 T CB -0.289 68.520 68.868 -0.097 0.000 0.865 448 T HN 0.284 nan 8.240 nan 0.000 0.435 449 L N 0.980 122.163 121.223 -0.067 0.000 2.127 449 L HA -0.131 4.209 4.340 0.000 0.000 0.211 449 L C 2.422 179.279 176.870 -0.022 0.000 1.089 449 L CA 1.063 55.886 54.840 -0.028 0.000 0.757 449 L CB -0.578 41.475 42.059 -0.011 0.000 0.899 449 L HN 0.219 nan 8.230 nan 0.000 0.434 450 D N 0.149 120.521 120.400 -0.048 0.000 2.144 450 D HA -0.129 4.511 4.640 0.000 0.000 0.200 450 D C 2.233 178.514 176.300 -0.031 0.000 0.978 450 D CA 1.444 55.424 54.000 -0.033 0.000 0.833 450 D CB 0.096 40.866 40.800 -0.050 0.000 0.961 450 D HN 0.319 nan 8.370 nan 0.000 0.470 451 A N 1.040 123.829 122.820 -0.052 0.000 1.877 451 A HA -0.121 4.200 4.320 0.000 0.000 0.216 451 A C 2.428 179.994 177.584 -0.030 0.000 1.186 451 A CA 0.879 52.891 52.037 -0.040 0.000 0.620 451 A CB -0.842 18.127 19.000 -0.053 0.000 0.822 451 A HN 0.182 nan 8.150 nan 0.000 0.443 452 L N -0.801 120.405 121.223 -0.027 0.000 2.079 452 L HA -0.227 4.114 4.340 0.000 0.000 0.210 452 L C 2.668 179.511 176.870 -0.044 0.000 1.081 452 L CA 1.900 56.728 54.840 -0.019 0.000 0.752 452 L CB -0.506 41.556 42.059 0.004 0.000 0.896 452 L HN 0.628 nan 8.230 nan 0.000 0.433 453 E N 0.332 120.516 120.200 -0.026 0.000 2.072 453 E HA -0.218 4.133 4.350 0.000 0.000 0.191 453 E C 1.957 178.514 176.600 -0.071 0.000 0.985 453 E CA 1.146 57.523 56.400 -0.038 0.000 0.801 453 E CB 0.117 29.844 29.700 0.045 0.000 0.750 453 E HN 0.449 nan 8.360 nan 0.000 0.452 454 N N 0.698 119.378 118.700 -0.033 0.000 2.104 454 N HA -0.175 4.565 4.740 0.000 0.000 0.190 454 N C 2.021 177.502 175.510 -0.049 0.000 1.024 454 N CA 1.291 54.327 53.050 -0.024 0.000 0.853 454 N CB -0.222 38.261 38.487 -0.006 0.000 1.008 454 N HN 0.325 nan 8.380 nan 0.000 0.424 455 I N 0.659 121.193 120.570 -0.060 0.000 2.252 455 I HA -0.203 3.967 4.170 0.000 0.000 0.245 455 I C 1.938 177.978 176.117 -0.129 0.000 1.102 455 I CA 0.584 61.848 61.300 -0.059 0.000 1.385 455 I CB -0.111 37.869 38.000 -0.032 0.000 1.064 455 I HN 0.058 nan 8.210 nan 0.000 0.414 456 L N 0.917 121.988 121.223 -0.255 0.000 2.046 456 L HA -0.191 4.149 4.340 0.000 0.000 0.208 456 L C 2.441 179.033 176.870 -0.464 0.000 1.077 456 L CA 1.840 56.352 54.840 -0.545 0.000 0.747 456 L CB -1.186 40.167 42.059 -1.177 0.000 0.896 456 L HN 0.238 nan 8.230 nan 0.000 0.432 457 K N -1.170 119.072 120.400 -0.263 0.000 2.026 457 K HA -0.231 4.090 4.320 0.000 0.000 0.208 457 K C 2.027 178.621 176.600 -0.011 0.000 1.048 457 K CA 1.555 57.824 56.287 -0.031 0.000 0.929 457 K CB -0.220 32.300 32.500 0.034 0.000 0.713 457 K HN 0.085 nan 8.250 nan 0.000 0.439 458 M N 0.701 120.283 119.600 -0.029 0.000 2.159 458 M HA -0.062 4.418 4.480 0.000 0.000 0.263 458 M C 1.901 178.193 176.300 -0.015 0.000 1.063 458 M CA 1.770 57.065 55.300 -0.008 0.000 1.110 458 M CB -0.677 31.922 32.600 -0.002 0.000 1.374 458 M HN 0.186 nan 8.290 nan 0.000 0.411 459 G N -1.021 107.752 108.800 -0.046 0.000 2.450 459 G HA2 -0.269 3.691 3.960 0.000 0.000 0.220 459 G HA3 -0.269 3.691 3.960 0.000 0.000 0.220 459 G C 1.451 176.332 174.900 -0.031 0.000 1.130 459 G CA 1.274 46.344 45.100 -0.051 0.000 0.760 459 G HN 0.529 nan 8.290 nan 0.000 0.557 460 E N 0.776 120.976 120.200 0.000 0.000 2.076 460 E HA 0.180 4.530 4.350 0.000 0.000 0.190 460 E C 2.684 179.301 176.600 0.029 0.000 0.979 460 E CA 1.178 57.608 56.400 0.049 0.000 0.807 460 E CB -0.511 29.288 29.700 0.165 0.000 0.761 460 E HN 0.240 nan 8.360 nan 0.000 0.454 461 A N 0.618 123.454 122.820 0.027 0.000 1.902 461 A HA -0.186 4.135 4.320 0.000 0.000 0.217 461 A C 1.898 179.487 177.584 0.009 0.000 1.181 461 A CA 1.939 53.988 52.037 0.019 0.000 0.623 461 A CB -0.731 18.281 19.000 0.020 0.000 0.818 461 A HN 0.256 nan 8.150 nan 0.000 0.443 462 D N -0.670 119.733 120.400 0.004 0.000 2.144 462 D HA -0.128 4.513 4.640 0.000 0.000 0.200 462 D C 1.945 178.241 176.300 -0.007 0.000 0.978 462 D CA 1.401 55.401 54.000 -0.000 0.000 0.833 462 D CB -0.125 40.674 40.800 -0.001 0.000 0.961 462 D HN 0.574 nan 8.370 nan 0.000 0.470 463 K N 0.784 121.176 120.400 -0.013 0.000 2.032 463 K HA -0.196 4.125 4.320 0.000 0.000 0.209 463 K C 1.674 178.266 176.600 -0.014 0.000 1.048 463 K CA 1.388 57.663 56.287 -0.020 0.000 0.927 463 K CB 0.041 32.526 32.500 -0.024 0.000 0.712 463 K HN 0.157 nan 8.250 nan 0.000 0.441 464 E N -0.093 120.103 120.200 -0.007 0.000 2.072 464 E HA -0.113 4.238 4.350 0.000 0.000 0.190 464 E C 2.033 178.631 176.600 -0.004 0.000 0.982 464 E CA 0.798 57.194 56.400 -0.005 0.000 0.803 464 E CB -0.081 29.619 29.700 -0.001 0.000 0.755 464 E HN 0.432 nan 8.360 nan 0.000 0.453 465 A N 1.851 124.670 122.820 -0.001 0.000 1.902 465 A HA -0.133 4.188 4.320 0.000 0.000 0.217 465 A C 1.529 179.112 177.584 -0.002 0.000 1.181 465 A CA 1.026 53.063 52.037 0.000 0.000 0.623 465 A CB -0.234 18.768 19.000 0.003 0.000 0.818 465 A HN 0.038 nan 8.150 nan 0.000 0.443 466 R N -2.131 118.366 120.500 -0.004 0.000 2.523 466 R HA 0.451 4.791 4.340 0.000 0.000 0.229 466 R C 0.856 177.150 176.300 -0.009 0.000 1.265 466 R CA 0.026 56.123 56.100 -0.005 0.000 1.081 466 R CB 0.054 30.351 30.300 -0.006 0.000 1.540 466 R HN 0.207 nan 8.270 nan 0.000 0.560 467 G N 0.870 109.664 108.800 -0.010 0.000 3.949 467 G HA2 0.248 4.209 3.960 0.000 0.000 0.295 467 G HA3 0.248 4.209 3.960 0.000 0.000 0.295 467 G C 0.046 174.936 174.900 -0.018 0.000 1.286 467 G CA -0.323 44.770 45.100 -0.013 0.000 1.171 467 G HN 0.123 nan 8.290 nan 0.000 0.586 468 L N 0.485 121.695 121.223 -0.022 0.000 2.395 468 L HA 0.238 4.579 4.340 0.000 0.000 0.269 468 L C 1.134 177.985 176.870 -0.033 0.000 1.133 468 L CA -0.793 54.029 54.840 -0.030 0.000 0.812 468 L CB 1.205 43.241 42.059 -0.038 0.000 1.125 468 L HN 0.298 nan 8.230 nan 0.000 0.452 469 N N 1.432 120.108 118.700 -0.039 0.000 2.282 469 N HA 0.214 4.954 4.740 0.000 0.000 0.185 469 N C -0.169 175.311 175.510 -0.051 0.000 1.099 469 N CA 0.203 53.229 53.050 -0.040 0.000 0.878 469 N CB 0.410 38.876 38.487 -0.036 0.000 0.993 469 N HN 0.407 nan 8.380 nan 0.000 0.481 470 I N -0.183 120.349 120.570 -0.064 0.000 2.769 470 I HA 0.197 4.367 4.170 0.000 0.000 0.298 470 I C -0.798 175.260 176.117 -0.098 0.000 1.128 470 I CA -1.096 60.154 61.300 -0.083 0.000 1.031 470 I CB 2.051 39.992 38.000 -0.097 0.000 1.235 470 I HN -0.033 nan 8.210 nan 0.000 0.423 471 N N 4.143 122.779 118.700 -0.108 0.000 2.448 471 N HA 0.055 4.795 4.740 0.000 0.000 0.250 471 N C 0.650 176.055 175.510 -0.176 0.000 1.136 471 N CA 0.363 53.344 53.050 -0.115 0.000 0.953 471 N CB 0.745 39.172 38.487 -0.101 0.000 1.251 471 N HN 0.610 nan 8.380 nan 0.000 0.502 472 E N 2.205 122.286 120.200 -0.198 0.000 2.160 472 E HA -0.172 4.179 4.350 0.000 0.000 0.195 472 E C 0.620 176.963 176.600 -0.428 0.000 0.991 472 E CA 1.031 57.218 56.400 -0.355 0.000 0.810 472 E CB 0.223 29.723 29.700 -0.333 0.000 0.742 472 E HN 0.583 nan 8.360 nan 0.000 0.466 473 N N 0.073 118.666 118.700 -0.178 0.000 2.457 473 N HA -0.037 4.703 4.740 0.000 0.000 0.180 473 N C 1.361 176.858 175.510 -0.022 0.000 1.050 473 N CA 0.833 53.875 53.050 -0.013 0.000 0.906 473 N CB 0.031 38.529 38.487 0.019 0.000 0.968 473 N HN 0.121 nan 8.380 nan 0.000 0.445 474 A N 0.933 123.674 122.820 -0.133 0.000 1.897 474 A HA -0.083 4.238 4.320 0.000 0.000 0.215 474 A C 1.776 179.366 177.584 0.011 0.000 1.181 474 A CA 1.330 53.283 52.037 -0.140 0.000 0.620 474 A CB -0.384 18.384 19.000 -0.388 0.000 0.821 474 A HN 0.063 nan 8.150 nan 0.000 0.443 475 D N -0.683 119.655 120.400 -0.103 0.000 2.117 475 D HA -0.108 4.532 4.640 0.000 0.000 0.197 475 D C 1.594 177.921 176.300 0.045 0.000 0.987 475 D CA 1.224 55.179 54.000 -0.075 0.000 0.829 475 D CB -0.365 40.302 40.800 -0.223 0.000 0.961 475 D HN 0.566 nan 8.370 nan 0.000 0.460 476 F N 0.396 120.360 119.950 0.022 0.000 2.095 476 F HA -0.153 4.373 4.527 -0.000 0.000 0.298 476 F C 2.260 178.082 175.800 0.037 0.000 1.104 476 F CA 0.357 58.367 58.000 0.017 0.000 1.232 476 F CB -0.187 38.812 39.000 -0.002 0.000 0.987 476 F HN -0.031 nan 8.300 nan 0.000 0.475 477 I N 0.451 121.180 120.570 0.265 0.000 2.226 477 I HA -0.262 3.909 4.170 0.000 0.000 0.245 477 I C 2.904 179.118 176.117 0.162 0.000 1.100 477 I CA 1.582 63.002 61.300 0.200 0.000 1.374 477 I CB -1.056 37.099 38.000 0.260 0.000 1.057 477 I HN 0.246 nan 8.210 nan 0.000 0.413 478 E N 1.838 122.162 120.200 0.208 0.000 2.031 478 E HA -0.263 4.088 4.350 0.000 0.000 0.193 478 E C 2.087 178.738 176.600 0.085 0.000 0.994 478 E CA 1.649 58.133 56.400 0.140 0.000 0.800 478 E CB -0.756 29.049 29.700 0.175 0.000 0.752 478 E HN 0.536 nan 8.360 nan 0.000 0.447 479 K N -0.260 120.203 120.400 0.105 0.000 2.360 479 K HA 0.117 4.437 4.320 0.000 0.000 0.201 479 K C 2.059 178.699 176.600 0.066 0.000 1.046 479 K CA 0.727 57.066 56.287 0.086 0.000 0.945 479 K CB 0.058 32.629 32.500 0.119 0.000 0.750 479 K HN 0.351 nan 8.250 nan 0.000 0.464 480 A N 0.423 123.284 122.820 0.069 0.000 2.379 480 A HA 0.285 4.606 4.320 0.000 0.000 0.236 480 A C 1.302 178.897 177.584 0.020 0.000 1.272 480 A CA 0.467 52.527 52.037 0.038 0.000 0.886 480 A CB -0.229 18.792 19.000 0.036 0.000 0.962 480 A HN 0.352 nan 8.150 nan 0.000 0.504 481 G N -1.535 107.275 108.800 0.017 0.000 2.155 481 G HA2 -0.249 3.712 3.960 0.000 0.000 0.257 481 G HA3 -0.249 3.712 3.960 0.000 0.000 0.257 481 G C 1.185 176.075 174.900 -0.017 0.000 0.983 481 G CA 0.619 45.717 45.100 -0.003 0.000 0.676 481 G HN 1.260 nan 8.290 nan 0.000 0.528 482 G N -0.431 108.363 108.800 -0.010 0.000 2.484 482 G HA2 0.086 4.046 3.960 0.000 0.000 0.218 482 G HA3 0.086 4.046 3.960 0.000 0.000 0.218 482 G C 1.551 176.391 174.900 -0.100 0.000 1.130 482 G CA 1.323 46.405 45.100 -0.029 0.000 0.784 482 G HN 0.531 nan 8.290 nan 0.000 0.543 483 M N 0.332 119.831 119.600 -0.168 0.000 2.319 483 M HA 0.016 4.497 4.480 0.000 0.000 0.265 483 M C 2.064 178.222 176.300 -0.236 0.000 1.068 483 M CA 1.018 56.076 55.300 -0.403 0.000 1.118 483 M CB -0.098 32.194 32.600 -0.514 0.000 1.395 483 M HN 0.106 nan 8.290 nan 0.000 0.435 484 E N 0.773 120.902 120.200 -0.119 0.000 2.107 484 E HA -0.148 4.202 4.350 0.000 0.000 0.191 484 E C 1.832 178.461 176.600 0.048 0.000 0.982 484 E CA 1.099 57.478 56.400 -0.035 0.000 0.809 484 E CB -0.277 29.405 29.700 -0.030 0.000 0.756 484 E HN 0.590 nan 8.360 nan 0.000 0.459 485 K N 0.510 120.911 120.400 0.001 0.000 2.062 485 K HA 0.051 4.371 4.320 0.000 0.000 0.205 485 K C 2.290 178.896 176.600 0.009 0.000 1.051 485 K CA 0.704 56.998 56.287 0.010 0.000 0.941 485 K CB -0.078 32.417 32.500 -0.008 0.000 0.719 485 K HN 0.078 nan 8.250 nan 0.000 0.440 486 I N 0.455 121.013 120.570 -0.020 0.000 2.454 486 I HA -0.233 3.938 4.170 0.000 0.000 0.254 486 I C 2.087 178.220 176.117 0.027 0.000 1.156 486 I CA 0.901 62.190 61.300 -0.019 0.000 1.433 486 I CB -0.167 37.788 38.000 -0.074 0.000 1.082 486 I HN 0.056 nan 8.210 nan 0.000 0.432 487 F N 2.157 122.039 119.950 -0.114 0.000 2.163 487 F HA -0.131 4.396 4.527 0.001 0.000 0.297 487 F C 2.316 178.095 175.800 -0.035 0.000 1.094 487 F CA 1.464 59.416 58.000 -0.081 0.000 1.290 487 F CB -0.327 38.613 39.000 -0.099 0.000 1.017 487 F HN 0.065 nan 8.300 nan 0.000 0.483 488 N N -0.226 118.478 118.700 0.007 0.000 2.188 488 N HA -0.178 4.562 4.740 0.000 0.000 0.184 488 N C 1.965 177.419 175.510 -0.093 0.000 1.018 488 N CA 1.559 54.572 53.050 -0.063 0.000 0.858 488 N CB -1.055 37.438 38.487 0.009 0.000 0.989 488 N HN 0.306 nan 8.380 nan 0.000 0.426 489 C N 1.417 120.682 119.300 -0.059 0.000 2.409 489 C HA -0.075 4.385 4.460 0.000 0.000 0.288 489 C C 2.408 177.362 174.990 -0.061 0.000 1.395 489 C CA 0.347 59.338 59.018 -0.046 0.000 1.792 489 C CB -1.176 26.551 27.740 -0.021 0.000 1.847 489 C HN 0.491 nan 8.230 nan 0.000 0.534 490 Q N -0.184 119.547 119.800 -0.114 0.000 2.437 490 Q HA -0.127 4.213 4.340 0.000 0.000 0.210 490 Q C 1.191 177.132 176.000 -0.100 0.000 0.972 490 Q CA 0.914 56.656 55.803 -0.100 0.000 0.903 490 Q CB -0.073 28.552 28.738 -0.189 0.000 0.967 490 Q HN 0.751 nan 8.270 nan 0.000 0.486 491 Q N 0.354 120.088 119.800 -0.109 0.000 2.302 491 Q HA 0.169 4.509 4.340 0.000 0.000 0.332 491 Q C -0.718 175.250 176.000 -0.053 0.000 0.913 491 Q CA -0.305 55.449 55.803 -0.081 0.000 1.098 491 Q CB 0.528 29.212 28.738 -0.091 0.000 1.236 491 Q HN 0.097 nan 8.270 nan 0.000 0.436 492 N N 0.891 119.564 118.700 -0.044 0.000 2.430 492 N HA 0.053 4.793 4.740 0.000 0.000 0.292 492 N C 0.577 176.071 175.510 -0.027 0.000 1.051 492 N CA -0.001 53.032 53.050 -0.029 0.000 0.917 492 N CB 1.310 39.783 38.487 -0.023 0.000 1.164 492 N HN 0.105 nan 8.380 nan 0.000 0.484 493 E N 1.449 121.636 120.200 -0.021 0.000 2.209 493 E HA -0.153 4.198 4.350 0.000 0.000 0.196 493 E C 0.282 176.872 176.600 -0.017 0.000 0.993 493 E CA 0.627 57.015 56.400 -0.020 0.000 0.819 493 E CB -0.170 29.521 29.700 -0.015 0.000 0.745 493 E HN 0.644 nan 8.360 nan 0.000 0.477 494 N N 0.221 118.913 118.700 -0.013 0.000 2.454 494 N HA -0.054 4.687 4.740 0.000 0.000 0.254 494 N C 0.850 176.352 175.510 -0.013 0.000 1.228 494 N CA 0.568 53.613 53.050 -0.008 0.000 0.900 494 N CB 0.716 39.202 38.487 -0.003 0.000 1.089 494 N HN 0.126 nan 8.380 nan 0.000 0.449 495 D N 2.600 122.993 120.400 -0.012 0.000 2.106 495 D HA -0.143 4.498 4.640 0.000 0.000 0.203 495 D C 1.759 178.053 176.300 -0.011 0.000 0.977 495 D CA 1.151 55.141 54.000 -0.017 0.000 0.844 495 D CB -0.380 40.410 40.800 -0.016 0.000 1.002 495 D HN 0.558 nan 8.370 nan 0.000 0.461 496 K N 0.090 120.489 120.400 -0.001 0.000 2.127 496 K HA -0.083 4.237 4.320 0.000 0.000 0.208 496 K C 2.039 178.646 176.600 0.011 0.000 1.047 496 K CA 1.075 57.366 56.287 0.008 0.000 0.927 496 K CB -0.615 31.892 32.500 0.013 0.000 0.716 496 K HN 0.579 nan 8.250 nan 0.000 0.450 497 I N -0.920 119.653 120.570 0.005 0.000 2.113 497 I HA -0.320 3.851 4.170 0.000 0.000 0.238 497 I C 2.735 178.860 176.117 0.014 0.000 1.070 497 I CA 2.000 63.303 61.300 0.006 0.000 1.332 497 I CB -0.879 37.119 38.000 -0.003 0.000 1.044 497 I HN 0.279 nan 8.210 nan 0.000 0.402 498 Y N 0.964 121.265 120.300 0.002 0.000 2.128 498 Y HA -0.291 4.259 4.550 0.000 0.000 0.284 498 Y C 2.770 178.695 175.900 0.041 0.000 1.154 498 Y CA 2.488 60.592 58.100 0.006 0.000 1.149 498 Y CB -1.582 36.859 38.460 -0.030 0.000 0.976 498 Y HN 0.396 nan 8.280 nan 0.000 0.505 499 E N 0.573 120.781 120.200 0.013 0.000 2.153 499 E HA -0.147 4.203 4.350 0.000 0.000 0.194 499 E C 2.112 178.774 176.600 0.104 0.000 0.988 499 E CA 2.745 59.162 56.400 0.028 0.000 0.811 499 E CB -1.076 28.623 29.700 -0.002 0.000 0.746 499 E HN 0.891 nan 8.360 nan 0.000 0.466 500 K N -0.039 120.411 120.400 0.084 0.000 2.098 500 K HA 0.563 4.884 4.320 0.000 0.000 0.203 500 K C 2.654 179.325 176.600 0.119 0.000 1.051 500 K CA 1.274 57.618 56.287 0.095 0.000 0.957 500 K CB -0.798 31.739 32.500 0.060 0.000 0.738 500 K HN 0.768 nan 8.250 nan 0.000 0.447 501 A N -0.583 122.297 122.820 0.100 0.000 2.070 501 A HA -0.019 4.301 4.320 0.000 0.000 0.220 501 A C 2.197 179.860 177.584 0.132 0.000 1.159 501 A CA 1.661 53.753 52.037 0.092 0.000 0.656 501 A CB -0.574 18.453 19.000 0.045 0.000 0.800 501 A HN 0.681 nan 8.150 nan 0.000 0.453 502 Y N 0.101 120.416 120.300 0.025 0.000 2.243 502 Y HA -0.049 4.502 4.550 0.001 0.000 0.293 502 Y C 2.343 178.281 175.900 0.064 0.000 1.124 502 Y CA 1.961 60.079 58.100 0.031 0.000 1.159 502 Y CB -0.127 38.337 38.460 0.005 0.000 1.008 502 Y HN 0.272 nan 8.280 nan 0.000 0.527 503 K N 0.434 120.968 120.400 0.225 0.000 2.057 503 K HA -0.188 4.132 4.320 0.000 0.000 0.207 503 K C 1.920 178.585 176.600 0.109 0.000 1.049 503 K CA 2.051 58.423 56.287 0.143 0.000 0.931 503 K CB -0.383 32.205 32.500 0.147 0.000 0.714 503 K HN 0.405 nan 8.250 nan 0.000 0.440 504 I N 1.269 121.954 120.570 0.192 0.000 2.113 504 I HA -0.317 3.854 4.170 0.000 0.000 0.238 504 I C 2.274 178.614 176.117 0.372 0.000 1.070 504 I CA 0.884 62.394 61.300 0.349 0.000 1.332 504 I CB -0.332 37.857 38.000 0.315 0.000 1.044 504 I HN 0.187 nan 8.210 nan 0.000 0.402 505 I N 1.342 122.050 120.570 0.230 0.000 2.151 505 I HA -0.305 3.865 4.170 0.000 0.000 0.243 505 I C 3.082 179.273 176.117 0.123 0.000 1.080 505 I CA 2.370 63.805 61.300 0.224 0.000 1.339 505 I CB -1.770 36.287 38.000 0.095 0.000 1.039 505 I HN 0.357 nan 8.210 nan 0.000 0.409 506 E N 0.396 120.545 120.200 -0.085 0.000 2.150 506 E HA -0.176 4.174 4.350 0.000 0.000 0.193 506 E C 2.198 178.723 176.600 -0.124 0.000 0.985 506 E CA 1.753 58.067 56.400 -0.143 0.000 0.814 506 E CB -1.144 28.396 29.700 -0.266 0.000 0.752 506 E HN 0.549 nan 8.360 nan 0.000 0.466 507 T N -1.069 113.383 114.554 -0.169 0.000 2.978 507 T HA 0.096 4.446 4.350 0.000 0.000 0.262 507 T C 1.095 175.388 174.700 -0.678 0.000 1.063 507 T CA 1.115 62.951 62.100 -0.439 0.000 1.140 507 T CB -0.174 68.325 68.868 -0.614 0.000 0.886 507 T HN 0.630 nan 8.240 nan 0.000 0.470 508 Y N -1.456 118.813 120.300 -0.051 0.000 2.432 508 Y HA 0.411 4.961 4.550 0.000 0.000 0.252 508 Y C 0.473 176.033 175.900 -0.567 0.000 1.097 508 Y CA -0.611 57.303 58.100 -0.310 0.000 1.250 508 Y CB 0.719 38.928 38.460 -0.418 0.000 1.245 508 Y HN 0.096 nan 8.280 nan 0.000 0.522 509 F N -0.102 119.886 119.950 0.065 0.000 2.835 509 F HA 0.464 4.991 4.527 0.000 0.000 0.342 509 F C 1.266 177.052 175.800 -0.023 0.000 1.202 509 F CA -1.047 56.967 58.000 0.023 0.000 1.240 509 F CB -0.094 38.924 39.000 0.030 0.000 1.005 509 F HN -0.091 nan 8.300 nan 0.000 0.507 510 G N 0.000 108.839 108.800 0.064 0.000 5.446 510 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 510 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 510 G CA 0.000 45.111 45.100 0.018 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925