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 2vix_1_B DATA FIRST_RESID 73 DATA SEQUENCE MSQERILDGE EDEINHXIFD LXRTLXDNLP LDRDFIDRLX RYFXDPSDQV DATA SEQUENCE LALRELLNEX DLTAEQVELL TXIINEIISG SEXSVNAGIN SAIQAXLFGN DATA SEQUENCE XMXLEPQLLR ACYRGFIMGN ISTTDQYIEW LGNFGFNHRH TIVNFVEQSL DATA SEQUENCE IVDMDSEXPS CNAYEFGFVL SXLIAIXMIR TSDVIFMXXL ESSSLLXDGS DATA SEQUENCE LSAEQLLLTL LYIFQYPSES EQILTSVIEV SRASHEDSVV YQTYLSSVNE DATA SEQUENCE SPHDIFXSES EREIAINILR ELVTSAYXXE LSR 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 73 M HA 0.000 nan 4.480 nan 0.000 0.227 73 M C 0.000 176.302 176.300 0.004 0.000 1.140 73 M CA 0.000 55.304 55.300 0.007 0.000 0.988 73 M CB 0.000 32.605 32.600 0.008 0.000 1.302 74 S N 0.485 116.186 115.700 0.001 0.000 2.387 74 S HA 0.004 4.473 4.470 -0.000 0.000 0.221 74 S C 1.339 175.928 174.600 -0.019 0.000 1.041 74 S CA 1.195 59.389 58.200 -0.010 0.000 0.959 74 S CB -0.025 63.165 63.200 -0.016 0.000 0.843 74 S HN 0.480 nan 8.310 nan 0.000 0.488 75 Q N 1.161 120.955 119.800 -0.010 0.000 2.135 75 Q HA -0.178 4.161 4.340 -0.000 0.000 0.204 75 Q C 1.633 177.635 176.000 0.003 0.000 0.981 75 Q CA 1.414 57.212 55.803 -0.008 0.000 0.856 75 Q CB -0.079 28.670 28.738 0.019 0.000 0.902 75 Q HN 0.546 nan 8.270 nan 0.000 0.425 76 E N -0.216 119.989 120.200 0.009 0.000 2.472 76 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 76 E C 1.034 177.642 176.600 0.014 0.000 1.046 76 E CA 0.624 57.033 56.400 0.014 0.000 0.871 76 E CB -0.063 29.644 29.700 0.013 0.000 0.806 76 E HN 0.376 nan 8.360 nan 0.000 0.533 77 R N 0.489 120.993 120.500 0.005 0.000 2.334 77 R HA 0.323 4.663 4.340 -0.000 0.000 0.216 77 R C 0.425 176.729 176.300 0.007 0.000 0.905 77 R CA -0.167 55.939 56.100 0.009 0.000 1.064 77 R CB 0.342 30.645 30.300 0.005 0.000 1.046 77 R HN 0.110 nan 8.270 nan 0.000 0.508 78 I N 2.028 122.597 120.570 -0.001 0.000 2.352 78 I HA 0.044 4.214 4.170 -0.000 0.000 0.290 78 I C 0.725 176.877 176.117 0.059 0.000 1.036 78 I CA -0.006 61.296 61.300 0.003 0.000 1.336 78 I CB 1.156 39.132 38.000 -0.040 0.000 1.407 78 I HN 0.001 nan 8.210 nan 0.000 0.497 79 L N 5.463 126.730 121.223 0.074 0.000 2.912 79 L HA 0.312 4.652 4.340 -0.000 0.000 0.240 79 L C -0.235 176.698 176.870 0.105 0.000 1.262 79 L CA 0.055 54.943 54.840 0.080 0.000 1.058 79 L CB -0.459 41.641 42.059 0.069 0.000 1.383 79 L HN 0.541 nan 8.230 nan 0.000 0.512 80 D N 1.274 121.768 120.400 0.157 0.000 2.420 80 D HA 0.533 5.173 4.640 -0.000 0.000 0.255 80 D C 0.350 176.732 176.300 0.137 0.000 1.185 80 D CA 0.415 54.514 54.000 0.165 0.000 0.904 80 D CB 1.386 42.344 40.800 0.262 0.000 1.102 80 D HN 0.312 nan 8.370 nan 0.000 0.534 81 G N 2.704 111.548 108.800 0.074 0.000 2.685 81 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.387 81 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.387 81 G C -0.599 174.332 174.900 0.050 0.000 1.324 81 G CA -0.854 44.273 45.100 0.046 0.000 0.878 81 G HN 0.383 nan 8.290 nan 0.000 0.527 82 E N 0.030 120.251 120.200 0.035 0.000 2.283 82 E HA 0.279 4.629 4.350 -0.000 0.000 0.267 82 E C 1.460 178.085 176.600 0.041 0.000 1.045 82 E CA -0.659 55.759 56.400 0.030 0.000 0.884 82 E CB 1.039 30.748 29.700 0.015 0.000 1.106 82 E HN 0.569 nan 8.360 nan 0.000 0.408 83 E N 1.111 121.332 120.200 0.034 0.000 2.108 83 E HA -0.252 4.098 4.350 -0.000 0.000 0.203 83 E C 1.102 177.726 176.600 0.040 0.000 1.022 83 E CA 1.697 58.120 56.400 0.038 0.000 0.823 83 E CB 0.131 29.845 29.700 0.024 0.000 0.744 83 E HN 0.416 nan 8.360 nan 0.000 0.456 84 D N 0.166 120.581 120.400 0.024 0.000 2.084 84 D HA -0.142 4.498 4.640 -0.000 0.000 0.194 84 D C 1.922 178.246 176.300 0.040 0.000 0.990 84 D CA 1.043 55.053 54.000 0.017 0.000 0.826 84 D CB -0.276 40.520 40.800 -0.008 0.000 0.971 84 D HN 0.266 nan 8.370 nan 0.000 0.453 85 E N 0.044 120.266 120.200 0.036 0.000 2.051 85 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 85 E C 2.265 178.896 176.600 0.051 0.000 0.991 85 E CA 0.655 57.082 56.400 0.046 0.000 0.799 85 E CB -0.076 29.630 29.700 0.011 0.000 0.748 85 E HN 0.238 nan 8.360 nan 0.000 0.449 86 I N 1.502 122.122 120.570 0.082 0.000 2.163 86 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 86 I C 2.633 178.849 176.117 0.165 0.000 1.085 86 I CA 1.009 62.412 61.300 0.171 0.000 1.347 86 I CB -0.548 37.571 38.000 0.198 0.000 1.044 86 I HN 0.229 nan 8.210 nan 0.000 0.408 87 N N 0.386 119.161 118.700 0.125 0.000 2.149 87 N HA -0.213 4.527 4.740 -0.000 0.000 0.188 87 N C 1.102 176.709 175.510 0.162 0.000 1.019 87 N CA 0.937 54.065 53.050 0.130 0.000 0.857 87 N CB -0.269 38.272 38.487 0.089 0.000 0.997 87 N HN 0.469 nan 8.380 nan 0.000 0.426 91 F N 2.223 122.209 119.950 0.059 0.000 2.102 91 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 91 F C 2.267 178.114 175.800 0.078 0.000 1.105 91 F CA 2.391 60.433 58.000 0.071 0.000 1.239 91 F CB -0.011 39.036 39.000 0.079 0.000 0.991 91 F HN 0.145 nan 8.300 nan 0.000 0.474 92 D N 0.660 121.189 120.400 0.214 0.000 2.123 92 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 92 D C 1.137 177.537 176.300 0.165 0.000 0.992 92 D CA 0.777 54.871 54.000 0.158 0.000 0.833 92 D CB -0.160 40.654 40.800 0.023 0.000 0.954 92 D HN 0.183 nan 8.370 nan 0.000 0.455 96 T N 2.601 117.154 114.554 -0.001 0.000 2.833 96 T HA 0.056 4.406 4.350 -0.000 0.000 0.269 96 T C 1.261 175.887 174.700 -0.123 0.000 1.054 96 T CA 0.934 63.009 62.100 -0.042 0.000 1.135 96 T CB -0.050 68.807 68.868 -0.019 0.000 0.869 96 T HN -0.011 nan 8.240 nan 0.000 0.466 100 N N 1.019 119.684 118.700 -0.057 0.000 2.716 100 N HA -0.191 4.549 4.740 -0.000 0.000 0.250 100 N C -0.140 175.332 175.510 -0.065 0.000 1.033 100 N CA 0.961 53.974 53.050 -0.062 0.000 0.727 100 N CB -1.163 37.298 38.487 -0.044 0.000 0.950 100 N HN 0.550 nan 8.380 nan 0.000 0.541 101 L N -2.906 118.269 121.223 -0.080 0.000 2.354 101 L HA 0.783 5.123 4.340 -0.000 0.000 0.264 101 L C -2.399 174.401 176.870 -0.116 0.000 1.008 101 L CA -1.798 52.997 54.840 -0.074 0.000 0.819 101 L CB 2.362 44.394 42.059 -0.045 0.000 1.339 101 L HN -0.281 nan 8.230 nan 0.000 0.420 102 P HA 0.024 nan 4.420 nan 0.000 0.265 102 P C 0.431 177.657 177.300 -0.124 0.000 1.193 102 P CA 0.028 63.056 63.100 -0.120 0.000 0.765 102 P CB 0.930 32.595 31.700 -0.057 0.000 0.823 103 L N -1.030 120.048 121.223 -0.243 0.000 5.081 103 L HA -0.203 4.136 4.340 -0.000 0.000 0.423 103 L C 0.916 177.772 176.870 -0.022 0.000 1.019 103 L CA 1.839 56.483 54.840 -0.326 0.000 1.223 103 L CB -1.951 39.899 42.059 -0.348 0.000 1.940 103 L HN 0.517 nan 8.230 nan 0.000 0.675 104 D N 0.380 120.805 120.400 0.042 0.000 2.277 104 D HA 0.034 4.674 4.640 -0.000 0.000 0.279 104 D C 1.489 177.855 176.300 0.109 0.000 1.197 104 D CA 0.422 54.458 54.000 0.059 0.000 1.037 104 D CB -0.104 40.718 40.800 0.037 0.000 1.128 104 D HN 0.408 nan 8.370 nan 0.000 0.531 105 R N -0.728 119.813 120.500 0.068 0.000 2.193 105 R HA -0.022 4.318 4.340 -0.000 0.000 0.213 105 R C 0.817 177.142 176.300 0.042 0.000 1.055 105 R CA 0.857 56.989 56.100 0.054 0.000 0.995 105 R CB -0.335 29.981 30.300 0.027 0.000 0.893 105 R HN 0.240 nan 8.270 nan 0.000 0.459 106 D N 0.651 121.082 120.400 0.052 0.000 2.178 106 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 106 D C 1.490 177.811 176.300 0.036 0.000 0.974 106 D CA 0.995 55.011 54.000 0.027 0.000 0.841 106 D CB -0.122 40.697 40.800 0.033 0.000 0.953 106 D HN 0.258 nan 8.370 nan 0.000 0.478 107 F N 1.540 121.462 119.950 -0.047 0.000 2.128 107 F HA -0.080 4.447 4.527 -0.000 0.000 0.295 107 F C 2.183 177.949 175.800 -0.057 0.000 1.100 107 F CA 1.059 59.029 58.000 -0.050 0.000 1.260 107 F CB -0.097 38.887 39.000 -0.027 0.000 1.009 107 F HN -0.195 nan 8.300 nan 0.000 0.476 108 I N 0.220 120.751 120.570 -0.066 0.000 2.394 108 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 108 I C 1.882 177.892 176.117 -0.179 0.000 1.136 108 I CA 1.495 62.703 61.300 -0.154 0.000 1.425 108 I CB -0.618 37.388 38.000 0.011 0.000 1.079 108 I HN 0.189 nan 8.210 nan 0.000 0.425 109 D N 1.084 121.402 120.400 -0.137 0.000 2.117 109 D HA -0.209 4.431 4.640 -0.000 0.000 0.198 109 D C 2.323 178.479 176.300 -0.240 0.000 0.982 109 D CA 1.281 55.197 54.000 -0.139 0.000 0.828 109 D CB 0.048 40.793 40.800 -0.092 0.000 0.967 109 D HN 0.044 nan 8.370 nan 0.000 0.464 110 R N -0.333 119.962 120.500 -0.343 0.000 2.092 110 R HA 0.032 4.371 4.340 -0.000 0.000 0.231 110 R C 1.275 177.131 176.300 -0.742 0.000 1.119 110 R CA 0.232 55.971 56.100 -0.602 0.000 0.970 110 R CB -0.300 29.644 30.300 -0.593 0.000 0.864 110 R HN 0.223 nan 8.270 nan 0.000 0.440 114 Y N 0.620 120.772 120.300 -0.246 0.000 2.181 114 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 114 Y C 0.697 176.113 175.900 -0.805 0.000 1.146 114 Y CA 0.879 58.644 58.100 -0.559 0.000 1.164 114 Y CB 0.175 38.250 38.460 -0.642 0.000 0.982 114 Y HN -0.113 nan 8.280 nan 0.000 0.515 118 P HA -0.109 nan 4.420 nan 0.000 0.215 118 P C 1.175 178.490 177.300 0.026 0.000 1.153 118 P CA 0.843 63.967 63.100 0.041 0.000 0.853 118 P CB 0.249 31.971 31.700 0.038 0.000 0.788 119 S N -0.629 115.091 115.700 0.034 0.000 2.370 119 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 119 S C 1.587 176.174 174.600 -0.021 0.000 1.033 119 S CA 1.576 59.789 58.200 0.022 0.000 1.011 119 S CB -1.100 62.128 63.200 0.047 0.000 0.852 119 S HN 0.221 nan 8.310 nan 0.000 0.457 120 D N 1.124 121.510 120.400 -0.024 0.000 2.117 120 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 120 D C 2.164 178.301 176.300 -0.272 0.000 0.987 120 D CA 0.942 54.858 54.000 -0.140 0.000 0.829 120 D CB -0.382 40.404 40.800 -0.024 0.000 0.961 120 D HN 0.484 nan 8.370 nan 0.000 0.460 121 Q N 0.277 120.013 119.800 -0.107 0.000 2.061 121 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 121 Q C 2.424 178.367 176.000 -0.095 0.000 0.984 121 Q CA 0.973 56.728 55.803 -0.081 0.000 0.846 121 Q CB -0.050 28.696 28.738 0.013 0.000 0.902 121 Q HN 0.136 nan 8.270 nan 0.000 0.421 122 V N 0.960 120.837 119.914 -0.061 0.000 2.343 122 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 122 V C 2.138 178.193 176.094 -0.064 0.000 1.051 122 V CA 1.609 63.886 62.300 -0.040 0.000 1.036 122 V CB -0.480 31.334 31.823 -0.014 0.000 0.654 122 V HN 0.341 nan 8.190 nan 0.000 0.451 123 L N -0.029 121.131 121.223 -0.106 0.000 2.141 123 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 123 L C 2.639 179.418 176.870 -0.151 0.000 1.094 123 L CA 1.374 56.145 54.840 -0.115 0.000 0.763 123 L CB -0.709 41.275 42.059 -0.126 0.000 0.908 123 L HN 0.342 nan 8.230 nan 0.000 0.437 124 A N -0.004 122.663 122.820 -0.255 0.000 1.897 124 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 124 A C 2.231 179.781 177.584 -0.057 0.000 1.181 124 A CA 1.188 53.084 52.037 -0.234 0.000 0.620 124 A CB -0.544 18.202 19.000 -0.423 0.000 0.821 124 A HN 0.327 nan 8.150 nan 0.000 0.443 125 L N -1.122 120.082 121.223 -0.031 0.000 2.056 125 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 125 L C 2.787 179.672 176.870 0.025 0.000 1.078 125 L CA 1.266 56.128 54.840 0.035 0.000 0.749 125 L CB -0.381 41.704 42.059 0.045 0.000 0.901 125 L HN 0.299 nan 8.230 nan 0.000 0.433 126 R N -0.365 120.135 120.500 -0.000 0.000 2.120 126 R HA -0.194 4.146 4.340 -0.000 0.000 0.234 126 R C 2.214 178.518 176.300 0.007 0.000 1.123 126 R CA 1.171 57.273 56.100 0.003 0.000 0.975 126 R CB -0.125 30.172 30.300 -0.006 0.000 0.866 126 R HN 0.183 nan 8.270 nan 0.000 0.446 127 E N 0.538 120.738 120.200 0.001 0.000 2.150 127 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 127 E C 1.492 178.110 176.600 0.030 0.000 0.985 127 E CA 0.861 57.269 56.400 0.014 0.000 0.814 127 E CB -0.024 29.681 29.700 0.010 0.000 0.752 127 E HN 0.075 nan 8.360 nan 0.000 0.466 128 L N -0.040 121.207 121.223 0.040 0.000 2.201 128 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 128 L C 1.930 178.817 176.870 0.029 0.000 1.105 128 L CA 1.078 55.947 54.840 0.049 0.000 0.775 128 L CB -0.293 41.821 42.059 0.092 0.000 0.913 128 L HN 0.227 nan 8.230 nan 0.000 0.440 129 L N -0.824 120.414 121.223 0.025 0.000 2.478 129 L HA -0.081 4.259 4.340 -0.000 0.000 0.223 129 L C 1.620 178.498 176.870 0.012 0.000 1.140 129 L CA 0.190 55.040 54.840 0.015 0.000 0.842 129 L CB -0.379 41.688 42.059 0.015 0.000 0.953 129 L HN 0.318 nan 8.230 nan 0.000 0.452 130 N N -0.197 118.513 118.700 0.016 0.000 2.446 130 N HA -0.058 4.682 4.740 -0.000 0.000 0.179 130 N C 0.833 176.353 175.510 0.017 0.000 1.054 130 N CA 0.268 53.328 53.050 0.017 0.000 0.905 130 N CB 0.185 38.686 38.487 0.023 0.000 0.973 130 N HN 0.426 nan 8.380 nan 0.000 0.448 134 L N 2.018 123.231 121.223 -0.017 0.000 2.464 134 L HA 0.358 4.698 4.340 -0.000 0.000 0.264 134 L C 0.912 177.769 176.870 -0.022 0.000 1.199 134 L CA 0.583 55.408 54.840 -0.024 0.000 0.818 134 L CB 0.653 42.698 42.059 -0.024 0.000 1.102 134 L HN 0.034 nan 8.230 nan 0.000 0.473 135 T N 1.013 115.550 114.554 -0.029 0.000 2.849 135 T HA 0.311 4.661 4.350 -0.000 0.000 0.284 135 T C 1.288 175.974 174.700 -0.023 0.000 1.004 135 T CA 0.036 62.121 62.100 -0.025 0.000 1.021 135 T CB 1.076 69.926 68.868 -0.031 0.000 1.013 135 T HN 0.688 nan 8.240 nan 0.000 0.527 136 A N 1.041 123.850 122.820 -0.018 0.000 1.978 136 A HA -0.149 4.170 4.320 -0.000 0.000 0.220 136 A C 2.159 179.733 177.584 -0.017 0.000 1.170 136 A CA 1.919 53.947 52.037 -0.015 0.000 0.636 136 A CB -0.700 18.293 19.000 -0.011 0.000 0.810 136 A HN 0.986 nan 8.150 nan 0.000 0.448 137 E N -0.605 119.581 120.200 -0.023 0.000 2.230 137 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 137 E C 1.864 178.443 176.600 -0.035 0.000 0.987 137 E CA 0.883 57.267 56.400 -0.026 0.000 0.841 137 E CB -0.349 29.334 29.700 -0.028 0.000 0.783 137 E HN 0.727 nan 8.360 nan 0.000 0.481 138 Q N 0.839 120.613 119.800 -0.043 0.000 2.083 138 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 138 Q C 2.413 178.390 176.000 -0.038 0.000 0.969 138 Q CA 1.555 57.323 55.803 -0.058 0.000 0.838 138 Q CB 0.079 28.776 28.738 -0.068 0.000 0.900 138 Q HN 0.193 nan 8.270 nan 0.000 0.436 139 V N 1.258 121.157 119.914 -0.025 0.000 2.343 139 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 139 V C 2.153 178.243 176.094 -0.007 0.000 1.051 139 V CA 2.025 64.317 62.300 -0.012 0.000 1.036 139 V CB -0.509 31.309 31.823 -0.009 0.000 0.654 139 V HN 0.399 nan 8.190 nan 0.000 0.451 140 E N -0.333 119.862 120.200 -0.009 0.000 2.072 140 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 140 E C 2.181 178.779 176.600 -0.002 0.000 0.985 140 E CA 1.176 57.573 56.400 -0.005 0.000 0.801 140 E CB -0.063 29.633 29.700 -0.007 0.000 0.750 140 E HN 0.408 nan 8.360 nan 0.000 0.452 141 L N 0.766 121.983 121.223 -0.010 0.000 2.056 141 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 141 L C 2.119 178.998 176.870 0.014 0.000 1.078 141 L CA 1.235 56.072 54.840 -0.005 0.000 0.749 141 L CB -0.562 41.479 42.059 -0.029 0.000 0.901 141 L HN 0.188 nan 8.230 nan 0.000 0.433 142 L N -0.638 120.592 121.223 0.011 0.000 2.083 142 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 142 L C 1.738 178.633 176.870 0.041 0.000 1.083 142 L CA 1.564 56.429 54.840 0.041 0.000 0.752 142 L CB -1.390 40.687 42.059 0.031 0.000 0.899 142 L HN 0.549 nan 8.230 nan 0.000 0.433 146 I N 2.194 122.787 120.570 0.037 0.000 2.127 146 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 146 I C 2.128 178.258 176.117 0.022 0.000 1.075 146 I CA 1.902 63.218 61.300 0.027 0.000 1.334 146 I CB -0.344 37.670 38.000 0.024 0.000 1.040 146 I HN 0.343 nan 8.210 nan 0.000 0.405 147 N N 0.624 119.336 118.700 0.020 0.000 2.223 147 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 147 N C 1.701 177.221 175.510 0.016 0.000 1.016 147 N CA 1.158 54.218 53.050 0.017 0.000 0.863 147 N CB -0.276 38.220 38.487 0.015 0.000 0.983 147 N HN 0.453 nan 8.380 nan 0.000 0.429 148 E N 0.458 120.669 120.200 0.019 0.000 2.051 148 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 148 E C 1.952 178.562 176.600 0.017 0.000 0.991 148 E CA 0.746 57.157 56.400 0.018 0.000 0.799 148 E CB -0.068 29.645 29.700 0.021 0.000 0.748 148 E HN 0.349 nan 8.360 nan 0.000 0.449 149 I N 0.854 121.436 120.570 0.019 0.000 2.252 149 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 149 I C 2.312 178.439 176.117 0.017 0.000 1.102 149 I CA 0.947 62.258 61.300 0.019 0.000 1.385 149 I CB -0.192 37.819 38.000 0.019 0.000 1.064 149 I HN 0.118 nan 8.210 nan 0.000 0.414 150 I N 0.090 120.671 120.570 0.017 0.000 2.315 150 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 150 I C 2.533 178.657 176.117 0.013 0.000 1.117 150 I CA 1.111 62.421 61.300 0.017 0.000 1.404 150 I CB -0.303 37.708 38.000 0.017 0.000 1.071 150 I HN 0.144 nan 8.210 nan 0.000 0.419 151 S N 0.833 116.540 115.700 0.012 0.000 2.402 151 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 151 S C 2.120 176.723 174.600 0.006 0.000 1.021 151 S CA 1.274 59.479 58.200 0.008 0.000 0.974 151 S CB -0.546 62.659 63.200 0.008 0.000 0.800 151 S HN 0.639 nan 8.310 nan 0.000 0.484 152 G N 0.947 109.752 108.800 0.009 0.000 2.422 152 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 152 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 152 G C 0.395 175.299 174.900 0.006 0.000 1.146 152 G CA 0.983 46.087 45.100 0.008 0.000 0.769 152 G HN 0.630 nan 8.290 nan 0.000 0.547 153 S N -0.481 115.224 115.700 0.009 0.000 2.680 153 S HA 0.355 4.825 4.470 -0.000 0.000 0.140 153 S C -0.559 174.048 174.600 0.012 0.000 1.357 153 S CA -0.707 57.498 58.200 0.008 0.000 1.201 153 S CB 1.030 64.238 63.200 0.013 0.000 1.547 153 S HN 0.443 nan 8.310 nan 0.000 0.411 157 V N 3.855 123.801 119.914 0.053 0.000 2.307 157 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 157 V C 2.252 178.387 176.094 0.069 0.000 1.045 157 V CA 2.383 64.716 62.300 0.054 0.000 1.024 157 V CB -0.753 31.093 31.823 0.038 0.000 0.651 157 V HN 0.538 nan 8.190 nan 0.000 0.449 158 N N 0.586 119.329 118.700 0.072 0.000 2.188 158 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 158 N C 1.809 177.403 175.510 0.140 0.000 1.018 158 N CA 1.508 54.612 53.050 0.091 0.000 0.858 158 N CB -0.501 38.037 38.487 0.084 0.000 0.989 158 N HN 0.480 nan 8.380 nan 0.000 0.426 159 A N 0.476 123.399 122.820 0.172 0.000 1.969 159 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 159 A C 2.321 180.082 177.584 0.296 0.000 1.169 159 A CA 1.671 53.890 52.037 0.302 0.000 0.635 159 A CB -0.942 18.203 19.000 0.240 0.000 0.810 159 A HN 0.345 nan 8.150 nan 0.000 0.445 160 G N -0.033 108.883 108.800 0.192 0.000 2.394 160 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.215 160 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.215 160 G C 1.503 176.471 174.900 0.114 0.000 1.165 160 G CA 1.016 46.212 45.100 0.160 0.000 0.784 160 G HN 0.460 nan 8.290 nan 0.000 0.535 161 I N 1.090 121.714 120.570 0.089 0.000 2.163 161 I HA -0.132 4.038 4.170 -0.000 0.000 0.240 161 I C 2.453 178.600 176.117 0.049 0.000 1.081 161 I CA 0.836 62.170 61.300 0.057 0.000 1.353 161 I CB -0.234 37.792 38.000 0.044 0.000 1.054 161 I HN 0.024 nan 8.210 nan 0.000 0.407 162 N N 0.749 119.486 118.700 0.061 0.000 2.149 162 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 162 N C 1.794 177.279 175.510 -0.042 0.000 1.019 162 N CA 1.829 54.894 53.050 0.025 0.000 0.857 162 N CB -0.446 38.078 38.487 0.061 0.000 0.997 162 N HN 0.390 nan 8.380 nan 0.000 0.426 163 S N -0.863 114.802 115.700 -0.058 0.000 2.605 163 S HA 0.405 4.875 4.470 -0.000 0.000 0.217 163 S C 1.721 176.327 174.600 0.011 0.000 0.958 163 S CA 0.161 58.262 58.200 -0.164 0.000 0.919 163 S CB 0.232 63.195 63.200 -0.394 0.000 0.780 163 S HN 0.300 nan 8.310 nan 0.000 0.507 164 A N 3.039 125.883 122.820 0.040 0.000 1.883 164 A HA 0.020 4.339 4.320 -0.000 0.000 0.217 164 A C 2.115 179.739 177.584 0.066 0.000 1.186 164 A CA 1.490 53.566 52.037 0.064 0.000 0.624 164 A CB -0.689 18.338 19.000 0.046 0.000 0.822 164 A HN 0.528 nan 8.150 nan 0.000 0.444 165 I N 0.064 120.661 120.570 0.044 0.000 2.163 165 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 165 I C 2.555 178.728 176.117 0.094 0.000 1.085 165 I CA 1.371 62.700 61.300 0.047 0.000 1.347 165 I CB -1.591 36.423 38.000 0.024 0.000 1.044 165 I HN 0.400 nan 8.210 nan 0.000 0.408 166 Q N 0.796 120.672 119.800 0.126 0.000 2.170 166 Q HA -0.006 4.333 4.340 -0.000 0.000 0.203 166 Q C 1.387 177.643 176.000 0.427 0.000 0.976 166 Q CA 0.921 56.898 55.803 0.290 0.000 0.858 166 Q CB -0.624 28.199 28.738 0.142 0.000 0.907 166 Q HN 0.531 nan 8.270 nan 0.000 0.433 170 F N 1.552 121.446 119.950 -0.092 0.000 2.293 170 F HA 0.004 4.531 4.527 -0.000 0.000 0.300 170 F C 2.257 177.903 175.800 -0.257 0.000 1.086 170 F CA 1.770 59.665 58.000 -0.175 0.000 1.375 170 F CB -0.340 38.529 39.000 -0.218 0.000 1.045 170 F HN 0.150 nan 8.300 nan 0.000 0.516 171 G N -0.940 107.809 108.800 -0.086 0.000 2.448 171 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 171 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 171 G C 0.851 175.691 174.900 -0.099 0.000 1.135 171 G CA 0.232 45.253 45.100 -0.130 0.000 0.784 171 G HN 0.251 nan 8.290 nan 0.000 0.543 177 E N 2.172 122.364 120.200 -0.012 0.000 2.223 177 E HA 0.267 4.617 4.350 -0.000 0.000 0.282 177 E C -1.830 174.757 176.600 -0.020 0.000 1.046 177 E CA -1.657 54.739 56.400 -0.007 0.000 0.857 177 E CB 1.487 31.195 29.700 0.013 0.000 1.055 177 E HN 0.248 nan 8.360 nan 0.000 0.409 178 P HA -0.265 nan 4.420 nan 0.000 0.218 178 P C 1.158 178.452 177.300 -0.010 0.000 1.154 178 P CA 1.789 64.865 63.100 -0.041 0.000 0.872 178 P CB 0.233 31.931 31.700 -0.005 0.000 0.790 179 Q N -0.652 119.165 119.800 0.027 0.000 2.234 179 Q HA -0.151 4.188 4.340 -0.000 0.000 0.206 179 Q C 1.783 177.825 176.000 0.070 0.000 0.980 179 Q CA 1.598 57.436 55.803 0.058 0.000 0.869 179 Q CB -1.539 27.238 28.738 0.064 0.000 0.912 179 Q HN 0.203 nan 8.270 nan 0.000 0.436 180 L N -0.181 121.078 121.223 0.060 0.000 2.141 180 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 180 L C 2.175 179.124 176.870 0.132 0.000 1.094 180 L CA 0.985 55.892 54.840 0.112 0.000 0.763 180 L CB -0.246 41.896 42.059 0.139 0.000 0.908 180 L HN 0.272 nan 8.230 nan 0.000 0.437 181 L N -1.093 120.110 121.223 -0.033 0.000 2.179 181 L HA -0.118 4.221 4.340 -0.000 0.000 0.208 181 L C 2.706 179.653 176.870 0.129 0.000 1.096 181 L CA 0.718 55.417 54.840 -0.235 0.000 0.779 181 L CB -0.411 41.154 42.059 -0.823 0.000 0.922 181 L HN 0.208 nan 8.230 nan 0.000 0.443 182 R N 0.709 121.305 120.500 0.160 0.000 2.081 182 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 182 R C 2.345 178.803 176.300 0.263 0.000 1.131 182 R CA 1.519 57.766 56.100 0.246 0.000 0.960 182 R CB -0.229 30.172 30.300 0.167 0.000 0.856 182 R HN 0.316 nan 8.270 nan 0.000 0.436 183 A N 0.247 123.193 122.820 0.209 0.000 1.972 183 A HA -0.204 4.115 4.320 -0.000 0.000 0.219 183 A C 2.486 180.235 177.584 0.275 0.000 1.169 183 A CA 1.503 53.664 52.037 0.207 0.000 0.635 183 A CB -1.162 17.938 19.000 0.166 0.000 0.810 183 A HN 0.675 nan 8.150 nan 0.000 0.446 184 C N -1.862 117.637 119.300 0.331 0.000 2.436 184 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 184 C C 2.433 177.697 174.990 0.457 0.000 1.241 184 C CA 1.417 60.680 59.018 0.408 0.000 1.721 184 C CB -1.327 26.566 27.740 0.255 0.000 2.043 184 C HN 0.698 nan 8.230 nan 0.000 0.472 185 Y N 1.567 122.058 120.300 0.319 0.000 2.181 185 Y HA -0.050 4.500 4.550 -0.000 0.000 0.288 185 Y C 2.670 178.743 175.900 0.289 0.000 1.146 185 Y CA 2.049 60.304 58.100 0.258 0.000 1.164 185 Y CB -0.633 37.889 38.460 0.103 0.000 0.982 185 Y HN 0.291 nan 8.280 nan 0.000 0.515 186 R N -0.565 120.043 120.500 0.181 0.000 2.094 186 R HA -0.175 4.164 4.340 -0.000 0.000 0.239 186 R C 2.576 178.903 176.300 0.046 0.000 1.137 186 R CA 1.490 57.623 56.100 0.055 0.000 0.943 186 R CB -1.091 29.281 30.300 0.120 0.000 0.850 186 R HN 0.516 nan 8.270 nan 0.000 0.433 187 G N 0.142 109.036 108.800 0.156 0.000 2.432 187 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 187 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 187 G C 1.182 176.188 174.900 0.177 0.000 1.135 187 G CA 0.401 45.599 45.100 0.163 0.000 0.767 187 G HN 0.280 nan 8.290 nan 0.000 0.550 188 F N 2.375 122.387 119.950 0.103 0.000 2.084 188 F HA -0.003 4.524 4.527 -0.000 0.000 0.296 188 F C 2.446 178.231 175.800 -0.025 0.000 1.111 188 F CA 1.378 59.447 58.000 0.115 0.000 1.224 188 F CB -0.344 38.807 39.000 0.253 0.000 0.991 188 F HN 0.216 nan 8.300 nan 0.000 0.471 189 I N -1.886 118.456 120.570 -0.380 0.000 2.928 189 I HA -0.069 4.101 4.170 -0.000 0.000 0.266 189 I C 1.772 177.719 176.117 -0.284 0.000 1.234 189 I CA 1.278 62.306 61.300 -0.454 0.000 1.483 189 I CB -0.443 37.338 38.000 -0.364 0.000 1.097 189 I HN 0.187 nan 8.210 nan 0.000 0.455 190 M N 1.242 120.732 119.600 -0.184 0.000 2.367 190 M HA 0.319 4.799 4.480 -0.000 0.000 0.256 190 M C 1.350 177.590 176.300 -0.100 0.000 1.091 190 M CA 0.036 55.264 55.300 -0.121 0.000 1.049 190 M CB 0.474 33.032 32.600 -0.069 0.000 1.406 190 M HN 0.369 nan 8.290 nan 0.000 0.498 191 G N 0.721 109.461 108.800 -0.100 0.000 2.684 191 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.255 191 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.255 191 G C 0.077 174.920 174.900 -0.096 0.000 1.219 191 G CA -0.105 44.952 45.100 -0.071 0.000 0.901 191 G HN 0.313 nan 8.290 nan 0.000 0.548 192 N N -0.958 117.700 118.700 -0.071 0.000 2.466 192 N HA 0.114 4.854 4.740 -0.000 0.000 0.272 192 N C 0.131 175.607 175.510 -0.057 0.000 1.455 192 N CA -0.433 52.573 53.050 -0.073 0.000 0.875 192 N CB 0.034 38.482 38.487 -0.065 0.000 1.372 192 N HN 0.598 nan 8.380 nan 0.000 0.492 193 I N -1.742 118.794 120.570 -0.056 0.000 2.924 193 I HA 0.632 4.802 4.170 -0.000 0.000 0.316 193 I C 0.835 176.924 176.117 -0.047 0.000 1.014 193 I CA -0.923 60.349 61.300 -0.047 0.000 1.106 193 I CB 1.363 39.335 38.000 -0.047 0.000 1.311 193 I HN -0.015 nan 8.210 nan 0.000 0.502 194 S N 1.355 117.033 115.700 -0.037 0.000 2.617 194 S HA 0.175 4.645 4.470 -0.000 0.000 0.259 194 S C 0.957 175.536 174.600 -0.034 0.000 1.301 194 S CA -0.002 58.179 58.200 -0.031 0.000 0.984 194 S CB 0.982 64.166 63.200 -0.025 0.000 0.954 194 S HN 0.750 nan 8.310 nan 0.000 0.572 195 T N 1.460 116.002 114.554 -0.021 0.000 2.708 195 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 195 T C 2.179 176.873 174.700 -0.010 0.000 1.037 195 T CA 2.062 64.157 62.100 -0.010 0.000 1.146 195 T CB -1.141 67.723 68.868 -0.008 0.000 0.865 195 T HN 0.955 nan 8.240 nan 0.000 0.435 196 T N 0.552 115.101 114.554 -0.009 0.000 2.857 196 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 196 T C 1.600 176.322 174.700 0.037 0.000 1.048 196 T CA 1.098 63.213 62.100 0.024 0.000 1.139 196 T CB -0.440 68.443 68.868 0.025 0.000 0.874 196 T HN 0.130 nan 8.240 nan 0.000 0.455 197 D N 0.973 121.371 120.400 -0.004 0.000 2.178 197 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 197 D C 2.217 178.467 176.300 -0.085 0.000 0.980 197 D CA 1.015 55.001 54.000 -0.023 0.000 0.842 197 D CB -0.335 40.449 40.800 -0.027 0.000 0.948 197 D HN 0.455 nan 8.370 nan 0.000 0.472 198 Q N -0.611 119.096 119.800 -0.155 0.000 2.079 198 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 198 Q C 1.921 177.608 176.000 -0.523 0.000 0.974 198 Q CA 1.123 56.674 55.803 -0.419 0.000 0.840 198 Q CB -0.509 27.938 28.738 -0.485 0.000 0.898 198 Q HN 0.354 nan 8.270 nan 0.000 0.430 199 Y N -0.021 120.094 120.300 -0.308 0.000 2.224 199 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 199 Y C 1.707 177.620 175.900 0.023 0.000 1.146 199 Y CA 1.693 59.751 58.100 -0.071 0.000 1.182 199 Y CB 0.013 38.490 38.460 0.029 0.000 0.983 199 Y HN 0.157 nan 8.280 nan 0.000 0.524 200 I N -0.337 120.308 120.570 0.125 0.000 2.394 200 I HA -0.240 3.929 4.170 -0.000 0.000 0.251 200 I C 2.425 178.570 176.117 0.047 0.000 1.136 200 I CA 1.531 62.888 61.300 0.095 0.000 1.425 200 I CB -0.338 37.705 38.000 0.072 0.000 1.079 200 I HN 0.268 nan 8.210 nan 0.000 0.425 201 E N 0.565 120.754 120.200 -0.017 0.000 2.072 201 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 201 E C 2.067 178.774 176.600 0.178 0.000 0.985 201 E CA 1.183 57.592 56.400 0.015 0.000 0.801 201 E CB -0.003 29.660 29.700 -0.062 0.000 0.750 201 E HN 0.424 nan 8.360 nan 0.000 0.452 202 W N 0.918 122.270 121.300 0.087 0.000 2.402 202 W HA -0.051 4.609 4.660 -0.000 0.000 0.286 202 W C 2.122 178.712 176.519 0.118 0.000 1.221 202 W CA 0.236 57.681 57.345 0.168 0.000 1.257 202 W CB -0.930 28.551 29.460 0.035 0.000 1.120 202 W HN 0.206 nan 8.180 nan 0.000 0.551 203 L N -0.047 121.298 121.223 0.203 0.000 2.046 203 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 203 L C 2.384 179.337 176.870 0.138 0.000 1.077 203 L CA 1.990 56.903 54.840 0.121 0.000 0.747 203 L CB -0.988 41.129 42.059 0.097 0.000 0.896 203 L HN 0.010 nan 8.230 nan 0.000 0.432 204 G N -1.189 107.674 108.800 0.106 0.000 2.408 204 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.215 204 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.215 204 G C 1.273 176.165 174.900 -0.013 0.000 1.156 204 G CA 0.300 45.430 45.100 0.050 0.000 0.793 204 G HN 0.317 nan 8.290 nan 0.000 0.535 205 N N 0.310 118.970 118.700 -0.068 0.000 2.171 205 N HA 0.005 4.745 4.740 -0.000 0.000 0.184 205 N C 1.489 176.658 175.510 -0.567 0.000 1.021 205 N CA 0.909 53.725 53.050 -0.389 0.000 0.854 205 N CB -0.252 37.860 38.487 -0.626 0.000 0.994 205 N HN 0.399 nan 8.380 nan 0.000 0.426 206 F N -0.801 119.200 119.950 0.084 0.000 2.680 206 F HA 0.439 4.966 4.527 0.000 0.000 0.290 206 F C 1.354 177.237 175.800 0.138 0.000 1.114 206 F CA 0.334 58.389 58.000 0.092 0.000 1.333 206 F CB 0.273 39.297 39.000 0.040 0.000 1.091 206 F HN 0.010 nan 8.300 nan 0.000 0.606 207 G N 0.003 108.944 108.800 0.235 0.000 2.459 207 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.685 207 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.685 207 G C -0.174 174.807 174.900 0.135 0.000 1.303 207 G CA -0.492 44.702 45.100 0.157 0.000 0.907 207 G HN 0.040 nan 8.290 nan 0.000 0.632 208 F N 1.236 121.171 119.950 -0.026 0.000 2.102 208 F HA -0.051 4.476 4.527 -0.000 0.000 0.298 208 F C 2.419 178.154 175.800 -0.107 0.000 1.105 208 F CA 2.394 60.364 58.000 -0.050 0.000 1.239 208 F CB -0.018 38.962 39.000 -0.032 0.000 0.991 208 F HN 0.436 nan 8.300 nan 0.000 0.474 209 N N -0.607 118.054 118.700 -0.065 0.000 2.289 209 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 209 N C 1.410 176.771 175.510 -0.249 0.000 1.016 209 N CA 1.263 54.188 53.050 -0.208 0.000 0.872 209 N CB -0.692 37.658 38.487 -0.227 0.000 0.973 209 N HN 0.434 nan 8.380 nan 0.000 0.433 210 H N 0.631 119.654 119.070 -0.079 0.000 2.553 210 H HA 0.141 4.696 4.556 -0.000 0.000 0.265 210 H C 1.799 177.029 175.328 -0.163 0.000 0.964 210 H CA 0.156 56.152 56.048 -0.088 0.000 1.156 210 H CB 0.237 29.977 29.762 -0.037 0.000 1.411 210 H HN 0.420 nan 8.280 nan 0.000 0.558 211 R N 0.470 120.867 120.500 -0.172 0.000 2.159 211 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 211 R C 0.887 177.072 176.300 -0.193 0.000 1.131 211 R CA 1.414 57.352 56.100 -0.269 0.000 0.982 211 R CB -0.347 29.689 30.300 -0.440 0.000 0.868 211 R HN 0.295 nan 8.270 nan 0.000 0.453 212 H N 0.480 119.515 119.070 -0.059 0.000 2.431 212 H HA 0.102 4.658 4.556 -0.000 0.000 0.295 212 H C 1.825 177.148 175.328 -0.007 0.000 1.038 212 H CA 1.594 57.642 56.048 -0.000 0.000 1.360 212 H CB -0.136 29.634 29.762 0.013 0.000 1.433 212 H HN 0.231 nan 8.280 nan 0.000 0.536 213 T N 1.422 116.045 114.554 0.114 0.000 2.867 213 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 213 T C 2.138 176.810 174.700 -0.047 0.000 1.057 213 T CA 0.763 62.927 62.100 0.107 0.000 1.136 213 T CB -0.226 68.724 68.868 0.137 0.000 0.874 213 T HN 0.095 nan 8.240 nan 0.000 0.466 214 I N 1.524 121.971 120.570 -0.206 0.000 2.286 214 I HA -0.093 4.077 4.170 -0.000 0.000 0.248 214 I C 2.379 178.162 176.117 -0.556 0.000 1.115 214 I CA 0.793 61.797 61.300 -0.494 0.000 1.392 214 I CB -0.289 37.304 38.000 -0.679 0.000 1.065 214 I HN 0.137 nan 8.210 nan 0.000 0.418 215 V N 0.291 120.000 119.914 -0.342 0.000 2.667 215 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 215 V C 2.112 178.056 176.094 -0.250 0.000 1.065 215 V CA 1.958 64.096 62.300 -0.271 0.000 1.083 215 V CB -0.818 31.040 31.823 0.058 0.000 0.692 215 V HN 0.446 nan 8.190 nan 0.000 0.468 216 N N 0.243 118.836 118.700 -0.178 0.000 2.216 216 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 216 N C 1.604 176.846 175.510 -0.446 0.000 1.017 216 N CA 1.888 54.860 53.050 -0.130 0.000 0.861 216 N CB -0.530 38.033 38.487 0.127 0.000 0.986 216 N HN 0.716 nan 8.380 nan 0.000 0.428 217 F N 1.649 120.961 119.950 -1.063 0.000 2.146 217 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 217 F C 1.998 177.282 175.800 -0.860 0.000 1.096 217 F CA 0.892 57.887 58.000 -1.674 0.000 1.275 217 F CB -0.498 37.570 39.000 -1.554 0.000 1.008 217 F HN -0.226 nan 8.300 nan 0.000 0.480 218 V N 0.827 120.185 119.914 -0.925 0.000 2.407 218 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 218 V C 2.472 178.241 176.094 -0.541 0.000 1.055 218 V CA 2.239 64.062 62.300 -0.796 0.000 1.049 218 V CB -0.770 30.624 31.823 -0.716 0.000 0.662 218 V HN 0.489 nan 8.190 nan 0.000 0.455 219 E N -0.403 119.549 120.200 -0.414 0.000 2.051 219 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 219 E C 2.330 178.776 176.600 -0.258 0.000 0.991 219 E CA 1.189 57.445 56.400 -0.240 0.000 0.799 219 E CB -0.018 29.592 29.700 -0.149 0.000 0.748 219 E HN 0.519 nan 8.360 nan 0.000 0.449 220 Q N 0.236 119.847 119.800 -0.315 0.000 2.124 220 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 220 Q C 2.362 178.146 176.000 -0.359 0.000 0.977 220 Q CA 1.198 56.855 55.803 -0.242 0.000 0.850 220 Q CB -0.288 28.392 28.738 -0.096 0.000 0.901 220 Q HN 0.171 nan 8.270 nan 0.000 0.429 221 S N 1.184 116.495 115.700 -0.649 0.000 2.368 221 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 221 S C 1.896 176.128 174.600 -0.614 0.000 1.030 221 S CA 0.789 58.478 58.200 -0.851 0.000 0.999 221 S CB -0.249 61.995 63.200 -1.593 0.000 0.844 221 S HN 0.237 nan 8.310 nan 0.000 0.459 222 L N 1.932 122.948 121.223 -0.346 0.000 2.046 222 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 222 L C 1.889 178.643 176.870 -0.194 0.000 1.077 222 L CA 1.562 56.362 54.840 -0.068 0.000 0.747 222 L CB -0.572 41.524 42.059 0.062 0.000 0.896 222 L HN 0.289 nan 8.230 nan 0.000 0.432 223 I N -1.646 118.808 120.570 -0.192 0.000 2.179 223 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 223 I C 2.298 178.315 176.117 -0.167 0.000 1.088 223 I CA 1.378 62.576 61.300 -0.171 0.000 1.357 223 I CB -0.375 37.550 38.000 -0.126 0.000 1.051 223 I HN 0.073 nan 8.210 nan 0.000 0.409 224 V N 0.534 120.348 119.914 -0.166 0.000 2.427 224 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 224 V C 2.212 178.243 176.094 -0.106 0.000 1.051 224 V CA 2.059 64.283 62.300 -0.126 0.000 1.048 224 V CB -0.650 31.096 31.823 -0.128 0.000 0.666 224 V HN 0.456 nan 8.190 nan 0.000 0.456 225 D N 0.064 120.389 120.400 -0.126 0.000 2.097 225 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 225 D C 2.156 178.421 176.300 -0.058 0.000 0.989 225 D CA 1.658 55.653 54.000 -0.009 0.000 0.827 225 D CB -0.178 40.713 40.800 0.151 0.000 0.966 225 D HN 0.347 nan 8.370 nan 0.000 0.456 226 M N -0.092 119.306 119.600 -0.337 0.000 2.279 226 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 226 M C 0.806 177.038 176.300 -0.114 0.000 1.062 226 M CA 1.109 56.158 55.300 -0.419 0.000 1.099 226 M CB 0.125 32.398 32.600 -0.544 0.000 1.394 226 M HN -0.088 nan 8.290 nan 0.000 0.426 227 D N -0.144 120.206 120.400 -0.084 0.000 2.360 227 D HA 0.062 4.702 4.640 -0.000 0.000 0.210 227 D C 0.678 176.977 176.300 -0.002 0.000 1.047 227 D CA 0.225 54.204 54.000 -0.036 0.000 0.854 227 D CB 0.143 40.914 40.800 -0.048 0.000 0.936 227 D HN 0.274 nan 8.370 nan 0.000 0.514 228 S N 0.558 116.268 115.700 0.017 0.000 2.603 228 S HA 0.199 4.669 4.470 -0.000 0.000 0.268 228 S C 0.552 175.183 174.600 0.051 0.000 1.317 228 S CA -0.860 57.360 58.200 0.034 0.000 1.012 228 S CB 1.594 64.823 63.200 0.048 0.000 0.926 228 S HN 0.227 nan 8.310 nan 0.000 0.539 232 S N -1.534 114.297 115.700 0.217 0.000 2.423 232 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 232 S C 0.701 175.221 174.600 -0.133 0.000 1.014 232 S CA 0.786 59.032 58.200 0.077 0.000 0.965 232 S CB -0.388 62.903 63.200 0.150 0.000 0.785 232 S HN 0.564 nan 8.310 nan 0.000 0.495 233 C N 1.846 120.894 119.300 -0.420 0.000 3.154 233 C HA 0.719 5.179 4.460 -0.000 0.000 0.312 233 C C -0.143 174.515 174.990 -0.553 0.000 1.349 233 C CA -1.290 57.314 59.018 -0.689 0.000 1.518 233 C CB 1.265 28.304 27.740 -1.167 0.000 1.934 233 C HN 0.723 nan 8.230 nan 0.000 0.462 234 N N 0.639 119.152 118.700 -0.311 0.000 2.463 234 N HA 0.481 5.221 4.740 -0.000 0.000 0.270 234 N C 0.768 176.282 175.510 0.006 0.000 1.205 234 N CA 0.052 53.056 53.050 -0.076 0.000 0.974 234 N CB 0.514 39.005 38.487 0.006 0.000 1.197 234 N HN 0.803 nan 8.380 nan 0.000 0.504 235 A N 0.228 123.146 122.820 0.163 0.000 1.927 235 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 235 A C 1.955 179.679 177.584 0.234 0.000 1.185 235 A CA 1.642 53.825 52.037 0.243 0.000 0.639 235 A CB -1.543 17.566 19.000 0.181 0.000 0.820 235 A HN 0.828 nan 8.150 nan 0.000 0.451 236 Y N 0.277 120.620 120.300 0.072 0.000 2.263 236 Y HA -0.134 4.416 4.550 -0.000 0.000 0.292 236 Y C 2.288 178.267 175.900 0.132 0.000 1.130 236 Y CA 1.946 60.096 58.100 0.082 0.000 1.179 236 Y CB -0.057 38.450 38.460 0.078 0.000 0.998 236 Y HN 0.457 nan 8.280 nan 0.000 0.532 237 E N -0.544 119.665 120.200 0.015 0.000 2.152 237 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 237 E C 1.664 178.243 176.600 -0.035 0.000 0.983 237 E CA 0.769 57.126 56.400 -0.073 0.000 0.818 237 E CB -0.207 29.395 29.700 -0.163 0.000 0.758 237 E HN 0.410 nan 8.360 nan 0.000 0.467 238 F N 0.726 120.682 119.950 0.010 0.000 2.365 238 F HA -0.009 4.518 4.527 -0.000 0.000 0.300 238 F C 2.270 178.047 175.800 -0.038 0.000 1.090 238 F CA 1.013 59.017 58.000 0.005 0.000 1.408 238 F CB -0.799 38.217 39.000 0.027 0.000 1.060 238 F HN 0.028 nan 8.300 nan 0.000 0.534 239 G N -0.838 107.993 108.800 0.051 0.000 2.421 239 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.216 239 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.216 239 G C 1.579 176.335 174.900 -0.240 0.000 1.171 239 G CA 0.503 45.508 45.100 -0.158 0.000 0.775 239 G HN 0.284 nan 8.290 nan 0.000 0.543 240 F N 0.480 120.351 119.950 -0.130 0.000 2.293 240 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 240 F C 2.716 178.473 175.800 -0.072 0.000 1.086 240 F CA 0.406 58.334 58.000 -0.121 0.000 1.375 240 F CB -0.189 38.703 39.000 -0.181 0.000 1.045 240 F HN -0.028 nan 8.300 nan 0.000 0.516 241 V N -0.405 119.580 119.914 0.118 0.000 2.453 241 V HA -0.231 3.888 4.120 -0.000 0.000 0.247 241 V C 2.277 178.467 176.094 0.160 0.000 1.048 241 V CA 1.200 63.545 62.300 0.074 0.000 1.049 241 V CB -0.588 31.316 31.823 0.136 0.000 0.672 241 V HN 0.260 nan 8.190 nan 0.000 0.457 242 L N -0.052 121.249 121.223 0.131 0.000 2.017 242 L HA -0.062 4.277 4.340 -0.000 0.000 0.208 242 L C 1.792 178.715 176.870 0.088 0.000 1.073 242 L CA 1.417 56.320 54.840 0.104 0.000 0.745 242 L CB -0.307 41.775 42.059 0.037 0.000 0.894 242 L HN 0.284 nan 8.230 nan 0.000 0.432 246 I N 1.163 121.795 120.570 0.104 0.000 2.226 246 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 246 I C 2.599 178.741 176.117 0.043 0.000 1.100 246 I CA 1.777 63.110 61.300 0.056 0.000 1.374 246 I CB -1.683 36.336 38.000 0.032 0.000 1.057 246 I HN 0.406 nan 8.210 nan 0.000 0.413 247 A N 1.073 123.923 122.820 0.049 0.000 1.898 247 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 247 A C 1.706 179.299 177.584 0.015 0.000 1.181 247 A CA 0.615 52.661 52.037 0.015 0.000 0.620 247 A CB -0.677 18.333 19.000 0.017 0.000 0.819 247 A HN 0.282 nan 8.150 nan 0.000 0.442 251 I N 0.638 121.114 120.570 -0.157 0.000 2.286 251 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 251 I C 2.397 178.364 176.117 -0.250 0.000 1.104 251 I CA 1.416 62.557 61.300 -0.266 0.000 1.397 251 I CB -0.346 37.408 38.000 -0.408 0.000 1.072 251 I HN 0.328 nan 8.210 nan 0.000 0.417 252 R N 0.638 121.066 120.500 -0.121 0.000 2.115 252 R HA -0.138 4.202 4.340 -0.000 0.000 0.230 252 R C 2.162 178.484 176.300 0.036 0.000 1.111 252 R CA 1.836 57.983 56.100 0.079 0.000 0.976 252 R CB -0.183 30.254 30.300 0.227 0.000 0.870 252 R HN 0.234 nan 8.270 nan 0.000 0.445 253 T N 0.043 114.595 114.554 -0.003 0.000 2.746 253 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 253 T C 1.845 176.566 174.700 0.035 0.000 1.039 253 T CA 1.704 63.803 62.100 -0.000 0.000 1.142 253 T CB -0.124 68.740 68.868 -0.007 0.000 0.866 253 T HN 0.282 nan 8.240 nan 0.000 0.444 254 S N 1.297 117.014 115.700 0.029 0.000 2.402 254 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 254 S C 1.881 176.587 174.600 0.177 0.000 1.021 254 S CA 0.848 59.112 58.200 0.106 0.000 0.974 254 S CB -0.386 62.875 63.200 0.102 0.000 0.800 254 S HN 0.490 nan 8.310 nan 0.000 0.484 255 D N 1.676 122.164 120.400 0.146 0.000 2.097 255 D HA -0.098 4.542 4.640 -0.000 0.000 0.195 255 D C 1.957 178.419 176.300 0.270 0.000 0.989 255 D CA 1.089 55.232 54.000 0.238 0.000 0.827 255 D CB -0.205 40.783 40.800 0.314 0.000 0.966 255 D HN 0.229 nan 8.370 nan 0.000 0.456 256 V N 1.240 121.254 119.914 0.167 0.000 2.295 256 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 256 V C 2.734 178.898 176.094 0.117 0.000 1.049 256 V CA 1.269 63.633 62.300 0.107 0.000 1.024 256 V CB -0.419 31.395 31.823 -0.014 0.000 0.648 256 V HN 0.239 nan 8.190 nan 0.000 0.447 257 I N -0.882 119.761 120.570 0.122 0.000 2.264 257 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 257 I C 2.318 178.521 176.117 0.143 0.000 1.111 257 I CA 1.838 63.207 61.300 0.115 0.000 1.382 257 I CB -0.426 37.645 38.000 0.119 0.000 1.060 257 I HN 0.303 nan 8.210 nan 0.000 0.418 258 F N 1.045 121.018 119.950 0.039 0.000 2.146 258 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 258 F C 1.833 177.631 175.800 -0.003 0.000 1.096 258 F CA 1.036 59.034 58.000 -0.004 0.000 1.275 258 F CB -0.049 38.947 39.000 -0.007 0.000 1.008 258 F HN -0.154 nan 8.300 nan 0.000 0.480 263 E N 0.887 121.008 120.200 -0.131 0.000 2.051 263 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 263 E C 1.854 178.423 176.600 -0.052 0.000 0.991 263 E CA 1.892 58.252 56.400 -0.066 0.000 0.799 263 E CB 0.193 29.873 29.700 -0.033 0.000 0.748 263 E HN 0.540 nan 8.360 nan 0.000 0.449 264 S N 0.216 115.882 115.700 -0.056 0.000 2.419 264 S HA -0.158 4.312 4.470 -0.000 0.000 0.233 264 S C 2.100 176.681 174.600 -0.030 0.000 1.016 264 S CA 1.295 59.475 58.200 -0.034 0.000 0.974 264 S CB -0.360 62.822 63.200 -0.030 0.000 0.786 264 S HN 0.293 nan 8.310 nan 0.000 0.492 265 S N 0.750 116.413 115.700 -0.061 0.000 2.522 265 S HA 0.143 4.613 4.470 -0.000 0.000 0.227 265 S C 0.866 175.456 174.600 -0.015 0.000 0.986 265 S CA 0.486 58.655 58.200 -0.051 0.000 0.929 265 S CB -0.706 62.427 63.200 -0.112 0.000 0.769 265 S HN 0.555 nan 8.310 nan 0.000 0.529 266 S N -0.023 115.669 115.700 -0.014 0.000 3.586 266 S HA -0.113 4.357 4.470 -0.000 0.000 0.309 266 S C 0.533 175.175 174.600 0.070 0.000 1.195 266 S CA 0.793 59.019 58.200 0.043 0.000 0.895 266 S CB -2.300 60.955 63.200 0.091 0.000 0.983 266 S HN 0.607 nan 8.310 nan 0.000 0.563 267 L N -0.350 120.819 121.223 -0.090 0.000 2.341 267 L HA 0.210 4.550 4.340 -0.000 0.000 0.214 267 L C 1.242 178.076 176.870 -0.059 0.000 1.115 267 L CA 0.828 55.530 54.840 -0.231 0.000 0.820 267 L CB -0.013 41.841 42.059 -0.341 0.000 0.944 267 L HN 0.394 nan 8.230 nan 0.000 0.452 271 G N 2.533 111.344 108.800 0.019 0.000 2.596 271 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.304 271 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.304 271 G C 0.290 175.198 174.900 0.012 0.000 1.189 271 G CA 0.424 45.532 45.100 0.013 0.000 0.986 271 G HN 1.565 nan 8.290 nan 0.000 0.548 272 S N 1.701 117.410 115.700 0.014 0.000 2.560 272 S HA 0.351 4.821 4.470 -0.000 0.000 0.323 272 S C 1.606 176.210 174.600 0.007 0.000 1.191 272 S CA 0.677 58.881 58.200 0.007 0.000 1.231 272 S CB 0.177 63.383 63.200 0.010 0.000 1.224 272 S HN 1.416 nan 8.310 nan 0.000 0.545 273 L N 0.469 121.686 121.223 -0.010 0.000 2.221 273 L HA 0.174 4.514 4.340 -0.000 0.000 0.202 273 L C 1.418 178.266 176.870 -0.037 0.000 1.074 273 L CA 0.419 55.246 54.840 -0.021 0.000 0.795 273 L CB -1.018 41.023 42.059 -0.030 0.000 0.960 273 L HN 0.606 nan 8.230 nan 0.000 0.458 274 S N 0.365 116.031 115.700 -0.057 0.000 3.686 274 S HA -0.435 4.035 4.470 -0.000 0.000 0.247 274 S C 1.508 176.030 174.600 -0.130 0.000 1.674 274 S CA 2.566 60.725 58.200 -0.068 0.000 3.746 274 S CB -1.788 61.401 63.200 -0.017 0.000 0.692 274 S HN 1.690 nan 8.310 nan 0.000 0.466 275 A N 0.414 123.188 122.820 -0.076 0.000 1.344 275 A HA -0.470 3.850 4.320 -0.000 0.000 0.222 275 A C 1.500 179.051 177.584 -0.056 0.000 0.364 275 A CA 3.028 55.011 52.037 -0.091 0.000 1.096 275 A CB -2.150 16.684 19.000 -0.276 0.000 1.468 275 A HN 0.987 nan 8.150 nan 0.000 0.722 276 E N -1.288 118.759 120.200 -0.255 0.000 2.150 276 E HA -0.211 4.138 4.350 -0.000 0.000 0.193 276 E C 1.967 178.616 176.600 0.082 0.000 0.985 276 E CA 1.222 57.590 56.400 -0.053 0.000 0.814 276 E CB -0.140 29.478 29.700 -0.137 0.000 0.752 276 E HN 0.729 nan 8.360 nan 0.000 0.466 277 Q N -0.087 119.735 119.800 0.036 0.000 2.187 277 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 277 Q C 2.178 178.248 176.000 0.117 0.000 0.957 277 Q CA 0.578 56.419 55.803 0.062 0.000 0.857 277 Q CB 0.013 28.771 28.738 0.034 0.000 0.929 277 Q HN 0.290 nan 8.270 nan 0.000 0.453 278 L N 0.372 121.698 121.223 0.171 0.000 2.156 278 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 278 L C 2.203 179.207 176.870 0.224 0.000 1.095 278 L CA 0.992 56.014 54.840 0.304 0.000 0.770 278 L CB -0.762 41.531 42.059 0.390 0.000 0.914 278 L HN 0.176 nan 8.230 nan 0.000 0.439 279 L N -1.070 120.276 121.223 0.204 0.000 1.994 279 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 279 L C 2.412 179.289 176.870 0.013 0.000 1.071 279 L CA 1.510 56.407 54.840 0.094 0.000 0.745 279 L CB -0.139 42.098 42.059 0.297 0.000 0.892 279 L HN 0.224 nan 8.230 nan 0.000 0.431 280 L N -0.643 120.629 121.223 0.082 0.000 2.079 280 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 280 L C 2.472 179.360 176.870 0.030 0.000 1.081 280 L CA 1.757 56.629 54.840 0.053 0.000 0.752 280 L CB -0.822 41.267 42.059 0.051 0.000 0.896 280 L HN 0.309 nan 8.230 nan 0.000 0.433 281 T N -0.035 114.549 114.554 0.051 0.000 2.746 281 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 281 T C 1.832 176.500 174.700 -0.054 0.000 1.039 281 T CA 1.364 63.499 62.100 0.058 0.000 1.142 281 T CB -0.289 68.624 68.868 0.075 0.000 0.866 281 T HN 0.136 nan 8.240 nan 0.000 0.444 282 L N 0.944 122.074 121.223 -0.154 0.000 2.017 282 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 282 L C 2.195 178.573 176.870 -0.820 0.000 1.073 282 L CA 1.525 56.063 54.840 -0.504 0.000 0.745 282 L CB -0.646 40.904 42.059 -0.848 0.000 0.894 282 L HN 0.243 nan 8.230 nan 0.000 0.432 283 L N -2.017 118.940 121.223 -0.443 0.000 2.042 283 L HA -0.267 4.072 4.340 -0.000 0.000 0.210 283 L C 2.519 179.343 176.870 -0.076 0.000 1.076 283 L CA 1.376 56.077 54.840 -0.231 0.000 0.749 283 L CB -1.004 41.047 42.059 -0.014 0.000 0.893 283 L HN 0.314 nan 8.230 nan 0.000 0.432 284 Y N 0.828 121.034 120.300 -0.157 0.000 2.274 284 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 284 Y C 2.363 178.238 175.900 -0.042 0.000 1.145 284 Y CA 0.977 59.052 58.100 -0.042 0.000 1.203 284 Y CB -0.345 38.106 38.460 -0.015 0.000 0.984 284 Y HN 0.064 nan 8.280 nan 0.000 0.533 285 I N -1.474 119.010 120.570 -0.144 0.000 2.315 285 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 285 I C 1.915 178.022 176.117 -0.017 0.000 1.117 285 I CA 0.821 62.024 61.300 -0.163 0.000 1.404 285 I CB -0.489 37.390 38.000 -0.202 0.000 1.071 285 I HN 0.005 nan 8.210 nan 0.000 0.419 286 F N 1.161 121.022 119.950 -0.149 0.000 2.171 286 F HA -0.211 4.316 4.527 -0.000 0.000 0.300 286 F C 2.627 178.275 175.800 -0.253 0.000 1.090 286 F CA 1.163 58.902 58.000 -0.434 0.000 1.293 286 F CB -1.194 37.480 39.000 -0.543 0.000 1.013 286 F HN 0.152 nan 8.300 nan 0.000 0.486 287 Q N -1.629 118.166 119.800 -0.009 0.000 2.049 287 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 287 Q C -0.196 175.520 176.000 -0.474 0.000 0.971 287 Q CA 1.308 56.958 55.803 -0.255 0.000 0.833 287 Q CB -0.144 28.453 28.738 -0.235 0.000 0.896 287 Q HN 0.408 nan 8.270 nan 0.000 0.434 288 Y N -0.958 119.343 120.300 0.002 0.000 2.681 288 Y HA 0.248 4.798 4.550 -0.000 0.000 0.347 288 Y C -1.998 173.865 175.900 -0.062 0.000 1.029 288 Y CA -2.200 55.870 58.100 -0.050 0.000 1.279 288 Y CB 1.419 39.788 38.460 -0.152 0.000 1.096 288 Y HN 0.052 nan 8.280 nan 0.000 0.580 289 P HA -0.149 nan 4.420 nan 0.000 0.217 289 P C 1.433 178.761 177.300 0.046 0.000 1.150 289 P CA 1.581 64.761 63.100 0.133 0.000 0.832 289 P CB 0.421 32.216 31.700 0.158 0.000 0.787 290 S N -0.130 115.597 115.700 0.046 0.000 2.399 290 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 290 S C 1.259 175.841 174.600 -0.031 0.000 1.022 290 S CA 1.106 59.310 58.200 0.007 0.000 0.983 290 S CB -0.706 62.506 63.200 0.019 0.000 0.803 290 S HN 0.320 nan 8.310 nan 0.000 0.480 291 E N 1.178 121.346 120.200 -0.053 0.000 2.419 291 E HA 0.271 4.621 4.350 -0.000 0.000 0.190 291 E C 1.151 177.667 176.600 -0.140 0.000 1.040 291 E CA -0.073 56.260 56.400 -0.112 0.000 0.900 291 E CB -0.114 29.479 29.700 -0.179 0.000 1.054 291 E HN 0.276 nan 8.360 nan 0.000 0.462 292 S N 1.538 117.174 115.700 -0.108 0.000 2.380 292 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 292 S C 1.874 176.409 174.600 -0.107 0.000 1.043 292 S CA 1.567 59.697 58.200 -0.116 0.000 1.038 292 S CB -0.023 63.134 63.200 -0.073 0.000 0.872 292 S HN 0.442 nan 8.310 nan 0.000 0.456 293 E N 0.866 121.013 120.200 -0.088 0.000 2.051 293 E HA -0.271 4.079 4.350 -0.000 0.000 0.192 293 E C 2.259 178.840 176.600 -0.032 0.000 0.991 293 E CA 1.459 57.821 56.400 -0.063 0.000 0.799 293 E CB -0.138 29.517 29.700 -0.075 0.000 0.748 293 E HN 0.748 nan 8.360 nan 0.000 0.449 294 Q N 0.214 119.984 119.800 -0.049 0.000 2.230 294 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 294 Q C 1.999 177.986 176.000 -0.021 0.000 0.963 294 Q CA 1.424 57.209 55.803 -0.029 0.000 0.866 294 Q CB -0.305 28.412 28.738 -0.036 0.000 0.931 294 Q HN 0.359 nan 8.270 nan 0.000 0.452 295 I N 0.193 120.724 120.570 -0.065 0.000 2.394 295 I HA -0.195 3.975 4.170 -0.000 0.000 0.251 295 I C 1.786 177.883 176.117 -0.034 0.000 1.136 295 I CA 0.596 61.872 61.300 -0.039 0.000 1.425 295 I CB -0.127 37.776 38.000 -0.162 0.000 1.079 295 I HN 0.313 nan 8.210 nan 0.000 0.425 296 L N 0.576 121.760 121.223 -0.066 0.000 2.341 296 L HA -0.070 4.269 4.340 -0.000 0.000 0.214 296 L C 2.816 179.676 176.870 -0.016 0.000 1.115 296 L CA 1.920 56.714 54.840 -0.076 0.000 0.820 296 L CB -1.510 40.543 42.059 -0.011 0.000 0.944 296 L HN 0.419 nan 8.230 nan 0.000 0.452 297 T N -3.768 110.795 114.554 0.014 0.000 2.778 297 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 297 T C 2.041 176.748 174.700 0.011 0.000 1.050 297 T CA 1.650 63.763 62.100 0.022 0.000 1.137 297 T CB -0.397 68.486 68.868 0.024 0.000 0.860 297 T HN 0.210 nan 8.240 nan 0.000 0.468 298 S N 0.769 116.477 115.700 0.013 0.000 2.368 298 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 298 S C 2.138 176.745 174.600 0.011 0.000 1.029 298 S CA 0.993 59.203 58.200 0.015 0.000 0.988 298 S CB -0.615 62.600 63.200 0.025 0.000 0.838 298 S HN 0.403 nan 8.310 nan 0.000 0.462 299 V N 2.149 122.067 119.914 0.007 0.000 2.871 299 V HA -0.025 4.094 4.120 -0.000 0.000 0.256 299 V C 1.756 177.841 176.094 -0.015 0.000 1.082 299 V CA 0.839 63.145 62.300 0.010 0.000 1.105 299 V CB -0.519 31.328 31.823 0.041 0.000 0.713 299 V HN 0.332 nan 8.190 nan 0.000 0.473 300 I N 0.227 120.776 120.570 -0.035 0.000 2.179 300 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 300 I C 2.586 178.694 176.117 -0.015 0.000 1.088 300 I CA 1.526 62.796 61.300 -0.050 0.000 1.357 300 I CB -1.325 36.652 38.000 -0.038 0.000 1.051 300 I HN 0.389 nan 8.210 nan 0.000 0.409 301 E N 0.503 120.703 120.200 -0.001 0.000 2.171 301 E HA -0.166 4.183 4.350 -0.000 0.000 0.197 301 E C 2.344 178.950 176.600 0.010 0.000 0.997 301 E CA 1.119 57.523 56.400 0.007 0.000 0.810 301 E CB -0.040 29.666 29.700 0.009 0.000 0.738 301 E HN 0.363 nan 8.360 nan 0.000 0.467 302 V N 1.017 120.938 119.914 0.011 0.000 2.500 302 V HA -0.144 3.976 4.120 -0.000 0.000 0.243 302 V C 2.492 178.606 176.094 0.033 0.000 1.039 302 V CA 1.473 63.784 62.300 0.019 0.000 1.053 302 V CB -0.294 31.540 31.823 0.019 0.000 0.695 302 V HN 0.273 nan 8.190 nan 0.000 0.463 303 S N 0.642 116.358 115.700 0.027 0.000 2.402 303 S HA -0.211 4.258 4.470 -0.000 0.000 0.229 303 S C 2.022 176.672 174.600 0.084 0.000 1.021 303 S CA 1.109 59.343 58.200 0.057 0.000 0.974 303 S CB -0.523 62.672 63.200 -0.009 0.000 0.800 303 S HN 0.506 nan 8.310 nan 0.000 0.484 304 R N 1.433 121.956 120.500 0.039 0.000 2.170 304 R HA -0.012 4.328 4.340 -0.000 0.000 0.242 304 R C 2.601 178.920 176.300 0.031 0.000 1.145 304 R CA 1.095 57.216 56.100 0.035 0.000 0.984 304 R CB -0.826 29.486 30.300 0.020 0.000 0.869 304 R HN 0.602 nan 8.270 nan 0.000 0.455 305 A N 0.489 123.327 122.820 0.030 0.000 1.917 305 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 305 A C 1.637 179.210 177.584 -0.017 0.000 1.182 305 A CA 2.152 54.195 52.037 0.010 0.000 0.633 305 A CB -0.112 18.896 19.000 0.014 0.000 0.819 305 A HN 0.424 nan 8.150 nan 0.000 0.448 306 S N -2.666 113.012 115.700 -0.035 0.000 3.093 306 S HA 0.365 4.835 4.470 -0.000 0.000 0.251 306 S C -0.336 174.048 174.600 -0.359 0.000 0.905 306 S CA -0.627 57.472 58.200 -0.169 0.000 1.124 306 S CB -0.073 63.001 63.200 -0.211 0.000 1.124 306 S HN 0.527 nan 8.310 nan 0.000 0.574 307 H N 0.787 119.854 119.070 -0.005 0.000 2.974 307 H HA 0.486 5.042 4.556 -0.000 0.000 0.366 307 H C -1.236 174.088 175.328 -0.006 0.000 1.155 307 H CA -0.425 55.619 56.048 -0.007 0.000 1.186 307 H CB 2.008 31.760 29.762 -0.017 0.000 1.799 307 H HN 0.268 nan 8.280 nan 0.000 0.541 308 E N 1.110 121.398 120.200 0.145 0.000 2.313 308 E HA 0.062 4.412 4.350 -0.000 0.000 0.276 308 E C 0.298 176.928 176.600 0.051 0.000 1.031 308 E CA -0.159 56.297 56.400 0.093 0.000 0.857 308 E CB 0.695 30.459 29.700 0.107 0.000 1.040 308 E HN 0.415 nan 8.360 nan 0.000 0.408 309 D N 1.632 122.042 120.400 0.016 0.000 2.172 309 D HA -0.241 4.399 4.640 -0.000 0.000 0.196 309 D C 1.628 177.854 176.300 -0.122 0.000 0.999 309 D CA 1.893 55.832 54.000 -0.101 0.000 0.856 309 D CB -0.275 40.529 40.800 0.005 0.000 0.934 309 D HN 0.521 nan 8.370 nan 0.000 0.453 310 S N -0.153 115.576 115.700 0.048 0.000 2.400 310 S HA -0.156 4.314 4.470 -0.000 0.000 0.232 310 S C 2.223 176.849 174.600 0.044 0.000 1.025 310 S CA 1.007 59.239 58.200 0.053 0.000 0.993 310 S CB -0.735 62.466 63.200 0.002 0.000 0.808 310 S HN 0.146 nan 8.310 nan 0.000 0.478 311 V N 2.544 122.476 119.914 0.029 0.000 2.332 311 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 311 V C 2.803 178.879 176.094 -0.029 0.000 1.055 311 V CA 1.766 64.076 62.300 0.016 0.000 1.038 311 V CB -0.987 30.851 31.823 0.026 0.000 0.651 311 V HN 0.656 nan 8.190 nan 0.000 0.450 312 V N -2.642 117.212 119.914 -0.100 0.000 2.379 312 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 312 V C 2.279 178.455 176.094 0.137 0.000 1.044 312 V CA 1.576 63.849 62.300 -0.045 0.000 1.036 312 V CB -1.326 30.406 31.823 -0.152 0.000 0.664 312 V HN 0.413 nan 8.190 nan 0.000 0.453 313 Y N 0.758 121.127 120.300 0.115 0.000 2.181 313 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 313 Y C 2.939 178.908 175.900 0.114 0.000 1.146 313 Y CA 1.560 59.717 58.100 0.095 0.000 1.164 313 Y CB -0.853 37.597 38.460 -0.016 0.000 0.982 313 Y HN 0.217 nan 8.280 nan 0.000 0.515 314 Q N -0.108 119.820 119.800 0.213 0.000 2.167 314 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 314 Q C 1.959 178.040 176.000 0.135 0.000 0.970 314 Q CA 1.771 57.658 55.803 0.141 0.000 0.855 314 Q CB -0.292 28.506 28.738 0.100 0.000 0.911 314 Q HN 0.473 nan 8.270 nan 0.000 0.438 315 T N -0.165 114.458 114.554 0.114 0.000 2.821 315 T HA -0.128 4.221 4.350 -0.000 0.000 0.267 315 T C 1.392 176.142 174.700 0.083 0.000 1.046 315 T CA 1.158 63.263 62.100 0.008 0.000 1.139 315 T CB -0.276 68.506 68.868 -0.144 0.000 0.871 315 T HN 0.333 nan 8.240 nan 0.000 0.454 316 Y N 0.350 120.785 120.300 0.226 0.000 2.365 316 Y HA 0.165 4.715 4.550 -0.000 0.000 0.293 316 Y C 2.064 178.085 175.900 0.202 0.000 1.119 316 Y CA 0.104 58.373 58.100 0.281 0.000 1.203 316 Y CB -0.268 38.320 38.460 0.214 0.000 1.026 316 Y HN 0.088 nan 8.280 nan 0.000 0.549 317 L N -0.671 120.734 121.223 0.303 0.000 1.994 317 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 317 L C 2.261 179.227 176.870 0.161 0.000 1.071 317 L CA 1.937 56.894 54.840 0.195 0.000 0.745 317 L CB -0.939 41.202 42.059 0.138 0.000 0.892 317 L HN -0.011 nan 8.230 nan 0.000 0.431 318 S N -0.750 115.034 115.700 0.141 0.000 2.368 318 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 318 S C 1.971 176.648 174.600 0.129 0.000 1.030 318 S CA 1.428 59.694 58.200 0.109 0.000 0.999 318 S CB -0.411 62.835 63.200 0.077 0.000 0.844 318 S HN 0.559 nan 8.310 nan 0.000 0.459 319 S N 1.031 116.836 115.700 0.175 0.000 2.382 319 S HA -0.039 4.430 4.470 -0.000 0.000 0.228 319 S C 1.982 176.727 174.600 0.242 0.000 1.027 319 S CA 0.843 59.178 58.200 0.226 0.000 0.991 319 S CB -0.322 63.105 63.200 0.378 0.000 0.823 319 S HN 0.311 nan 8.310 nan 0.000 0.469 320 V N 2.780 122.854 119.914 0.268 0.000 2.358 320 V HA -0.135 3.984 4.120 -0.000 0.000 0.246 320 V C 2.153 178.339 176.094 0.154 0.000 1.047 320 V CA 1.421 63.904 62.300 0.304 0.000 1.035 320 V CB -0.700 31.331 31.823 0.348 0.000 0.658 320 V HN 0.415 nan 8.190 nan 0.000 0.452 321 N N 0.273 119.033 118.700 0.100 0.000 2.120 321 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 321 N C 1.808 177.337 175.510 0.033 0.000 1.024 321 N CA 1.441 54.513 53.050 0.036 0.000 0.852 321 N CB -0.205 38.312 38.487 0.050 0.000 1.003 321 N HN 0.587 nan 8.380 nan 0.000 0.424 322 E N 0.072 120.315 120.200 0.071 0.000 2.371 322 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 322 E C 0.110 176.754 176.600 0.073 0.000 1.012 322 E CA 0.061 56.505 56.400 0.073 0.000 0.860 322 E CB 0.252 29.998 29.700 0.077 0.000 0.811 322 E HN 0.127 nan 8.360 nan 0.000 0.502 323 S N 1.686 117.431 115.700 0.075 0.000 2.603 323 S HA 0.190 4.660 4.470 -0.000 0.000 0.268 323 S C -2.336 172.281 174.600 0.029 0.000 1.317 323 S CA -1.233 57.001 58.200 0.057 0.000 1.012 323 S CB 0.699 63.944 63.200 0.076 0.000 0.926 323 S HN -0.055 nan 8.310 nan 0.000 0.539 324 P HA 0.095 nan 4.420 nan 0.000 0.265 324 P C -0.025 177.330 177.300 0.092 0.000 1.193 324 P CA 0.201 63.352 63.100 0.084 0.000 0.765 324 P CB 0.250 31.954 31.700 0.007 0.000 0.823 325 H N 0.485 119.572 119.070 0.028 0.000 2.491 325 H HA -0.084 4.472 4.556 -0.000 0.000 0.290 325 H C 0.896 176.271 175.328 0.078 0.000 1.050 325 H CA 1.444 57.533 56.048 0.068 0.000 1.309 325 H CB -0.409 29.372 29.762 0.030 0.000 1.392 325 H HN 0.475 nan 8.280 nan 0.000 0.554 326 D N -0.003 120.470 120.400 0.123 0.000 2.363 326 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 326 D C 1.857 178.126 176.300 -0.053 0.000 1.020 326 D CA 0.313 54.340 54.000 0.045 0.000 0.892 326 D CB -0.218 40.592 40.800 0.017 0.000 0.900 326 D HN 0.591 nan 8.370 nan 0.000 0.531 327 I N -3.035 117.427 120.570 -0.180 0.000 3.001 327 I HA 0.011 4.181 4.170 -0.000 0.000 0.268 327 I C 0.184 175.973 176.117 -0.548 0.000 1.267 327 I CA 0.457 61.463 61.300 -0.490 0.000 1.472 327 I CB -0.267 37.158 38.000 -0.958 0.000 1.089 327 I HN -0.263 nan 8.210 nan 0.000 0.468 331 E N 1.587 121.804 120.200 0.027 0.000 2.085 331 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 331 E C 1.960 178.537 176.600 -0.039 0.000 0.994 331 E CA 2.372 58.777 56.400 0.008 0.000 0.801 331 E CB -0.305 29.407 29.700 0.020 0.000 0.743 331 E HN 0.731 nan 8.360 nan 0.000 0.453 332 S N -0.080 115.605 115.700 -0.026 0.000 2.423 332 S HA -0.117 4.352 4.470 -0.000 0.000 0.231 332 S C 1.730 176.291 174.600 -0.064 0.000 1.014 332 S CA 0.859 59.036 58.200 -0.038 0.000 0.965 332 S CB -0.211 62.979 63.200 -0.016 0.000 0.785 332 S HN 0.216 nan 8.310 nan 0.000 0.495 333 E N 1.483 121.650 120.200 -0.055 0.000 2.107 333 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 333 E C 2.247 178.685 176.600 -0.270 0.000 0.982 333 E CA 0.573 56.939 56.400 -0.057 0.000 0.809 333 E CB -0.272 29.468 29.700 0.067 0.000 0.756 333 E HN 0.625 nan 8.360 nan 0.000 0.459 334 R N 0.946 121.165 120.500 -0.469 0.000 2.081 334 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 334 R C 1.979 177.969 176.300 -0.517 0.000 1.131 334 R CA 1.148 56.673 56.100 -0.958 0.000 0.960 334 R CB 0.161 30.047 30.300 -0.691 0.000 0.856 334 R HN -0.010 nan 8.270 nan 0.000 0.436 335 E N 0.543 120.581 120.200 -0.270 0.000 2.106 335 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 335 E C 2.017 178.537 176.600 -0.133 0.000 0.984 335 E CA 0.977 57.280 56.400 -0.161 0.000 0.806 335 E CB -0.107 29.538 29.700 -0.093 0.000 0.750 335 E HN 0.473 nan 8.360 nan 0.000 0.458 336 I N 0.902 121.395 120.570 -0.128 0.000 2.252 336 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 336 I C 2.397 178.464 176.117 -0.083 0.000 1.102 336 I CA 1.004 62.255 61.300 -0.082 0.000 1.385 336 I CB -0.248 37.722 38.000 -0.050 0.000 1.064 336 I HN -0.002 nan 8.210 nan 0.000 0.414 337 A N 0.922 123.667 122.820 -0.125 0.000 1.898 337 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 337 A C 2.267 179.817 177.584 -0.055 0.000 1.181 337 A CA 1.318 53.318 52.037 -0.062 0.000 0.620 337 A CB -0.695 18.280 19.000 -0.041 0.000 0.819 337 A HN 0.362 nan 8.150 nan 0.000 0.442 338 I N 0.028 120.532 120.570 -0.110 0.000 2.315 338 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 338 I C 2.083 178.173 176.117 -0.045 0.000 1.117 338 I CA 1.005 62.267 61.300 -0.063 0.000 1.404 338 I CB -0.410 37.538 38.000 -0.087 0.000 1.071 338 I HN 0.312 nan 8.210 nan 0.000 0.419 339 N N 1.051 119.716 118.700 -0.057 0.000 2.142 339 N HA -0.073 4.667 4.740 -0.000 0.000 0.186 339 N C 1.969 177.445 175.510 -0.057 0.000 1.023 339 N CA 1.298 54.319 53.050 -0.049 0.000 0.852 339 N CB -0.164 38.294 38.487 -0.047 0.000 0.998 339 N HN 0.326 nan 8.380 nan 0.000 0.424 340 I N 1.112 121.644 120.570 -0.062 0.000 2.179 340 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 340 I C 2.059 178.110 176.117 -0.110 0.000 1.088 340 I CA 0.903 62.154 61.300 -0.081 0.000 1.357 340 I CB -0.181 37.777 38.000 -0.071 0.000 1.051 340 I HN 0.058 nan 8.210 nan 0.000 0.409 341 L N 0.004 121.183 121.223 -0.072 0.000 2.093 341 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 341 L C 2.716 179.537 176.870 -0.082 0.000 1.085 341 L CA 1.163 55.965 54.840 -0.064 0.000 0.755 341 L CB -0.478 41.603 42.059 0.038 0.000 0.904 341 L HN 0.172 nan 8.230 nan 0.000 0.435 342 R N 0.324 120.790 120.500 -0.056 0.000 2.075 342 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 342 R C 2.125 178.373 176.300 -0.086 0.000 1.126 342 R CA 1.385 57.456 56.100 -0.048 0.000 0.963 342 R CB -0.014 30.272 30.300 -0.023 0.000 0.858 342 R HN 0.356 nan 8.270 nan 0.000 0.435 343 E N -0.183 119.956 120.200 -0.102 0.000 2.268 343 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 343 E C 1.603 178.089 176.600 -0.190 0.000 0.995 343 E CA 0.561 56.892 56.400 -0.114 0.000 0.836 343 E CB 0.108 29.750 29.700 -0.096 0.000 0.763 343 E HN 0.177 nan 8.360 nan 0.000 0.491 344 L N 0.052 121.097 121.223 -0.298 0.000 2.072 344 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 344 L C 2.231 178.818 176.870 -0.473 0.000 1.079 344 L CA 1.133 55.635 54.840 -0.563 0.000 0.752 344 L CB -0.580 40.878 42.059 -1.001 0.000 0.906 344 L HN 0.008 nan 8.230 nan 0.000 0.436 345 V N -1.070 118.657 119.914 -0.312 0.000 2.407 345 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 345 V C 2.409 178.191 176.094 -0.520 0.000 1.055 345 V CA 2.043 64.137 62.300 -0.342 0.000 1.049 345 V CB -0.928 30.736 31.823 -0.266 0.000 0.662 345 V HN 0.455 nan 8.190 nan 0.000 0.455 346 T N -0.314 114.090 114.554 -0.250 0.000 2.777 346 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 346 T C 2.156 176.838 174.700 -0.029 0.000 1.040 346 T CA 1.818 63.879 62.100 -0.065 0.000 1.141 346 T CB -0.227 68.642 68.868 0.003 0.000 0.868 346 T HN 0.492 nan 8.240 nan 0.000 0.444 347 S N 1.317 116.965 115.700 -0.086 0.000 2.382 347 S HA -0.008 4.462 4.470 -0.000 0.000 0.228 347 S C 2.572 177.173 174.600 0.003 0.000 1.027 347 S CA 0.893 59.068 58.200 -0.042 0.000 0.991 347 S CB -0.509 62.640 63.200 -0.085 0.000 0.823 347 S HN 0.582 nan 8.310 nan 0.000 0.469 348 A N 1.024 123.827 122.820 -0.027 0.000 1.877 348 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 348 A C 0.880 178.542 177.584 0.130 0.000 1.186 348 A CA 1.027 53.100 52.037 0.060 0.000 0.620 348 A CB -0.751 18.297 19.000 0.080 0.000 0.822 348 A HN 0.400 nan 8.150 nan 0.000 0.443 353 L N 1.534 122.798 121.223 0.068 0.000 2.023 353 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 353 L C 1.199 178.090 176.870 0.035 0.000 1.073 353 L CA 1.479 56.346 54.840 0.044 0.000 0.745 353 L CB -0.118 41.965 42.059 0.042 0.000 0.900 353 L HN 0.097 nan 8.230 nan 0.000 0.435 354 S N 0.716 116.438 115.700 0.038 0.000 3.919 354 S HA 0.341 4.810 4.470 -0.000 0.000 0.245 354 S C 0.074 174.692 174.600 0.029 0.000 1.344 354 S CA -0.472 57.745 58.200 0.029 0.000 0.896 354 S CB 0.062 63.278 63.200 0.028 0.000 1.557 354 S HN 0.222 nan 8.310 nan 0.000 0.468 355 R N 0.000 120.516 120.500 0.026 0.000 2.786 355 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 355 R CA 0.000 56.115 56.100 0.024 0.000 0.921 355 R CB 0.000 30.317 30.300 0.029 0.000 0.687 355 R HN 0.000 nan 8.270 nan 0.000 0.535