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 2du8_1_J DATA FIRST_RESID 3001 DATA SEQUENCE MRVVVIGAGV IGLSTALCIH ERYHSVLQPL DIKVYADRFT PLTTTDVAAG DATA SEQUENCE LWQPYLSDPN NPQEADWSQQ TFDYLLSHVH SPNAENLGLF LISGYNLFHE DATA SEQUENCE AIPDPSWKDT VLGFRKLTPR ELDMFPDYGY GWFHTSLILE GKNYLQWLTE DATA SEQUENCE RLTERGVKFF QRKVESFEEV AREGADVIVN CTGVWAGALQ RDPLLQPGRG DATA SEQUENCE QIMKVDAPWM KHFILTHDPE RGIYNSPYII PGTQTVTLGG IFQLGNWSEL DATA SEQUENCE NNIQDHNTIW EGCCRLEPTL KNARIIGERT GFRPVRPQIR LEREQLRTGP DATA SEQUENCE SNTEVIHNYG HGGYGLTIHW GCALEAAKLF GRILEEKKLS 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 3001 M HA 0.000 nan 4.480 nan 0.000 0.227 3001 M C 0.000 176.335 176.300 0.058 0.000 1.140 3001 M CA 0.000 55.321 55.300 0.036 0.000 0.988 3001 M CB 0.000 32.632 32.600 0.053 0.000 1.302 3002 R N 2.659 123.187 120.500 0.045 0.000 2.239 3002 R HA 0.800 5.140 4.340 -0.000 0.000 0.332 3002 R C -0.980 175.346 176.300 0.044 0.000 0.988 3002 R CA -0.635 55.491 56.100 0.043 0.000 0.859 3002 R CB 1.337 31.653 30.300 0.028 0.000 1.148 3002 R HN 0.456 nan 8.270 nan 0.000 0.482 3003 V N 3.595 123.538 119.914 0.049 0.000 2.483 3003 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 3003 V C -0.105 175.963 176.094 -0.044 0.000 1.035 3003 V CA -0.849 61.472 62.300 0.036 0.000 0.896 3003 V CB 2.036 33.893 31.823 0.056 0.000 0.986 3003 V HN 0.362 nan 8.190 nan 0.000 0.447 3004 V N 4.656 124.522 119.914 -0.080 0.000 2.482 3004 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 3004 V C -0.384 175.627 176.094 -0.138 0.000 1.026 3004 V CA -0.548 61.632 62.300 -0.200 0.000 0.856 3004 V CB 2.028 33.684 31.823 -0.278 0.000 1.001 3004 V HN 0.648 nan 8.190 nan 0.000 0.424 3005 V N 6.369 126.192 119.914 -0.152 0.000 2.370 3005 V HA 0.484 4.604 4.120 -0.000 0.000 0.279 3005 V C -0.006 176.050 176.094 -0.063 0.000 1.029 3005 V CA -0.378 61.871 62.300 -0.084 0.000 0.870 3005 V CB 1.447 33.221 31.823 -0.083 0.000 0.984 3005 V HN 0.679 nan 8.190 nan 0.000 0.451 3006 I N 4.590 125.169 120.570 0.014 0.000 2.304 3006 I HA 0.738 4.908 4.170 -0.000 0.000 0.291 3006 I C 0.739 176.868 176.117 0.021 0.000 1.018 3006 I CA -0.007 61.328 61.300 0.058 0.000 1.260 3006 I CB 1.154 39.231 38.000 0.129 0.000 1.390 3006 I HN 0.880 nan 8.210 nan 0.000 0.475 3007 G N 4.425 113.195 108.800 -0.050 0.000 3.226 3007 G HA2 0.188 4.148 3.960 -0.000 0.000 0.685 3007 G HA3 0.188 4.148 3.960 -0.000 0.000 0.685 3007 G C -0.483 174.330 174.900 -0.144 0.000 1.207 3007 G CA -0.332 44.716 45.100 -0.086 0.000 0.877 3007 G HN 0.925 nan 8.290 nan 0.000 0.585 3008 A N 1.419 124.105 122.820 -0.222 0.000 2.676 3008 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 3008 A C 1.278 178.818 177.584 -0.074 0.000 1.132 3008 A CA 1.114 53.031 52.037 -0.199 0.000 0.972 3008 A CB -0.092 18.691 19.000 -0.361 0.000 1.197 3008 A HN 2.107 nan 8.150 nan 0.000 0.524 3009 G N -1.197 107.584 108.800 -0.032 0.000 2.509 3009 G HA2 0.340 4.300 3.960 -0.000 0.000 0.269 3009 G HA3 0.340 4.300 3.960 -0.000 0.000 0.269 3009 G C 1.125 176.037 174.900 0.020 0.000 1.416 3009 G CA 0.435 45.546 45.100 0.019 0.000 1.052 3009 G HN 0.483 nan 8.290 nan 0.000 0.542 3010 V N -0.191 119.737 119.914 0.024 0.000 2.490 3010 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 3010 V C 2.458 178.573 176.094 0.034 0.000 1.061 3010 V CA 1.393 63.711 62.300 0.029 0.000 1.064 3010 V CB -0.501 31.324 31.823 0.004 0.000 0.670 3010 V HN 0.495 nan 8.190 nan 0.000 0.461 3011 I N 0.624 121.182 120.570 -0.020 0.000 2.339 3011 I HA 0.030 4.200 4.170 -0.000 0.000 0.245 3011 I C 2.761 178.880 176.117 0.003 0.000 1.096 3011 I CA 1.521 62.793 61.300 -0.046 0.000 1.408 3011 I CB -2.124 35.776 38.000 -0.166 0.000 1.092 3011 I HN 0.374 nan 8.210 nan 0.000 0.423 3012 G N 1.841 110.642 108.800 0.003 0.000 2.529 3012 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 3012 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 3012 G C 1.809 176.697 174.900 -0.019 0.000 1.177 3012 G CA 0.756 45.847 45.100 -0.014 0.000 0.773 3012 G HN 0.289 nan 8.290 nan 0.000 0.573 3013 L N 1.136 122.357 121.223 -0.003 0.000 2.095 3013 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 3013 L C 3.379 180.286 176.870 0.060 0.000 1.080 3013 L CA 1.406 56.256 54.840 0.017 0.000 0.759 3013 L CB -0.477 41.601 42.059 0.031 0.000 0.914 3013 L HN 0.476 nan 8.230 nan 0.000 0.439 3014 S N -1.374 114.395 115.700 0.114 0.000 2.368 3014 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 3014 S C 1.946 176.616 174.600 0.116 0.000 1.029 3014 S CA 1.653 59.993 58.200 0.233 0.000 0.988 3014 S CB -0.748 62.732 63.200 0.466 0.000 0.838 3014 S HN 0.301 nan 8.310 nan 0.000 0.462 3015 T N 2.773 117.349 114.554 0.037 0.000 2.708 3015 T HA 0.077 4.427 4.350 -0.000 0.000 0.266 3015 T C 2.263 176.937 174.700 -0.043 0.000 1.037 3015 T CA 1.455 63.531 62.100 -0.039 0.000 1.146 3015 T CB -0.953 67.887 68.868 -0.047 0.000 0.865 3015 T HN 0.630 nan 8.240 nan 0.000 0.435 3016 A N 1.466 124.273 122.820 -0.023 0.000 1.892 3016 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 3016 A C 2.274 179.866 177.584 0.014 0.000 1.188 3016 A CA 1.821 53.846 52.037 -0.021 0.000 0.631 3016 A CB -0.920 18.074 19.000 -0.010 0.000 0.822 3016 A HN 0.453 nan 8.150 nan 0.000 0.447 3017 L N -0.573 120.673 121.223 0.038 0.000 2.017 3017 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 3017 L C 2.518 179.435 176.870 0.078 0.000 1.073 3017 L CA 2.438 57.308 54.840 0.051 0.000 0.745 3017 L CB -1.060 41.041 42.059 0.071 0.000 0.894 3017 L HN 0.478 nan 8.230 nan 0.000 0.432 3018 C N -0.350 118.976 119.300 0.043 0.000 2.425 3018 C HA -0.135 4.325 4.460 -0.000 0.000 0.277 3018 C C 2.715 177.673 174.990 -0.052 0.000 1.280 3018 C CA 1.005 59.995 59.018 -0.046 0.000 1.744 3018 C CB -1.022 26.577 27.740 -0.234 0.000 1.989 3018 C HN 0.649 nan 8.230 nan 0.000 0.491 3019 I N -0.505 120.031 120.570 -0.057 0.000 2.286 3019 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 3019 I C 2.725 178.845 176.117 0.005 0.000 1.104 3019 I CA 1.538 62.786 61.300 -0.085 0.000 1.397 3019 I CB -0.712 37.084 38.000 -0.340 0.000 1.072 3019 I HN 0.524 nan 8.210 nan 0.000 0.417 3020 H N 1.877 120.917 119.070 -0.050 0.000 2.357 3020 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 3020 H C 1.948 177.317 175.328 0.069 0.000 1.082 3020 H CA 1.934 57.987 56.048 0.010 0.000 1.342 3020 H CB 0.086 29.833 29.762 -0.025 0.000 1.389 3020 H HN 0.517 nan 8.280 nan 0.000 0.511 3021 E N 0.306 120.657 120.200 0.252 0.000 2.338 3021 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 3021 E C 2.213 178.872 176.600 0.099 0.000 1.007 3021 E CA 0.672 57.207 56.400 0.226 0.000 0.849 3021 E CB -0.191 29.611 29.700 0.171 0.000 0.774 3021 E HN 0.288 nan 8.360 nan 0.000 0.506 3022 R N -0.949 119.494 120.500 -0.095 0.000 2.334 3022 R HA 0.069 4.409 4.340 -0.000 0.000 0.212 3022 R C 0.175 176.039 176.300 -0.727 0.000 0.897 3022 R CA 0.235 56.074 56.100 -0.436 0.000 1.056 3022 R CB 0.467 30.396 30.300 -0.618 0.000 1.046 3022 R HN 0.199 nan 8.270 nan 0.000 0.513 3023 Y N -2.287 118.028 120.300 0.026 0.000 2.729 3023 Y HA 0.088 4.638 4.550 -0.000 0.000 0.266 3023 Y C 1.115 176.983 175.900 -0.053 0.000 1.064 3023 Y CA -0.389 57.725 58.100 0.024 0.000 1.251 3023 Y CB 0.013 38.579 38.460 0.176 0.000 1.379 3023 Y HN 0.218 nan 8.280 nan 0.000 0.569 3024 H N -1.403 117.592 119.070 -0.126 0.000 2.545 3024 H HA -0.011 4.545 4.556 -0.000 0.000 0.282 3024 H C 1.792 177.080 175.328 -0.067 0.000 1.020 3024 H CA 1.308 57.222 56.048 -0.223 0.000 1.243 3024 H CB 0.074 29.496 29.762 -0.566 0.000 1.377 3024 H HN 0.125 nan 8.280 nan 0.000 0.581 3025 S N 0.208 115.562 115.700 -0.577 0.000 2.492 3025 S HA -0.020 4.450 4.470 -0.000 0.000 0.218 3025 S C 1.663 176.176 174.600 -0.146 0.000 1.016 3025 S CA 0.175 58.118 58.200 -0.429 0.000 0.916 3025 S CB -0.041 62.906 63.200 -0.423 0.000 0.791 3025 S HN 0.417 nan 8.310 nan 0.000 0.513 3026 V N -1.107 118.779 119.914 -0.046 0.000 3.376 3026 V HA 0.568 4.688 4.120 -0.000 0.000 0.313 3026 V C -0.250 175.870 176.094 0.044 0.000 1.393 3026 V CA -0.397 61.919 62.300 0.026 0.000 1.125 3026 V CB -0.616 31.261 31.823 0.091 0.000 1.037 3026 V HN 0.386 nan 8.190 nan 0.000 0.440 3027 L N 0.846 122.092 121.223 0.039 0.000 2.491 3027 L HA 0.474 4.814 4.340 -0.000 0.000 0.267 3027 L C 1.010 177.898 176.870 0.030 0.000 0.971 3027 L CA -0.318 54.546 54.840 0.040 0.000 0.857 3027 L CB 1.954 44.057 42.059 0.074 0.000 1.226 3027 L HN 0.005 nan 8.230 nan 0.000 0.408 3028 Q N 3.418 123.230 119.800 0.020 0.000 1.956 3028 Q HA -0.063 4.277 4.340 -0.000 0.000 0.208 3028 Q C -1.375 174.647 176.000 0.036 0.000 0.998 3028 Q CA 1.785 57.602 55.803 0.022 0.000 0.855 3028 Q CB -0.739 28.009 28.738 0.017 0.000 0.928 3028 Q HN 0.428 nan 8.270 nan 0.000 0.418 3029 P HA 0.230 nan 4.420 nan 0.000 0.273 3029 P C -1.171 176.164 177.300 0.059 0.000 1.531 3029 P CA -0.178 62.950 63.100 0.047 0.000 1.027 3029 P CB 0.263 31.986 31.700 0.038 0.000 1.387 3030 L N 3.843 125.108 121.223 0.070 0.000 2.321 3030 L HA 0.396 4.736 4.340 -0.000 0.000 0.272 3030 L C -0.746 176.180 176.870 0.092 0.000 1.050 3030 L CA 0.012 54.902 54.840 0.084 0.000 0.893 3030 L CB 0.171 42.272 42.059 0.070 0.000 1.272 3030 L HN 0.133 nan 8.230 nan 0.000 0.435 3031 D N 6.608 127.062 120.400 0.090 0.000 2.454 3031 D HA 0.335 4.975 4.640 -0.000 0.000 0.225 3031 D C -0.213 176.138 176.300 0.084 0.000 1.081 3031 D CA 0.118 54.173 54.000 0.093 0.000 0.864 3031 D CB 1.348 42.196 40.800 0.080 0.000 1.040 3031 D HN 0.383 nan 8.370 nan 0.000 0.517 3032 I N 1.936 122.567 120.570 0.102 0.000 2.321 3032 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 3032 I C 0.523 176.691 176.117 0.086 0.000 0.998 3032 I CA -0.374 60.969 61.300 0.071 0.000 1.227 3032 I CB 1.051 39.101 38.000 0.083 0.000 1.368 3032 I HN -0.161 nan 8.210 nan 0.000 0.466 3033 K N 4.756 125.170 120.400 0.024 0.000 2.316 3033 K HA 0.679 4.999 4.320 -0.000 0.000 0.251 3033 K C -1.253 175.297 176.600 -0.083 0.000 0.934 3033 K CA -0.755 55.567 56.287 0.058 0.000 0.802 3033 K CB 2.667 35.217 32.500 0.084 0.000 1.171 3033 K HN 0.258 nan 8.250 nan 0.000 0.426 3034 V N 4.066 124.002 119.914 0.036 0.000 2.370 3034 V HA 0.301 4.421 4.120 -0.000 0.000 0.279 3034 V C -1.033 175.195 176.094 0.224 0.000 1.029 3034 V CA -0.735 61.513 62.300 -0.087 0.000 0.870 3034 V CB 0.486 32.026 31.823 -0.472 0.000 0.984 3034 V HN 0.561 nan 8.190 nan 0.000 0.451 3035 Y N 2.976 123.316 120.300 0.067 0.000 2.341 3035 Y HA 0.830 5.380 4.550 -0.000 0.000 0.337 3035 Y C 0.357 176.218 175.900 -0.066 0.000 1.014 3035 Y CA -1.394 56.763 58.100 0.095 0.000 1.111 3035 Y CB 1.839 40.338 38.460 0.065 0.000 1.194 3035 Y HN 0.749 nan 8.280 nan 0.000 0.462 3036 A N 2.117 124.951 122.820 0.025 0.000 2.594 3036 A HA 0.395 4.715 4.320 -0.000 0.000 0.295 3036 A C 0.323 177.715 177.584 -0.321 0.000 1.071 3036 A CA -0.540 51.272 52.037 -0.375 0.000 0.685 3036 A CB 1.456 19.866 19.000 -0.983 0.000 1.285 3036 A HN 0.599 nan 8.150 nan 0.000 0.405 3037 D N 0.433 120.643 120.400 -0.317 0.000 2.137 3037 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 3037 D C 0.434 176.603 176.300 -0.219 0.000 0.970 3037 D CA 1.085 54.947 54.000 -0.230 0.000 0.837 3037 D CB 0.274 40.907 40.800 -0.279 0.000 0.981 3037 D HN 0.670 nan 8.370 nan 0.000 0.475 3038 R N -0.990 119.303 120.500 -0.346 0.000 2.673 3038 R HA 0.476 4.816 4.340 -0.000 0.000 0.281 3038 R C -1.135 174.970 176.300 -0.325 0.000 0.991 3038 R CA -0.739 55.236 56.100 -0.209 0.000 0.896 3038 R CB 0.717 30.934 30.300 -0.138 0.000 1.201 3038 R HN -0.168 nan 8.270 nan 0.000 0.457 3039 F N -0.151 119.800 119.950 0.001 0.000 2.611 3039 F HA 0.324 4.851 4.527 -0.000 0.000 0.374 3039 F C 2.277 178.099 175.800 0.036 0.000 1.110 3039 F CA -0.552 57.462 58.000 0.025 0.000 1.090 3039 F CB 1.210 40.243 39.000 0.056 0.000 1.388 3039 F HN 0.727 nan 8.300 nan 0.000 0.501 3040 T N 1.360 116.099 114.554 0.309 0.000 2.824 3040 T HA -0.193 4.157 4.350 -0.000 0.000 0.259 3040 T C -0.895 173.881 174.700 0.126 0.000 1.024 3040 T CA 2.509 64.720 62.100 0.184 0.000 1.164 3040 T CB -0.833 68.137 68.868 0.170 0.000 0.836 3040 T HN 0.340 nan 8.240 nan 0.000 0.485 3041 P HA 0.177 nan 4.420 nan 0.000 0.230 3041 P C 0.867 178.211 177.300 0.073 0.000 1.168 3041 P CA 0.760 63.910 63.100 0.084 0.000 0.793 3041 P CB -0.118 31.624 31.700 0.071 0.000 0.851 3042 L N -0.265 121.003 121.223 0.076 0.000 3.110 3042 L HA 0.298 4.638 4.340 -0.000 0.000 0.266 3042 L C 0.847 177.753 176.870 0.059 0.000 1.257 3042 L CA -0.281 54.594 54.840 0.059 0.000 1.038 3042 L CB -0.194 41.894 42.059 0.049 0.000 1.395 3042 L HN -0.065 nan 8.230 nan 0.000 0.566 3043 T N -5.259 109.338 114.554 0.071 0.000 2.948 3043 T HA 0.253 4.603 4.350 -0.000 0.000 0.285 3043 T C 1.138 175.907 174.700 0.115 0.000 1.019 3043 T CA -0.256 61.903 62.100 0.098 0.000 1.013 3043 T CB 1.786 70.699 68.868 0.076 0.000 1.117 3043 T HN 0.011 nan 8.240 nan 0.000 0.533 3044 T N 1.184 115.838 114.554 0.166 0.000 2.833 3044 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 3044 T C 2.027 176.762 174.700 0.057 0.000 1.054 3044 T CA 1.953 64.116 62.100 0.106 0.000 1.135 3044 T CB -0.815 68.130 68.868 0.127 0.000 0.869 3044 T HN 0.811 nan 8.240 nan 0.000 0.466 3045 T N 2.236 116.830 114.554 0.067 0.000 2.788 3045 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 3045 T C 1.662 176.391 174.700 0.049 0.000 1.044 3045 T CA 1.166 63.295 62.100 0.048 0.000 1.139 3045 T CB -0.398 68.504 68.868 0.057 0.000 0.867 3045 T HN 0.464 nan 8.240 nan 0.000 0.454 3046 D N 0.956 121.391 120.400 0.058 0.000 2.144 3046 D HA -0.063 4.576 4.640 -0.000 0.000 0.199 3046 D C 2.098 178.420 176.300 0.038 0.000 0.984 3046 D CA 0.851 54.883 54.000 0.055 0.000 0.834 3046 D CB -0.183 40.653 40.800 0.059 0.000 0.955 3046 D HN 0.271 nan 8.370 nan 0.000 0.465 3047 V N 1.286 121.215 119.914 0.025 0.000 2.871 3047 V HA -0.014 4.106 4.120 -0.000 0.000 0.256 3047 V C 1.261 177.359 176.094 0.007 0.000 1.082 3047 V CA 0.441 62.745 62.300 0.007 0.000 1.105 3047 V CB -0.554 31.256 31.823 -0.020 0.000 0.713 3047 V HN 0.113 nan 8.190 nan 0.000 0.473 3048 A N 0.051 122.874 122.820 0.004 0.000 2.425 3048 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 3048 A C 1.561 179.141 177.584 -0.007 0.000 1.084 3048 A CA 0.456 52.486 52.037 -0.012 0.000 0.781 3048 A CB 0.583 19.569 19.000 -0.024 0.000 1.019 3048 A HN 0.422 nan 8.150 nan 0.000 0.490 3049 A N 1.753 124.563 122.820 -0.018 0.000 1.968 3049 A HA 0.383 4.703 4.320 -0.000 0.000 0.217 3049 A C 1.836 179.393 177.584 -0.046 0.000 1.169 3049 A CA 1.597 53.629 52.037 -0.009 0.000 0.638 3049 A CB -0.735 18.268 19.000 0.005 0.000 0.812 3049 A HN 2.641 nan 8.150 nan 0.000 0.446 3050 G N -2.110 106.637 108.800 -0.088 0.000 2.144 3050 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 3050 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 3050 G C 0.039 174.849 174.900 -0.150 0.000 0.988 3050 G CA 0.104 45.138 45.100 -0.109 0.000 0.659 3050 G HN 1.051 nan 8.290 nan 0.000 0.522 3051 L N 0.603 121.716 121.223 -0.183 0.000 2.455 3051 L HA 0.612 4.952 4.340 -0.000 0.000 0.272 3051 L C 0.536 177.318 176.870 -0.147 0.000 1.174 3051 L CA -1.066 53.640 54.840 -0.224 0.000 0.869 3051 L CB 0.310 42.163 42.059 -0.344 0.000 1.130 3051 L HN 0.233 nan 8.230 nan 0.000 0.474 3052 W N 7.355 128.517 121.300 -0.231 0.000 2.485 3052 W HA 0.423 5.083 4.660 -0.000 0.000 0.315 3052 W C -0.342 176.037 176.519 -0.233 0.000 1.304 3052 W CA -0.038 57.222 57.345 -0.141 0.000 1.345 3052 W CB 0.067 29.529 29.460 0.003 0.000 1.368 3052 W HN 0.678 nan 8.180 nan 0.000 0.497 3053 Q N 7.709 127.066 119.800 -0.737 0.000 2.548 3053 Q HA 0.208 4.548 4.340 -0.000 0.000 0.232 3053 Q C -2.638 172.829 176.000 -0.889 0.000 0.838 3053 Q CA -1.470 53.756 55.803 -0.961 0.000 1.032 3053 Q CB 1.636 30.100 28.738 -0.457 0.000 1.548 3053 Q HN 0.157 nan 8.270 nan 0.000 0.479 3054 P HA 0.120 nan 4.420 nan 0.000 0.274 3054 P C -0.849 176.367 177.300 -0.141 0.000 1.256 3054 P CA -0.253 62.416 63.100 -0.718 0.000 0.795 3054 P CB 0.354 31.651 31.700 -0.671 0.000 1.038 3055 Y N -0.122 120.056 120.300 -0.203 0.000 2.607 3055 Y HA -0.079 4.471 4.550 -0.000 0.000 0.348 3055 Y C 1.926 177.938 175.900 0.187 0.000 1.261 3055 Y CA -0.253 57.822 58.100 -0.042 0.000 1.480 3055 Y CB -0.472 37.897 38.460 -0.151 0.000 1.358 3055 Y HN 0.240 nan 8.280 nan 0.000 0.630 3056 L N 0.792 122.199 121.223 0.308 0.000 1.988 3056 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 3056 L C 1.299 178.232 176.870 0.105 0.000 1.071 3056 L CA 1.691 56.681 54.840 0.250 0.000 0.744 3056 L CB -1.047 41.073 42.059 0.102 0.000 0.893 3056 L HN 0.794 nan 8.230 nan 0.000 0.433 3057 S N -0.538 115.193 115.700 0.052 0.000 2.587 3057 S HA -0.030 4.440 4.470 -0.000 0.000 0.260 3057 S C -0.046 174.560 174.600 0.010 0.000 1.353 3057 S CA -0.703 57.498 58.200 0.002 0.000 0.995 3057 S CB 0.612 63.803 63.200 -0.015 0.000 0.912 3057 S HN 0.218 nan 8.310 nan 0.000 0.568 3058 D N 1.796 122.182 120.400 -0.024 0.000 2.382 3058 D HA 0.386 5.026 4.640 -0.000 0.000 0.245 3058 D C -1.976 174.317 176.300 -0.012 0.000 1.120 3058 D CA -0.951 53.030 54.000 -0.031 0.000 0.890 3058 D CB 0.387 41.155 40.800 -0.052 0.000 1.201 3058 D HN 0.438 nan 8.370 nan 0.000 0.433 3059 P HA 0.049 nan 4.420 nan 0.000 0.275 3059 P C 0.267 177.556 177.300 -0.017 0.000 1.227 3059 P CA -0.189 62.898 63.100 -0.021 0.000 0.781 3059 P CB 0.839 32.513 31.700 -0.043 0.000 0.906 3060 N N 2.142 120.845 118.700 0.004 0.000 2.104 3060 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 3060 N C 0.325 175.824 175.510 -0.020 0.000 1.024 3060 N CA 0.770 53.821 53.050 0.002 0.000 0.853 3060 N CB 0.002 38.504 38.487 0.025 0.000 1.008 3060 N HN 0.394 nan 8.380 nan 0.000 0.424 3061 N N 0.242 118.926 118.700 -0.028 0.000 2.444 3061 N HA 0.212 4.952 4.740 -0.000 0.000 0.262 3061 N C -2.026 173.414 175.510 -0.117 0.000 0.974 3061 N CA -2.295 50.715 53.050 -0.067 0.000 0.933 3061 N CB 1.789 40.239 38.487 -0.062 0.000 1.137 3061 N HN 0.012 nan 8.380 nan 0.000 0.498 3062 P HA -0.135 nan 4.420 nan 0.000 0.225 3062 P C 0.460 177.619 177.300 -0.234 0.000 1.148 3062 P CA 1.143 64.158 63.100 -0.142 0.000 0.779 3062 P CB 0.454 32.085 31.700 -0.114 0.000 0.780 3063 Q N 0.391 119.974 119.800 -0.361 0.000 2.124 3063 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 3063 Q C 2.171 177.642 176.000 -0.882 0.000 0.977 3063 Q CA 1.302 56.700 55.803 -0.675 0.000 0.850 3063 Q CB -0.507 27.696 28.738 -0.892 0.000 0.901 3063 Q HN 0.440 nan 8.270 nan 0.000 0.429 3064 E N 0.753 120.623 120.200 -0.551 0.000 2.085 3064 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 3064 E C 2.081 178.682 176.600 0.001 0.000 0.994 3064 E CA 0.902 57.232 56.400 -0.117 0.000 0.801 3064 E CB -0.209 29.545 29.700 0.089 0.000 0.743 3064 E HN 0.407 nan 8.360 nan 0.000 0.453 3065 A N 1.922 124.704 122.820 -0.062 0.000 1.917 3065 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 3065 A C 1.814 179.427 177.584 0.048 0.000 1.182 3065 A CA 1.956 53.999 52.037 0.009 0.000 0.633 3065 A CB -0.431 18.557 19.000 -0.020 0.000 0.819 3065 A HN 0.136 nan 8.150 nan 0.000 0.448 3066 D N -1.361 119.006 120.400 -0.055 0.000 2.117 3066 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 3066 D C 1.770 178.161 176.300 0.152 0.000 0.982 3066 D CA 0.910 54.904 54.000 -0.009 0.000 0.828 3066 D CB -0.306 40.417 40.800 -0.127 0.000 0.967 3066 D HN 0.673 nan 8.370 nan 0.000 0.464 3067 W N 1.543 122.904 121.300 0.103 0.000 2.374 3067 W HA -0.037 4.622 4.660 -0.000 0.000 0.288 3067 W C 2.555 179.189 176.519 0.192 0.000 1.218 3067 W CA 0.380 57.795 57.345 0.117 0.000 1.245 3067 W CB -1.125 28.394 29.460 0.098 0.000 1.126 3067 W HN -0.063 nan 8.180 nan 0.000 0.545 3068 S N -0.092 115.876 115.700 0.446 0.000 2.355 3068 S HA -0.232 4.238 4.470 -0.000 0.000 0.222 3068 S C 1.754 176.725 174.600 0.618 0.000 1.031 3068 S CA 1.738 60.237 58.200 0.498 0.000 0.993 3068 S CB -0.429 62.964 63.200 0.323 0.000 0.859 3068 S HN 0.278 nan 8.310 nan 0.000 0.453 3069 Q N 1.739 121.792 119.800 0.421 0.000 2.096 3069 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 3069 Q C 1.974 178.132 176.000 0.263 0.000 0.982 3069 Q CA 1.834 57.802 55.803 0.276 0.000 0.850 3069 Q CB -0.456 28.381 28.738 0.164 0.000 0.901 3069 Q HN 0.577 nan 8.270 nan 0.000 0.422 3070 Q N -0.792 119.184 119.800 0.293 0.000 2.084 3070 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 3070 Q C 2.135 178.346 176.000 0.353 0.000 0.978 3070 Q CA 1.862 57.843 55.803 0.297 0.000 0.844 3070 Q CB -0.114 28.806 28.738 0.304 0.000 0.898 3070 Q HN 0.453 nan 8.270 nan 0.000 0.426 3071 T N 0.820 115.608 114.554 0.391 0.000 2.788 3071 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 3071 T C 1.339 176.164 174.700 0.209 0.000 1.044 3071 T CA 1.145 63.459 62.100 0.357 0.000 1.139 3071 T CB -0.314 68.780 68.868 0.377 0.000 0.867 3071 T HN 0.272 nan 8.240 nan 0.000 0.454 3072 F N 1.950 121.875 119.950 -0.041 0.000 2.128 3072 F HA -0.068 4.459 4.527 -0.000 0.000 0.295 3072 F C 2.083 177.712 175.800 -0.286 0.000 1.100 3072 F CA 1.115 58.839 58.000 -0.459 0.000 1.260 3072 F CB -0.100 38.279 39.000 -1.035 0.000 1.009 3072 F HN 0.003 nan 8.300 nan 0.000 0.476 3073 D N -0.403 120.065 120.400 0.113 0.000 2.104 3073 D HA -0.265 4.375 4.640 -0.000 0.000 0.194 3073 D C 1.951 178.196 176.300 -0.092 0.000 0.994 3073 D CA 1.651 55.672 54.000 0.035 0.000 0.830 3073 D CB -0.832 40.031 40.800 0.106 0.000 0.959 3073 D HN 0.408 nan 8.370 nan 0.000 0.452 3074 Y N 1.469 121.650 120.300 -0.199 0.000 2.165 3074 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 3074 Y C 2.205 177.760 175.900 -0.575 0.000 1.155 3074 Y CA 1.323 59.180 58.100 -0.405 0.000 1.164 3074 Y CB -0.472 37.662 38.460 -0.543 0.000 0.978 3074 Y HN -0.068 nan 8.280 nan 0.000 0.513 3075 L N -1.040 119.827 121.223 -0.594 0.000 2.072 3075 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 3075 L C 2.331 178.851 176.870 -0.583 0.000 1.079 3075 L CA 0.778 55.220 54.840 -0.662 0.000 0.752 3075 L CB -0.655 41.105 42.059 -0.499 0.000 0.906 3075 L HN 0.267 nan 8.230 nan 0.000 0.436 3076 L N 0.149 121.019 121.223 -0.590 0.000 2.191 3076 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 3076 L C 2.587 179.271 176.870 -0.311 0.000 1.103 3076 L CA 1.927 56.480 54.840 -0.479 0.000 0.769 3076 L CB -0.464 41.302 42.059 -0.488 0.000 0.908 3076 L HN 0.332 nan 8.230 nan 0.000 0.438 3077 S N -3.156 112.335 115.700 -0.349 0.000 2.562 3077 S HA -0.037 4.433 4.470 -0.000 0.000 0.221 3077 S C 1.376 175.904 174.600 -0.121 0.000 0.975 3077 S CA 0.437 58.492 58.200 -0.243 0.000 0.918 3077 S CB -0.703 62.345 63.200 -0.254 0.000 0.772 3077 S HN 0.709 nan 8.310 nan 0.000 0.531 3078 H N -0.690 118.182 119.070 -0.330 0.000 2.784 3078 H HA 0.369 4.925 4.556 -0.000 0.000 0.273 3078 H C 1.557 176.744 175.328 -0.234 0.000 1.112 3078 H CA 0.016 55.879 56.048 -0.308 0.000 1.162 3078 H CB 0.878 30.356 29.762 -0.474 0.000 1.586 3078 H HN 0.294 nan 8.280 nan 0.000 0.548 3079 V N 0.554 120.424 119.914 -0.073 0.000 2.626 3079 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 3079 V C 1.230 177.369 176.094 0.074 0.000 1.067 3079 V CA 1.867 64.148 62.300 -0.032 0.000 1.081 3079 V CB -0.306 31.501 31.823 -0.027 0.000 0.686 3079 V HN 0.609 nan 8.190 nan 0.000 0.468 3080 H N -0.541 118.479 119.070 -0.084 0.000 2.505 3080 H HA 0.291 4.847 4.556 -0.000 0.000 0.286 3080 H C 1.019 176.307 175.328 -0.066 0.000 1.072 3080 H CA 0.325 56.335 56.048 -0.062 0.000 1.141 3080 H CB 0.414 30.148 29.762 -0.046 0.000 1.550 3080 H HN 0.595 nan 8.280 nan 0.000 0.547 3081 S N 1.073 116.762 115.700 -0.018 0.000 2.707 3081 S HA 0.178 4.648 4.470 -0.000 0.000 0.276 3081 S C -1.243 173.303 174.600 -0.091 0.000 1.179 3081 S CA -1.194 56.963 58.200 -0.071 0.000 0.992 3081 S CB 1.954 65.065 63.200 -0.150 0.000 1.030 3081 S HN 0.041 nan 8.310 nan 0.000 0.554 3082 P HA 0.046 nan 4.420 nan 0.000 0.229 3082 P C 0.483 177.732 177.300 -0.085 0.000 1.160 3082 P CA 0.756 63.813 63.100 -0.072 0.000 0.777 3082 P CB -0.237 31.434 31.700 -0.048 0.000 0.814 3083 N N 0.968 119.596 118.700 -0.121 0.000 2.166 3083 N HA -0.094 4.646 4.740 -0.000 0.000 0.186 3083 N C 1.971 177.353 175.510 -0.215 0.000 1.019 3083 N CA 1.451 54.399 53.050 -0.171 0.000 0.856 3083 N CB -1.055 37.276 38.487 -0.260 0.000 0.993 3083 N HN 0.063 nan 8.380 nan 0.000 0.426 3084 A N 1.118 123.823 122.820 -0.191 0.000 1.929 3084 A HA -0.328 3.992 4.320 -0.000 0.000 0.221 3084 A C 2.111 179.631 177.584 -0.107 0.000 1.211 3084 A CA 2.068 54.008 52.037 -0.163 0.000 0.657 3084 A CB -0.828 18.102 19.000 -0.117 0.000 0.827 3084 A HN 0.456 nan 8.150 nan 0.000 0.462 3085 E N -0.535 119.617 120.200 -0.080 0.000 2.038 3085 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 3085 E C 1.780 178.363 176.600 -0.028 0.000 1.000 3085 E CA 1.352 57.727 56.400 -0.042 0.000 0.803 3085 E CB -0.214 29.459 29.700 -0.045 0.000 0.750 3085 E HN 0.627 nan 8.360 nan 0.000 0.448 3086 N N 0.396 119.070 118.700 -0.042 0.000 2.205 3086 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 3086 N C 1.759 177.268 175.510 -0.002 0.000 1.015 3086 N CA 0.786 53.839 53.050 0.005 0.000 0.862 3086 N CB -0.168 38.351 38.487 0.054 0.000 0.986 3086 N HN 0.149 nan 8.380 nan 0.000 0.429 3087 L N -0.307 120.834 121.223 -0.136 0.000 2.240 3087 L HA 0.134 4.474 4.340 -0.000 0.000 0.211 3087 L C 1.337 178.230 176.870 0.038 0.000 1.106 3087 L CA 0.856 55.642 54.840 -0.091 0.000 0.793 3087 L CB -0.536 41.345 42.059 -0.297 0.000 0.927 3087 L HN 0.285 nan 8.230 nan 0.000 0.446 3088 G N 0.015 108.830 108.800 0.026 0.000 2.204 3088 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.244 3088 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.244 3088 G C -0.014 174.929 174.900 0.072 0.000 1.062 3088 G CA 0.058 45.215 45.100 0.095 0.000 0.798 3088 G HN 0.190 nan 8.290 nan 0.000 0.496 3089 L N 0.530 121.761 121.223 0.013 0.000 2.296 3089 L HA 0.886 5.226 4.340 -0.000 0.000 0.286 3089 L C 0.089 176.983 176.870 0.040 0.000 1.023 3089 L CA -1.112 53.657 54.840 -0.117 0.000 0.812 3089 L CB 0.899 42.832 42.059 -0.211 0.000 1.223 3089 L HN 0.397 nan 8.230 nan 0.000 0.421 3090 F N 2.995 122.872 119.950 -0.122 0.000 2.713 3090 F HA 0.515 5.042 4.527 -0.000 0.000 0.311 3090 F C -1.824 173.934 175.800 -0.071 0.000 1.141 3090 F CA -1.185 56.758 58.000 -0.093 0.000 0.939 3090 F CB 1.011 39.966 39.000 -0.075 0.000 1.325 3090 F HN 0.129 nan 8.300 nan 0.000 0.453 3091 L N 2.647 123.959 121.223 0.148 0.000 2.379 3091 L HA 0.695 5.035 4.340 -0.000 0.000 0.269 3091 L C -0.645 176.347 176.870 0.202 0.000 1.084 3091 L CA -1.003 53.889 54.840 0.087 0.000 0.802 3091 L CB 1.804 43.926 42.059 0.105 0.000 1.175 3091 L HN 0.805 nan 8.230 nan 0.000 0.448 3092 I N 0.714 121.383 120.570 0.164 0.000 2.753 3092 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 3092 I C -0.927 175.333 176.117 0.238 0.000 1.425 3092 I CA 0.049 61.485 61.300 0.227 0.000 1.039 3092 I CB 2.223 40.410 38.000 0.311 0.000 1.349 3092 I HN 0.532 nan 8.210 nan 0.000 0.430 3093 S N 3.731 119.472 115.700 0.067 0.000 2.681 3093 S HA 1.026 5.496 4.470 -0.000 0.000 0.299 3093 S C -0.205 173.882 174.600 -0.855 0.000 1.113 3093 S CA -0.291 57.729 58.200 -0.299 0.000 1.013 3093 S CB 1.859 64.944 63.200 -0.193 0.000 1.076 3093 S HN 1.026 nan 8.310 nan 0.000 0.534 3094 G N 0.128 107.772 108.800 -1.927 0.000 2.356 3094 G HA2 0.495 4.455 3.960 -0.000 0.000 0.294 3094 G HA3 0.495 4.455 3.960 -0.000 0.000 0.294 3094 G C -2.424 171.373 174.900 -1.837 0.000 1.423 3094 G CA -0.774 42.980 45.100 -2.242 0.000 0.806 3094 G HN 0.460 nan 8.290 nan 0.000 0.527 3095 Y N 0.331 120.135 120.300 -0.827 0.000 2.387 3095 Y HA 0.579 5.129 4.550 -0.000 0.000 0.330 3095 Y C 0.593 176.359 175.900 -0.224 0.000 1.133 3095 Y CA -1.001 56.854 58.100 -0.408 0.000 1.152 3095 Y CB 1.809 40.013 38.460 -0.427 0.000 1.215 3095 Y HN 0.271 nan 8.280 nan 0.000 0.466 3096 N N 3.372 122.069 118.700 -0.005 0.000 2.407 3096 N HA 0.470 5.210 4.740 -0.000 0.000 0.277 3096 N C -1.545 173.609 175.510 -0.593 0.000 0.995 3096 N CA -0.416 52.526 53.050 -0.180 0.000 0.903 3096 N CB 1.723 40.247 38.487 0.062 0.000 1.218 3096 N HN 0.518 nan 8.380 nan 0.000 0.487 3097 L N 2.517 123.227 121.223 -0.855 0.000 2.334 3097 L HA 0.652 4.992 4.340 -0.000 0.000 0.276 3097 L C -0.851 175.393 176.870 -1.043 0.000 1.014 3097 L CA -0.735 53.564 54.840 -0.902 0.000 0.815 3097 L CB 1.010 42.373 42.059 -1.159 0.000 1.268 3097 L HN 0.323 nan 8.230 nan 0.000 0.428 3098 F N -0.443 119.427 119.950 -0.133 0.000 2.599 3098 F HA 0.406 4.933 4.527 -0.000 0.000 0.311 3098 F C 1.064 176.996 175.800 0.219 0.000 1.076 3098 F CA -0.763 57.258 58.000 0.034 0.000 0.937 3098 F CB 1.241 40.275 39.000 0.057 0.000 1.282 3098 F HN 0.384 nan 8.300 nan 0.000 0.460 3099 H N -0.250 119.101 119.070 0.468 0.000 2.428 3099 H HA 0.135 4.691 4.556 -0.000 0.000 0.296 3099 H C 0.032 175.482 175.328 0.204 0.000 1.062 3099 H CA 1.135 57.333 56.048 0.249 0.000 1.350 3099 H CB 0.422 30.257 29.762 0.122 0.000 1.403 3099 H HN 0.456 nan 8.280 nan 0.000 0.533 3100 E N -0.746 119.641 120.200 0.311 0.000 2.456 3100 E HA 0.535 4.885 4.350 -0.000 0.000 0.276 3100 E C -0.466 176.118 176.600 -0.027 0.000 0.981 3100 E CA -1.008 55.470 56.400 0.131 0.000 0.814 3100 E CB 2.080 31.817 29.700 0.062 0.000 1.382 3100 E HN 0.096 nan 8.360 nan 0.000 0.459 3101 A N 0.853 123.497 122.820 -0.294 0.000 2.520 3101 A HA 0.373 4.693 4.320 -0.000 0.000 0.235 3101 A C -0.201 177.101 177.584 -0.470 0.000 1.065 3101 A CA 0.425 52.003 52.037 -0.765 0.000 0.764 3101 A CB 0.012 18.648 19.000 -0.607 0.000 1.002 3101 A HN 0.403 nan 8.150 nan 0.000 0.502 3102 I N 1.356 121.633 120.570 -0.488 0.000 2.918 3102 I HA 0.488 4.658 4.170 -0.000 0.000 0.301 3102 I C -2.280 173.777 176.117 -0.098 0.000 1.312 3102 I CA -1.589 59.540 61.300 -0.285 0.000 1.007 3102 I CB 2.451 40.137 38.000 -0.524 0.000 1.281 3102 I HN 0.592 nan 8.210 nan 0.000 0.440 3103 P HA 0.240 nan 4.420 nan 0.000 0.272 3103 P C -1.174 176.108 177.300 -0.029 0.000 1.230 3103 P CA -0.180 62.888 63.100 -0.053 0.000 0.788 3103 P CB 0.389 32.034 31.700 -0.091 0.000 0.949 3104 D N 1.666 121.985 120.400 -0.135 0.000 2.382 3104 D HA 0.186 4.826 4.640 -0.000 0.000 0.240 3104 D C -1.811 174.124 176.300 -0.608 0.000 1.146 3104 D CA -0.722 53.037 54.000 -0.401 0.000 0.897 3104 D CB -0.449 40.100 40.800 -0.417 0.000 1.197 3104 D HN 0.306 nan 8.370 nan 0.000 0.432 3105 P HA 0.076 nan 4.420 nan 0.000 0.277 3105 P C 0.395 177.111 177.300 -0.973 0.000 1.240 3105 P CA -0.373 62.049 63.100 -1.131 0.000 0.798 3105 P CB 0.997 31.457 31.700 -2.066 0.000 0.979 3106 S N 1.052 116.340 115.700 -0.687 0.000 2.400 3106 S HA -0.132 4.338 4.470 -0.000 0.000 0.232 3106 S C 1.462 175.855 174.600 -0.345 0.000 1.025 3106 S CA 0.652 58.605 58.200 -0.411 0.000 0.993 3106 S CB -1.170 61.907 63.200 -0.205 0.000 0.808 3106 S HN 0.723 nan 8.310 nan 0.000 0.478 3107 W N 3.316 124.479 121.300 -0.227 0.000 3.377 3107 W HA 0.283 4.943 4.660 -0.000 0.000 0.277 3107 W C 1.202 177.517 176.519 -0.340 0.000 1.311 3107 W CA 0.139 57.379 57.345 -0.177 0.000 1.703 3107 W CB -0.719 28.750 29.460 0.015 0.000 1.095 3107 W HN 0.498 nan 8.180 nan 0.000 0.715 3108 K N 0.960 120.967 120.400 -0.655 0.000 2.218 3108 K HA -0.212 4.108 4.320 -0.000 0.000 0.205 3108 K C 0.872 177.199 176.600 -0.456 0.000 1.046 3108 K CA 1.944 57.663 56.287 -0.947 0.000 0.933 3108 K CB -0.402 31.195 32.500 -1.505 0.000 0.728 3108 K HN -0.032 nan 8.250 nan 0.000 0.454 3109 D N 0.416 120.645 120.400 -0.285 0.000 2.354 3109 D HA 0.004 4.644 4.640 -0.000 0.000 0.209 3109 D C 1.325 177.532 176.300 -0.154 0.000 1.015 3109 D CA 0.691 54.590 54.000 -0.168 0.000 0.867 3109 D CB 0.355 41.072 40.800 -0.138 0.000 0.933 3109 D HN 0.250 nan 8.370 nan 0.000 0.520 3110 T N 0.977 115.418 114.554 -0.188 0.000 2.777 3110 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 3110 T C 1.397 175.651 174.700 -0.745 0.000 1.040 3110 T CA 0.585 62.452 62.100 -0.388 0.000 1.141 3110 T CB 0.029 68.699 68.868 -0.330 0.000 0.868 3110 T HN 0.076 nan 8.240 nan 0.000 0.444 3111 V N 0.434 120.050 119.914 -0.497 0.000 3.083 3111 V HA 0.426 4.546 4.120 -0.000 0.000 0.306 3111 V C 0.201 176.300 176.094 0.009 0.000 1.077 3111 V CA -1.366 60.730 62.300 -0.340 0.000 1.073 3111 V CB 0.271 32.093 31.823 -0.002 0.000 1.081 3111 V HN 0.028 nan 8.190 nan 0.000 0.474 3112 L N 3.036 124.382 121.223 0.204 0.000 2.331 3112 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 3112 L C 1.411 178.437 176.870 0.260 0.000 1.106 3112 L CA 1.411 56.379 54.840 0.215 0.000 0.824 3112 L CB -0.111 42.082 42.059 0.224 0.000 1.142 3112 L HN 1.270 nan 8.230 nan 0.000 0.443 3113 G N 3.608 112.534 108.800 0.211 0.000 2.341 3113 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.292 3113 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.292 3113 G C 0.194 175.265 174.900 0.284 0.000 1.021 3113 G CA 0.164 45.396 45.100 0.219 0.000 0.905 3113 G HN 0.561 nan 8.290 nan 0.000 0.508 3114 F N 0.986 121.025 119.950 0.149 0.000 2.607 3114 F HA 0.482 5.009 4.527 -0.000 0.000 0.374 3114 F C 0.868 176.737 175.800 0.115 0.000 1.104 3114 F CA 0.411 58.496 58.000 0.142 0.000 1.296 3114 F CB 0.521 39.514 39.000 -0.011 0.000 1.085 3114 F HN 0.593 nan 8.300 nan 0.000 0.584 3115 R N 3.438 123.608 120.500 -0.550 0.000 2.756 3115 R HA 0.472 4.811 4.340 -0.000 0.000 0.273 3115 R C -1.755 174.267 176.300 -0.463 0.000 1.030 3115 R CA -1.321 54.563 56.100 -0.359 0.000 0.887 3115 R CB 0.160 30.417 30.300 -0.072 0.000 1.274 3115 R HN 0.290 nan 8.270 nan 0.000 0.461 3116 K N 0.740 121.045 120.400 -0.157 0.000 2.098 3116 K HA 0.452 4.772 4.320 -0.000 0.000 0.258 3116 K C 0.007 176.594 176.600 -0.022 0.000 0.973 3116 K CA -0.683 55.575 56.287 -0.050 0.000 0.898 3116 K CB 1.041 33.566 32.500 0.043 0.000 1.057 3116 K HN 0.486 nan 8.250 nan 0.000 0.447 3117 L N 2.059 123.275 121.223 -0.012 0.000 2.453 3117 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 3117 L C 1.128 178.018 176.870 0.034 0.000 1.182 3117 L CA -0.085 54.778 54.840 0.039 0.000 0.858 3117 L CB 0.180 42.300 42.059 0.101 0.000 1.120 3117 L HN 0.744 nan 8.230 nan 0.000 0.474 3118 T N -0.145 114.425 114.554 0.026 0.000 2.868 3118 T HA 0.188 4.538 4.350 -0.000 0.000 0.292 3118 T C -1.484 173.244 174.700 0.047 0.000 1.028 3118 T CA -1.658 60.459 62.100 0.028 0.000 1.059 3118 T CB 1.044 69.912 68.868 -0.000 0.000 0.991 3118 T HN 0.467 nan 8.240 nan 0.000 0.531 3119 P HA -0.130 nan 4.420 nan 0.000 0.220 3119 P C 1.280 178.602 177.300 0.036 0.000 1.144 3119 P CA 0.977 64.110 63.100 0.054 0.000 0.800 3119 P CB 0.120 31.848 31.700 0.046 0.000 0.772 3120 R N 0.259 120.770 120.500 0.018 0.000 2.090 3120 R HA -0.042 4.298 4.340 -0.000 0.000 0.228 3120 R C 2.245 178.535 176.300 -0.016 0.000 1.110 3120 R CA 1.089 57.187 56.100 -0.005 0.000 0.973 3120 R CB -0.393 29.898 30.300 -0.014 0.000 0.869 3120 R HN 0.372 nan 8.270 nan 0.000 0.440 3121 E N 0.911 121.120 120.200 0.015 0.000 2.107 3121 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 3121 E C 2.014 178.659 176.600 0.075 0.000 0.982 3121 E CA 0.725 57.152 56.400 0.045 0.000 0.809 3121 E CB -0.034 29.756 29.700 0.151 0.000 0.756 3121 E HN 0.232 nan 8.360 nan 0.000 0.459 3122 L N 1.320 122.616 121.223 0.121 0.000 2.275 3122 L HA -0.159 4.181 4.340 -0.000 0.000 0.215 3122 L C 1.512 178.444 176.870 0.104 0.000 1.119 3122 L CA 0.583 55.533 54.840 0.183 0.000 0.790 3122 L CB -0.269 41.887 42.059 0.163 0.000 0.919 3122 L HN 0.063 nan 8.230 nan 0.000 0.443 3123 D N 0.030 120.435 120.400 0.007 0.000 2.219 3123 D HA -0.146 4.494 4.640 -0.000 0.000 0.205 3123 D C 2.245 178.456 176.300 -0.148 0.000 0.970 3123 D CA 1.110 55.086 54.000 -0.041 0.000 0.851 3123 D CB -0.082 40.694 40.800 -0.041 0.000 0.943 3123 D HN 0.370 nan 8.370 nan 0.000 0.488 3124 M N -0.526 118.872 119.600 -0.338 0.000 2.460 3124 M HA -0.059 4.421 4.480 -0.000 0.000 0.263 3124 M C -0.099 175.728 176.300 -0.788 0.000 1.071 3124 M CA 0.861 55.761 55.300 -0.667 0.000 1.096 3124 M CB -0.039 31.910 32.600 -1.086 0.000 1.408 3124 M HN -0.132 nan 8.290 nan 0.000 0.463 3125 F N -0.800 119.127 119.950 -0.039 0.000 2.564 3125 F HA 0.355 4.882 4.527 0.000 0.000 0.368 3125 F C -1.922 173.927 175.800 0.081 0.000 1.127 3125 F CA -2.499 55.515 58.000 0.024 0.000 1.170 3125 F CB -0.002 39.004 39.000 0.011 0.000 1.397 3125 F HN -0.182 nan 8.300 nan 0.000 0.493 3126 P HA -0.149 nan 4.420 nan 0.000 0.217 3126 P C 0.791 178.139 177.300 0.081 0.000 1.148 3126 P CA 1.419 64.574 63.100 0.093 0.000 0.828 3126 P CB 0.324 32.050 31.700 0.043 0.000 0.783 3127 D N -3.026 117.416 120.400 0.071 0.000 2.355 3127 D HA 0.010 4.650 4.640 -0.000 0.000 0.218 3127 D C 0.061 176.127 176.300 -0.390 0.000 1.004 3127 D CA 0.717 54.615 54.000 -0.170 0.000 0.880 3127 D CB -0.215 40.412 40.800 -0.287 0.000 0.911 3127 D HN 0.261 nan 8.370 nan 0.000 0.528 3128 Y N -1.789 118.609 120.300 0.162 0.000 2.536 3128 Y HA 0.567 5.117 4.550 -0.000 0.000 0.347 3128 Y C 1.365 177.364 175.900 0.166 0.000 1.000 3128 Y CA -1.002 57.187 58.100 0.149 0.000 1.051 3128 Y CB 2.379 40.836 38.460 -0.005 0.000 1.259 3128 Y HN -0.216 nan 8.280 nan 0.000 0.468 3129 G N -0.290 108.716 108.800 0.343 0.000 2.833 3129 G HA2 0.082 4.042 3.960 -0.000 0.000 0.214 3129 G HA3 0.082 4.042 3.960 -0.000 0.000 0.214 3129 G C -1.175 173.934 174.900 0.350 0.000 1.075 3129 G CA 0.315 45.584 45.100 0.283 0.000 0.799 3129 G HN 0.465 nan 8.290 nan 0.000 0.541 3130 Y N -0.254 120.175 120.300 0.215 0.000 2.571 3130 Y HA 0.608 5.158 4.550 -0.000 0.000 0.341 3130 Y C -0.047 175.979 175.900 0.210 0.000 1.076 3130 Y CA -0.394 57.825 58.100 0.200 0.000 1.029 3130 Y CB 1.956 40.525 38.460 0.181 0.000 1.308 3130 Y HN 0.339 nan 8.280 nan 0.000 0.461 3131 G N 1.589 110.027 108.800 -0.603 0.000 2.349 3131 G HA2 0.363 4.323 3.960 -0.000 0.000 0.294 3131 G HA3 0.363 4.323 3.960 -0.000 0.000 0.294 3131 G C -2.346 172.398 174.900 -0.260 0.000 1.380 3131 G CA -0.973 43.888 45.100 -0.400 0.000 0.811 3131 G HN 0.494 nan 8.290 nan 0.000 0.519 3132 W N -0.870 120.429 121.300 -0.002 0.000 2.736 3132 W HA 0.812 5.472 4.660 -0.000 0.000 0.355 3132 W C -1.103 175.414 176.519 -0.003 0.000 1.102 3132 W CA -1.772 55.520 57.345 -0.087 0.000 1.164 3132 W CB 1.441 30.908 29.460 0.012 0.000 1.422 3132 W HN 0.458 nan 8.180 nan 0.000 0.572 3133 F N 2.875 122.808 119.950 -0.028 0.000 2.561 3133 F HA 0.481 5.008 4.527 0.000 0.000 0.313 3133 F C -0.119 175.685 175.800 0.006 0.000 1.126 3133 F CA -0.306 57.602 58.000 -0.152 0.000 0.918 3133 F CB 1.162 40.004 39.000 -0.262 0.000 1.199 3133 F HN 0.420 nan 8.300 nan 0.000 0.444 3134 H N 1.248 120.082 119.070 -0.394 0.000 2.905 3134 H HA 0.455 5.011 4.556 -0.000 0.000 0.280 3134 H C -1.849 173.413 175.328 -0.110 0.000 1.445 3134 H CA -1.038 54.999 56.048 -0.017 0.000 1.165 3134 H CB 1.369 31.340 29.762 0.349 0.000 1.857 3134 H HN 0.395 nan 8.280 nan 0.000 0.567 3135 T N 1.177 115.882 114.554 0.252 0.000 2.792 3135 T HA 0.446 4.796 4.350 -0.000 0.000 0.280 3135 T C 0.004 174.983 174.700 0.464 0.000 0.990 3135 T CA -0.376 61.865 62.100 0.234 0.000 0.960 3135 T CB 1.647 70.645 68.868 0.217 0.000 0.939 3135 T HN 0.649 nan 8.240 nan 0.000 0.439 3136 S N 2.821 118.770 115.700 0.415 0.000 2.998 3136 S HA 0.864 5.334 4.470 -0.000 0.000 0.307 3136 S C -1.403 173.281 174.600 0.141 0.000 1.063 3136 S CA -0.713 57.745 58.200 0.431 0.000 0.895 3136 S CB 0.631 64.081 63.200 0.416 0.000 1.362 3136 S HN 0.562 nan 8.310 nan 0.000 0.657 3137 L N 1.159 122.389 121.223 0.012 0.000 2.388 3137 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 3137 L C -1.259 175.443 176.870 -0.280 0.000 0.998 3137 L CA -0.648 54.052 54.840 -0.232 0.000 0.817 3137 L CB 2.002 43.807 42.059 -0.422 0.000 1.338 3137 L HN 0.579 nan 8.230 nan 0.000 0.414 3138 I N 3.037 123.268 120.570 -0.565 0.000 2.406 3138 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 3138 I C -1.149 174.631 176.117 -0.562 0.000 0.999 3138 I CA -0.588 60.337 61.300 -0.625 0.000 1.124 3138 I CB 2.234 39.692 38.000 -0.904 0.000 1.289 3138 I HN 0.280 nan 8.210 nan 0.000 0.441 3139 L N 7.102 128.125 121.223 -0.333 0.000 2.384 3139 L HA 0.373 4.713 4.340 -0.000 0.000 0.261 3139 L C -0.271 176.494 176.870 -0.176 0.000 1.024 3139 L CA -0.125 54.538 54.840 -0.295 0.000 0.899 3139 L CB 0.789 42.637 42.059 -0.351 0.000 1.243 3139 L HN 0.454 nan 8.230 nan 0.000 0.449 3140 E N 3.221 123.372 120.200 -0.081 0.000 2.238 3140 E HA 0.088 4.438 4.350 -0.000 0.000 0.264 3140 E C 1.132 177.771 176.600 0.065 0.000 1.136 3140 E CA 0.471 56.881 56.400 0.018 0.000 0.929 3140 E CB 0.853 30.610 29.700 0.095 0.000 1.010 3140 E HN 0.875 nan 8.360 nan 0.000 0.440 3141 G N 4.306 113.139 108.800 0.055 0.000 2.547 3141 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.221 3141 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.221 3141 G C 1.434 176.415 174.900 0.136 0.000 1.140 3141 G CA 0.875 46.037 45.100 0.103 0.000 0.760 3141 G HN 0.438 nan 8.290 nan 0.000 0.583 3142 K N 0.340 120.803 120.400 0.105 0.000 2.009 3142 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 3142 K C 2.453 179.125 176.600 0.121 0.000 1.049 3142 K CA 1.650 57.997 56.287 0.100 0.000 0.929 3142 K CB -0.303 32.244 32.500 0.078 0.000 0.714 3142 K HN 0.479 nan 8.250 nan 0.000 0.440 3143 N N -0.867 117.913 118.700 0.133 0.000 2.171 3143 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 3143 N C 1.791 177.432 175.510 0.218 0.000 1.021 3143 N CA 0.780 53.918 53.050 0.147 0.000 0.854 3143 N CB -0.217 38.344 38.487 0.123 0.000 0.994 3143 N HN 0.154 nan 8.380 nan 0.000 0.426 3144 Y N 2.009 122.359 120.300 0.083 0.000 2.081 3144 Y HA -0.192 4.358 4.550 -0.000 0.000 0.280 3144 Y C 2.017 178.035 175.900 0.196 0.000 1.163 3144 Y CA 1.189 59.361 58.100 0.120 0.000 1.135 3144 Y CB -0.546 37.933 38.460 0.030 0.000 0.970 3144 Y HN -0.039 nan 8.280 nan 0.000 0.498 3145 L N 0.270 121.543 121.223 0.083 0.000 2.043 3145 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 3145 L C 2.528 179.429 176.870 0.051 0.000 1.075 3145 L CA 2.034 56.891 54.840 0.027 0.000 0.752 3145 L CB -1.519 40.594 42.059 0.091 0.000 0.891 3145 L HN 0.293 nan 8.230 nan 0.000 0.432 3146 Q N -1.534 118.322 119.800 0.094 0.000 2.061 3146 Q HA -0.264 4.076 4.340 -0.000 0.000 0.204 3146 Q C 2.111 178.156 176.000 0.075 0.000 0.984 3146 Q CA 1.959 57.810 55.803 0.080 0.000 0.846 3146 Q CB -0.644 28.149 28.738 0.092 0.000 0.902 3146 Q HN 0.515 nan 8.270 nan 0.000 0.421 3147 W N 0.335 121.599 121.300 -0.060 0.000 2.332 3147 W HA -0.215 4.445 4.660 -0.000 0.000 0.321 3147 W C 1.699 178.149 176.519 -0.115 0.000 1.219 3147 W CA 2.058 59.359 57.345 -0.075 0.000 1.277 3147 W CB -0.606 28.831 29.460 -0.038 0.000 1.161 3147 W HN 0.223 nan 8.180 nan 0.000 0.476 3148 L N -0.191 120.944 121.223 -0.146 0.000 1.990 3148 L HA -0.342 3.998 4.340 -0.000 0.000 0.213 3148 L C 2.435 179.169 176.870 -0.227 0.000 1.072 3148 L CA 2.198 56.864 54.840 -0.289 0.000 0.755 3148 L CB -1.673 40.272 42.059 -0.189 0.000 0.889 3148 L HN 0.000 nan 8.230 nan 0.000 0.432 3149 T N -0.206 114.294 114.554 -0.089 0.000 2.624 3149 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 3149 T C 1.631 176.150 174.700 -0.302 0.000 1.041 3149 T CA 2.083 64.128 62.100 -0.092 0.000 1.159 3149 T CB -0.420 68.428 68.868 -0.032 0.000 0.863 3149 T HN 0.632 nan 8.240 nan 0.000 0.434 3150 E N 0.721 120.745 120.200 -0.293 0.000 2.285 3150 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 3150 E C 2.295 178.665 176.600 -0.383 0.000 0.997 3150 E CA 0.561 56.773 56.400 -0.314 0.000 0.845 3150 E CB -0.136 29.429 29.700 -0.223 0.000 0.782 3150 E HN 0.205 nan 8.360 nan 0.000 0.491 3151 R N 0.322 120.504 120.500 -0.529 0.000 2.092 3151 R HA -0.009 4.331 4.340 -0.000 0.000 0.231 3151 R C 2.060 178.116 176.300 -0.407 0.000 1.119 3151 R CA 0.781 56.540 56.100 -0.569 0.000 0.970 3151 R CB -0.323 29.422 30.300 -0.924 0.000 0.864 3151 R HN 0.189 nan 8.270 nan 0.000 0.440 3152 L N -0.218 120.799 121.223 -0.343 0.000 2.044 3152 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 3152 L C 1.962 178.640 176.870 -0.321 0.000 1.075 3152 L CA 1.948 56.632 54.840 -0.259 0.000 0.747 3152 L CB -1.179 40.862 42.059 -0.031 0.000 0.903 3152 L HN 0.214 nan 8.230 nan 0.000 0.435 3153 T N 0.052 114.357 114.554 -0.416 0.000 2.720 3153 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 3153 T C 1.551 176.075 174.700 -0.294 0.000 1.037 3153 T CA 1.581 63.431 62.100 -0.416 0.000 1.144 3153 T CB -0.235 68.359 68.868 -0.458 0.000 0.864 3153 T HN 0.590 nan 8.240 nan 0.000 0.444 3154 E N 1.264 121.297 120.200 -0.277 0.000 2.338 3154 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 3154 E C 1.667 178.133 176.600 -0.225 0.000 1.007 3154 E CA 0.653 56.921 56.400 -0.221 0.000 0.849 3154 E CB -0.206 29.373 29.700 -0.201 0.000 0.774 3154 E HN 0.380 nan 8.360 nan 0.000 0.506 3155 R N 0.159 120.475 120.500 -0.306 0.000 2.391 3155 R HA 0.145 4.485 4.340 -0.000 0.000 0.249 3155 R C 0.960 177.084 176.300 -0.294 0.000 0.957 3155 R CA 0.389 56.241 56.100 -0.414 0.000 1.093 3155 R CB 0.434 30.255 30.300 -0.798 0.000 1.156 3155 R HN 0.402 nan 8.270 nan 0.000 0.526 3156 G N 0.679 109.371 108.800 -0.180 0.000 2.220 3156 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.269 3156 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.269 3156 G C 0.412 175.284 174.900 -0.047 0.000 0.977 3156 G CA 0.295 45.345 45.100 -0.084 0.000 0.634 3156 G HN 0.204 nan 8.290 nan 0.000 0.539 3157 V N 2.267 122.139 119.914 -0.071 0.000 2.509 3157 V HA 0.227 4.347 4.120 -0.000 0.000 0.297 3157 V C 0.725 176.862 176.094 0.072 0.000 1.014 3157 V CA 0.407 62.737 62.300 0.049 0.000 1.127 3157 V CB 0.942 32.821 31.823 0.095 0.000 0.925 3157 V HN 0.274 nan 8.190 nan 0.000 0.480 3158 K N 5.097 125.596 120.400 0.166 0.000 2.138 3158 K HA 0.574 4.894 4.320 -0.000 0.000 0.263 3158 K C -0.713 176.070 176.600 0.305 0.000 0.965 3158 K CA -0.295 56.046 56.287 0.091 0.000 0.868 3158 K CB 1.840 34.364 32.500 0.041 0.000 1.083 3158 K HN 0.496 nan 8.250 nan 0.000 0.443 3159 F N 1.823 121.534 119.950 -0.399 0.000 2.480 3159 F HA 0.479 5.006 4.527 -0.000 0.000 0.329 3159 F C -0.216 175.268 175.800 -0.527 0.000 1.091 3159 F CA -1.108 56.738 58.000 -0.256 0.000 0.972 3159 F CB 1.272 40.059 39.000 -0.356 0.000 1.150 3159 F HN 0.311 nan 8.300 nan 0.000 0.467 3160 F N 1.409 121.596 119.950 0.394 0.000 2.569 3160 F HA 0.238 4.765 4.527 -0.000 0.000 0.312 3160 F C -0.264 175.763 175.800 0.379 0.000 1.109 3160 F CA -0.941 57.228 58.000 0.281 0.000 0.919 3160 F CB 1.804 40.940 39.000 0.226 0.000 1.211 3160 F HN 0.272 nan 8.300 nan 0.000 0.446 3161 Q N 5.626 125.687 119.800 0.434 0.000 2.423 3161 Q HA 0.339 4.679 4.340 -0.000 0.000 0.235 3161 Q C -0.852 175.254 176.000 0.177 0.000 1.100 3161 Q CA -0.176 55.883 55.803 0.425 0.000 0.908 3161 Q CB 0.487 29.407 28.738 0.304 0.000 1.312 3161 Q HN 0.936 nan 8.270 nan 0.000 0.497 3162 R N 1.431 121.981 120.500 0.084 0.000 2.663 3162 R HA 0.452 4.792 4.340 -0.000 0.000 0.267 3162 R C -1.389 174.857 176.300 -0.090 0.000 1.038 3162 R CA -0.974 55.094 56.100 -0.055 0.000 0.886 3162 R CB 1.205 31.397 30.300 -0.179 0.000 1.249 3162 R HN 0.107 nan 8.270 nan 0.000 0.463 3163 K N 2.435 122.770 120.400 -0.107 0.000 2.264 3163 K HA 0.238 4.558 4.320 -0.000 0.000 0.277 3163 K C -0.663 175.870 176.600 -0.111 0.000 1.067 3163 K CA -0.611 55.605 56.287 -0.119 0.000 0.900 3163 K CB 1.563 33.987 32.500 -0.126 0.000 1.124 3163 K HN 0.450 nan 8.250 nan 0.000 0.469 3164 V N 4.981 124.841 119.914 -0.090 0.000 2.521 3164 V HA -0.027 4.093 4.120 -0.000 0.000 0.286 3164 V C 1.118 177.144 176.094 -0.114 0.000 1.034 3164 V CA 0.236 62.491 62.300 -0.076 0.000 1.045 3164 V CB 1.154 32.964 31.823 -0.021 0.000 0.974 3164 V HN 0.843 nan 8.190 nan 0.000 0.480 3165 E N 2.533 122.669 120.200 -0.107 0.000 2.190 3165 E HA 0.065 4.415 4.350 -0.000 0.000 0.191 3165 E C 0.714 177.223 176.600 -0.152 0.000 0.978 3165 E CA 0.761 57.092 56.400 -0.116 0.000 0.839 3165 E CB 0.450 30.098 29.700 -0.086 0.000 0.787 3165 E HN 0.835 nan 8.360 nan 0.000 0.473 3166 S N -1.416 114.191 115.700 -0.156 0.000 2.567 3166 S HA 0.303 4.773 4.470 -0.000 0.000 0.270 3166 S C 0.149 174.663 174.600 -0.142 0.000 1.152 3166 S CA -0.734 57.341 58.200 -0.209 0.000 0.835 3166 S CB -0.004 63.143 63.200 -0.088 0.000 1.115 3166 S HN -0.123 nan 8.310 nan 0.000 0.459 3167 F N 1.544 121.514 119.950 0.035 0.000 2.269 3167 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 3167 F C 2.492 178.308 175.800 0.028 0.000 1.082 3167 F CA 1.112 59.133 58.000 0.035 0.000 1.360 3167 F CB -0.632 38.392 39.000 0.040 0.000 1.041 3167 F HN 0.609 nan 8.300 nan 0.000 0.512 3168 E N 0.421 120.725 120.200 0.172 0.000 2.051 3168 E HA -0.251 4.099 4.350 -0.000 0.000 0.192 3168 E C 2.128 178.772 176.600 0.073 0.000 0.991 3168 E CA 1.240 57.702 56.400 0.103 0.000 0.799 3168 E CB -0.743 28.996 29.700 0.065 0.000 0.748 3168 E HN 0.553 nan 8.360 nan 0.000 0.449 3169 E N 1.002 121.232 120.200 0.050 0.000 2.160 3169 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 3169 E C 2.058 178.694 176.600 0.060 0.000 0.991 3169 E CA 1.132 57.552 56.400 0.033 0.000 0.810 3169 E CB 0.248 29.950 29.700 0.003 0.000 0.742 3169 E HN 0.035 nan 8.360 nan 0.000 0.466 3170 V N 0.891 120.867 119.914 0.103 0.000 2.346 3170 V HA -0.133 3.987 4.120 -0.000 0.000 0.244 3170 V C 2.477 178.633 176.094 0.103 0.000 1.037 3170 V CA 1.494 63.877 62.300 0.139 0.000 1.029 3170 V CB -0.662 31.279 31.823 0.197 0.000 0.663 3170 V HN 0.400 nan 8.190 nan 0.000 0.454 3171 A N 0.229 123.107 122.820 0.095 0.000 1.883 3171 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 3171 A C 2.273 179.884 177.584 0.046 0.000 1.186 3171 A CA 2.018 54.093 52.037 0.062 0.000 0.624 3171 A CB -0.547 18.489 19.000 0.060 0.000 0.822 3171 A HN 0.403 nan 8.150 nan 0.000 0.444 3172 R N 0.497 121.024 120.500 0.045 0.000 2.127 3172 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 3172 R C 1.903 178.219 176.300 0.026 0.000 1.134 3172 R CA 1.617 57.735 56.100 0.030 0.000 0.975 3172 R CB -0.626 29.689 30.300 0.025 0.000 0.865 3172 R HN 0.912 nan 8.270 nan 0.000 0.447 3173 E N -0.968 119.253 120.200 0.035 0.000 2.502 3173 E HA 0.074 4.423 4.350 -0.000 0.000 0.194 3173 E C 0.305 176.924 176.600 0.032 0.000 1.062 3173 E CA 0.580 56.998 56.400 0.030 0.000 0.867 3173 E CB 0.133 29.854 29.700 0.035 0.000 0.888 3173 E HN 0.261 nan 8.360 nan 0.000 0.510 3174 G N 0.356 109.174 108.800 0.031 0.000 2.173 3174 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.174 3174 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.174 3174 G C 0.069 174.982 174.900 0.023 0.000 1.025 3174 G CA -0.258 44.856 45.100 0.023 0.000 0.706 3174 G HN 0.596 nan 8.290 nan 0.000 0.499 3175 A N -0.081 122.755 122.820 0.027 0.000 2.328 3175 A HA 0.666 4.986 4.320 -0.000 0.000 0.284 3175 A C 1.018 178.608 177.584 0.010 0.000 1.160 3175 A CA 0.397 52.445 52.037 0.019 0.000 0.818 3175 A CB 0.564 19.576 19.000 0.021 0.000 1.087 3175 A HN 0.131 nan 8.150 nan 0.000 0.504 3176 D N 1.011 121.415 120.400 0.007 0.000 2.197 3176 D HA 0.094 4.734 4.640 -0.000 0.000 0.212 3176 D C 0.359 176.650 176.300 -0.015 0.000 0.963 3176 D CA 1.294 55.290 54.000 -0.008 0.000 0.864 3176 D CB -0.001 40.793 40.800 -0.011 0.000 1.009 3176 D HN 0.272 nan 8.370 nan 0.000 0.479 3177 V N 1.176 121.097 119.914 0.011 0.000 2.680 3177 V HA 0.423 4.543 4.120 -0.000 0.000 0.309 3177 V C -0.223 175.872 176.094 0.002 0.000 1.052 3177 V CA -0.786 61.522 62.300 0.014 0.000 0.908 3177 V CB 2.761 34.645 31.823 0.101 0.000 1.001 3177 V HN -0.072 nan 8.190 nan 0.000 0.431 3178 I N 3.445 123.989 120.570 -0.043 0.000 2.418 3178 I HA 0.450 4.620 4.170 -0.000 0.000 0.287 3178 I C -0.827 175.242 176.117 -0.081 0.000 1.008 3178 I CA -0.817 60.450 61.300 -0.056 0.000 1.104 3178 I CB 2.149 40.108 38.000 -0.068 0.000 1.264 3178 I HN 0.296 nan 8.210 nan 0.000 0.438 3179 V N 4.801 124.693 119.914 -0.037 0.000 2.311 3179 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 3179 V C 0.009 176.119 176.094 0.026 0.000 1.022 3179 V CA -0.703 61.581 62.300 -0.027 0.000 0.830 3179 V CB 1.042 32.850 31.823 -0.024 0.000 1.012 3179 V HN 0.662 nan 8.190 nan 0.000 0.452 3180 N N 3.947 122.672 118.700 0.041 0.000 2.439 3180 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 3180 N C -0.284 175.381 175.510 0.258 0.000 1.088 3180 N CA -0.227 52.943 53.050 0.199 0.000 0.940 3180 N CB 0.544 39.212 38.487 0.302 0.000 1.180 3180 N HN 0.695 nan 8.380 nan 0.000 0.505 3181 C N 2.514 121.931 119.300 0.196 0.000 2.814 3181 C HA 0.226 4.686 4.460 -0.000 0.000 0.242 3181 C C 1.419 176.511 174.990 0.170 0.000 1.704 3181 C CA -0.575 58.556 59.018 0.189 0.000 1.608 3181 C CB -1.357 26.442 27.740 0.099 0.000 2.939 3181 C HN 0.798 nan 8.230 nan 0.000 0.512 3182 T N -1.908 112.755 114.554 0.182 0.000 3.144 3182 T HA 0.414 4.764 4.350 -0.000 0.000 0.249 3182 T C 1.414 176.268 174.700 0.256 0.000 1.089 3182 T CA 0.720 62.922 62.100 0.170 0.000 0.989 3182 T CB 0.175 69.111 68.868 0.114 0.000 0.992 3182 T HN 0.950 nan 8.240 nan 0.000 0.540 3183 G N 1.545 110.488 108.800 0.238 0.000 2.614 3183 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.303 3183 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.303 3183 G C 0.945 175.911 174.900 0.111 0.000 1.270 3183 G CA 0.292 45.525 45.100 0.222 0.000 0.988 3183 G HN 0.617 nan 8.290 nan 0.000 0.551 3184 V N 0.558 120.430 119.914 -0.070 0.000 2.594 3184 V HA -0.037 4.083 4.120 -0.000 0.000 0.253 3184 V C 2.090 178.097 176.094 -0.144 0.000 1.069 3184 V CA 2.605 64.749 62.300 -0.260 0.000 1.082 3184 V CB -0.416 31.018 31.823 -0.647 0.000 0.680 3184 V HN 0.584 nan 8.190 nan 0.000 0.469 3185 W N -0.671 120.710 121.300 0.136 0.000 3.377 3185 W HA 0.306 4.965 4.660 -0.000 0.000 0.277 3185 W C 2.019 178.506 176.519 -0.053 0.000 1.311 3185 W CA 0.319 57.715 57.345 0.085 0.000 1.703 3185 W CB -0.648 28.840 29.460 0.047 0.000 1.095 3185 W HN 0.435 nan 8.180 nan 0.000 0.715 3186 A N 0.372 123.193 122.820 0.002 0.000 2.216 3186 A HA 0.068 4.388 4.320 -0.000 0.000 0.214 3186 A C 2.284 179.762 177.584 -0.177 0.000 1.160 3186 A CA 1.567 53.461 52.037 -0.238 0.000 0.725 3186 A CB -0.767 17.688 19.000 -0.908 0.000 0.784 3186 A HN 0.240 nan 8.150 nan 0.000 0.472 3187 G N -0.686 108.079 108.800 -0.058 0.000 2.430 3187 G HA2 0.141 4.101 3.960 -0.000 0.000 0.216 3187 G HA3 0.141 4.101 3.960 -0.000 0.000 0.216 3187 G C 1.561 176.441 174.900 -0.034 0.000 1.146 3187 G CA 0.842 45.929 45.100 -0.022 0.000 0.793 3187 G HN 0.674 nan 8.290 nan 0.000 0.537 3188 A N 0.244 123.040 122.820 -0.040 0.000 2.125 3188 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 3188 A C 2.246 179.759 177.584 -0.119 0.000 1.156 3188 A CA 0.834 52.827 52.037 -0.072 0.000 0.671 3188 A CB -0.196 18.765 19.000 -0.065 0.000 0.794 3188 A HN 0.378 nan 8.150 nan 0.000 0.459 3189 L N -2.291 118.838 121.223 -0.157 0.000 2.357 3189 L HA 0.170 4.510 4.340 -0.000 0.000 0.211 3189 L C 1.133 177.910 176.870 -0.155 0.000 1.075 3189 L CA 0.393 55.044 54.840 -0.315 0.000 0.830 3189 L CB 0.221 41.913 42.059 -0.612 0.000 0.996 3189 L HN 0.473 nan 8.230 nan 0.000 0.467 3190 Q N 0.406 120.207 119.800 0.002 0.000 2.296 3190 Q HA 0.228 4.568 4.340 -0.000 0.000 0.254 3190 Q C -0.845 175.189 176.000 0.058 0.000 0.936 3190 Q CA -0.641 55.222 55.803 0.101 0.000 0.834 3190 Q CB 1.769 30.668 28.738 0.268 0.000 1.340 3190 Q HN 0.059 nan 8.270 nan 0.000 0.428 3191 R N 1.954 122.481 120.500 0.045 0.000 2.587 3191 R HA -0.055 4.285 4.340 -0.000 0.000 0.268 3191 R C -0.728 175.607 176.300 0.059 0.000 0.978 3191 R CA 1.175 57.299 56.100 0.039 0.000 1.097 3191 R CB 0.323 30.644 30.300 0.035 0.000 0.917 3191 R HN 0.599 nan 8.270 nan 0.000 0.414 3192 D N 3.482 123.920 120.400 0.064 0.000 2.318 3192 D HA 0.141 4.781 4.640 -0.000 0.000 0.233 3192 D C -2.029 174.322 176.300 0.084 0.000 1.348 3192 D CA -1.254 52.799 54.000 0.089 0.000 0.983 3192 D CB 1.277 42.162 40.800 0.141 0.000 1.416 3192 D HN 0.203 nan 8.370 nan 0.000 0.558 3193 P HA 0.078 nan 4.420 nan 0.000 0.242 3193 P C 1.280 178.623 177.300 0.072 0.000 1.197 3193 P CA 0.187 63.327 63.100 0.066 0.000 0.765 3193 P CB 0.493 32.225 31.700 0.052 0.000 0.936 3194 L N -1.548 119.724 121.223 0.081 0.000 2.477 3194 L HA 0.155 4.495 4.340 -0.000 0.000 0.220 3194 L C 1.065 177.994 176.870 0.099 0.000 1.106 3194 L CA -0.172 54.717 54.840 0.082 0.000 0.851 3194 L CB -0.152 41.950 42.059 0.072 0.000 0.994 3194 L HN -0.010 nan 8.230 nan 0.000 0.462 3195 L N 1.653 122.948 121.223 0.120 0.000 2.275 3195 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 3195 L C -0.416 176.502 176.870 0.082 0.000 1.046 3195 L CA 0.221 55.138 54.840 0.129 0.000 0.805 3195 L CB 0.922 43.107 42.059 0.209 0.000 1.193 3195 L HN 0.186 nan 8.230 nan 0.000 0.426 3196 Q N 3.887 123.700 119.800 0.022 0.000 2.435 3196 Q HA 0.602 4.942 4.340 -0.000 0.000 0.282 3196 Q C -2.931 172.921 176.000 -0.247 0.000 1.020 3196 Q CA -2.222 53.543 55.803 -0.065 0.000 0.820 3196 Q CB 1.422 30.153 28.738 -0.011 0.000 1.436 3196 Q HN 0.333 nan 8.270 nan 0.000 0.395 3197 P HA 0.123 nan 4.420 nan 0.000 0.267 3197 P C -0.191 176.849 177.300 -0.433 0.000 1.205 3197 P CA 0.202 62.857 63.100 -0.741 0.000 0.765 3197 P CB 0.515 31.388 31.700 -1.379 0.000 0.828 3198 G N 3.283 111.833 108.800 -0.415 0.000 4.190 3198 G HA2 0.197 4.157 3.960 -0.000 0.000 0.328 3198 G HA3 0.197 4.157 3.960 -0.000 0.000 0.328 3198 G C 0.035 174.583 174.900 -0.587 0.000 1.364 3198 G CA -0.519 44.163 45.100 -0.697 0.000 1.259 3198 G HN 0.394 nan 8.290 nan 0.000 0.525 3199 R N 0.972 121.288 120.500 -0.306 0.000 2.583 3199 R HA 0.326 4.665 4.340 -0.000 0.000 0.274 3199 R C 0.391 176.578 176.300 -0.189 0.000 0.998 3199 R CA 0.779 56.809 56.100 -0.117 0.000 1.081 3199 R CB 0.339 30.659 30.300 0.034 0.000 0.940 3199 R HN 0.400 nan 8.270 nan 0.000 0.413 3200 G N 2.093 110.790 108.800 -0.172 0.000 2.642 3200 G HA2 0.376 4.336 3.960 -0.000 0.000 0.293 3200 G HA3 0.376 4.336 3.960 -0.000 0.000 0.293 3200 G C -1.787 173.057 174.900 -0.092 0.000 1.341 3200 G CA -0.530 44.516 45.100 -0.091 0.000 0.916 3200 G HN 0.575 nan 8.290 nan 0.000 0.474 3201 Q N -0.495 119.281 119.800 -0.039 0.000 2.315 3201 Q HA 0.637 4.977 4.340 -0.000 0.000 0.273 3201 Q C -1.192 174.785 176.000 -0.039 0.000 1.053 3201 Q CA -0.812 54.967 55.803 -0.040 0.000 0.817 3201 Q CB 2.392 31.120 28.738 -0.016 0.000 1.326 3201 Q HN 0.759 nan 8.270 nan 0.000 0.423 3202 I N -0.597 119.952 120.570 -0.035 0.000 2.934 3202 I HA 0.660 4.830 4.170 -0.000 0.000 0.306 3202 I C -1.352 174.750 176.117 -0.025 0.000 1.110 3202 I CA -1.217 60.056 61.300 -0.046 0.000 1.019 3202 I CB 2.536 40.528 38.000 -0.013 0.000 1.227 3202 I HN 0.669 nan 8.210 nan 0.000 0.434 3203 M N 3.540 123.120 119.600 -0.034 0.000 2.190 3203 M HA 0.485 4.965 4.480 -0.000 0.000 0.312 3203 M C -1.329 174.979 176.300 0.014 0.000 0.990 3203 M CA -0.615 54.683 55.300 -0.004 0.000 0.927 3203 M CB 1.304 33.894 32.600 -0.017 0.000 1.571 3203 M HN 0.489 nan 8.290 nan 0.000 0.427 3204 K N 3.647 124.063 120.400 0.025 0.000 2.227 3204 K HA 0.563 4.883 4.320 -0.000 0.000 0.280 3204 K C -1.189 175.434 176.600 0.037 0.000 1.041 3204 K CA -0.329 55.974 56.287 0.026 0.000 0.905 3204 K CB 1.769 34.283 32.500 0.024 0.000 1.068 3204 K HN 0.564 nan 8.250 nan 0.000 0.470 3205 V N 1.454 121.387 119.914 0.031 0.000 3.040 3205 V HA 0.220 4.340 4.120 -0.000 0.000 0.312 3205 V C -0.834 175.254 176.094 -0.009 0.000 1.115 3205 V CA -0.850 61.478 62.300 0.046 0.000 0.998 3205 V CB 2.399 34.283 31.823 0.101 0.000 1.042 3205 V HN 0.693 nan 8.190 nan 0.000 0.433 3206 D N 3.264 123.663 120.400 -0.000 0.000 2.467 3206 D HA 0.567 5.207 4.640 -0.000 0.000 0.220 3206 D C -0.368 175.842 176.300 -0.150 0.000 1.103 3206 D CA 0.048 54.025 54.000 -0.038 0.000 0.886 3206 D CB 1.395 42.211 40.800 0.028 0.000 1.025 3206 D HN 0.653 nan 8.370 nan 0.000 0.514 3207 A N 4.920 127.517 122.820 -0.372 0.000 3.410 3207 A HA 0.301 4.621 4.320 -0.000 0.000 0.276 3207 A C -1.926 175.094 177.584 -0.940 0.000 0.995 3207 A CA -0.736 50.678 52.037 -1.039 0.000 0.934 3207 A CB 0.847 19.251 19.000 -0.993 0.000 1.191 3207 A HN 0.307 nan 8.150 nan 0.000 0.511 3208 P HA -0.113 nan 4.420 nan 0.000 0.234 3208 P C 0.833 178.110 177.300 -0.038 0.000 1.167 3208 P CA 0.633 63.644 63.100 -0.149 0.000 0.763 3208 P CB -0.366 31.339 31.700 0.008 0.000 0.835 3209 W N -1.504 119.803 121.300 0.012 0.000 3.180 3209 W HA 0.273 4.933 4.660 0.000 0.000 0.254 3209 W C 0.404 176.937 176.519 0.024 0.000 1.318 3209 W CA -0.368 56.985 57.345 0.013 0.000 1.608 3209 W CB -0.966 28.504 29.460 0.018 0.000 1.124 3209 W HN -0.311 nan 8.180 nan 0.000 0.694 3210 M N 2.883 122.292 119.600 -0.319 0.000 2.193 3210 M HA 0.137 4.617 4.480 -0.000 0.000 0.342 3210 M C 0.581 176.843 176.300 -0.062 0.000 1.413 3210 M CA 0.306 55.513 55.300 -0.155 0.000 1.191 3210 M CB 0.872 33.329 32.600 -0.239 0.000 1.633 3210 M HN 0.013 nan 8.290 nan 0.000 0.458 3211 K N 1.493 121.870 120.400 -0.038 0.000 2.361 3211 K HA 0.169 4.489 4.320 -0.000 0.000 0.194 3211 K C 0.071 176.529 176.600 -0.236 0.000 1.032 3211 K CA 0.493 56.683 56.287 -0.161 0.000 1.048 3211 K CB 0.223 32.571 32.500 -0.253 0.000 0.842 3211 K HN 0.640 nan 8.250 nan 0.000 0.526 3212 H N -0.207 118.919 119.070 0.094 0.000 2.529 3212 H HA 0.302 4.858 4.556 -0.000 0.000 0.348 3212 H C -0.403 174.962 175.328 0.061 0.000 1.152 3212 H CA -1.125 54.941 56.048 0.031 0.000 1.202 3212 H CB 1.097 30.936 29.762 0.128 0.000 1.562 3212 H HN -0.079 nan 8.280 nan 0.000 0.515 3213 F N 0.762 120.804 119.950 0.153 0.000 2.371 3213 F HA 0.610 5.137 4.527 0.000 0.000 0.329 3213 F C -0.772 175.091 175.800 0.105 0.000 1.107 3213 F CA -0.980 57.071 58.000 0.086 0.000 1.137 3213 F CB 0.397 39.405 39.000 0.013 0.000 1.214 3213 F HN 0.256 nan 8.300 nan 0.000 0.536 3214 I N 4.212 124.944 120.570 0.270 0.000 2.529 3214 I HA 0.300 4.470 4.170 -0.000 0.000 0.284 3214 I C -1.285 174.871 176.117 0.064 0.000 1.088 3214 I CA -0.524 60.826 61.300 0.084 0.000 1.062 3214 I CB 1.805 39.780 38.000 -0.042 0.000 1.218 3214 I HN 0.555 nan 8.210 nan 0.000 0.442 3215 L N 5.409 126.631 121.223 -0.002 0.000 2.313 3215 L HA 0.608 4.948 4.340 -0.000 0.000 0.283 3215 L C 0.412 176.985 176.870 -0.495 0.000 1.013 3215 L CA -0.666 54.090 54.840 -0.141 0.000 0.816 3215 L CB 1.882 43.898 42.059 -0.072 0.000 1.236 3215 L HN 0.588 nan 8.230 nan 0.000 0.419 3216 T N -1.867 112.370 114.554 -0.529 0.000 2.922 3216 T HA 0.501 4.851 4.350 -0.000 0.000 0.285 3216 T C -0.282 173.955 174.700 -0.772 0.000 1.005 3216 T CA -0.607 61.062 62.100 -0.719 0.000 1.061 3216 T CB 1.301 69.877 68.868 -0.487 0.000 1.007 3216 T HN 0.470 nan 8.240 nan 0.000 0.502 3217 H N 0.687 119.493 119.070 -0.439 0.000 2.768 3217 H HA 0.632 5.188 4.556 -0.000 0.000 0.371 3217 H C -1.355 173.937 175.328 -0.060 0.000 1.151 3217 H CA -0.603 55.303 56.048 -0.237 0.000 1.165 3217 H CB 2.325 31.914 29.762 -0.289 0.000 1.722 3217 H HN 0.861 nan 8.280 nan 0.000 0.543 3218 D N 2.138 122.630 120.400 0.154 0.000 2.688 3218 D HA 0.139 4.779 4.640 -0.000 0.000 0.210 3218 D C -2.034 174.342 176.300 0.127 0.000 1.333 3218 D CA -1.247 52.865 54.000 0.187 0.000 0.920 3218 D CB 1.929 42.862 40.800 0.221 0.000 1.554 3218 D HN 0.103 nan 8.370 nan 0.000 0.579 3219 P HA -0.105 nan 4.420 nan 0.000 0.220 3219 P C 0.668 177.990 177.300 0.037 0.000 1.148 3219 P CA 0.665 63.795 63.100 0.050 0.000 0.803 3219 P CB 0.380 32.108 31.700 0.046 0.000 0.782 3220 E N -0.480 119.758 120.200 0.064 0.000 2.510 3220 E HA -0.133 4.217 4.350 -0.000 0.000 0.202 3220 E C 1.634 178.257 176.600 0.038 0.000 1.072 3220 E CA 0.578 57.006 56.400 0.047 0.000 0.883 3220 E CB -0.111 29.621 29.700 0.053 0.000 0.818 3220 E HN 0.375 nan 8.360 nan 0.000 0.548 3221 R N -1.602 118.916 120.500 0.031 0.000 2.467 3221 R HA 0.143 4.483 4.340 -0.000 0.000 0.253 3221 R C 0.022 176.315 176.300 -0.012 0.000 0.910 3221 R CA 0.665 56.780 56.100 0.026 0.000 1.167 3221 R CB 0.732 31.063 30.300 0.053 0.000 1.748 3221 R HN 0.143 nan 8.270 nan 0.000 0.465 3222 G N 1.579 110.347 108.800 -0.052 0.000 2.663 3222 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.686 3222 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.686 3222 G C -0.850 173.922 174.900 -0.212 0.000 1.246 3222 G CA -0.358 44.645 45.100 -0.162 0.000 0.795 3222 G HN 0.151 nan 8.290 nan 0.000 0.627 3223 I N 1.181 121.515 120.570 -0.392 0.000 2.775 3223 I HA 0.377 4.547 4.170 -0.000 0.000 0.290 3223 I C 1.171 177.084 176.117 -0.340 0.000 1.203 3223 I CA 0.316 61.317 61.300 -0.499 0.000 1.433 3223 I CB -0.577 36.953 38.000 -0.784 0.000 1.354 3223 I HN 1.187 nan 8.210 nan 0.000 0.579 3224 Y N 4.444 124.747 120.300 0.004 0.000 3.721 3224 Y HA -0.272 4.278 4.550 -0.000 0.000 0.218 3224 Y C 1.178 177.208 175.900 0.218 0.000 1.188 3224 Y CA 0.873 59.070 58.100 0.161 0.000 1.607 3224 Y CB -2.427 36.188 38.460 0.258 0.000 1.496 3224 Y HN 0.703 nan 8.280 nan 0.000 0.626 3225 N N -1.131 117.692 118.700 0.204 0.000 2.205 3225 N HA 0.112 4.852 4.740 -0.000 0.000 0.201 3225 N C 0.342 175.929 175.510 0.128 0.000 1.128 3225 N CA 0.520 53.675 53.050 0.175 0.000 0.867 3225 N CB 0.615 39.169 38.487 0.113 0.000 0.996 3225 N HN 0.208 nan 8.380 nan 0.000 0.503 3226 S N 1.347 117.118 115.700 0.118 0.000 2.617 3226 S HA 0.448 4.918 4.470 -0.000 0.000 0.283 3226 S C -2.469 172.175 174.600 0.073 0.000 1.189 3226 S CA -1.395 56.848 58.200 0.071 0.000 1.036 3226 S CB 1.195 64.397 63.200 0.003 0.000 1.014 3226 S HN 0.016 nan 8.310 nan 0.000 0.522 3227 P HA 0.090 nan 4.420 nan 0.000 0.265 3227 P C -1.352 175.953 177.300 0.007 0.000 1.187 3227 P CA 0.379 63.449 63.100 -0.050 0.000 0.766 3227 P CB -0.126 31.547 31.700 -0.045 0.000 0.820 3228 Y N 0.173 120.441 120.300 -0.055 0.000 2.544 3228 Y HA 0.770 5.320 4.550 -0.000 0.000 0.342 3228 Y C -1.221 174.657 175.900 -0.037 0.000 1.062 3228 Y CA -1.602 56.463 58.100 -0.059 0.000 1.023 3228 Y CB 1.055 39.489 38.460 -0.043 0.000 1.308 3228 Y HN 0.127 nan 8.280 nan 0.000 0.457 3229 I N 4.392 125.082 120.570 0.200 0.000 2.447 3229 I HA 0.489 4.659 4.170 -0.000 0.000 0.287 3229 I C -1.137 175.101 176.117 0.201 0.000 1.023 3229 I CA -0.671 60.704 61.300 0.125 0.000 1.083 3229 I CB 1.954 39.984 38.000 0.049 0.000 1.245 3229 I HN 0.598 nan 8.210 nan 0.000 0.434 3230 I N 7.831 128.508 120.570 0.179 0.000 2.476 3230 I HA 0.335 4.505 4.170 -0.000 0.000 0.281 3230 I C -2.534 173.662 176.117 0.132 0.000 1.040 3230 I CA -1.882 59.523 61.300 0.175 0.000 1.094 3230 I CB 1.820 39.894 38.000 0.122 0.000 1.219 3230 I HN 0.211 nan 8.210 nan 0.000 0.450 3231 P HA 0.148 nan 4.420 nan 0.000 0.271 3231 P C 0.198 177.600 177.300 0.170 0.000 1.220 3231 P CA 0.082 63.238 63.100 0.093 0.000 0.768 3231 P CB 0.931 32.675 31.700 0.073 0.000 0.848 3232 G N 0.950 109.819 108.800 0.114 0.000 2.795 3232 G HA2 0.271 4.231 3.960 -0.000 0.000 0.267 3232 G HA3 0.271 4.231 3.960 -0.000 0.000 0.267 3232 G C 0.905 175.802 174.900 -0.004 0.000 1.362 3232 G CA -0.182 45.032 45.100 0.190 0.000 1.048 3232 G HN 0.355 nan 8.290 nan 0.000 0.547 3233 T N -1.326 113.207 114.554 -0.035 0.000 2.812 3233 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 3233 T C 1.874 176.492 174.700 -0.137 0.000 1.042 3233 T CA 1.654 63.616 62.100 -0.229 0.000 1.140 3233 T CB -0.090 68.695 68.868 -0.138 0.000 0.870 3233 T HN 0.280 nan 8.240 nan 0.000 0.445 3234 Q N -0.405 119.360 119.800 -0.059 0.000 2.280 3234 Q HA 0.333 4.673 4.340 -0.000 0.000 0.244 3234 Q C 0.653 176.631 176.000 -0.037 0.000 0.847 3234 Q CA 0.304 56.081 55.803 -0.044 0.000 0.945 3234 Q CB 1.264 29.991 28.738 -0.019 0.000 1.115 3234 Q HN 0.404 nan 8.270 nan 0.000 0.513 3235 T N -0.638 113.899 114.554 -0.028 0.000 2.816 3235 T HA 0.554 4.904 4.350 -0.000 0.000 0.299 3235 T C -1.513 173.171 174.700 -0.027 0.000 1.230 3235 T CA -0.472 61.612 62.100 -0.028 0.000 1.007 3235 T CB 1.725 70.590 68.868 -0.005 0.000 1.289 3235 T HN -0.225 nan 8.240 nan 0.000 0.508 3236 V N 2.768 122.655 119.914 -0.045 0.000 2.435 3236 V HA 0.495 4.615 4.120 -0.000 0.000 0.290 3236 V C 0.439 176.532 176.094 -0.001 0.000 1.030 3236 V CA -0.566 61.714 62.300 -0.034 0.000 0.881 3236 V CB 1.737 33.498 31.823 -0.104 0.000 0.983 3236 V HN 1.030 nan 8.190 nan 0.000 0.445 3237 T N 6.384 120.959 114.554 0.034 0.000 2.856 3237 T HA 0.596 4.946 4.350 -0.000 0.000 0.292 3237 T C -0.525 174.186 174.700 0.018 0.000 0.980 3237 T CA -0.140 61.986 62.100 0.043 0.000 1.091 3237 T CB 0.682 69.604 68.868 0.090 0.000 0.936 3237 T HN 0.237 nan 8.240 nan 0.000 0.503 3238 L N 3.221 124.414 121.223 -0.049 0.000 2.349 3238 L HA 0.748 5.088 4.340 -0.000 0.000 0.278 3238 L C 0.565 177.237 176.870 -0.330 0.000 0.996 3238 L CA 0.024 54.769 54.840 -0.159 0.000 0.825 3238 L CB 1.601 43.602 42.059 -0.096 0.000 1.243 3238 L HN 0.859 nan 8.230 nan 0.000 0.412 3239 G N 0.463 108.780 108.800 -0.805 0.000 2.921 3239 G HA2 0.656 4.616 3.960 -0.000 0.000 0.291 3239 G HA3 0.656 4.616 3.960 -0.000 0.000 0.291 3239 G C -0.300 173.959 174.900 -1.068 0.000 1.370 3239 G CA -0.296 44.162 45.100 -1.070 0.000 0.847 3239 G HN 0.804 nan 8.290 nan 0.000 0.532 3240 G N -1.052 107.420 108.800 -0.547 0.000 2.767 3240 G HA2 0.187 4.147 3.960 -0.000 0.000 0.228 3240 G HA3 0.187 4.147 3.960 -0.000 0.000 0.228 3240 G C -0.646 174.311 174.900 0.095 0.000 1.271 3240 G CA -0.344 44.715 45.100 -0.070 0.000 1.029 3240 G HN 0.642 nan 8.290 nan 0.000 0.543 3241 I N 0.473 121.138 120.570 0.158 0.000 2.534 3241 I HA 0.656 4.826 4.170 -0.000 0.000 0.288 3241 I C -1.359 174.913 176.117 0.260 0.000 1.077 3241 I CA -1.110 60.290 61.300 0.168 0.000 1.051 3241 I CB 2.120 40.165 38.000 0.075 0.000 1.234 3241 I HN 0.081 nan 8.210 nan 0.000 0.425 3242 F N 6.031 126.043 119.950 0.104 0.000 2.941 3242 F HA 0.442 4.969 4.527 -0.000 0.000 0.359 3242 F C -1.148 174.691 175.800 0.065 0.000 1.231 3242 F CA -0.230 57.830 58.000 0.101 0.000 1.089 3242 F CB 1.309 40.388 39.000 0.132 0.000 1.407 3242 F HN 0.353 nan 8.300 nan 0.000 0.538 3243 Q N 6.618 126.466 119.800 0.080 0.000 2.363 3243 Q HA 0.459 4.799 4.340 -0.000 0.000 0.265 3243 Q C -0.887 175.109 176.000 -0.006 0.000 1.032 3243 Q CA -0.690 55.178 55.803 0.108 0.000 0.746 3243 Q CB 2.504 31.281 28.738 0.066 0.000 1.237 3243 Q HN 0.625 nan 8.270 nan 0.000 0.475 3244 L N 1.603 122.896 121.223 0.117 0.000 2.499 3244 L HA 0.136 4.476 4.340 -0.000 0.000 0.273 3244 L C 1.295 178.153 176.870 -0.019 0.000 1.195 3244 L CA 1.098 55.965 54.840 0.045 0.000 0.882 3244 L CB 0.264 42.416 42.059 0.155 0.000 1.133 3244 L HN 1.076 nan 8.230 nan 0.000 0.483 3245 G N 2.308 111.036 108.800 -0.121 0.000 2.258 3245 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.233 3245 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.233 3245 G C 0.394 175.217 174.900 -0.128 0.000 1.006 3245 G CA -0.004 45.039 45.100 -0.095 0.000 0.620 3245 G HN 0.632 nan 8.290 nan 0.000 0.511 3246 N N 0.401 119.028 118.700 -0.122 0.000 2.431 3246 N HA 0.279 5.019 4.740 -0.000 0.000 0.265 3246 N C 0.296 175.722 175.510 -0.139 0.000 1.184 3246 N CA -0.404 52.625 53.050 -0.036 0.000 0.943 3246 N CB 0.094 38.603 38.487 0.037 0.000 1.080 3246 N HN 0.408 nan 8.380 nan 0.000 0.477 3247 W N 1.907 123.167 121.300 -0.067 0.000 3.239 3247 W HA 0.225 4.885 4.660 -0.000 0.000 0.368 3247 W C 0.928 177.474 176.519 0.045 0.000 1.154 3247 W CA -0.456 56.724 57.345 -0.276 0.000 1.860 3247 W CB 0.311 29.610 29.460 -0.269 0.000 1.094 3247 W HN 0.419 nan 8.180 nan 0.000 0.643 3248 S N 1.675 117.618 115.700 0.404 0.000 2.416 3248 S HA 0.028 4.498 4.470 -0.000 0.000 0.302 3248 S C 0.255 175.133 174.600 0.462 0.000 1.120 3248 S CA -0.262 58.162 58.200 0.373 0.000 1.067 3248 S CB 0.132 63.465 63.200 0.222 0.000 1.057 3248 S HN 0.245 nan 8.310 nan 0.000 0.518 3249 E N 4.704 125.223 120.200 0.530 0.000 1.979 3249 E HA 0.334 4.684 4.350 -0.000 0.000 0.285 3249 E C -0.907 175.778 176.600 0.141 0.000 1.188 3249 E CA -0.244 56.338 56.400 0.304 0.000 1.214 3249 E CB 0.027 29.979 29.700 0.420 0.000 1.210 3249 E HN 0.601 nan 8.360 nan 0.000 0.477 3250 L N 2.385 123.662 121.223 0.089 0.000 2.549 3250 L HA 0.362 4.702 4.340 -0.000 0.000 0.259 3250 L C -1.551 175.344 176.870 0.041 0.000 0.934 3250 L CA -0.772 54.108 54.840 0.066 0.000 0.865 3250 L CB 1.764 43.874 42.059 0.085 0.000 1.352 3250 L HN 0.030 nan 8.230 nan 0.000 0.410 3251 N N 2.821 121.538 118.700 0.029 0.000 2.483 3251 N HA 0.134 4.874 4.740 -0.000 0.000 0.264 3251 N C -0.759 174.775 175.510 0.039 0.000 1.197 3251 N CA 0.186 53.255 53.050 0.031 0.000 0.927 3251 N CB 0.524 39.031 38.487 0.032 0.000 1.065 3251 N HN 0.667 nan 8.380 nan 0.000 0.461 3252 N N 2.457 121.187 118.700 0.050 0.000 2.408 3252 N HA 0.223 4.963 4.740 -0.000 0.000 0.280 3252 N C 1.296 176.846 175.510 0.067 0.000 1.002 3252 N CA -0.564 52.518 53.050 0.053 0.000 0.907 3252 N CB 0.707 39.229 38.487 0.059 0.000 1.161 3252 N HN 0.312 nan 8.380 nan 0.000 0.488 3253 I N 1.687 122.277 120.570 0.033 0.000 2.208 3253 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 3253 I C 1.776 177.941 176.117 0.080 0.000 1.097 3253 I CA 1.242 62.550 61.300 0.013 0.000 1.363 3253 I CB -0.692 37.284 38.000 -0.039 0.000 1.051 3253 I HN 0.695 nan 8.210 nan 0.000 0.413 3254 Q N 1.027 120.869 119.800 0.070 0.000 2.061 3254 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 3254 Q C 1.887 177.948 176.000 0.102 0.000 0.984 3254 Q CA 1.751 57.602 55.803 0.081 0.000 0.846 3254 Q CB -0.312 28.464 28.738 0.064 0.000 0.902 3254 Q HN 0.449 nan 8.270 nan 0.000 0.421 3255 D N -1.610 118.849 120.400 0.098 0.000 2.178 3255 D HA -0.143 4.497 4.640 -0.000 0.000 0.202 3255 D C 1.718 178.084 176.300 0.110 0.000 0.974 3255 D CA 1.145 55.199 54.000 0.089 0.000 0.841 3255 D CB -0.244 40.596 40.800 0.068 0.000 0.953 3255 D HN 0.476 nan 8.370 nan 0.000 0.478 3256 H N 1.212 120.306 119.070 0.039 0.000 2.290 3256 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 3256 H C 1.752 177.139 175.328 0.098 0.000 1.087 3256 H CA 1.990 58.068 56.048 0.050 0.000 1.291 3256 H CB 0.181 29.953 29.762 0.017 0.000 1.369 3256 H HN -0.050 nan 8.280 nan 0.000 0.492 3257 N N -0.327 118.555 118.700 0.304 0.000 2.166 3257 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 3257 N C 1.872 177.483 175.510 0.167 0.000 1.019 3257 N CA 1.702 54.908 53.050 0.261 0.000 0.856 3257 N CB -0.632 37.975 38.487 0.199 0.000 0.993 3257 N HN 0.451 nan 8.380 nan 0.000 0.426 3258 T N 2.366 116.988 114.554 0.113 0.000 2.708 3258 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 3258 T C 1.965 176.688 174.700 0.037 0.000 1.037 3258 T CA 0.649 62.792 62.100 0.072 0.000 1.146 3258 T CB -0.052 68.852 68.868 0.060 0.000 0.865 3258 T HN 0.089 nan 8.240 nan 0.000 0.435 3259 I N 0.225 120.802 120.570 0.012 0.000 2.142 3259 I HA -0.156 4.014 4.170 -0.000 0.000 0.240 3259 I C 2.278 178.379 176.117 -0.026 0.000 1.078 3259 I CA 1.190 62.459 61.300 -0.051 0.000 1.343 3259 I CB -1.317 36.626 38.000 -0.095 0.000 1.046 3259 I HN 0.520 nan 8.210 nan 0.000 0.405 3260 W N 1.934 123.129 121.300 -0.174 0.000 2.374 3260 W HA -0.211 4.449 4.660 -0.000 0.000 0.288 3260 W C 2.204 178.694 176.519 -0.048 0.000 1.218 3260 W CA 1.411 58.674 57.345 -0.137 0.000 1.245 3260 W CB 0.130 29.491 29.460 -0.166 0.000 1.126 3260 W HN 0.197 nan 8.180 nan 0.000 0.545 3261 E N -0.486 119.735 120.200 0.034 0.000 2.051 3261 E HA -0.030 4.320 4.350 -0.000 0.000 0.189 3261 E C 2.503 179.057 176.600 -0.076 0.000 0.979 3261 E CA 1.615 58.005 56.400 -0.017 0.000 0.803 3261 E CB -1.003 28.739 29.700 0.071 0.000 0.761 3261 E HN 0.217 nan 8.360 nan 0.000 0.451 3262 G N 0.005 108.777 108.800 -0.047 0.000 2.440 3262 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 3262 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 3262 G C 1.664 176.514 174.900 -0.084 0.000 1.154 3262 G CA 1.176 46.253 45.100 -0.039 0.000 0.767 3262 G HN 0.349 nan 8.290 nan 0.000 0.552 3263 C N -0.280 118.921 119.300 -0.166 0.000 2.475 3263 C HA 0.045 4.505 4.460 -0.000 0.000 0.279 3263 C C 3.077 177.919 174.990 -0.246 0.000 1.322 3263 C CA 0.397 59.295 59.018 -0.201 0.000 1.734 3263 C CB -1.062 26.534 27.740 -0.240 0.000 2.005 3263 C HN 0.581 nan 8.230 nan 0.000 0.495 3264 C N 0.269 119.336 119.300 -0.388 0.000 2.435 3264 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 3264 C C 2.858 177.758 174.990 -0.150 0.000 1.321 3264 C CA 0.914 59.723 59.018 -0.348 0.000 1.752 3264 C CB -1.318 26.120 27.740 -0.504 0.000 1.959 3264 C HN 0.606 nan 8.230 nan 0.000 0.500 3265 R N 0.737 121.176 120.500 -0.101 0.000 2.091 3265 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 3265 R C 2.062 178.377 176.300 0.024 0.000 1.136 3265 R CA 1.374 57.461 56.100 -0.021 0.000 0.959 3265 R CB -0.565 29.738 30.300 0.005 0.000 0.856 3265 R HN 0.523 nan 8.270 nan 0.000 0.437 3266 L N -0.747 120.491 121.223 0.025 0.000 2.072 3266 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 3266 L C -0.005 176.928 176.870 0.105 0.000 1.079 3266 L CA 1.064 55.961 54.840 0.094 0.000 0.752 3266 L CB 0.182 42.264 42.059 0.037 0.000 0.906 3266 L HN 0.181 nan 8.230 nan 0.000 0.436 3267 E N -1.224 118.994 120.200 0.030 0.000 2.580 3267 E HA 0.202 4.552 4.350 -0.000 0.000 0.248 3267 E C -2.041 174.562 176.600 0.006 0.000 1.018 3267 E CA -1.696 54.729 56.400 0.042 0.000 0.775 3267 E CB 1.392 31.131 29.700 0.064 0.000 1.378 3267 E HN -0.069 nan 8.360 nan 0.000 0.401 3268 P HA -0.188 nan 4.420 nan 0.000 0.218 3268 P C 1.173 178.495 177.300 0.037 0.000 1.146 3268 P CA 1.541 64.639 63.100 -0.003 0.000 0.813 3268 P CB 0.077 31.776 31.700 -0.001 0.000 0.778 3269 T N -3.301 111.312 114.554 0.098 0.000 2.946 3269 T HA -0.139 4.211 4.350 -0.000 0.000 0.271 3269 T C 1.564 176.453 174.700 0.316 0.000 1.104 3269 T CA 0.750 62.966 62.100 0.194 0.000 1.114 3269 T CB -0.956 68.109 68.868 0.329 0.000 0.867 3269 T HN -0.090 nan 8.240 nan 0.000 0.513 3270 L N 0.275 121.594 121.223 0.160 0.000 2.465 3270 L HA 0.331 4.671 4.340 -0.000 0.000 0.224 3270 L C 2.334 179.218 176.870 0.025 0.000 1.145 3270 L CA 1.089 55.961 54.840 0.053 0.000 0.834 3270 L CB -0.920 41.029 42.059 -0.185 0.000 0.944 3270 L HN 0.152 nan 8.230 nan 0.000 0.451 3271 K N -0.293 120.144 120.400 0.061 0.000 2.281 3271 K HA -0.078 4.242 4.320 -0.000 0.000 0.203 3271 K C 1.503 178.300 176.600 0.328 0.000 1.046 3271 K CA 1.014 57.395 56.287 0.157 0.000 0.938 3271 K CB -0.024 32.543 32.500 0.111 0.000 0.737 3271 K HN 0.301 nan 8.250 nan 0.000 0.458 3272 N N -0.686 118.191 118.700 0.295 0.000 2.184 3272 N HA 0.131 4.871 4.740 -0.000 0.000 0.206 3272 N C -0.635 175.078 175.510 0.338 0.000 1.151 3272 N CA 0.165 53.382 53.050 0.277 0.000 0.878 3272 N CB 0.709 39.303 38.487 0.178 0.000 1.014 3272 N HN 0.044 nan 8.380 nan 0.000 0.512 3273 A N 1.342 124.413 122.820 0.419 0.000 2.498 3273 A HA 0.184 4.504 4.320 -0.000 0.000 0.239 3273 A C 0.575 178.332 177.584 0.288 0.000 1.068 3273 A CA -0.034 52.219 52.037 0.359 0.000 0.766 3273 A CB 0.245 19.398 19.000 0.254 0.000 1.003 3273 A HN 0.171 nan 8.150 nan 0.000 0.497 3274 R N 1.674 122.288 120.500 0.189 0.000 2.347 3274 R HA 0.356 4.696 4.340 -0.000 0.000 0.304 3274 R C -0.547 175.804 176.300 0.086 0.000 1.072 3274 R CA 0.025 56.193 56.100 0.113 0.000 0.980 3274 R CB -0.064 30.290 30.300 0.089 0.000 0.986 3274 R HN 0.616 nan 8.270 nan 0.000 0.448 3275 I N 6.875 127.468 120.570 0.037 0.000 2.363 3275 I HA 0.013 4.183 4.170 -0.000 0.000 0.292 3275 I C 0.789 176.919 176.117 0.023 0.000 1.075 3275 I CA -0.361 60.955 61.300 0.025 0.000 1.333 3275 I CB 0.773 38.749 38.000 -0.039 0.000 1.415 3275 I HN 0.613 nan 8.210 nan 0.000 0.502 3276 I N 4.506 125.095 120.570 0.031 0.000 2.385 3276 I HA 0.207 4.377 4.170 -0.000 0.000 0.244 3276 I C 1.231 177.361 176.117 0.022 0.000 1.089 3276 I CA 0.753 62.067 61.300 0.024 0.000 1.410 3276 I CB -0.950 37.063 38.000 0.022 0.000 1.117 3276 I HN 0.649 nan 8.210 nan 0.000 0.429 3277 G N -0.166 108.650 108.800 0.026 0.000 2.649 3277 G HA2 0.547 4.507 3.960 -0.000 0.000 0.290 3277 G HA3 0.547 4.507 3.960 -0.000 0.000 0.290 3277 G C -1.542 173.377 174.900 0.032 0.000 1.426 3277 G CA -0.299 44.816 45.100 0.026 0.000 0.794 3277 G HN 0.059 nan 8.290 nan 0.000 0.483 3278 E N -0.496 119.723 120.200 0.032 0.000 2.343 3278 E HA 0.655 5.005 4.350 -0.000 0.000 0.278 3278 E C -1.057 175.555 176.600 0.020 0.000 0.910 3278 E CA -0.837 55.585 56.400 0.036 0.000 0.757 3278 E CB 1.796 31.540 29.700 0.072 0.000 1.218 3278 E HN 0.343 nan 8.360 nan 0.000 0.435 3279 R N 1.367 121.870 120.500 0.005 0.000 2.707 3279 R HA 0.501 4.841 4.340 -0.000 0.000 0.272 3279 R C -1.390 174.881 176.300 -0.048 0.000 1.011 3279 R CA -0.739 55.351 56.100 -0.016 0.000 0.893 3279 R CB 2.148 32.441 30.300 -0.013 0.000 1.233 3279 R HN 0.579 nan 8.270 nan 0.000 0.464 3280 T N 0.310 114.809 114.554 -0.092 0.000 2.841 3280 T HA 0.754 5.104 4.350 -0.000 0.000 0.283 3280 T C -0.186 174.318 174.700 -0.327 0.000 1.000 3280 T CA -0.693 61.294 62.100 -0.188 0.000 0.977 3280 T CB 2.148 70.904 68.868 -0.186 0.000 0.979 3280 T HN 0.687 nan 8.240 nan 0.000 0.446 3281 G N 0.989 109.538 108.800 -0.417 0.000 2.680 3281 G HA2 0.698 4.658 3.960 -0.000 0.000 0.290 3281 G HA3 0.698 4.658 3.960 -0.000 0.000 0.290 3281 G C -1.819 172.691 174.900 -0.650 0.000 1.355 3281 G CA -0.716 44.081 45.100 -0.505 0.000 0.903 3281 G HN 0.506 nan 8.290 nan 0.000 0.474 3282 F N 0.908 120.754 119.950 -0.173 0.000 2.366 3282 F HA 0.474 5.001 4.527 -0.000 0.000 0.366 3282 F C 0.918 176.519 175.800 -0.331 0.000 1.096 3282 F CA -0.971 56.819 58.000 -0.351 0.000 1.060 3282 F CB 1.512 40.170 39.000 -0.570 0.000 1.282 3282 F HN 0.121 nan 8.300 nan 0.000 0.450 3283 R N 3.995 124.412 120.500 -0.138 0.000 2.502 3283 R HA 0.101 4.441 4.340 -0.000 0.000 0.292 3283 R C -2.244 173.988 176.300 -0.113 0.000 0.998 3283 R CA -1.301 54.739 56.100 -0.100 0.000 1.056 3283 R CB -0.021 30.234 30.300 -0.076 0.000 0.939 3283 R HN 0.254 nan 8.270 nan 0.000 0.411 3284 P HA 0.009 nan 4.420 nan 0.000 0.249 3284 P C -0.370 176.960 177.300 0.050 0.000 1.737 3284 P CA 0.029 63.115 63.100 -0.024 0.000 1.128 3284 P CB 0.172 31.910 31.700 0.063 0.000 1.942 3285 V N 4.399 124.337 119.914 0.040 0.000 2.521 3285 V HA 0.201 4.321 4.120 -0.000 0.000 0.286 3285 V C 0.988 177.164 176.094 0.135 0.000 1.034 3285 V CA 0.367 62.755 62.300 0.148 0.000 1.045 3285 V CB -0.060 31.872 31.823 0.183 0.000 0.974 3285 V HN 0.451 nan 8.190 nan 0.000 0.480 3286 R N 4.176 124.774 120.500 0.164 0.000 2.629 3286 R HA 0.349 4.689 4.340 -0.000 0.000 0.266 3286 R C -2.217 174.166 176.300 0.139 0.000 1.051 3286 R CA -1.320 54.856 56.100 0.126 0.000 0.895 3286 R CB 2.384 32.736 30.300 0.087 0.000 1.246 3286 R HN 0.381 nan 8.270 nan 0.000 0.459 3287 P HA -0.180 nan 4.420 nan 0.000 0.217 3287 P C -0.748 176.614 177.300 0.103 0.000 1.148 3287 P CA 1.178 64.341 63.100 0.104 0.000 0.828 3287 P CB 0.221 31.963 31.700 0.069 0.000 0.783 3288 Q N -2.182 117.661 119.800 0.072 0.000 2.435 3288 Q HA 0.386 4.726 4.340 -0.000 0.000 0.282 3288 Q C -0.962 175.037 176.000 -0.002 0.000 1.020 3288 Q CA -0.979 54.862 55.803 0.064 0.000 0.820 3288 Q CB 0.749 29.512 28.738 0.042 0.000 1.436 3288 Q HN -0.154 nan 8.270 nan 0.000 0.395 3289 I N 1.613 122.170 120.570 -0.021 0.000 2.710 3289 I HA 0.030 4.200 4.170 -0.000 0.000 0.286 3289 I C 0.559 176.565 176.117 -0.185 0.000 1.181 3289 I CA 0.222 61.404 61.300 -0.197 0.000 1.430 3289 I CB 0.285 38.124 38.000 -0.268 0.000 1.367 3289 I HN 0.516 nan 8.210 nan 0.000 0.577 3290 R N 6.368 126.639 120.500 -0.381 0.000 2.391 3290 R HA 0.296 4.636 4.340 -0.000 0.000 0.310 3290 R C -1.283 174.855 176.300 -0.270 0.000 1.174 3290 R CA -0.719 55.158 56.100 -0.372 0.000 1.118 3290 R CB 0.285 30.181 30.300 -0.674 0.000 1.134 3290 R HN 0.394 nan 8.270 nan 0.000 0.524 3291 L N 5.532 126.705 121.223 -0.083 0.000 2.356 3291 L HA 0.359 4.699 4.340 -0.000 0.000 0.264 3291 L C -0.962 175.939 176.870 0.052 0.000 1.029 3291 L CA -0.084 54.743 54.840 -0.022 0.000 0.897 3291 L CB 0.717 42.731 42.059 -0.075 0.000 1.256 3291 L HN 0.689 nan 8.230 nan 0.000 0.444 3292 E N 3.358 123.599 120.200 0.068 0.000 2.423 3292 E HA 0.455 4.805 4.350 -0.000 0.000 0.280 3292 E C -1.357 175.298 176.600 0.091 0.000 1.030 3292 E CA -1.108 55.340 56.400 0.081 0.000 0.812 3292 E CB 1.599 31.343 29.700 0.072 0.000 1.313 3292 E HN 0.397 nan 8.360 nan 0.000 0.456 3293 R N 0.449 120.982 120.500 0.055 0.000 2.532 3293 R HA 0.396 4.736 4.340 -0.000 0.000 0.272 3293 R C -0.815 175.507 176.300 0.038 0.000 1.032 3293 R CA -0.248 55.862 56.100 0.017 0.000 1.089 3293 R CB 1.247 31.544 30.300 -0.005 0.000 1.098 3293 R HN 0.715 nan 8.270 nan 0.000 0.526 3294 E N 1.279 121.477 120.200 -0.002 0.000 2.363 3294 E HA 0.072 4.422 4.350 -0.000 0.000 0.281 3294 E C -1.578 175.001 176.600 -0.036 0.000 0.953 3294 E CA -0.703 55.707 56.400 0.017 0.000 0.778 3294 E CB 1.337 31.102 29.700 0.109 0.000 1.220 3294 E HN 0.417 nan 8.360 nan 0.000 0.431 3295 Q N 3.646 123.435 119.800 -0.020 0.000 2.421 3295 Q HA 0.280 4.620 4.340 -0.000 0.000 0.242 3295 Q C -0.485 175.504 176.000 -0.020 0.000 1.024 3295 Q CA -0.457 55.327 55.803 -0.032 0.000 0.891 3295 Q CB 1.046 29.770 28.738 -0.022 0.000 1.222 3295 Q HN 0.449 nan 8.270 nan 0.000 0.483 3296 L N 3.454 124.652 121.223 -0.041 0.000 2.260 3296 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 3296 L C -0.227 176.649 176.870 0.010 0.000 1.057 3296 L CA -0.424 54.409 54.840 -0.011 0.000 0.811 3296 L CB 0.432 42.463 42.059 -0.047 0.000 1.184 3296 L HN 0.306 nan 8.230 nan 0.000 0.429 3297 R N 2.583 123.099 120.500 0.026 0.000 2.404 3297 R HA 0.283 4.623 4.340 -0.000 0.000 0.315 3297 R C -0.238 176.084 176.300 0.036 0.000 1.032 3297 R CA 0.212 56.327 56.100 0.025 0.000 0.992 3297 R CB 0.334 30.649 30.300 0.025 0.000 0.959 3297 R HN 0.568 nan 8.270 nan 0.000 0.428 3298 T N 2.051 116.622 114.554 0.029 0.000 3.066 3298 T HA 0.491 4.841 4.350 -0.000 0.000 0.318 3298 T C 0.706 175.420 174.700 0.023 0.000 0.979 3298 T CA 0.217 62.338 62.100 0.035 0.000 1.025 3298 T CB 0.388 69.284 68.868 0.047 0.000 1.002 3298 T HN 0.758 nan 8.240 nan 0.000 0.453 3299 G N 7.132 115.944 108.800 0.021 0.000 2.672 3299 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.324 3299 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.324 3299 G C -0.725 174.181 174.900 0.010 0.000 1.286 3299 G CA 0.484 45.593 45.100 0.015 0.000 1.004 3299 G HN 0.716 nan 8.290 nan 0.000 0.548 3300 P HA 0.041 nan 4.420 nan 0.000 0.213 3300 P C 0.992 178.293 177.300 0.001 0.000 1.176 3300 P CA 2.218 65.320 63.100 0.004 0.000 0.919 3300 P CB -0.200 31.502 31.700 0.003 0.000 0.791 3301 S N -0.362 115.338 115.700 0.001 0.000 2.594 3301 S HA 0.387 4.857 4.470 -0.000 0.000 0.296 3301 S C -0.488 174.110 174.600 -0.003 0.000 1.124 3301 S CA -1.019 57.178 58.200 -0.004 0.000 1.011 3301 S CB 0.056 63.250 63.200 -0.009 0.000 1.016 3301 S HN 0.151 nan 8.310 nan 0.000 0.485 3302 N N 2.566 121.263 118.700 -0.004 0.000 2.345 3302 N HA 0.154 4.894 4.740 -0.000 0.000 0.243 3302 N C -0.083 175.416 175.510 -0.018 0.000 1.246 3302 N CA 0.048 53.094 53.050 -0.006 0.000 0.863 3302 N CB 0.145 38.629 38.487 -0.006 0.000 1.096 3302 N HN 0.569 nan 8.380 nan 0.000 0.446 3303 T N -1.747 112.794 114.554 -0.022 0.000 2.855 3303 T HA 0.332 4.682 4.350 -0.000 0.000 0.281 3303 T C -0.235 174.424 174.700 -0.068 0.000 1.007 3303 T CA -1.066 61.012 62.100 -0.036 0.000 1.009 3303 T CB 1.215 70.072 68.868 -0.019 0.000 0.983 3303 T HN 0.440 nan 8.240 nan 0.000 0.455 3304 E N 1.342 121.495 120.200 -0.079 0.000 2.383 3304 E HA 0.427 4.777 4.350 -0.000 0.000 0.264 3304 E C -0.650 175.862 176.600 -0.148 0.000 1.050 3304 E CA -0.351 55.986 56.400 -0.104 0.000 0.896 3304 E CB 1.624 31.265 29.700 -0.098 0.000 0.982 3304 E HN 0.510 nan 8.360 nan 0.000 0.424 3305 V N 4.150 123.940 119.914 -0.207 0.000 2.569 3305 V HA 0.327 4.447 4.120 -0.000 0.000 0.301 3305 V C -0.294 175.600 176.094 -0.332 0.000 1.044 3305 V CA -0.606 61.483 62.300 -0.352 0.000 0.874 3305 V CB 1.521 32.969 31.823 -0.624 0.000 1.002 3305 V HN 0.455 nan 8.190 nan 0.000 0.424 3306 I N 4.320 124.732 120.570 -0.263 0.000 2.330 3306 I HA 0.462 4.632 4.170 -0.000 0.000 0.289 3306 I C -0.226 175.779 176.117 -0.187 0.000 1.001 3306 I CA -0.458 60.743 61.300 -0.165 0.000 1.193 3306 I CB 0.985 38.962 38.000 -0.038 0.000 1.345 3306 I HN 0.609 nan 8.210 nan 0.000 0.461 3307 H N 4.642 123.736 119.070 0.040 0.000 2.548 3307 H HA 0.373 4.929 4.556 -0.000 0.000 0.331 3307 H C -0.139 175.238 175.328 0.080 0.000 1.093 3307 H CA -0.289 55.840 56.048 0.136 0.000 1.367 3307 H CB 0.849 30.709 29.762 0.163 0.000 1.455 3307 H HN 0.425 nan 8.280 nan 0.000 0.519 3308 N N 2.981 121.863 118.700 0.304 0.000 2.685 3308 N HA 0.106 4.846 4.740 -0.000 0.000 0.252 3308 N C -1.995 173.756 175.510 0.402 0.000 1.261 3308 N CA -0.623 52.550 53.050 0.206 0.000 0.768 3308 N CB 0.218 38.787 38.487 0.137 0.000 1.304 3308 N HN 0.603 nan 8.380 nan 0.000 0.536 3309 Y N -0.944 119.476 120.300 0.200 0.000 2.656 3309 Y HA 0.655 5.205 4.550 -0.000 0.000 0.334 3309 Y C 0.435 176.331 175.900 -0.006 0.000 1.179 3309 Y CA -0.847 57.379 58.100 0.209 0.000 1.050 3309 Y CB 0.790 39.361 38.460 0.184 0.000 1.308 3309 Y HN 0.299 nan 8.280 nan 0.000 0.456 3310 G N 1.476 110.440 108.800 0.272 0.000 2.325 3310 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.248 3310 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.248 3310 G C -0.647 174.154 174.900 -0.166 0.000 1.108 3310 G CA 0.177 45.317 45.100 0.067 0.000 0.881 3310 G HN 1.091 nan 8.290 nan 0.000 0.494 3311 H N -0.163 118.829 119.070 -0.131 0.000 2.524 3311 H HA 0.438 4.994 4.556 -0.000 0.000 0.280 3311 H C 2.196 177.162 175.328 -0.603 0.000 1.018 3311 H CA 0.968 56.740 56.048 -0.460 0.000 1.165 3311 H CB 0.273 29.804 29.762 -0.385 0.000 1.411 3311 H HN 1.164 nan 8.280 nan 0.000 0.569 3312 G N 0.922 109.684 108.800 -0.064 0.000 2.684 3312 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.342 3312 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.342 3312 G C 1.261 176.265 174.900 0.174 0.000 1.316 3312 G CA 0.409 45.609 45.100 0.167 0.000 0.994 3312 G HN 0.608 nan 8.290 nan 0.000 0.541 3313 G N -0.920 108.181 108.800 0.502 0.000 4.084 3313 G HA2 0.565 4.525 3.960 -0.000 0.000 0.293 3313 G HA3 0.565 4.525 3.960 -0.000 0.000 0.293 3313 G C 0.123 175.244 174.900 0.369 0.000 1.303 3313 G CA 0.971 46.334 45.100 0.439 0.000 1.289 3313 G HN 1.632 nan 8.290 nan 0.000 0.609 3314 Y N -4.293 115.995 120.300 -0.020 0.000 3.075 3314 Y HA 0.298 4.848 4.550 -0.000 0.000 0.270 3314 Y C 1.383 177.262 175.900 -0.036 0.000 1.071 3314 Y CA -0.989 57.038 58.100 -0.122 0.000 1.269 3314 Y CB -0.329 37.950 38.460 -0.302 0.000 1.291 3314 Y HN 0.002 nan 8.280 nan 0.000 0.613 3315 G N 1.988 110.682 108.800 -0.177 0.000 2.469 3315 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 3315 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 3315 G C 1.309 176.214 174.900 0.009 0.000 1.150 3315 G CA 1.616 46.637 45.100 -0.131 0.000 0.763 3315 G HN 0.312 nan 8.290 nan 0.000 0.561 3316 L N 0.915 122.151 121.223 0.023 0.000 2.093 3316 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 3316 L C 3.011 180.024 176.870 0.239 0.000 1.085 3316 L CA 1.803 56.699 54.840 0.093 0.000 0.755 3316 L CB -1.591 40.461 42.059 -0.012 0.000 0.904 3316 L HN 0.201 nan 8.230 nan 0.000 0.435 3317 T N -0.608 113.999 114.554 0.089 0.000 2.962 3317 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 3317 T C 1.856 176.680 174.700 0.207 0.000 1.088 3317 T CA 1.057 63.142 62.100 -0.024 0.000 1.127 3317 T CB 0.191 68.780 68.868 -0.466 0.000 0.883 3317 T HN 0.224 nan 8.240 nan 0.000 0.493 3318 I N -0.120 120.592 120.570 0.237 0.000 4.456 3318 I HA 0.094 4.264 4.170 -0.000 0.000 0.329 3318 I C 2.059 178.274 176.117 0.164 0.000 1.313 3318 I CA 0.012 61.475 61.300 0.270 0.000 1.205 3318 I CB 0.213 38.413 38.000 0.334 0.000 1.179 3318 I HN 0.288 nan 8.210 nan 0.000 0.419 3319 H N -0.063 119.087 119.070 0.134 0.000 2.362 3319 H HA -0.335 4.221 4.556 -0.000 0.000 0.294 3319 H C 2.032 177.446 175.328 0.143 0.000 1.113 3319 H CA 2.546 58.641 56.048 0.078 0.000 1.253 3319 H CB -0.992 28.843 29.762 0.122 0.000 1.363 3319 H HN 0.557 nan 8.280 nan 0.000 0.494 3320 W N 2.550 123.322 121.300 -0.879 0.000 2.379 3320 W HA -0.105 4.555 4.660 0.000 0.000 0.307 3320 W C 2.556 178.909 176.519 -0.277 0.000 1.200 3320 W CA 1.500 58.514 57.345 -0.551 0.000 1.297 3320 W CB -0.522 28.623 29.460 -0.525 0.000 1.140 3320 W HN 0.458 nan 8.180 nan 0.000 0.507 3321 G N 0.593 109.328 108.800 -0.109 0.000 2.491 3321 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.218 3321 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.218 3321 G C 1.466 175.962 174.900 -0.675 0.000 1.180 3321 G CA 1.644 46.643 45.100 -0.169 0.000 0.774 3321 G HN 0.360 nan 8.290 nan 0.000 0.562 3322 C N 0.954 119.819 119.300 -0.725 0.000 2.413 3322 C HA 0.155 4.615 4.460 -0.000 0.000 0.277 3322 C C 3.547 178.238 174.990 -0.497 0.000 1.265 3322 C CA 0.791 59.324 59.018 -0.808 0.000 1.752 3322 C CB -1.086 26.407 27.740 -0.411 0.000 1.998 3322 C HN 0.588 nan 8.230 nan 0.000 0.489 3323 A N 0.341 122.919 122.820 -0.404 0.000 1.902 3323 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 3323 A C 2.127 179.459 177.584 -0.419 0.000 1.181 3323 A CA 1.385 53.208 52.037 -0.356 0.000 0.623 3323 A CB -0.557 18.235 19.000 -0.346 0.000 0.818 3323 A HN 0.614 nan 8.150 nan 0.000 0.443 3324 L N -0.968 119.919 121.223 -0.561 0.000 2.046 3324 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 3324 L C 2.680 179.426 176.870 -0.207 0.000 1.077 3324 L CA 1.756 56.344 54.840 -0.421 0.000 0.747 3324 L CB -0.463 41.329 42.059 -0.445 0.000 0.896 3324 L HN 0.468 nan 8.230 nan 0.000 0.432 3325 E N 0.596 120.661 120.200 -0.225 0.000 2.077 3325 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 3325 E C 2.098 178.660 176.600 -0.063 0.000 0.989 3325 E CA 1.577 57.926 56.400 -0.086 0.000 0.800 3325 E CB -0.116 29.490 29.700 -0.156 0.000 0.746 3325 E HN 0.368 nan 8.360 nan 0.000 0.452 3326 A N 0.615 123.356 122.820 -0.132 0.000 1.933 3326 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 3326 A C 2.415 180.014 177.584 0.024 0.000 1.175 3326 A CA 2.007 54.010 52.037 -0.056 0.000 0.628 3326 A CB -0.921 18.027 19.000 -0.087 0.000 0.814 3326 A HN 0.390 nan 8.150 nan 0.000 0.444 3327 A N -0.523 122.303 122.820 0.009 0.000 1.930 3327 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 3327 A C 2.115 179.871 177.584 0.287 0.000 1.175 3327 A CA 1.762 53.889 52.037 0.150 0.000 0.627 3327 A CB -0.400 18.636 19.000 0.060 0.000 0.815 3327 A HN 0.508 nan 8.150 nan 0.000 0.443 3328 K N -0.321 120.172 120.400 0.154 0.000 2.032 3328 K HA -0.090 4.230 4.320 -0.000 0.000 0.209 3328 K C 1.840 178.513 176.600 0.121 0.000 1.048 3328 K CA 1.525 57.901 56.287 0.149 0.000 0.927 3328 K CB -0.328 32.228 32.500 0.093 0.000 0.712 3328 K HN 0.499 nan 8.250 nan 0.000 0.441 3329 L N -0.105 121.175 121.223 0.095 0.000 2.131 3329 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 3329 L C 2.294 179.191 176.870 0.045 0.000 1.092 3329 L CA 0.843 55.718 54.840 0.059 0.000 0.759 3329 L CB -0.373 41.715 42.059 0.049 0.000 0.903 3329 L HN 0.195 nan 8.230 nan 0.000 0.435 3330 F N 0.855 120.757 119.950 -0.080 0.000 2.234 3330 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 3330 F C 2.177 177.792 175.800 -0.309 0.000 1.087 3330 F CA 1.173 59.066 58.000 -0.179 0.000 1.340 3330 F CB -0.397 38.500 39.000 -0.171 0.000 1.031 3330 F HN -0.024 nan 8.300 nan 0.000 0.500 3331 G N 1.050 109.778 108.800 -0.119 0.000 2.511 3331 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.216 3331 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.216 3331 G C 1.747 176.532 174.900 -0.191 0.000 1.218 3331 G CA 0.839 45.840 45.100 -0.164 0.000 0.788 3331 G HN 0.225 nan 8.290 nan 0.000 0.560 3332 R N 0.380 120.821 120.500 -0.099 0.000 2.133 3332 R HA -0.105 4.235 4.340 -0.000 0.000 0.247 3332 R C 2.561 178.769 176.300 -0.154 0.000 1.151 3332 R CA 1.238 57.282 56.100 -0.093 0.000 0.971 3332 R CB -0.982 29.288 30.300 -0.050 0.000 0.866 3332 R HN 0.485 nan 8.270 nan 0.000 0.447 3333 I N 1.018 121.448 120.570 -0.234 0.000 2.179 3333 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 3333 I C 2.459 178.388 176.117 -0.313 0.000 1.088 3333 I CA 1.232 62.365 61.300 -0.278 0.000 1.357 3333 I CB -0.369 37.410 38.000 -0.369 0.000 1.051 3333 I HN 0.058 nan 8.210 nan 0.000 0.409 3334 L N 0.677 121.641 121.223 -0.432 0.000 2.012 3334 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 3334 L C 2.703 179.451 176.870 -0.202 0.000 1.073 3334 L CA 2.027 56.651 54.840 -0.361 0.000 0.748 3334 L CB -0.942 40.860 42.059 -0.429 0.000 0.891 3334 L HN 0.397 nan 8.230 nan 0.000 0.431 3335 E N 0.423 120.528 120.200 -0.158 0.000 2.106 3335 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 3335 E C 1.863 178.413 176.600 -0.084 0.000 0.984 3335 E CA 1.284 57.628 56.400 -0.094 0.000 0.806 3335 E CB -0.283 29.380 29.700 -0.063 0.000 0.750 3335 E HN 0.504 nan 8.360 nan 0.000 0.458 3336 E N 1.102 121.244 120.200 -0.096 0.000 2.072 3336 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 3336 E C 1.749 178.301 176.600 -0.080 0.000 0.985 3336 E CA 0.887 57.239 56.400 -0.079 0.000 0.801 3336 E CB -0.010 29.642 29.700 -0.080 0.000 0.750 3336 E HN 0.130 nan 8.360 nan 0.000 0.452 3337 K N 1.063 121.400 120.400 -0.105 0.000 2.589 3337 K HA -0.056 4.264 4.320 -0.000 0.000 0.192 3337 K C -0.686 175.866 176.600 -0.079 0.000 1.029 3337 K CA 0.239 56.469 56.287 -0.095 0.000 1.031 3337 K CB -0.040 32.387 32.500 -0.122 0.000 0.821 3337 K HN -0.052 nan 8.250 nan 0.000 0.502 3338 K N 0.007 120.364 120.400 -0.072 0.000 4.387 3338 K HA -0.181 4.139 4.320 -0.000 0.000 0.290 3338 K C -0.544 176.021 176.600 -0.059 0.000 0.936 3338 K CA 0.191 56.444 56.287 -0.056 0.000 0.890 3338 K CB -0.768 31.706 32.500 -0.042 0.000 1.617 3338 K HN 0.108 nan 8.250 nan 0.000 0.437 3339 L N 0.219 121.400 121.223 -0.071 0.000 3.584 3339 L HA 0.076 4.416 4.340 -0.000 0.000 0.354 3339 L C -0.072 176.760 176.870 -0.065 0.000 1.345 3339 L CA 0.189 54.987 54.840 -0.070 0.000 0.970 3339 L CB 0.989 42.992 42.059 -0.094 0.000 1.374 3339 L HN 0.450 nan 8.230 nan 0.000 0.612 3340 S N 0.000 115.671 115.700 -0.049 0.000 2.498 3340 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 3340 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 3340 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 3340 S HN 0.000 nan 8.310 nan 0.000 0.517