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 2e48_1_D 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 0.000 176.345 176.300 0.074 0.000 1.140 3001 M CA 0.000 55.334 55.300 0.056 0.000 0.988 3001 M CB 0.000 32.646 32.600 0.076 0.000 1.302 3002 R N 2.701 123.236 120.500 0.057 0.000 2.205 3002 R HA 0.651 4.990 4.340 -0.001 0.000 0.342 3002 R C -0.754 175.576 176.300 0.049 0.000 1.058 3002 R CA -0.604 55.525 56.100 0.048 0.000 0.904 3002 R CB 0.803 31.122 30.300 0.031 0.000 1.089 3002 R HN 0.428 nan 8.270 nan 0.000 0.471 3003 V N 4.338 124.277 119.914 0.041 0.000 2.394 3003 V HA 0.272 4.392 4.120 -0.001 0.000 0.282 3003 V C 0.098 176.160 176.094 -0.055 0.000 1.031 3003 V CA -0.696 61.607 62.300 0.006 0.000 0.881 3003 V CB 1.924 33.721 31.823 -0.044 0.000 0.982 3003 V HN 0.407 nan 8.190 nan 0.000 0.451 3004 V N 5.789 125.657 119.914 -0.078 0.000 2.407 3004 V HA 0.402 4.522 4.120 -0.001 0.000 0.291 3004 V C -0.261 175.761 176.094 -0.119 0.000 1.018 3004 V CA -0.570 61.634 62.300 -0.160 0.000 0.842 3004 V CB 2.007 33.721 31.823 -0.182 0.000 0.996 3004 V HN 0.614 nan 8.190 nan 0.000 0.426 3005 V N 6.721 126.553 119.914 -0.137 0.000 2.350 3005 V HA 0.458 4.577 4.120 -0.001 0.000 0.276 3005 V C -0.003 176.053 176.094 -0.063 0.000 1.028 3005 V CA -0.355 61.893 62.300 -0.087 0.000 0.860 3005 V CB 1.356 33.125 31.823 -0.091 0.000 0.990 3005 V HN 0.681 nan 8.190 nan 0.000 0.453 3006 I N 4.794 125.368 120.570 0.007 0.000 2.297 3006 I HA 0.730 4.899 4.170 -0.001 0.000 0.291 3006 I C 0.768 176.891 176.117 0.010 0.000 1.033 3006 I CA 0.094 61.423 61.300 0.048 0.000 1.253 3006 I CB 0.982 39.046 38.000 0.107 0.000 1.396 3006 I HN 0.850 nan 8.210 nan 0.000 0.476 3007 G N 4.405 113.171 108.800 -0.056 0.000 3.014 3007 G HA2 0.229 4.188 3.960 -0.001 0.000 0.683 3007 G HA3 0.229 4.188 3.960 -0.001 0.000 0.683 3007 G C -0.532 174.280 174.900 -0.148 0.000 1.271 3007 G CA -0.346 44.700 45.100 -0.091 0.000 0.843 3007 G HN 0.872 nan 8.290 nan 0.000 0.612 3008 A N 1.304 123.984 122.820 -0.234 0.000 2.749 3008 A HA 0.802 5.121 4.320 -0.001 0.000 0.299 3008 A C 1.292 178.827 177.584 -0.082 0.000 1.105 3008 A CA 1.114 53.027 52.037 -0.206 0.000 0.987 3008 A CB -0.118 18.685 19.000 -0.328 0.000 1.180 3008 A HN 2.072 nan 8.150 nan 0.000 0.528 3009 G N -1.101 107.677 108.800 -0.036 0.000 2.504 3009 G HA2 0.321 4.281 3.960 -0.001 0.000 0.257 3009 G HA3 0.321 4.281 3.960 -0.001 0.000 0.257 3009 G C 1.111 176.028 174.900 0.028 0.000 1.451 3009 G CA 0.476 45.588 45.100 0.020 0.000 1.059 3009 G HN 0.463 nan 8.290 nan 0.000 0.550 3010 V N -0.237 119.697 119.914 0.033 0.000 2.515 3010 V HA -0.073 4.046 4.120 -0.001 0.000 0.250 3010 V C 2.535 178.665 176.094 0.060 0.000 1.058 3010 V CA 1.171 63.504 62.300 0.056 0.000 1.064 3010 V CB -0.528 31.321 31.823 0.044 0.000 0.675 3010 V HN 0.470 nan 8.190 nan 0.000 0.461 3011 I N 0.994 121.555 120.570 -0.014 0.000 2.141 3011 I HA -0.009 4.160 4.170 -0.001 0.000 0.236 3011 I C 2.792 178.913 176.117 0.005 0.000 1.071 3011 I CA 1.735 63.010 61.300 -0.041 0.000 1.345 3011 I CB -2.217 35.697 38.000 -0.145 0.000 1.066 3011 I HN 0.343 nan 8.210 nan 0.000 0.406 3012 G N 1.593 110.390 108.800 -0.004 0.000 2.553 3012 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.218 3012 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.218 3012 G C 1.820 176.710 174.900 -0.016 0.000 1.195 3012 G CA 0.912 45.999 45.100 -0.021 0.000 0.779 3012 G HN 0.328 nan 8.290 nan 0.000 0.577 3013 L N 1.239 122.464 121.223 0.003 0.000 2.056 3013 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 3013 L C 3.386 180.299 176.870 0.073 0.000 1.078 3013 L CA 1.549 56.408 54.840 0.031 0.000 0.749 3013 L CB -0.540 41.546 42.059 0.044 0.000 0.901 3013 L HN 0.487 nan 8.230 nan 0.000 0.433 3014 S N -1.330 114.452 115.700 0.136 0.000 2.355 3014 S HA -0.168 4.301 4.470 -0.001 0.000 0.222 3014 S C 1.970 176.640 174.600 0.116 0.000 1.031 3014 S CA 1.530 59.895 58.200 0.276 0.000 0.993 3014 S CB -0.838 62.698 63.200 0.559 0.000 0.859 3014 S HN 0.302 nan 8.310 nan 0.000 0.453 3015 T N 3.052 117.622 114.554 0.026 0.000 2.665 3015 T HA -0.037 4.312 4.350 -0.001 0.000 0.268 3015 T C 2.211 176.869 174.700 -0.069 0.000 1.035 3015 T CA 1.658 63.717 62.100 -0.068 0.000 1.151 3015 T CB -1.014 67.811 68.868 -0.070 0.000 0.862 3015 T HN 0.648 nan 8.240 nan 0.000 0.438 3016 A N 1.091 123.887 122.820 -0.039 0.000 1.948 3016 A HA -0.070 4.250 4.320 -0.001 0.000 0.220 3016 A C 2.252 179.837 177.584 0.002 0.000 1.177 3016 A CA 1.534 53.550 52.037 -0.036 0.000 0.636 3016 A CB -0.758 18.235 19.000 -0.012 0.000 0.815 3016 A HN 0.441 nan 8.150 nan 0.000 0.449 3017 L N -0.574 120.666 121.223 0.028 0.000 2.072 3017 L HA -0.111 4.229 4.340 -0.001 0.000 0.205 3017 L C 2.435 179.348 176.870 0.071 0.000 1.079 3017 L CA 2.194 57.067 54.840 0.055 0.000 0.752 3017 L CB -0.815 41.316 42.059 0.121 0.000 0.906 3017 L HN 0.440 nan 8.230 nan 0.000 0.436 3018 C N -0.207 119.088 119.300 -0.008 0.000 2.473 3018 C HA -0.087 4.372 4.460 -0.001 0.000 0.279 3018 C C 2.685 177.667 174.990 -0.014 0.000 1.250 3018 C CA 0.816 59.783 59.018 -0.084 0.000 1.713 3018 C CB -0.926 26.630 27.740 -0.307 0.000 2.066 3018 C HN 0.586 nan 8.230 nan 0.000 0.474 3019 I N 0.313 120.866 120.570 -0.028 0.000 2.300 3019 I HA -0.306 3.863 4.170 -0.001 0.000 0.252 3019 I C 2.716 178.892 176.117 0.098 0.000 1.119 3019 I CA 1.822 63.117 61.300 -0.008 0.000 1.384 3019 I CB -0.695 37.080 38.000 -0.376 0.000 1.062 3019 I HN 0.589 nan 8.210 nan 0.000 0.426 3020 H N 1.770 120.824 119.070 -0.026 0.000 2.317 3020 H HA -0.122 4.434 4.556 -0.001 0.000 0.304 3020 H C 1.976 177.270 175.328 -0.056 0.000 1.067 3020 H CA 1.779 57.816 56.048 -0.018 0.000 1.352 3020 H CB 0.089 29.808 29.762 -0.072 0.000 1.398 3020 H HN 0.523 nan 8.280 nan 0.000 0.510 3021 E N 0.268 120.525 120.200 0.095 0.000 2.409 3021 E HA -0.128 4.221 4.350 -0.001 0.000 0.198 3021 E C 2.116 178.721 176.600 0.008 0.000 1.024 3021 E CA 0.448 56.849 56.400 0.001 0.000 0.861 3021 E CB -0.071 29.673 29.700 0.072 0.000 0.788 3021 E HN 0.264 nan 8.360 nan 0.000 0.521 3022 R N -0.721 119.736 120.500 -0.072 0.000 2.308 3022 R HA 0.086 4.426 4.340 -0.001 0.000 0.202 3022 R C 0.100 176.005 176.300 -0.658 0.000 0.898 3022 R CA 0.271 56.152 56.100 -0.364 0.000 1.046 3022 R CB 0.522 30.510 30.300 -0.520 0.000 1.026 3022 R HN 0.218 nan 8.270 nan 0.000 0.512 3023 Y N -1.960 118.414 120.300 0.123 0.000 2.825 3023 Y HA 0.100 4.650 4.550 -0.001 0.000 0.259 3023 Y C 1.116 177.054 175.900 0.063 0.000 1.113 3023 Y CA -0.449 57.720 58.100 0.114 0.000 1.241 3023 Y CB 0.035 38.629 38.460 0.224 0.000 1.331 3023 Y HN 0.206 nan 8.280 nan 0.000 0.570 3024 H N -2.318 116.692 119.070 -0.100 0.000 2.470 3024 H HA 0.007 4.562 4.556 -0.001 0.000 0.289 3024 H C 1.929 177.219 175.328 -0.063 0.000 1.033 3024 H CA 1.203 57.142 56.048 -0.182 0.000 1.331 3024 H CB 0.049 29.515 29.762 -0.493 0.000 1.414 3024 H HN 0.110 nan 8.280 nan 0.000 0.545 3025 S N 0.911 116.261 115.700 -0.582 0.000 2.446 3025 S HA -0.064 4.406 4.470 -0.001 0.000 0.225 3025 S C 2.006 176.516 174.600 -0.151 0.000 1.016 3025 S CA 0.518 58.462 58.200 -0.427 0.000 0.943 3025 S CB -0.291 62.647 63.200 -0.437 0.000 0.786 3025 S HN 0.410 nan 8.310 nan 0.000 0.508 3026 V N -0.973 118.908 119.914 -0.056 0.000 3.174 3026 V HA 0.430 4.549 4.120 -0.001 0.000 0.254 3026 V C 0.699 176.818 176.094 0.042 0.000 1.120 3026 V CA 0.097 62.407 62.300 0.017 0.000 1.114 3026 V CB -0.828 31.039 31.823 0.074 0.000 0.756 3026 V HN 0.365 nan 8.190 nan 0.000 0.467 3027 L N 0.984 122.244 121.223 0.063 0.000 2.322 3027 L HA 0.468 4.807 4.340 -0.001 0.000 0.281 3027 L C 1.039 177.930 176.870 0.035 0.000 1.014 3027 L CA -0.529 54.346 54.840 0.058 0.000 0.815 3027 L CB 2.081 44.199 42.059 0.098 0.000 1.247 3027 L HN 0.027 nan 8.230 nan 0.000 0.421 3028 Q N 2.707 122.522 119.800 0.025 0.000 1.984 3028 Q HA 0.048 4.387 4.340 -0.001 0.000 0.196 3028 Q C -1.172 174.849 176.000 0.035 0.000 0.975 3028 Q CA 1.129 56.944 55.803 0.021 0.000 0.827 3028 Q CB -1.208 27.538 28.738 0.013 0.000 0.894 3028 Q HN 0.471 nan 8.270 nan 0.000 0.438 3029 P HA 0.146 nan 4.420 nan 0.000 0.218 3029 P C -0.850 176.487 177.300 0.062 0.000 1.793 3029 P CA -0.092 63.035 63.100 0.045 0.000 0.941 3029 P CB -0.533 31.188 31.700 0.035 0.000 1.919 3030 L N 1.465 122.733 121.223 0.075 0.000 2.312 3030 L HA 0.319 4.659 4.340 -0.001 0.000 0.287 3030 L C -0.372 176.560 176.870 0.102 0.000 1.091 3030 L CA 0.058 54.957 54.840 0.097 0.000 0.846 3030 L CB 0.028 42.151 42.059 0.106 0.000 1.219 3030 L HN -0.072 nan 8.230 nan 0.000 0.439 3031 D N 4.397 124.853 120.400 0.094 0.000 2.458 3031 D HA 0.362 5.001 4.640 -0.001 0.000 0.258 3031 D C -0.599 175.749 176.300 0.080 0.000 1.134 3031 D CA -0.295 53.761 54.000 0.093 0.000 0.915 3031 D CB 0.409 41.256 40.800 0.078 0.000 1.028 3031 D HN 0.313 nan 8.370 nan 0.000 0.508 3032 I N 2.471 123.097 120.570 0.094 0.000 2.474 3032 I HA 0.313 4.482 4.170 -0.001 0.000 0.287 3032 I C 0.365 176.524 176.117 0.071 0.000 1.048 3032 I CA -0.089 61.243 61.300 0.055 0.000 1.383 3032 I CB 1.060 39.095 38.000 0.060 0.000 1.412 3032 I HN 0.078 nan 8.210 nan 0.000 0.531 3033 K N 4.069 124.476 120.400 0.012 0.000 2.464 3033 K HA 0.696 5.016 4.320 -0.001 0.000 0.253 3033 K C -1.579 174.965 176.600 -0.095 0.000 0.933 3033 K CA -0.692 55.619 56.287 0.041 0.000 0.801 3033 K CB 2.597 35.082 32.500 -0.025 0.000 1.271 3033 K HN 0.229 nan 8.250 nan 0.000 0.430 3034 V N 3.694 123.610 119.914 0.003 0.000 2.357 3034 V HA 0.344 4.464 4.120 -0.001 0.000 0.284 3034 V C -1.202 174.959 176.094 0.110 0.000 1.018 3034 V CA -0.801 61.433 62.300 -0.111 0.000 0.841 3034 V CB 0.387 31.956 31.823 -0.424 0.000 0.991 3034 V HN 0.571 nan 8.190 nan 0.000 0.437 3035 Y N 3.077 123.428 120.300 0.085 0.000 2.328 3035 Y HA 0.817 5.367 4.550 -0.001 0.000 0.337 3035 Y C 0.402 176.264 175.900 -0.063 0.000 1.008 3035 Y CA -1.265 56.891 58.100 0.093 0.000 1.129 3035 Y CB 1.823 40.316 38.460 0.054 0.000 1.185 3035 Y HN 0.738 nan 8.280 nan 0.000 0.476 3036 A N 2.057 124.901 122.820 0.040 0.000 2.574 3036 A HA 0.432 4.752 4.320 -0.001 0.000 0.297 3036 A C -0.055 177.323 177.584 -0.343 0.000 1.062 3036 A CA -0.612 51.216 52.037 -0.349 0.000 0.686 3036 A CB 1.233 19.698 19.000 -0.892 0.000 1.285 3036 A HN 0.674 nan 8.150 nan 0.000 0.403 3037 D N 0.003 120.196 120.400 -0.344 0.000 2.305 3037 D HA 0.128 4.767 4.640 -0.001 0.000 0.206 3037 D C 0.582 176.722 176.300 -0.266 0.000 0.974 3037 D CA 1.064 54.909 54.000 -0.259 0.000 0.871 3037 D CB 0.203 40.828 40.800 -0.293 0.000 0.947 3037 D HN 0.512 nan 8.370 nan 0.000 0.516 3038 R N -0.889 119.363 120.500 -0.415 0.000 2.771 3038 R HA 0.517 4.856 4.340 -0.001 0.000 0.274 3038 R C -1.337 174.694 176.300 -0.448 0.000 0.987 3038 R CA -0.728 55.200 56.100 -0.287 0.000 0.908 3038 R CB 1.594 31.755 30.300 -0.232 0.000 1.213 3038 R HN -0.058 nan 8.270 nan 0.000 0.468 3039 F N -1.065 118.878 119.950 -0.013 0.000 2.922 3039 F HA 0.296 4.823 4.527 -0.001 0.000 0.345 3039 F C 1.448 177.266 175.800 0.031 0.000 1.209 3039 F CA -0.360 57.646 58.000 0.010 0.000 1.018 3039 F CB 0.904 39.922 39.000 0.030 0.000 1.472 3039 F HN 0.650 nan 8.300 nan 0.000 0.521 3040 T N 0.443 115.209 114.554 0.354 0.000 2.711 3040 T HA -0.256 4.093 4.350 -0.001 0.000 0.189 3040 T C -1.418 173.363 174.700 0.136 0.000 1.551 3040 T CA 2.439 64.659 62.100 0.201 0.000 0.989 3040 T CB -2.299 66.655 68.868 0.142 0.000 0.835 3040 T HN 0.488 nan 8.240 nan 0.000 0.499 3041 P HA 0.388 nan 4.420 nan 0.000 0.281 3041 P C 0.775 178.120 177.300 0.074 0.000 1.291 3041 P CA 0.252 63.402 63.100 0.084 0.000 0.906 3041 P CB 0.016 31.757 31.700 0.069 0.000 1.388 3042 L N 0.012 121.282 121.223 0.079 0.000 2.872 3042 L HA 0.265 4.604 4.340 -0.001 0.000 0.245 3042 L C 1.013 177.920 176.870 0.062 0.000 1.211 3042 L CA -0.094 54.782 54.840 0.061 0.000 1.013 3042 L CB -0.277 41.811 42.059 0.049 0.000 1.326 3042 L HN -0.061 nan 8.230 nan 0.000 0.525 3043 T N -5.276 109.323 114.554 0.075 0.000 2.897 3043 T HA 0.233 4.582 4.350 -0.001 0.000 0.278 3043 T C 1.141 175.919 174.700 0.130 0.000 0.981 3043 T CA -0.278 61.888 62.100 0.110 0.000 0.973 3043 T CB 1.672 70.589 68.868 0.082 0.000 1.092 3043 T HN -0.036 nan 8.240 nan 0.000 0.543 3044 T N 1.057 115.721 114.554 0.183 0.000 2.821 3044 T HA -0.059 4.291 4.350 -0.001 0.000 0.267 3044 T C 2.092 176.819 174.700 0.046 0.000 1.046 3044 T CA 1.807 63.967 62.100 0.099 0.000 1.139 3044 T CB -0.919 68.002 68.868 0.088 0.000 0.871 3044 T HN 0.827 nan 8.240 nan 0.000 0.454 3045 T N 2.250 116.840 114.554 0.060 0.000 2.802 3045 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 3045 T C 1.450 176.177 174.700 0.046 0.000 1.062 3045 T CA 1.215 63.340 62.100 0.042 0.000 1.133 3045 T CB -0.320 68.583 68.868 0.058 0.000 0.852 3045 T HN 0.459 nan 8.240 nan 0.000 0.485 3046 D N 0.507 120.940 120.400 0.055 0.000 2.289 3046 D HA 0.032 4.671 4.640 -0.001 0.000 0.207 3046 D C 1.835 178.157 176.300 0.036 0.000 0.966 3046 D CA 0.528 54.561 54.000 0.055 0.000 0.868 3046 D CB 0.161 40.998 40.800 0.063 0.000 0.943 3046 D HN 0.301 nan 8.370 nan 0.000 0.514 3047 V N 0.998 120.924 119.914 0.019 0.000 3.573 3047 V HA 0.113 4.232 4.120 -0.001 0.000 0.270 3047 V C 1.029 177.121 176.094 -0.003 0.000 1.221 3047 V CA 0.090 62.390 62.300 0.001 0.000 1.163 3047 V CB -0.545 31.258 31.823 -0.032 0.000 0.847 3047 V HN 0.055 nan 8.190 nan 0.000 0.468 3048 A N 0.256 123.071 122.820 -0.007 0.000 2.309 3048 A HA 0.712 5.032 4.320 -0.001 0.000 0.290 3048 A C 1.524 179.100 177.584 -0.012 0.000 1.206 3048 A CA 0.327 52.346 52.037 -0.030 0.000 0.850 3048 A CB 0.901 19.872 19.000 -0.049 0.000 1.118 3048 A HN 0.397 nan 8.150 nan 0.000 0.523 3049 A N 2.389 125.200 122.820 -0.015 0.000 1.940 3049 A HA 0.286 4.606 4.320 -0.001 0.000 0.219 3049 A C 1.903 179.474 177.584 -0.022 0.000 1.176 3049 A CA 1.959 53.999 52.037 0.005 0.000 0.631 3049 A CB -0.770 18.237 19.000 0.011 0.000 0.814 3049 A HN 2.610 nan 8.150 nan 0.000 0.446 3050 G N -2.586 106.172 108.800 -0.071 0.000 2.144 3050 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.218 3050 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.218 3050 G C 0.029 174.861 174.900 -0.114 0.000 0.988 3050 G CA 0.119 45.166 45.100 -0.088 0.000 0.659 3050 G HN 1.111 nan 8.290 nan 0.000 0.522 3051 L N 0.754 121.893 121.223 -0.141 0.000 2.462 3051 L HA 0.606 4.945 4.340 -0.001 0.000 0.272 3051 L C 0.571 177.376 176.870 -0.109 0.000 1.166 3051 L CA -1.080 53.661 54.840 -0.165 0.000 0.880 3051 L CB 0.221 42.114 42.059 -0.278 0.000 1.142 3051 L HN 0.229 nan 8.230 nan 0.000 0.473 3052 W N 7.400 128.595 121.300 -0.175 0.000 2.529 3052 W HA 0.402 5.061 4.660 -0.001 0.000 0.319 3052 W C -0.237 176.138 176.519 -0.239 0.000 1.362 3052 W CA 0.083 57.360 57.345 -0.113 0.000 1.348 3052 W CB 0.053 29.547 29.460 0.058 0.000 1.403 3052 W HN 0.662 nan 8.180 nan 0.000 0.519 3053 Q N 7.213 126.554 119.800 -0.766 0.000 2.520 3053 Q HA 0.188 4.527 4.340 -0.001 0.000 0.237 3053 Q C -2.559 172.868 176.000 -0.956 0.000 0.875 3053 Q CA -1.401 53.818 55.803 -0.974 0.000 1.028 3053 Q CB 1.768 30.201 28.738 -0.508 0.000 1.534 3053 Q HN 0.155 nan 8.270 nan 0.000 0.471 3054 P HA 0.172 nan 4.420 nan 0.000 0.289 3054 P C -0.966 176.114 177.300 -0.367 0.000 1.299 3054 P CA -0.305 62.279 63.100 -0.861 0.000 0.766 3054 P CB 0.369 31.604 31.700 -0.775 0.000 1.226 3055 Y N -0.811 119.337 120.300 -0.253 0.000 2.511 3055 Y HA 0.003 4.553 4.550 -0.001 0.000 0.347 3055 Y C 1.906 177.927 175.900 0.201 0.000 1.257 3055 Y CA 0.136 58.197 58.100 -0.064 0.000 1.469 3055 Y CB -0.754 37.623 38.460 -0.139 0.000 1.353 3055 Y HN 0.162 nan 8.280 nan 0.000 0.617 3056 L N 0.544 121.999 121.223 0.387 0.000 2.131 3056 L HA -0.031 4.309 4.340 -0.001 0.000 0.206 3056 L C 0.859 177.817 176.870 0.147 0.000 1.087 3056 L CA 0.820 55.867 54.840 0.345 0.000 0.767 3056 L CB -0.593 41.675 42.059 0.348 0.000 0.917 3056 L HN 0.523 nan 8.230 nan 0.000 0.441 3057 S N -0.290 115.473 115.700 0.105 0.000 2.439 3057 S HA 0.202 4.671 4.470 -0.001 0.000 0.282 3057 S C -0.250 174.376 174.600 0.044 0.000 1.170 3057 S CA -0.931 57.287 58.200 0.029 0.000 1.054 3057 S CB 0.586 63.771 63.200 -0.024 0.000 0.956 3057 S HN 0.090 nan 8.310 nan 0.000 0.490 3058 D N 3.684 124.086 120.400 0.002 0.000 2.949 3058 D HA 0.004 4.643 4.640 -0.001 0.000 0.208 3058 D C -2.105 174.203 176.300 0.014 0.000 1.104 3058 D CA 0.626 54.622 54.000 -0.007 0.000 0.801 3058 D CB 0.082 40.858 40.800 -0.039 0.000 1.182 3058 D HN 0.409 nan 8.370 nan 0.000 0.517 3059 P HA 0.022 nan 4.420 nan 0.000 0.265 3059 P C 0.211 177.509 177.300 -0.002 0.000 1.193 3059 P CA -0.159 62.938 63.100 -0.006 0.000 0.765 3059 P CB 0.611 32.276 31.700 -0.058 0.000 0.823 3060 N N 1.958 120.677 118.700 0.031 0.000 2.166 3060 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 3060 N C 0.339 175.843 175.510 -0.009 0.000 1.019 3060 N CA 1.129 54.191 53.050 0.021 0.000 0.856 3060 N CB -0.253 38.266 38.487 0.053 0.000 0.993 3060 N HN 0.377 nan 8.380 nan 0.000 0.426 3061 N N -0.213 118.470 118.700 -0.028 0.000 2.479 3061 N HA 0.259 4.998 4.740 -0.001 0.000 0.261 3061 N C -2.274 173.145 175.510 -0.151 0.000 0.979 3061 N CA -2.203 50.799 53.050 -0.080 0.000 0.930 3061 N CB 1.660 40.102 38.487 -0.075 0.000 1.172 3061 N HN -0.083 nan 8.380 nan 0.000 0.499 3062 P HA -0.202 nan 4.420 nan 0.000 0.222 3062 P C 0.641 177.780 177.300 -0.269 0.000 1.142 3062 P CA 1.219 64.222 63.100 -0.161 0.000 0.788 3062 P CB 0.447 32.075 31.700 -0.119 0.000 0.767 3063 Q N 0.029 119.593 119.800 -0.393 0.000 2.170 3063 Q HA -0.174 4.165 4.340 -0.001 0.000 0.203 3063 Q C 2.189 177.516 176.000 -1.122 0.000 0.976 3063 Q CA 1.254 56.616 55.803 -0.734 0.000 0.858 3063 Q CB -0.334 27.913 28.738 -0.818 0.000 0.907 3063 Q HN 0.462 nan 8.270 nan 0.000 0.433 3064 E N 0.248 119.993 120.200 -0.758 0.000 2.106 3064 E HA -0.168 4.182 4.350 -0.001 0.000 0.192 3064 E C 1.967 178.484 176.600 -0.139 0.000 0.984 3064 E CA 0.752 56.935 56.400 -0.361 0.000 0.806 3064 E CB -0.089 29.583 29.700 -0.046 0.000 0.750 3064 E HN 0.354 nan 8.360 nan 0.000 0.458 3065 A N 1.723 124.449 122.820 -0.156 0.000 1.940 3065 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 3065 A C 1.735 179.317 177.584 -0.003 0.000 1.176 3065 A CA 1.748 53.755 52.037 -0.051 0.000 0.631 3065 A CB -0.297 18.671 19.000 -0.054 0.000 0.814 3065 A HN 0.104 nan 8.150 nan 0.000 0.446 3066 D N -1.245 119.087 120.400 -0.114 0.000 2.117 3066 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 3066 D C 1.802 178.185 176.300 0.138 0.000 0.982 3066 D CA 0.860 54.834 54.000 -0.042 0.000 0.828 3066 D CB -0.296 40.410 40.800 -0.158 0.000 0.967 3066 D HN 0.648 nan 8.370 nan 0.000 0.464 3067 W N 1.529 122.891 121.300 0.103 0.000 2.358 3067 W HA -0.063 4.596 4.660 -0.001 0.000 0.303 3067 W C 2.575 179.212 176.519 0.197 0.000 1.208 3067 W CA 0.538 57.956 57.345 0.121 0.000 1.274 3067 W CB -1.369 28.152 29.460 0.103 0.000 1.138 3067 W HN -0.058 nan 8.180 nan 0.000 0.515 3068 S N -0.034 115.930 115.700 0.440 0.000 2.399 3068 S HA -0.238 4.231 4.470 -0.001 0.000 0.231 3068 S C 1.711 176.718 174.600 0.678 0.000 1.022 3068 S CA 1.753 60.248 58.200 0.491 0.000 0.983 3068 S CB -0.379 62.951 63.200 0.216 0.000 0.803 3068 S HN 0.261 nan 8.310 nan 0.000 0.480 3069 Q N 1.558 121.623 119.800 0.442 0.000 2.079 3069 Q HA -0.084 4.255 4.340 -0.001 0.000 0.200 3069 Q C 2.117 178.307 176.000 0.318 0.000 0.974 3069 Q CA 1.575 57.570 55.803 0.321 0.000 0.840 3069 Q CB -0.299 28.553 28.738 0.191 0.000 0.898 3069 Q HN 0.562 nan 8.270 nan 0.000 0.430 3070 Q N -0.877 119.119 119.800 0.327 0.000 2.050 3070 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 3070 Q C 2.116 178.350 176.000 0.391 0.000 0.980 3070 Q CA 1.992 57.990 55.803 0.325 0.000 0.840 3070 Q CB -0.157 28.766 28.738 0.309 0.000 0.898 3070 Q HN 0.434 nan 8.270 nan 0.000 0.424 3071 T N 0.914 115.724 114.554 0.426 0.000 2.622 3071 T HA -0.204 4.145 4.350 -0.001 0.000 0.266 3071 T C 1.399 176.292 174.700 0.322 0.000 1.047 3071 T CA 1.500 63.853 62.100 0.422 0.000 1.159 3071 T CB -0.562 68.564 68.868 0.431 0.000 0.863 3071 T HN 0.260 nan 8.240 nan 0.000 0.422 3072 F N 2.304 122.324 119.950 0.116 0.000 2.065 3072 F HA -0.204 4.322 4.527 -0.001 0.000 0.298 3072 F C 2.170 177.849 175.800 -0.202 0.000 1.112 3072 F CA 1.733 59.509 58.000 -0.373 0.000 1.212 3072 F CB -0.356 38.054 39.000 -0.983 0.000 0.975 3072 F HN 0.086 nan 8.300 nan 0.000 0.476 3073 D N -1.053 119.425 120.400 0.129 0.000 2.149 3073 D HA -0.254 4.386 4.640 -0.001 0.000 0.198 3073 D C 1.939 178.256 176.300 0.029 0.000 0.990 3073 D CA 1.637 55.683 54.000 0.077 0.000 0.839 3073 D CB -0.703 40.196 40.800 0.164 0.000 0.948 3073 D HN 0.503 nan 8.370 nan 0.000 0.460 3074 Y N 1.188 121.467 120.300 -0.034 0.000 2.263 3074 Y HA -0.063 4.487 4.550 -0.001 0.000 0.292 3074 Y C 2.059 177.845 175.900 -0.190 0.000 1.130 3074 Y CA 1.003 59.056 58.100 -0.077 0.000 1.179 3074 Y CB -0.298 38.087 38.460 -0.126 0.000 0.998 3074 Y HN -0.113 nan 8.280 nan 0.000 0.532 3075 L N -0.580 120.417 121.223 -0.377 0.000 2.007 3075 L HA -0.150 4.190 4.340 -0.001 0.000 0.205 3075 L C 2.427 179.021 176.870 -0.460 0.000 1.073 3075 L CA 1.209 55.731 54.840 -0.529 0.000 0.744 3075 L CB -0.900 40.911 42.059 -0.414 0.000 0.898 3075 L HN 0.299 nan 8.230 nan 0.000 0.435 3076 L N 0.253 121.141 121.223 -0.558 0.000 2.197 3076 L HA -0.250 4.089 4.340 -0.001 0.000 0.215 3076 L C 2.633 179.334 176.870 -0.281 0.000 1.095 3076 L CA 2.060 56.612 54.840 -0.481 0.000 0.764 3076 L CB -0.471 41.232 42.059 -0.594 0.000 0.897 3076 L HN 0.403 nan 8.230 nan 0.000 0.436 3077 S N -2.723 112.851 115.700 -0.211 0.000 2.515 3077 S HA -0.136 4.333 4.470 -0.001 0.000 0.231 3077 S C 1.318 175.763 174.600 -0.259 0.000 0.987 3077 S CA 1.104 59.210 58.200 -0.157 0.000 0.936 3077 S CB -0.626 62.549 63.200 -0.042 0.000 0.766 3077 S HN 0.705 nan 8.310 nan 0.000 0.528 3078 H N -0.981 117.898 119.070 -0.318 0.000 3.058 3078 H HA 0.405 4.961 4.556 -0.001 0.000 0.266 3078 H C 1.581 176.793 175.328 -0.193 0.000 1.135 3078 H CA 0.095 55.976 56.048 -0.278 0.000 1.174 3078 H CB 0.397 29.905 29.762 -0.424 0.000 1.581 3078 H HN 0.238 nan 8.280 nan 0.000 0.553 3079 V N 0.504 120.373 119.914 -0.074 0.000 2.660 3079 V HA -0.282 3.837 4.120 -0.001 0.000 0.257 3079 V C 0.980 177.187 176.094 0.189 0.000 1.088 3079 V CA 2.154 64.463 62.300 0.015 0.000 1.106 3079 V CB -0.186 31.635 31.823 -0.003 0.000 0.686 3079 V HN 0.528 nan 8.190 nan 0.000 0.481 3080 H N -1.111 117.893 119.070 -0.110 0.000 2.672 3080 H HA 0.426 4.981 4.556 -0.001 0.000 0.277 3080 H C 1.136 176.409 175.328 -0.092 0.000 1.074 3080 H CA -0.127 55.869 56.048 -0.087 0.000 1.173 3080 H CB 0.234 29.947 29.762 -0.081 0.000 1.558 3080 H HN 0.349 nan 8.280 nan 0.000 0.539 3081 S N 2.184 117.876 115.700 -0.013 0.000 2.585 3081 S HA 0.027 4.496 4.470 -0.001 0.000 0.273 3081 S C -1.027 173.557 174.600 -0.027 0.000 1.339 3081 S CA -0.944 57.231 58.200 -0.042 0.000 1.028 3081 S CB 1.175 64.348 63.200 -0.046 0.000 0.906 3081 S HN 0.277 nan 8.310 nan 0.000 0.528 3082 P HA -0.140 nan 4.420 nan 0.000 0.216 3082 P C 0.563 177.862 177.300 -0.003 0.000 1.150 3082 P CA 1.194 64.291 63.100 -0.005 0.000 0.837 3082 P CB -0.111 31.598 31.700 0.014 0.000 0.786 3083 N N 0.043 118.748 118.700 0.008 0.000 2.461 3083 N HA 0.040 4.780 4.740 -0.001 0.000 0.188 3083 N C 1.664 177.098 175.510 -0.125 0.000 1.134 3083 N CA 0.680 53.723 53.050 -0.012 0.000 0.878 3083 N CB -0.624 37.906 38.487 0.072 0.000 0.972 3083 N HN 0.070 nan 8.380 nan 0.000 0.456 3084 A N 1.833 124.590 122.820 -0.104 0.000 1.958 3084 A HA -0.253 4.066 4.320 -0.001 0.000 0.221 3084 A C 2.186 179.709 177.584 -0.101 0.000 1.178 3084 A CA 1.660 53.623 52.037 -0.123 0.000 0.642 3084 A CB -0.568 18.388 19.000 -0.073 0.000 0.816 3084 A HN 0.437 nan 8.150 nan 0.000 0.453 3085 E N -0.348 119.813 120.200 -0.066 0.000 2.051 3085 E HA -0.190 4.159 4.350 -0.001 0.000 0.189 3085 E C 1.689 178.274 176.600 -0.025 0.000 0.979 3085 E CA 1.162 57.540 56.400 -0.036 0.000 0.803 3085 E CB -0.157 29.524 29.700 -0.031 0.000 0.761 3085 E HN 0.637 nan 8.360 nan 0.000 0.451 3086 N N 0.830 119.515 118.700 -0.025 0.000 2.149 3086 N HA -0.172 4.567 4.740 -0.001 0.000 0.188 3086 N C 1.783 177.289 175.510 -0.007 0.000 1.019 3086 N CA 0.805 53.872 53.050 0.029 0.000 0.857 3086 N CB -0.399 38.166 38.487 0.129 0.000 0.997 3086 N HN 0.129 nan 8.380 nan 0.000 0.426 3087 L N -0.328 120.762 121.223 -0.221 0.000 2.191 3087 L HA 0.034 4.373 4.340 -0.001 0.000 0.212 3087 L C 1.426 178.293 176.870 -0.004 0.000 1.103 3087 L CA 1.435 56.123 54.840 -0.252 0.000 0.769 3087 L CB -0.726 41.028 42.059 -0.509 0.000 0.908 3087 L HN 0.433 nan 8.230 nan 0.000 0.438 3088 G N -0.649 108.148 108.800 -0.004 0.000 2.142 3088 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.225 3088 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.225 3088 G C 0.145 175.099 174.900 0.090 0.000 1.015 3088 G CA 0.011 45.154 45.100 0.073 0.000 0.716 3088 G HN 0.210 nan 8.290 nan 0.000 0.508 3089 L N 0.869 122.095 121.223 0.004 0.000 2.265 3089 L HA 0.778 5.118 4.340 -0.001 0.000 0.288 3089 L C 0.359 177.284 176.870 0.092 0.000 1.058 3089 L CA -1.016 53.786 54.840 -0.064 0.000 0.809 3089 L CB 0.360 42.307 42.059 -0.188 0.000 1.179 3089 L HN 0.325 nan 8.230 nan 0.000 0.429 3090 F N 3.416 123.315 119.950 -0.084 0.000 2.685 3090 F HA 0.561 5.087 4.527 -0.001 0.000 0.315 3090 F C -1.695 174.090 175.800 -0.026 0.000 1.126 3090 F CA -1.252 56.718 58.000 -0.050 0.000 0.950 3090 F CB 1.056 40.033 39.000 -0.038 0.000 1.360 3090 F HN 0.084 nan 8.300 nan 0.000 0.469 3091 L N 2.569 123.884 121.223 0.154 0.000 2.334 3091 L HA 0.636 4.975 4.340 -0.001 0.000 0.277 3091 L C -0.844 176.118 176.870 0.154 0.000 1.075 3091 L CA -0.903 53.980 54.840 0.073 0.000 0.804 3091 L CB 1.734 43.859 42.059 0.110 0.000 1.174 3091 L HN 0.786 nan 8.230 nan 0.000 0.438 3092 I N 1.690 122.318 120.570 0.097 0.000 2.627 3092 I HA 0.216 4.385 4.170 -0.001 0.000 0.288 3092 I C -0.678 175.517 176.117 0.129 0.000 1.202 3092 I CA 0.083 61.477 61.300 0.156 0.000 1.050 3092 I CB 1.975 40.101 38.000 0.211 0.000 1.264 3092 I HN 0.506 nan 8.210 nan 0.000 0.429 3093 S N 4.278 119.944 115.700 -0.056 0.000 2.617 3093 S HA 0.988 5.457 4.470 -0.001 0.000 0.283 3093 S C 0.031 174.036 174.600 -0.991 0.000 1.189 3093 S CA -0.197 57.792 58.200 -0.352 0.000 1.036 3093 S CB 1.765 64.903 63.200 -0.104 0.000 1.014 3093 S HN 0.958 nan 8.310 nan 0.000 0.522 3094 G N 0.319 107.956 108.800 -1.938 0.000 2.428 3094 G HA2 0.521 4.480 3.960 -0.001 0.000 0.304 3094 G HA3 0.521 4.480 3.960 -0.001 0.000 0.304 3094 G C -2.492 171.336 174.900 -1.786 0.000 1.303 3094 G CA -0.681 43.036 45.100 -2.305 0.000 0.825 3094 G HN 0.484 nan 8.290 nan 0.000 0.484 3095 Y N 0.481 120.327 120.300 -0.756 0.000 2.376 3095 Y HA 0.523 5.072 4.550 -0.001 0.000 0.340 3095 Y C 0.245 176.130 175.900 -0.025 0.000 0.965 3095 Y CA -1.177 56.754 58.100 -0.281 0.000 1.078 3095 Y CB 2.074 40.342 38.460 -0.320 0.000 1.193 3095 Y HN 0.263 nan 8.280 nan 0.000 0.452 3096 N N 4.419 123.225 118.700 0.177 0.000 2.444 3096 N HA 0.411 5.150 4.740 -0.001 0.000 0.262 3096 N C -1.273 174.020 175.510 -0.362 0.000 0.974 3096 N CA -0.387 52.642 53.050 -0.034 0.000 0.933 3096 N CB 1.632 40.183 38.487 0.106 0.000 1.137 3096 N HN 0.528 nan 8.380 nan 0.000 0.498 3097 L N 2.666 123.531 121.223 -0.596 0.000 2.325 3097 L HA 0.579 4.918 4.340 -0.001 0.000 0.279 3097 L C -0.610 175.860 176.870 -0.666 0.000 1.054 3097 L CA -0.548 53.913 54.840 -0.632 0.000 0.804 3097 L CB 0.617 42.051 42.059 -1.041 0.000 1.200 3097 L HN 0.322 nan 8.230 nan 0.000 0.436 3098 F N 0.047 120.025 119.950 0.047 0.000 2.588 3098 F HA 0.384 4.910 4.527 -0.001 0.000 0.314 3098 F C 1.090 177.038 175.800 0.246 0.000 1.069 3098 F CA -0.700 57.402 58.000 0.169 0.000 0.931 3098 F CB 1.357 40.446 39.000 0.148 0.000 1.260 3098 F HN 0.391 nan 8.300 nan 0.000 0.465 3099 H N -0.102 119.217 119.070 0.414 0.000 2.403 3099 H HA 0.135 4.691 4.556 -0.001 0.000 0.298 3099 H C -0.102 175.329 175.328 0.172 0.000 1.059 3099 H CA 1.132 57.277 56.048 0.160 0.000 1.363 3099 H CB 0.480 30.258 29.762 0.026 0.000 1.410 3099 H HN 0.436 nan 8.280 nan 0.000 0.528 3100 E N -0.539 119.839 120.200 0.297 0.000 2.416 3100 E HA 0.499 4.848 4.350 -0.001 0.000 0.273 3100 E C -0.493 176.050 176.600 -0.094 0.000 0.935 3100 E CA -0.990 55.473 56.400 0.105 0.000 0.784 3100 E CB 2.226 31.950 29.700 0.042 0.000 1.301 3100 E HN 0.112 nan 8.360 nan 0.000 0.454 3101 A N 1.628 124.216 122.820 -0.387 0.000 2.561 3101 A HA 0.322 4.642 4.320 -0.001 0.000 0.234 3101 A C 0.022 177.231 177.584 -0.624 0.000 1.055 3101 A CA 0.603 52.039 52.037 -1.001 0.000 0.756 3101 A CB -0.035 18.588 19.000 -0.629 0.000 0.986 3101 A HN 0.546 nan 8.150 nan 0.000 0.505 3102 I N 1.875 122.039 120.570 -0.677 0.000 2.918 3102 I HA 0.384 4.554 4.170 -0.001 0.000 0.301 3102 I C -2.407 173.643 176.117 -0.111 0.000 1.312 3102 I CA -2.287 58.827 61.300 -0.309 0.000 1.007 3102 I CB 2.603 40.351 38.000 -0.419 0.000 1.281 3102 I HN 0.475 nan 8.210 nan 0.000 0.440 3103 P HA 0.170 nan 4.420 nan 0.000 0.269 3103 P C -1.315 175.994 177.300 0.015 0.000 1.209 3103 P CA -0.190 62.890 63.100 -0.033 0.000 0.776 3103 P CB 0.300 31.960 31.700 -0.066 0.000 0.876 3104 D N 2.395 122.742 120.400 -0.087 0.000 2.364 3104 D HA 0.074 4.713 4.640 -0.001 0.000 0.236 3104 D C -1.849 174.093 176.300 -0.596 0.000 1.221 3104 D CA -0.427 53.345 54.000 -0.381 0.000 0.891 3104 D CB -0.626 39.923 40.800 -0.419 0.000 1.190 3104 D HN 0.308 nan 8.370 nan 0.000 0.449 3105 P HA 0.104 nan 4.420 nan 0.000 0.281 3105 P C 0.295 176.995 177.300 -1.001 0.000 1.264 3105 P CA -0.394 62.016 63.100 -1.150 0.000 0.824 3105 P CB 1.005 31.431 31.700 -2.122 0.000 1.092 3106 S N 0.307 115.598 115.700 -0.681 0.000 2.383 3106 S HA -0.106 4.363 4.470 -0.001 0.000 0.227 3106 S C 1.604 175.984 174.600 -0.368 0.000 1.026 3106 S CA 0.514 58.473 58.200 -0.402 0.000 0.981 3106 S CB -1.225 61.870 63.200 -0.176 0.000 0.818 3106 S HN 0.697 nan 8.310 nan 0.000 0.472 3107 W N 3.475 124.602 121.300 -0.288 0.000 3.077 3107 W HA 0.190 4.850 4.660 -0.001 0.000 0.245 3107 W C 1.385 177.654 176.519 -0.417 0.000 1.316 3107 W CA 0.397 57.595 57.345 -0.245 0.000 1.537 3107 W CB -0.746 28.670 29.460 -0.073 0.000 1.131 3107 W HN 0.503 nan 8.180 nan 0.000 0.695 3108 K N 1.104 121.008 120.400 -0.826 0.000 2.228 3108 K HA -0.243 4.076 4.320 -0.001 0.000 0.205 3108 K C 0.842 177.110 176.600 -0.554 0.000 1.045 3108 K CA 2.119 57.685 56.287 -1.202 0.000 0.931 3108 K CB -0.538 30.907 32.500 -1.758 0.000 0.727 3108 K HN -0.005 nan 8.250 nan 0.000 0.458 3109 D N 0.361 120.565 120.400 -0.328 0.000 2.354 3109 D HA 0.009 4.648 4.640 -0.001 0.000 0.209 3109 D C 1.284 177.504 176.300 -0.134 0.000 1.015 3109 D CA 0.703 54.601 54.000 -0.169 0.000 0.867 3109 D CB 0.379 41.099 40.800 -0.133 0.000 0.933 3109 D HN 0.292 nan 8.370 nan 0.000 0.520 3110 T N 0.961 115.410 114.554 -0.175 0.000 2.770 3110 T HA -0.041 4.308 4.350 -0.001 0.000 0.263 3110 T C 1.496 175.843 174.700 -0.588 0.000 1.039 3110 T CA 0.636 62.540 62.100 -0.326 0.000 1.142 3110 T CB -0.163 68.499 68.868 -0.344 0.000 0.868 3110 T HN 0.091 nan 8.240 nan 0.000 0.435 3111 V N 0.508 120.143 119.914 -0.465 0.000 3.376 3111 V HA 0.362 4.482 4.120 -0.001 0.000 0.303 3111 V C 0.183 176.296 176.094 0.031 0.000 1.100 3111 V CA -1.165 60.954 62.300 -0.302 0.000 1.126 3111 V CB -0.113 31.738 31.823 0.046 0.000 1.085 3111 V HN 0.054 nan 8.190 nan 0.000 0.480 3112 L N 2.161 123.512 121.223 0.213 0.000 2.334 3112 L HA 0.660 4.999 4.340 -0.001 0.000 0.277 3112 L C 1.373 178.395 176.870 0.253 0.000 1.075 3112 L CA 1.108 56.076 54.840 0.212 0.000 0.804 3112 L CB 0.475 42.662 42.059 0.213 0.000 1.174 3112 L HN 1.210 nan 8.230 nan 0.000 0.438 3113 G N 2.711 111.628 108.800 0.195 0.000 2.385 3113 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.284 3113 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.284 3113 G C 0.161 175.218 174.900 0.262 0.000 0.899 3113 G CA 0.271 45.486 45.100 0.191 0.000 1.204 3113 G HN 0.492 nan 8.290 nan 0.000 0.486 3114 F N 0.973 121.004 119.950 0.135 0.000 2.545 3114 F HA 0.550 5.076 4.527 -0.001 0.000 0.348 3114 F C 1.044 176.903 175.800 0.098 0.000 1.163 3114 F CA 0.600 58.680 58.000 0.134 0.000 1.331 3114 F CB 0.608 39.593 39.000 -0.026 0.000 1.138 3114 F HN 0.800 nan 8.300 nan 0.000 0.602 3115 R N 2.091 122.143 120.500 -0.746 0.000 2.832 3115 R HA 0.457 4.797 4.340 -0.001 0.000 0.283 3115 R C -2.155 173.869 176.300 -0.460 0.000 0.998 3115 R CA -1.397 54.460 56.100 -0.404 0.000 0.843 3115 R CB 0.558 30.779 30.300 -0.132 0.000 1.332 3115 R HN 0.413 nan 8.270 nan 0.000 0.490 3116 K N 0.814 121.111 120.400 -0.172 0.000 2.138 3116 K HA 0.452 4.772 4.320 -0.001 0.000 0.263 3116 K C -0.502 176.078 176.600 -0.033 0.000 0.965 3116 K CA -0.647 55.603 56.287 -0.061 0.000 0.868 3116 K CB 1.352 33.881 32.500 0.049 0.000 1.083 3116 K HN 0.405 nan 8.250 nan 0.000 0.443 3117 L N 2.716 123.930 121.223 -0.015 0.000 2.540 3117 L HA 0.021 4.360 4.340 -0.001 0.000 0.276 3117 L C 0.908 177.803 176.870 0.041 0.000 1.212 3117 L CA 0.102 54.969 54.840 0.045 0.000 0.893 3117 L CB 0.071 42.197 42.059 0.111 0.000 1.138 3117 L HN 0.804 nan 8.230 nan 0.000 0.491 3118 T N 0.220 114.793 114.554 0.030 0.000 2.849 3118 T HA 0.259 4.609 4.350 -0.001 0.000 0.284 3118 T C -1.768 172.968 174.700 0.059 0.000 1.004 3118 T CA -1.746 60.372 62.100 0.031 0.000 1.021 3118 T CB 1.480 70.344 68.868 -0.006 0.000 1.013 3118 T HN 0.335 nan 8.240 nan 0.000 0.527 3119 P HA -0.047 nan 4.420 nan 0.000 0.215 3119 P C 1.604 178.932 177.300 0.048 0.000 1.153 3119 P CA 1.117 64.254 63.100 0.062 0.000 0.853 3119 P CB 0.038 31.767 31.700 0.048 0.000 0.788 3120 R N -0.131 120.384 120.500 0.025 0.000 2.127 3120 R HA -0.136 4.204 4.340 -0.001 0.000 0.238 3120 R C 2.223 178.521 176.300 -0.002 0.000 1.134 3120 R CA 1.269 57.371 56.100 0.004 0.000 0.975 3120 R CB -0.501 29.794 30.300 -0.008 0.000 0.865 3120 R HN 0.409 nan 8.270 nan 0.000 0.447 3121 E N 0.646 120.868 120.200 0.037 0.000 2.047 3121 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 3121 E C 1.998 178.660 176.600 0.103 0.000 0.987 3121 E CA 0.941 57.392 56.400 0.086 0.000 0.799 3121 E CB -0.122 29.703 29.700 0.208 0.000 0.752 3121 E HN 0.300 nan 8.360 nan 0.000 0.449 3122 L N 1.566 122.881 121.223 0.154 0.000 2.265 3122 L HA -0.157 4.182 4.340 -0.001 0.000 0.215 3122 L C 1.730 178.673 176.870 0.121 0.000 1.117 3122 L CA 0.664 55.631 54.840 0.212 0.000 0.782 3122 L CB -0.293 41.879 42.059 0.188 0.000 0.914 3122 L HN 0.017 nan 8.230 nan 0.000 0.441 3123 D N -0.098 120.318 120.400 0.026 0.000 2.264 3123 D HA -0.135 4.504 4.640 -0.001 0.000 0.208 3123 D C 2.203 178.421 176.300 -0.136 0.000 0.966 3123 D CA 1.091 55.075 54.000 -0.027 0.000 0.864 3123 D CB -0.003 40.780 40.800 -0.029 0.000 0.933 3123 D HN 0.404 nan 8.370 nan 0.000 0.499 3124 M N -0.524 118.888 119.600 -0.313 0.000 2.476 3124 M HA -0.038 4.441 4.480 -0.001 0.000 0.262 3124 M C -0.166 175.596 176.300 -0.897 0.000 1.079 3124 M CA 0.814 55.700 55.300 -0.690 0.000 1.104 3124 M CB 0.148 32.100 32.600 -1.079 0.000 1.409 3124 M HN -0.139 nan 8.290 nan 0.000 0.467 3125 F N -1.294 118.638 119.950 -0.029 0.000 2.686 3125 F HA 0.351 4.877 4.527 -0.001 0.000 0.365 3125 F C -1.965 173.885 175.800 0.084 0.000 1.196 3125 F CA -2.380 55.627 58.000 0.011 0.000 1.198 3125 F CB 0.003 38.988 39.000 -0.024 0.000 1.454 3125 F HN -0.192 nan 8.300 nan 0.000 0.539 3126 P HA -0.189 nan 4.420 nan 0.000 0.217 3126 P C 0.898 178.288 177.300 0.149 0.000 1.151 3126 P CA 1.560 64.736 63.100 0.127 0.000 0.849 3126 P CB 0.329 32.074 31.700 0.075 0.000 0.787 3127 D N -3.239 117.281 120.400 0.200 0.000 2.355 3127 D HA 0.006 4.646 4.640 -0.001 0.000 0.218 3127 D C 0.015 176.235 176.300 -0.132 0.000 1.004 3127 D CA 0.728 54.769 54.000 0.069 0.000 0.880 3127 D CB -0.168 40.674 40.800 0.070 0.000 0.911 3127 D HN 0.259 nan 8.370 nan 0.000 0.528 3128 Y N -1.470 118.907 120.300 0.127 0.000 2.442 3128 Y HA 0.525 5.074 4.550 -0.001 0.000 0.344 3128 Y C 1.251 177.242 175.900 0.151 0.000 0.976 3128 Y CA -0.971 57.181 58.100 0.086 0.000 1.040 3128 Y CB 2.615 41.038 38.460 -0.062 0.000 1.228 3128 Y HN -0.205 nan 8.280 nan 0.000 0.451 3129 G N 0.877 109.860 108.800 0.304 0.000 3.062 3129 G HA2 0.117 4.077 3.960 -0.001 0.000 0.228 3129 G HA3 0.117 4.077 3.960 -0.001 0.000 0.228 3129 G C -1.000 174.102 174.900 0.338 0.000 1.094 3129 G CA 0.261 45.522 45.100 0.268 0.000 0.782 3129 G HN 0.525 nan 8.290 nan 0.000 0.541 3130 Y N -0.664 119.767 120.300 0.219 0.000 2.592 3130 Y HA 0.571 5.120 4.550 -0.001 0.000 0.334 3130 Y C -0.278 175.771 175.900 0.250 0.000 1.136 3130 Y CA -0.300 57.919 58.100 0.199 0.000 1.042 3130 Y CB 1.568 40.115 38.460 0.146 0.000 1.325 3130 Y HN 0.345 nan 8.280 nan 0.000 0.457 3131 G N 1.532 109.953 108.800 -0.633 0.000 2.328 3131 G HA2 0.339 4.298 3.960 -0.001 0.000 0.295 3131 G HA3 0.339 4.298 3.960 -0.001 0.000 0.295 3131 G C -2.164 172.556 174.900 -0.300 0.000 1.413 3131 G CA -1.000 43.870 45.100 -0.383 0.000 0.817 3131 G HN 0.552 nan 8.290 nan 0.000 0.546 3132 W N -0.932 120.393 121.300 0.042 0.000 2.492 3132 W HA 0.841 5.500 4.660 -0.001 0.000 0.373 3132 W C -0.675 175.867 176.519 0.038 0.000 1.323 3132 W CA -1.572 55.744 57.345 -0.049 0.000 1.406 3132 W CB 0.898 30.419 29.460 0.101 0.000 1.398 3132 W HN 0.428 nan 8.180 nan 0.000 0.671 3133 F N 2.433 122.395 119.950 0.021 0.000 2.722 3133 F HA 0.250 4.776 4.527 -0.001 0.000 0.336 3133 F C -0.449 175.359 175.800 0.013 0.000 1.216 3133 F CA -0.491 57.443 58.000 -0.109 0.000 1.065 3133 F CB 0.782 39.621 39.000 -0.268 0.000 1.325 3133 F HN 0.391 nan 8.300 nan 0.000 0.524 3134 H N 1.679 120.761 119.070 0.020 0.000 3.008 3134 H HA 0.473 5.028 4.556 -0.001 0.000 0.354 3134 H C -1.694 173.723 175.328 0.147 0.000 1.252 3134 H CA -1.018 55.171 56.048 0.235 0.000 1.117 3134 H CB 1.653 31.696 29.762 0.468 0.000 1.857 3134 H HN 0.337 nan 8.280 nan 0.000 0.547 3135 T N 1.670 116.396 114.554 0.286 0.000 2.744 3135 T HA 0.344 4.693 4.350 -0.001 0.000 0.291 3135 T C 0.206 175.140 174.700 0.389 0.000 0.957 3135 T CA -0.147 62.087 62.100 0.224 0.000 1.002 3135 T CB 1.046 70.039 68.868 0.207 0.000 0.919 3135 T HN 0.597 nan 8.240 nan 0.000 0.468 3136 S N 2.732 118.661 115.700 0.383 0.000 2.855 3136 S HA 0.844 5.313 4.470 -0.001 0.000 0.308 3136 S C -1.119 173.616 174.600 0.224 0.000 1.077 3136 S CA -0.768 57.705 58.200 0.456 0.000 0.896 3136 S CB 0.555 64.054 63.200 0.498 0.000 1.339 3136 S HN 0.541 nan 8.310 nan 0.000 0.602 3137 L N 1.324 122.639 121.223 0.153 0.000 2.341 3137 L HA 0.659 4.998 4.340 -0.001 0.000 0.267 3137 L C -0.996 175.761 176.870 -0.189 0.000 1.009 3137 L CA -0.630 54.137 54.840 -0.122 0.000 0.819 3137 L CB 1.764 43.662 42.059 -0.268 0.000 1.323 3137 L HN 0.529 nan 8.230 nan 0.000 0.425 3138 I N 2.657 122.923 120.570 -0.507 0.000 2.433 3138 I HA 0.358 4.527 4.170 -0.001 0.000 0.292 3138 I C -1.096 174.771 176.117 -0.417 0.000 1.001 3138 I CA -0.584 60.399 61.300 -0.528 0.000 1.119 3138 I CB 2.366 39.847 38.000 -0.865 0.000 1.289 3138 I HN 0.335 nan 8.210 nan 0.000 0.438 3139 L N 6.702 127.779 121.223 -0.244 0.000 2.433 3139 L HA 0.367 4.707 4.340 -0.001 0.000 0.256 3139 L C -0.267 176.528 176.870 -0.126 0.000 1.063 3139 L CA -0.120 54.581 54.840 -0.232 0.000 0.922 3139 L CB 0.733 42.563 42.059 -0.381 0.000 1.238 3139 L HN 0.467 nan 8.230 nan 0.000 0.466 3140 E N 2.575 122.770 120.200 -0.009 0.000 2.480 3140 E HA 0.052 4.401 4.350 -0.001 0.000 0.258 3140 E C 1.087 177.733 176.600 0.077 0.000 0.984 3140 E CA 0.554 56.986 56.400 0.054 0.000 0.930 3140 E CB 0.837 30.605 29.700 0.115 0.000 0.936 3140 E HN 0.806 nan 8.360 nan 0.000 0.466 3141 G N 4.111 112.950 108.800 0.066 0.000 2.513 3141 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.219 3141 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.219 3141 G C 1.412 176.397 174.900 0.142 0.000 1.160 3141 G CA 0.957 46.119 45.100 0.104 0.000 0.767 3141 G HN 0.463 nan 8.290 nan 0.000 0.571 3142 K N 0.142 120.609 120.400 0.112 0.000 2.002 3142 K HA -0.112 4.207 4.320 -0.001 0.000 0.209 3142 K C 2.542 179.218 176.600 0.127 0.000 1.048 3142 K CA 1.530 57.881 56.287 0.107 0.000 0.930 3142 K CB -0.198 32.352 32.500 0.083 0.000 0.714 3142 K HN 0.267 nan 8.250 nan 0.000 0.438 3143 N N -0.316 118.464 118.700 0.133 0.000 2.069 3143 N HA -0.206 4.533 4.740 -0.001 0.000 0.191 3143 N C 1.584 177.226 175.510 0.220 0.000 1.031 3143 N CA 1.382 54.522 53.050 0.150 0.000 0.852 3143 N CB -0.406 38.156 38.487 0.125 0.000 1.018 3143 N HN 0.194 nan 8.380 nan 0.000 0.423 3144 Y N 0.798 121.144 120.300 0.078 0.000 2.151 3144 Y HA -0.139 4.411 4.550 -0.001 0.000 0.284 3144 Y C 1.878 177.895 175.900 0.195 0.000 1.166 3144 Y CA 1.131 59.294 58.100 0.106 0.000 1.163 3144 Y CB -0.441 38.019 38.460 0.001 0.000 0.974 3144 Y HN 0.025 nan 8.280 nan 0.000 0.511 3145 L N -0.000 121.305 121.223 0.136 0.000 2.093 3145 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 3145 L C 2.438 179.356 176.870 0.080 0.000 1.085 3145 L CA 1.801 56.685 54.840 0.074 0.000 0.755 3145 L CB -1.333 40.795 42.059 0.115 0.000 0.904 3145 L HN 0.258 nan 8.230 nan 0.000 0.435 3146 Q N -1.572 118.294 119.800 0.110 0.000 2.084 3146 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 3146 Q C 2.122 178.168 176.000 0.076 0.000 0.978 3146 Q CA 1.843 57.700 55.803 0.089 0.000 0.844 3146 Q CB -0.636 28.160 28.738 0.097 0.000 0.898 3146 Q HN 0.533 nan 8.270 nan 0.000 0.426 3147 W N -0.155 121.098 121.300 -0.078 0.000 2.388 3147 W HA -0.054 4.605 4.660 -0.001 0.000 0.294 3147 W C 1.378 177.807 176.519 -0.150 0.000 1.212 3147 W CA 1.235 58.517 57.345 -0.105 0.000 1.271 3147 W CB -0.148 29.259 29.460 -0.088 0.000 1.126 3147 W HN 0.198 nan 8.180 nan 0.000 0.535 3148 L N -0.108 120.991 121.223 -0.206 0.000 2.005 3148 L HA -0.243 4.096 4.340 -0.001 0.000 0.207 3148 L C 2.548 179.246 176.870 -0.287 0.000 1.072 3148 L CA 1.975 56.596 54.840 -0.364 0.000 0.744 3148 L CB -1.468 40.483 42.059 -0.180 0.000 0.895 3148 L HN -0.122 nan 8.230 nan 0.000 0.433 3149 T N -0.836 113.650 114.554 -0.114 0.000 2.620 3149 T HA -0.299 4.051 4.350 -0.001 0.000 0.267 3149 T C 1.727 176.233 174.700 -0.322 0.000 1.044 3149 T CA 1.766 63.789 62.100 -0.129 0.000 1.161 3149 T CB -0.322 68.526 68.868 -0.034 0.000 0.862 3149 T HN 0.355 nan 8.240 nan 0.000 0.438 3150 E N 0.370 120.386 120.200 -0.307 0.000 2.048 3150 E HA -0.226 4.124 4.350 -0.001 0.000 0.202 3150 E C 2.638 178.997 176.600 -0.401 0.000 1.021 3150 E CA 1.372 57.575 56.400 -0.329 0.000 0.825 3150 E CB -0.081 29.436 29.700 -0.304 0.000 0.756 3150 E HN 0.173 nan 8.360 nan 0.000 0.454 3151 R N 0.266 120.431 120.500 -0.559 0.000 2.097 3151 R HA -0.172 4.167 4.340 -0.001 0.000 0.236 3151 R C 2.321 178.378 176.300 -0.404 0.000 1.135 3151 R CA 1.055 56.833 56.100 -0.537 0.000 0.934 3151 R CB -0.975 28.874 30.300 -0.752 0.000 0.846 3151 R HN 0.138 nan 8.270 nan 0.000 0.431 3152 L N 0.121 121.127 121.223 -0.362 0.000 1.990 3152 L HA -0.219 4.120 4.340 -0.001 0.000 0.213 3152 L C 2.188 178.840 176.870 -0.362 0.000 1.072 3152 L CA 2.178 56.838 54.840 -0.300 0.000 0.755 3152 L CB -1.483 40.521 42.059 -0.092 0.000 0.889 3152 L HN 0.299 nan 8.230 nan 0.000 0.432 3153 T N -0.229 114.054 114.554 -0.452 0.000 2.652 3153 T HA -0.242 4.107 4.350 -0.001 0.000 0.267 3153 T C 1.513 176.030 174.700 -0.306 0.000 1.039 3153 T CA 1.540 63.370 62.100 -0.449 0.000 1.153 3153 T CB -0.376 68.199 68.868 -0.488 0.000 0.863 3153 T HN 0.631 nan 8.240 nan 0.000 0.428 3154 E N 1.220 121.253 120.200 -0.279 0.000 2.510 3154 E HA -0.123 4.227 4.350 -0.001 0.000 0.202 3154 E C 1.641 178.124 176.600 -0.195 0.000 1.072 3154 E CA 0.742 57.017 56.400 -0.208 0.000 0.883 3154 E CB -0.149 29.438 29.700 -0.189 0.000 0.818 3154 E HN 0.416 nan 8.360 nan 0.000 0.548 3155 R N -0.667 119.674 120.500 -0.264 0.000 2.437 3155 R HA 0.224 4.563 4.340 -0.001 0.000 0.257 3155 R C 0.975 177.160 176.300 -0.192 0.000 0.927 3155 R CA 0.376 56.296 56.100 -0.299 0.000 1.078 3155 R CB 1.173 31.065 30.300 -0.680 0.000 1.161 3155 R HN 0.283 nan 8.270 nan 0.000 0.529 3156 G N 0.751 109.455 108.800 -0.160 0.000 2.157 3156 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.239 3156 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.239 3156 G C 0.080 174.948 174.900 -0.053 0.000 0.982 3156 G CA -0.083 44.972 45.100 -0.074 0.000 0.650 3156 G HN 0.105 nan 8.290 nan 0.000 0.527 3157 V N 1.895 121.746 119.914 -0.106 0.000 2.403 3157 V HA 0.235 4.355 4.120 -0.001 0.000 0.265 3157 V C 1.054 177.143 176.094 -0.009 0.000 1.034 3157 V CA 0.162 62.458 62.300 -0.007 0.000 1.036 3157 V CB 0.705 32.544 31.823 0.025 0.000 1.032 3157 V HN 0.320 nan 8.190 nan 0.000 0.478 3158 K N 4.720 125.148 120.400 0.047 0.000 2.185 3158 K HA 0.510 4.830 4.320 -0.001 0.000 0.271 3158 K C -0.646 175.988 176.600 0.057 0.000 1.013 3158 K CA -0.122 56.103 56.287 -0.103 0.000 0.943 3158 K CB 0.989 33.410 32.500 -0.131 0.000 0.998 3158 K HN 0.512 nan 8.250 nan 0.000 0.468 3159 F N 2.660 122.251 119.950 -0.598 0.000 2.458 3159 F HA 0.423 4.949 4.527 -0.001 0.000 0.336 3159 F C -0.364 175.044 175.800 -0.653 0.000 1.114 3159 F CA -1.179 56.579 58.000 -0.402 0.000 0.987 3159 F CB 1.124 39.904 39.000 -0.366 0.000 1.130 3159 F HN 0.319 nan 8.300 nan 0.000 0.458 3160 F N 1.474 121.645 119.950 0.368 0.000 2.565 3160 F HA 0.322 4.848 4.527 -0.001 0.000 0.313 3160 F C -0.282 175.727 175.800 0.347 0.000 1.091 3160 F CA -0.976 57.209 58.000 0.308 0.000 0.915 3160 F CB 1.629 40.846 39.000 0.363 0.000 1.208 3160 F HN 0.277 nan 8.300 nan 0.000 0.453 3161 Q N 4.766 124.805 119.800 0.398 0.000 2.331 3161 Q HA 0.579 4.918 4.340 -0.001 0.000 0.257 3161 Q C -0.860 175.235 176.000 0.158 0.000 0.957 3161 Q CA -0.391 55.637 55.803 0.375 0.000 0.923 3161 Q CB 1.309 30.244 28.738 0.328 0.000 1.212 3161 Q HN 1.015 nan 8.270 nan 0.000 0.443 3162 R N 1.607 122.146 120.500 0.065 0.000 2.728 3162 R HA 0.392 4.732 4.340 -0.001 0.000 0.274 3162 R C -1.554 174.682 176.300 -0.106 0.000 1.032 3162 R CA -1.009 55.050 56.100 -0.069 0.000 0.866 3162 R CB 0.940 31.122 30.300 -0.196 0.000 1.263 3162 R HN 0.276 nan 8.270 nan 0.000 0.475 3163 K N 2.015 122.337 120.400 -0.131 0.000 2.347 3163 K HA 0.268 4.587 4.320 -0.001 0.000 0.262 3163 K C -0.736 175.779 176.600 -0.142 0.000 1.052 3163 K CA -0.641 55.561 56.287 -0.142 0.000 0.946 3163 K CB 1.593 34.006 32.500 -0.145 0.000 1.220 3163 K HN 0.444 nan 8.250 nan 0.000 0.450 3164 V N 4.703 124.541 119.914 -0.126 0.000 2.540 3164 V HA -0.039 4.081 4.120 -0.001 0.000 0.297 3164 V C 1.138 177.145 176.094 -0.145 0.000 1.024 3164 V CA 0.484 62.715 62.300 -0.115 0.000 1.105 3164 V CB 0.972 32.766 31.823 -0.048 0.000 0.938 3164 V HN 0.843 nan 8.190 nan 0.000 0.482 3165 E N 2.418 122.536 120.200 -0.137 0.000 2.364 3165 E HA 0.098 4.447 4.350 -0.001 0.000 0.196 3165 E C 0.682 177.184 176.600 -0.164 0.000 0.990 3165 E CA 0.615 56.932 56.400 -0.139 0.000 0.886 3165 E CB 0.883 30.519 29.700 -0.107 0.000 0.866 3165 E HN 0.822 nan 8.360 nan 0.000 0.493 3166 S N -1.383 114.216 115.700 -0.168 0.000 2.567 3166 S HA 0.256 4.725 4.470 -0.001 0.000 0.270 3166 S C 0.128 174.643 174.600 -0.142 0.000 1.152 3166 S CA -0.703 57.378 58.200 -0.199 0.000 0.835 3166 S CB 0.025 63.176 63.200 -0.081 0.000 1.115 3166 S HN -0.126 nan 8.310 nan 0.000 0.459 3167 F N 1.820 121.784 119.950 0.023 0.000 2.269 3167 F HA 0.009 4.535 4.527 -0.001 0.000 0.301 3167 F C 2.504 178.318 175.800 0.023 0.000 1.082 3167 F CA 1.385 59.402 58.000 0.028 0.000 1.360 3167 F CB -0.504 38.519 39.000 0.039 0.000 1.041 3167 F HN 0.646 nan 8.300 nan 0.000 0.512 3168 E N 0.477 120.779 120.200 0.171 0.000 2.047 3168 E HA -0.238 4.112 4.350 -0.001 0.000 0.191 3168 E C 2.080 178.721 176.600 0.069 0.000 0.987 3168 E CA 1.190 57.653 56.400 0.105 0.000 0.799 3168 E CB -0.960 28.780 29.700 0.068 0.000 0.752 3168 E HN 0.587 nan 8.360 nan 0.000 0.449 3169 E N 1.532 121.756 120.200 0.040 0.000 2.049 3169 E HA -0.193 4.157 4.350 -0.001 0.000 0.198 3169 E C 2.191 178.816 176.600 0.042 0.000 1.007 3169 E CA 1.892 58.302 56.400 0.017 0.000 0.809 3169 E CB 0.042 29.730 29.700 -0.021 0.000 0.749 3169 E HN 0.070 nan 8.360 nan 0.000 0.450 3170 V N 1.404 121.368 119.914 0.083 0.000 2.343 3170 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 3170 V C 2.606 178.761 176.094 0.102 0.000 1.051 3170 V CA 1.900 64.278 62.300 0.130 0.000 1.036 3170 V CB -0.925 31.013 31.823 0.192 0.000 0.654 3170 V HN 0.496 nan 8.190 nan 0.000 0.451 3171 A N -0.234 122.643 122.820 0.094 0.000 1.902 3171 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 3171 A C 2.356 179.967 177.584 0.046 0.000 1.181 3171 A CA 1.720 53.796 52.037 0.066 0.000 0.623 3171 A CB -0.565 18.475 19.000 0.067 0.000 0.818 3171 A HN 0.469 nan 8.150 nan 0.000 0.443 3172 R N 0.345 120.870 120.500 0.041 0.000 2.154 3172 R HA -0.184 4.155 4.340 -0.001 0.000 0.248 3172 R C 0.911 177.223 176.300 0.020 0.000 1.155 3172 R CA 1.620 57.735 56.100 0.025 0.000 0.979 3172 R CB -0.283 30.027 30.300 0.017 0.000 0.869 3172 R HN 0.856 nan 8.270 nan 0.000 0.452 3173 E N -0.317 119.899 120.200 0.027 0.000 2.349 3173 E HA 0.175 4.525 4.350 -0.001 0.000 0.201 3173 E C 0.134 176.749 176.600 0.025 0.000 1.087 3173 E CA 0.214 56.627 56.400 0.021 0.000 1.128 3173 E CB 0.546 30.257 29.700 0.018 0.000 1.188 3173 E HN 0.287 nan 8.360 nan 0.000 0.445 3174 G N 0.770 109.584 108.800 0.024 0.000 2.289 3174 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.280 3174 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.280 3174 G C 0.120 175.034 174.900 0.023 0.000 1.089 3174 G CA -0.016 45.097 45.100 0.021 0.000 0.939 3174 G HN 0.639 nan 8.290 nan 0.000 0.499 3175 A N -0.308 122.529 122.820 0.029 0.000 2.274 3175 A HA 0.690 5.009 4.320 -0.001 0.000 0.309 3175 A C 0.983 178.581 177.584 0.025 0.000 1.226 3175 A CA 0.284 52.338 52.037 0.028 0.000 0.853 3175 A CB 0.653 19.675 19.000 0.036 0.000 1.146 3175 A HN 0.178 nan 8.150 nan 0.000 0.518 3176 D N 1.157 121.574 120.400 0.028 0.000 2.149 3176 D HA 0.085 4.724 4.640 -0.001 0.000 0.206 3176 D C 0.234 176.550 176.300 0.026 0.000 0.967 3176 D CA 1.389 55.402 54.000 0.022 0.000 0.848 3176 D CB 0.017 40.831 40.800 0.023 0.000 0.998 3176 D HN 0.259 nan 8.370 nan 0.000 0.474 3177 V N 1.348 121.300 119.914 0.064 0.000 2.588 3177 V HA 0.346 4.465 4.120 -0.001 0.000 0.304 3177 V C -0.367 175.747 176.094 0.033 0.000 1.042 3177 V CA -0.701 61.645 62.300 0.076 0.000 0.877 3177 V CB 2.496 34.463 31.823 0.240 0.000 0.996 3177 V HN -0.046 nan 8.190 nan 0.000 0.425 3178 I N 5.016 125.577 120.570 -0.016 0.000 2.330 3178 I HA 0.333 4.502 4.170 -0.001 0.000 0.286 3178 I C -0.313 175.757 176.117 -0.080 0.000 1.025 3178 I CA -0.670 60.609 61.300 -0.034 0.000 1.197 3178 I CB 1.654 39.643 38.000 -0.018 0.000 1.358 3178 I HN 0.312 nan 8.210 nan 0.000 0.467 3179 V N 5.274 125.155 119.914 -0.055 0.000 2.389 3179 V HA 0.132 4.251 4.120 -0.001 0.000 0.264 3179 V C 0.347 176.432 176.094 -0.016 0.000 1.049 3179 V CA -0.523 61.741 62.300 -0.060 0.000 0.932 3179 V CB 0.762 32.540 31.823 -0.074 0.000 1.011 3179 V HN 0.640 nan 8.190 nan 0.000 0.475 3180 N N 4.294 122.982 118.700 -0.021 0.000 2.521 3180 N HA 0.229 4.968 4.740 -0.001 0.000 0.236 3180 N C -0.439 175.188 175.510 0.195 0.000 1.067 3180 N CA -0.314 52.805 53.050 0.114 0.000 0.939 3180 N CB 0.402 38.953 38.487 0.107 0.000 1.201 3180 N HN 0.709 nan 8.380 nan 0.000 0.511 3181 C N 2.479 121.867 119.300 0.146 0.000 2.987 3181 C HA 0.250 4.709 4.460 -0.001 0.000 0.262 3181 C C 1.448 176.523 174.990 0.141 0.000 1.531 3181 C CA -0.621 58.487 59.018 0.150 0.000 1.571 3181 C CB -1.427 26.355 27.740 0.070 0.000 2.381 3181 C HN 0.753 nan 8.230 nan 0.000 0.519 3182 T N -2.060 112.594 114.554 0.167 0.000 3.163 3182 T HA 0.425 4.774 4.350 -0.001 0.000 0.252 3182 T C 1.346 176.185 174.700 0.232 0.000 1.056 3182 T CA 0.642 62.836 62.100 0.157 0.000 0.947 3182 T CB 0.170 69.097 68.868 0.098 0.000 1.016 3182 T HN 0.949 nan 8.240 nan 0.000 0.554 3183 G N 1.602 110.529 108.800 0.211 0.000 2.594 3183 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.297 3183 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.297 3183 G C 0.962 175.892 174.900 0.051 0.000 1.273 3183 G CA 0.285 45.490 45.100 0.176 0.000 0.974 3183 G HN 0.695 nan 8.290 nan 0.000 0.552 3184 V N 0.430 120.245 119.914 -0.165 0.000 2.688 3184 V HA -0.068 4.051 4.120 -0.001 0.000 0.256 3184 V C 2.203 178.166 176.094 -0.218 0.000 1.084 3184 V CA 2.750 64.855 62.300 -0.325 0.000 1.103 3184 V CB -0.470 30.940 31.823 -0.689 0.000 0.688 3184 V HN 0.596 nan 8.190 nan 0.000 0.480 3185 W N -0.749 120.611 121.300 0.100 0.000 3.139 3185 W HA 0.248 4.908 4.660 -0.001 0.000 0.260 3185 W C 2.389 178.853 176.519 -0.092 0.000 1.312 3185 W CA 0.415 57.776 57.345 0.028 0.000 1.606 3185 W CB -0.778 28.678 29.460 -0.006 0.000 1.118 3185 W HN 0.438 nan 8.180 nan 0.000 0.675 3186 A N 1.372 124.172 122.820 -0.034 0.000 1.971 3186 A HA -0.216 4.103 4.320 -0.001 0.000 0.222 3186 A C 2.370 179.838 177.584 -0.193 0.000 1.182 3186 A CA 2.437 54.303 52.037 -0.286 0.000 0.649 3186 A CB -1.377 16.988 19.000 -1.058 0.000 0.818 3186 A HN 0.286 nan 8.150 nan 0.000 0.458 3187 G N -0.761 107.973 108.800 -0.110 0.000 2.475 3187 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.220 3187 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.220 3187 G C 1.649 176.520 174.900 -0.049 0.000 1.125 3187 G CA 1.459 46.535 45.100 -0.041 0.000 0.755 3187 G HN 0.962 nan 8.290 nan 0.000 0.565 3188 A N 0.063 122.846 122.820 -0.060 0.000 2.015 3188 A HA 0.214 4.534 4.320 -0.001 0.000 0.219 3188 A C 2.313 179.818 177.584 -0.132 0.000 1.163 3188 A CA 1.000 52.983 52.037 -0.090 0.000 0.646 3188 A CB -0.189 18.762 19.000 -0.083 0.000 0.806 3188 A HN 0.384 nan 8.150 nan 0.000 0.448 3189 L N -2.094 119.022 121.223 -0.178 0.000 2.416 3189 L HA 0.157 4.497 4.340 -0.001 0.000 0.216 3189 L C 0.972 177.729 176.870 -0.189 0.000 1.098 3189 L CA 0.368 54.988 54.840 -0.367 0.000 0.840 3189 L CB 0.262 41.885 42.059 -0.725 0.000 0.981 3189 L HN 0.554 nan 8.230 nan 0.000 0.462 3190 Q N 0.349 120.158 119.800 0.014 0.000 2.380 3190 Q HA 0.172 4.511 4.340 -0.001 0.000 0.245 3190 Q C -0.822 175.228 176.000 0.084 0.000 0.893 3190 Q CA -0.675 55.213 55.803 0.142 0.000 0.922 3190 Q CB 1.339 30.294 28.738 0.363 0.000 1.432 3190 Q HN -0.005 nan 8.270 nan 0.000 0.434 3191 R N 2.429 122.964 120.500 0.057 0.000 2.474 3191 R HA -0.089 4.250 4.340 -0.001 0.000 0.290 3191 R C -0.901 175.441 176.300 0.071 0.000 0.918 3191 R CA 1.360 57.489 56.100 0.047 0.000 1.130 3191 R CB 0.176 30.499 30.300 0.038 0.000 0.881 3191 R HN 0.685 nan 8.270 nan 0.000 0.416 3192 D N 4.844 125.289 120.400 0.075 0.000 2.318 3192 D HA 0.158 4.797 4.640 -0.001 0.000 0.233 3192 D C -1.989 174.371 176.300 0.100 0.000 1.348 3192 D CA -1.276 52.788 54.000 0.106 0.000 0.983 3192 D CB 1.328 42.234 40.800 0.177 0.000 1.416 3192 D HN 0.198 nan 8.370 nan 0.000 0.558 3193 P HA 0.054 nan 4.420 nan 0.000 0.227 3193 P C 1.693 179.044 177.300 0.086 0.000 1.161 3193 P CA 0.079 63.226 63.100 0.078 0.000 0.788 3193 P CB 0.615 32.352 31.700 0.060 0.000 0.822 3194 L N -1.121 120.156 121.223 0.090 0.000 2.549 3194 L HA -0.046 4.294 4.340 -0.001 0.000 0.230 3194 L C 1.213 178.149 176.870 0.110 0.000 1.162 3194 L CA 0.249 55.143 54.840 0.089 0.000 0.834 3194 L CB -0.505 41.602 42.059 0.079 0.000 0.947 3194 L HN 0.044 nan 8.230 nan 0.000 0.452 3195 L N 0.276 121.579 121.223 0.132 0.000 2.265 3195 L HA 0.349 4.688 4.340 -0.001 0.000 0.289 3195 L C -0.435 176.491 176.870 0.093 0.000 1.033 3195 L CA 0.239 55.164 54.840 0.142 0.000 0.814 3195 L CB 1.160 43.347 42.059 0.214 0.000 1.203 3195 L HN -0.006 nan 8.230 nan 0.000 0.423 3196 Q N 6.211 126.033 119.800 0.035 0.000 2.394 3196 Q HA 0.540 4.880 4.340 -0.001 0.000 0.273 3196 Q C -2.559 173.298 176.000 -0.237 0.000 1.089 3196 Q CA -2.104 53.662 55.803 -0.062 0.000 0.812 3196 Q CB 2.732 31.453 28.738 -0.028 0.000 1.353 3196 Q HN 0.431 nan 8.270 nan 0.000 0.438 3197 P HA 0.074 nan 4.420 nan 0.000 0.282 3197 P C -0.584 176.403 177.300 -0.521 0.000 1.274 3197 P CA -0.045 62.611 63.100 -0.740 0.000 0.770 3197 P CB 0.661 31.385 31.700 -1.627 0.000 0.867 3198 G N 4.239 112.772 108.800 -0.446 0.000 2.922 3198 G HA2 0.173 4.132 3.960 -0.001 0.000 0.335 3198 G HA3 0.173 4.132 3.960 -0.001 0.000 0.335 3198 G C 0.234 174.808 174.900 -0.544 0.000 1.016 3198 G CA -0.542 44.091 45.100 -0.778 0.000 1.306 3198 G HN 0.437 nan 8.290 nan 0.000 0.465 3199 R N 1.354 121.640 120.500 -0.357 0.000 2.698 3199 R HA 0.349 4.688 4.340 -0.001 0.000 0.266 3199 R C 0.313 176.502 176.300 -0.185 0.000 1.026 3199 R CA 0.681 56.692 56.100 -0.148 0.000 1.102 3199 R CB 0.466 30.749 30.300 -0.028 0.000 0.978 3199 R HN 0.482 nan 8.270 nan 0.000 0.436 3200 G N 1.921 110.620 108.800 -0.168 0.000 2.659 3200 G HA2 0.313 4.273 3.960 -0.001 0.000 0.296 3200 G HA3 0.313 4.273 3.960 -0.001 0.000 0.296 3200 G C -1.896 172.952 174.900 -0.086 0.000 1.369 3200 G CA -0.529 44.527 45.100 -0.074 0.000 0.937 3200 G HN 0.561 nan 8.290 nan 0.000 0.485 3201 Q N -0.144 119.640 119.800 -0.026 0.000 2.375 3201 Q HA 0.691 5.031 4.340 -0.001 0.000 0.271 3201 Q C -1.021 174.972 176.000 -0.013 0.000 1.074 3201 Q CA -0.820 54.965 55.803 -0.029 0.000 0.808 3201 Q CB 2.144 30.874 28.738 -0.013 0.000 1.327 3201 Q HN 0.724 nan 8.270 nan 0.000 0.441 3202 I N -0.764 119.802 120.570 -0.007 0.000 3.145 3202 I HA 0.653 4.822 4.170 -0.001 0.000 0.313 3202 I C -1.177 174.943 176.117 0.005 0.000 1.122 3202 I CA -1.073 60.223 61.300 -0.006 0.000 0.987 3202 I CB 2.186 40.213 38.000 0.045 0.000 1.236 3202 I HN 0.662 nan 8.210 nan 0.000 0.453 3203 M N 2.202 121.805 119.600 0.005 0.000 2.326 3203 M HA 0.504 4.984 4.480 -0.001 0.000 0.306 3203 M C -1.350 174.974 176.300 0.040 0.000 1.054 3203 M CA -0.683 54.636 55.300 0.031 0.000 0.922 3203 M CB 1.901 34.526 32.600 0.043 0.000 1.632 3203 M HN 0.530 nan 8.290 nan 0.000 0.436 3204 K N 3.191 123.617 120.400 0.043 0.000 2.213 3204 K HA 0.644 4.964 4.320 -0.001 0.000 0.270 3204 K C -1.364 175.263 176.600 0.045 0.000 1.002 3204 K CA -0.538 55.772 56.287 0.039 0.000 0.868 3204 K CB 2.287 34.806 32.500 0.032 0.000 1.093 3204 K HN 0.459 nan 8.250 nan 0.000 0.454 3205 V N 1.808 121.745 119.914 0.040 0.000 2.876 3205 V HA 0.141 4.260 4.120 -0.001 0.000 0.312 3205 V C -0.839 175.255 176.094 -0.000 0.000 1.085 3205 V CA -0.886 61.447 62.300 0.055 0.000 0.945 3205 V CB 2.356 34.250 31.823 0.119 0.000 1.017 3205 V HN 0.722 nan 8.190 nan 0.000 0.428 3206 D N 3.913 124.319 120.400 0.010 0.000 2.380 3206 D HA 0.573 5.213 4.640 -0.001 0.000 0.230 3206 D C -0.390 175.856 176.300 -0.091 0.000 1.154 3206 D CA 0.031 54.018 54.000 -0.022 0.000 0.859 3206 D CB 1.463 42.278 40.800 0.025 0.000 1.045 3206 D HN 0.708 nan 8.370 nan 0.000 0.495 3207 A N 5.354 128.002 122.820 -0.286 0.000 3.158 3207 A HA 0.313 4.632 4.320 -0.001 0.000 0.302 3207 A C -2.160 174.955 177.584 -0.783 0.000 1.162 3207 A CA -0.789 50.745 52.037 -0.839 0.000 0.824 3207 A CB 1.167 19.527 19.000 -1.067 0.000 1.322 3207 A HN 0.362 nan 8.150 nan 0.000 0.510 3208 P HA -0.066 nan 4.420 nan 0.000 0.242 3208 P C 0.828 178.125 177.300 -0.004 0.000 1.197 3208 P CA 0.655 63.695 63.100 -0.101 0.000 0.765 3208 P CB -0.306 31.420 31.700 0.044 0.000 0.936 3209 W N -1.262 120.049 121.300 0.017 0.000 2.863 3209 W HA 0.280 4.939 4.660 -0.001 0.000 0.258 3209 W C 0.639 177.178 176.519 0.033 0.000 1.298 3209 W CA -0.314 57.043 57.345 0.020 0.000 1.451 3209 W CB -1.113 28.361 29.460 0.024 0.000 1.107 3209 W HN -0.333 nan 8.180 nan 0.000 0.641 3210 M N 3.153 122.569 119.600 -0.307 0.000 2.435 3210 M HA 0.076 4.555 4.480 -0.001 0.000 0.338 3210 M C 0.422 176.693 176.300 -0.049 0.000 1.628 3210 M CA 0.762 55.982 55.300 -0.134 0.000 1.215 3210 M CB 0.386 32.842 32.600 -0.239 0.000 1.905 3210 M HN 0.025 nan 8.290 nan 0.000 0.457 3211 K N 1.608 121.997 120.400 -0.019 0.000 2.353 3211 K HA 0.182 4.501 4.320 -0.001 0.000 0.195 3211 K C -0.009 176.381 176.600 -0.349 0.000 1.031 3211 K CA 0.470 56.651 56.287 -0.177 0.000 1.079 3211 K CB 0.171 32.534 32.500 -0.229 0.000 0.857 3211 K HN 0.642 nan 8.250 nan 0.000 0.535 3212 H N -0.210 118.900 119.070 0.067 0.000 2.569 3212 H HA 0.334 4.889 4.556 -0.001 0.000 0.357 3212 H C -0.374 174.971 175.328 0.028 0.000 1.153 3212 H CA -1.131 54.908 56.048 -0.015 0.000 1.193 3212 H CB 1.021 30.837 29.762 0.090 0.000 1.602 3212 H HN -0.079 nan 8.280 nan 0.000 0.523 3213 F N 0.473 120.518 119.950 0.158 0.000 2.389 3213 F HA 0.560 5.086 4.527 -0.001 0.000 0.337 3213 F C -0.692 175.170 175.800 0.104 0.000 1.112 3213 F CA -1.066 56.988 58.000 0.089 0.000 1.192 3213 F CB 0.268 39.282 39.000 0.024 0.000 1.185 3213 F HN 0.291 nan 8.300 nan 0.000 0.552 3214 I N 4.859 125.615 120.570 0.309 0.000 2.476 3214 I HA 0.274 4.443 4.170 -0.001 0.000 0.281 3214 I C -1.192 174.941 176.117 0.026 0.000 1.040 3214 I CA -0.468 60.880 61.300 0.080 0.000 1.094 3214 I CB 1.454 39.365 38.000 -0.149 0.000 1.219 3214 I HN 0.535 nan 8.210 nan 0.000 0.450 3215 L N 5.723 126.955 121.223 0.015 0.000 2.287 3215 L HA 0.564 4.904 4.340 -0.001 0.000 0.287 3215 L C 0.445 177.020 176.870 -0.492 0.000 1.022 3215 L CA -0.615 54.123 54.840 -0.169 0.000 0.814 3215 L CB 1.569 43.551 42.059 -0.128 0.000 1.217 3215 L HN 0.554 nan 8.230 nan 0.000 0.420 3216 T N -1.692 112.507 114.554 -0.592 0.000 2.922 3216 T HA 0.464 4.813 4.350 -0.001 0.000 0.285 3216 T C -0.263 173.940 174.700 -0.827 0.000 1.005 3216 T CA -0.696 60.933 62.100 -0.785 0.000 1.061 3216 T CB 1.353 69.805 68.868 -0.694 0.000 1.007 3216 T HN 0.438 nan 8.240 nan 0.000 0.502 3217 H N 1.128 119.936 119.070 -0.436 0.000 2.589 3217 H HA 0.572 5.127 4.556 -0.001 0.000 0.351 3217 H C -1.313 174.011 175.328 -0.008 0.000 1.074 3217 H CA -0.608 55.284 56.048 -0.260 0.000 1.203 3217 H CB 2.133 31.588 29.762 -0.512 0.000 1.558 3217 H HN 0.855 nan 8.280 nan 0.000 0.522 3218 D N 3.767 124.262 120.400 0.158 0.000 2.613 3218 D HA 0.153 4.792 4.640 -0.001 0.000 0.230 3218 D C -1.999 174.395 176.300 0.156 0.000 1.365 3218 D CA -1.541 52.591 54.000 0.220 0.000 0.976 3218 D CB 2.088 43.034 40.800 0.243 0.000 1.415 3218 D HN 0.117 nan 8.370 nan 0.000 0.589 3219 P HA -0.106 nan 4.420 nan 0.000 0.228 3219 P C 0.453 177.790 177.300 0.062 0.000 1.151 3219 P CA 0.709 63.862 63.100 0.090 0.000 0.770 3219 P CB 0.421 32.173 31.700 0.087 0.000 0.786 3220 E N 0.040 120.282 120.200 0.070 0.000 2.427 3220 E HA -0.045 4.305 4.350 -0.001 0.000 0.196 3220 E C 1.592 178.225 176.600 0.054 0.000 1.028 3220 E CA 0.577 57.006 56.400 0.050 0.000 0.864 3220 E CB -0.051 29.673 29.700 0.040 0.000 0.813 3220 E HN 0.448 nan 8.360 nan 0.000 0.514 3221 R N -0.538 120.000 120.500 0.063 0.000 2.544 3221 R HA 0.216 4.556 4.340 -0.001 0.000 0.303 3221 R C 0.760 177.088 176.300 0.047 0.000 0.939 3221 R CA 0.378 56.517 56.100 0.066 0.000 1.102 3221 R CB 1.254 31.602 30.300 0.079 0.000 1.440 3221 R HN 0.131 nan 8.270 nan 0.000 0.532 3222 G N 2.299 111.110 108.800 0.018 0.000 2.749 3222 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.242 3222 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.242 3222 G C -0.185 174.635 174.900 -0.132 0.000 1.364 3222 G CA -0.273 44.794 45.100 -0.056 0.000 0.888 3222 G HN 0.157 nan 8.290 nan 0.000 0.566 3223 I N 0.154 120.533 120.570 -0.318 0.000 2.996 3223 I HA 0.170 4.339 4.170 -0.001 0.000 0.311 3223 I C 1.377 177.238 176.117 -0.426 0.000 1.219 3223 I CA 0.857 61.834 61.300 -0.537 0.000 1.452 3223 I CB -0.672 36.805 38.000 -0.872 0.000 1.319 3223 I HN 1.058 nan 8.210 nan 0.000 0.564 3224 Y N 2.904 123.166 120.300 -0.062 0.000 4.469 3224 Y HA -0.303 4.246 4.550 -0.001 0.000 0.220 3224 Y C 1.195 177.235 175.900 0.234 0.000 1.078 3224 Y CA 1.154 59.324 58.100 0.117 0.000 1.881 3224 Y CB -2.442 36.163 38.460 0.241 0.000 1.608 3224 Y HN 0.747 nan 8.280 nan 0.000 0.634 3225 N N -0.248 118.588 118.700 0.227 0.000 2.338 3225 N HA 0.294 5.033 4.740 -0.001 0.000 0.251 3225 N C -0.631 174.951 175.510 0.120 0.000 1.199 3225 N CA 0.480 53.657 53.050 0.210 0.000 0.879 3225 N CB 0.580 39.189 38.487 0.202 0.000 1.159 3225 N HN 0.201 nan 8.380 nan 0.000 0.514 3226 S N -0.209 115.551 115.700 0.100 0.000 2.548 3226 S HA 0.583 5.053 4.470 -0.001 0.000 0.286 3226 S C -2.796 171.802 174.600 -0.003 0.000 1.098 3226 S CA -1.618 56.600 58.200 0.030 0.000 0.930 3226 S CB 0.997 64.180 63.200 -0.028 0.000 1.070 3226 S HN -0.045 nan 8.310 nan 0.000 0.480 3227 P HA 0.110 nan 4.420 nan 0.000 0.256 3227 P C -1.405 175.831 177.300 -0.108 0.000 1.173 3227 P CA 0.493 63.510 63.100 -0.137 0.000 0.768 3227 P CB -0.391 31.242 31.700 -0.111 0.000 0.758 3228 Y N 2.131 122.373 120.300 -0.095 0.000 2.524 3228 Y HA 0.816 5.366 4.550 -0.001 0.000 0.344 3228 Y C -0.608 175.260 175.900 -0.054 0.000 1.012 3228 Y CA -1.742 56.302 58.100 -0.094 0.000 1.068 3228 Y CB 1.343 39.760 38.460 -0.072 0.000 1.249 3228 Y HN 0.108 nan 8.280 nan 0.000 0.468 3229 I N 4.310 124.992 120.570 0.188 0.000 2.503 3229 I HA 0.349 4.518 4.170 -0.001 0.000 0.282 3229 I C -1.373 174.862 176.117 0.196 0.000 1.059 3229 I CA -0.422 60.952 61.300 0.124 0.000 1.081 3229 I CB 1.410 39.431 38.000 0.036 0.000 1.210 3229 I HN 0.563 nan 8.210 nan 0.000 0.450 3230 I N 7.850 128.538 120.570 0.197 0.000 2.390 3230 I HA 0.339 4.509 4.170 -0.001 0.000 0.283 3230 I C -2.424 173.787 176.117 0.157 0.000 1.016 3230 I CA -1.894 59.519 61.300 0.187 0.000 1.151 3230 I CB 1.303 39.374 38.000 0.117 0.000 1.293 3230 I HN 0.224 nan 8.210 nan 0.000 0.458 3231 P HA 0.114 nan 4.420 nan 0.000 0.269 3231 P C 0.458 177.890 177.300 0.219 0.000 1.263 3231 P CA 0.043 63.215 63.100 0.121 0.000 0.813 3231 P CB 0.614 32.364 31.700 0.083 0.000 0.868 3232 G N 1.875 110.771 108.800 0.160 0.000 2.563 3232 G HA2 0.122 4.082 3.960 -0.001 0.000 0.283 3232 G HA3 0.122 4.082 3.960 -0.001 0.000 0.283 3232 G C 1.228 176.116 174.900 -0.020 0.000 1.309 3232 G CA -0.160 45.068 45.100 0.215 0.000 1.022 3232 G HN 0.342 nan 8.290 nan 0.000 0.501 3233 T N -1.184 113.311 114.554 -0.099 0.000 2.652 3233 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 3233 T C 2.102 176.703 174.700 -0.164 0.000 1.039 3233 T CA 1.963 63.886 62.100 -0.295 0.000 1.153 3233 T CB -0.149 68.604 68.868 -0.191 0.000 0.863 3233 T HN 0.338 nan 8.240 nan 0.000 0.428 3234 Q N -0.293 119.463 119.800 -0.073 0.000 2.391 3234 Q HA 0.297 4.636 4.340 -0.001 0.000 0.211 3234 Q C 0.877 176.852 176.000 -0.042 0.000 0.908 3234 Q CA 0.397 56.169 55.803 -0.051 0.000 0.920 3234 Q CB 0.935 29.660 28.738 -0.022 0.000 1.056 3234 Q HN 0.510 nan 8.270 nan 0.000 0.523 3235 T N -1.268 113.265 114.554 -0.035 0.000 2.749 3235 T HA 0.433 4.782 4.350 -0.001 0.000 0.310 3235 T C -1.672 173.016 174.700 -0.021 0.000 1.496 3235 T CA -0.522 61.560 62.100 -0.031 0.000 1.006 3235 T CB 1.328 70.191 68.868 -0.009 0.000 1.457 3235 T HN -0.240 nan 8.240 nan 0.000 0.497 3236 V N 2.941 122.833 119.914 -0.036 0.000 2.394 3236 V HA 0.469 4.588 4.120 -0.001 0.000 0.282 3236 V C 0.503 176.606 176.094 0.016 0.000 1.031 3236 V CA -0.505 61.782 62.300 -0.022 0.000 0.881 3236 V CB 1.546 33.312 31.823 -0.095 0.000 0.982 3236 V HN 1.031 nan 8.190 nan 0.000 0.451 3237 T N 6.894 121.482 114.554 0.056 0.000 2.794 3237 T HA 0.484 4.833 4.350 -0.001 0.000 0.296 3237 T C -0.428 174.307 174.700 0.059 0.000 0.949 3237 T CA -0.152 61.994 62.100 0.077 0.000 1.101 3237 T CB 0.465 69.412 68.868 0.131 0.000 0.905 3237 T HN 0.184 nan 8.240 nan 0.000 0.516 3238 L N 3.570 124.792 121.223 -0.001 0.000 2.325 3238 L HA 0.776 5.115 4.340 -0.001 0.000 0.281 3238 L C 0.601 177.334 176.870 -0.227 0.000 1.004 3238 L CA 0.091 54.872 54.840 -0.098 0.000 0.823 3238 L CB 1.330 43.354 42.059 -0.058 0.000 1.236 3238 L HN 0.873 nan 8.230 nan 0.000 0.415 3239 G N 0.695 109.121 108.800 -0.623 0.000 2.911 3239 G HA2 0.641 4.601 3.960 -0.001 0.000 0.299 3239 G HA3 0.641 4.601 3.960 -0.001 0.000 0.299 3239 G C -0.377 173.877 174.900 -1.077 0.000 1.283 3239 G CA -0.212 44.339 45.100 -0.915 0.000 0.805 3239 G HN 0.854 nan 8.290 nan 0.000 0.548 3240 G N -0.765 107.597 108.800 -0.730 0.000 2.767 3240 G HA2 0.252 4.212 3.960 -0.001 0.000 0.228 3240 G HA3 0.252 4.212 3.960 -0.001 0.000 0.228 3240 G C -0.700 174.241 174.900 0.069 0.000 1.271 3240 G CA -0.404 44.573 45.100 -0.205 0.000 1.029 3240 G HN 0.646 nan 8.290 nan 0.000 0.543 3241 I N 0.804 121.472 120.570 0.163 0.000 2.447 3241 I HA 0.583 4.752 4.170 -0.001 0.000 0.287 3241 I C -1.213 175.069 176.117 0.275 0.000 1.023 3241 I CA -1.289 60.110 61.300 0.165 0.000 1.083 3241 I CB 1.486 39.528 38.000 0.070 0.000 1.245 3241 I HN 0.155 nan 8.210 nan 0.000 0.434 3242 F N 6.137 126.161 119.950 0.124 0.000 2.553 3242 F HA 0.484 5.010 4.527 -0.001 0.000 0.335 3242 F C -0.740 175.111 175.800 0.085 0.000 1.148 3242 F CA -0.159 57.920 58.000 0.132 0.000 0.963 3242 F CB 1.373 40.494 39.000 0.201 0.000 1.217 3242 F HN 0.417 nan 8.300 nan 0.000 0.441 3243 Q N 6.948 126.585 119.800 -0.271 0.000 2.303 3243 Q HA 0.405 4.744 4.340 -0.001 0.000 0.267 3243 Q C -1.186 174.628 176.000 -0.310 0.000 1.011 3243 Q CA -0.672 55.040 55.803 -0.152 0.000 0.740 3243 Q CB 2.714 31.417 28.738 -0.057 0.000 1.250 3243 Q HN 0.651 nan 8.270 nan 0.000 0.458 3244 L N 1.879 122.989 121.223 -0.189 0.000 2.418 3244 L HA 0.284 4.623 4.340 -0.001 0.000 0.274 3244 L C 1.102 177.892 176.870 -0.134 0.000 1.135 3244 L CA 0.826 55.564 54.840 -0.170 0.000 0.870 3244 L CB 0.380 42.445 42.059 0.010 0.000 1.154 3244 L HN 1.100 nan 8.230 nan 0.000 0.462 3245 G N 2.548 111.207 108.800 -0.234 0.000 2.195 3245 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.224 3245 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.224 3245 G C 0.316 175.099 174.900 -0.195 0.000 0.990 3245 G CA -0.273 44.718 45.100 -0.182 0.000 0.639 3245 G HN 0.599 nan 8.290 nan 0.000 0.514 3246 N N 0.304 118.881 118.700 -0.205 0.000 2.405 3246 N HA 0.312 5.052 4.740 -0.001 0.000 0.260 3246 N C 0.292 175.712 175.510 -0.150 0.000 1.152 3246 N CA -0.535 52.467 53.050 -0.080 0.000 0.948 3246 N CB 0.023 38.507 38.487 -0.006 0.000 1.111 3246 N HN 0.382 nan 8.380 nan 0.000 0.485 3247 W N 1.886 123.147 121.300 -0.064 0.000 3.325 3247 W HA 0.229 4.889 4.660 -0.001 0.000 0.370 3247 W C 0.855 177.389 176.519 0.026 0.000 1.169 3247 W CA -0.453 56.736 57.345 -0.261 0.000 1.874 3247 W CB 0.350 29.656 29.460 -0.258 0.000 1.076 3247 W HN 0.383 nan 8.180 nan 0.000 0.684 3248 S N 1.551 117.490 115.700 0.398 0.000 2.473 3248 S HA 0.080 4.549 4.470 -0.001 0.000 0.312 3248 S C 0.157 175.014 174.600 0.428 0.000 1.087 3248 S CA -0.424 57.988 58.200 0.352 0.000 1.077 3248 S CB 0.133 63.457 63.200 0.207 0.000 1.065 3248 S HN 0.244 nan 8.310 nan 0.000 0.510 3249 E N 4.611 125.120 120.200 0.515 0.000 1.972 3249 E HA 0.264 4.614 4.350 -0.001 0.000 0.292 3249 E C -1.002 175.680 176.600 0.137 0.000 1.193 3249 E CA -0.219 56.363 56.400 0.303 0.000 1.228 3249 E CB -0.007 29.945 29.700 0.420 0.000 1.167 3249 E HN 0.508 nan 8.360 nan 0.000 0.479 3250 L N 3.525 124.799 121.223 0.085 0.000 2.661 3250 L HA 0.323 4.663 4.340 -0.001 0.000 0.263 3250 L C -1.407 175.485 176.870 0.037 0.000 0.956 3250 L CA -0.729 54.148 54.840 0.062 0.000 0.918 3250 L CB 1.350 43.457 42.059 0.081 0.000 1.280 3250 L HN 0.096 nan 8.230 nan 0.000 0.416 3251 N N 2.948 121.660 118.700 0.020 0.000 2.357 3251 N HA -0.010 4.729 4.740 -0.001 0.000 0.257 3251 N C -0.404 175.124 175.510 0.030 0.000 1.250 3251 N CA 0.472 53.535 53.050 0.021 0.000 0.862 3251 N CB 0.344 38.844 38.487 0.022 0.000 1.066 3251 N HN 0.691 nan 8.380 nan 0.000 0.468 3252 N N 2.356 121.080 118.700 0.040 0.000 2.408 3252 N HA 0.163 4.903 4.740 -0.001 0.000 0.280 3252 N C 0.978 176.523 175.510 0.058 0.000 1.002 3252 N CA -0.538 52.539 53.050 0.044 0.000 0.907 3252 N CB 0.676 39.192 38.487 0.048 0.000 1.161 3252 N HN 0.417 nan 8.380 nan 0.000 0.488 3253 I N 2.175 122.764 120.570 0.031 0.000 2.567 3253 I HA -0.181 3.988 4.170 -0.001 0.000 0.257 3253 I C 1.084 177.250 176.117 0.083 0.000 1.184 3253 I CA 1.272 62.585 61.300 0.020 0.000 1.451 3253 I CB -0.096 37.877 38.000 -0.046 0.000 1.089 3253 I HN 0.700 nan 8.210 nan 0.000 0.441 3254 Q N 0.742 120.585 119.800 0.071 0.000 2.016 3254 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 3254 Q C 1.832 177.891 176.000 0.099 0.000 0.978 3254 Q CA 1.753 57.603 55.803 0.079 0.000 0.833 3254 Q CB -0.293 28.480 28.738 0.059 0.000 0.895 3254 Q HN 0.416 nan 8.270 nan 0.000 0.427 3255 D N -0.964 119.490 120.400 0.089 0.000 2.123 3255 D HA -0.189 4.451 4.640 -0.001 0.000 0.196 3255 D C 1.713 178.073 176.300 0.100 0.000 0.992 3255 D CA 1.461 55.508 54.000 0.079 0.000 0.833 3255 D CB -0.329 40.506 40.800 0.059 0.000 0.954 3255 D HN 0.432 nan 8.370 nan 0.000 0.455 3256 H N 1.561 120.650 119.070 0.033 0.000 2.257 3256 H HA -0.144 4.412 4.556 -0.001 0.000 0.292 3256 H C 1.821 177.206 175.328 0.096 0.000 1.075 3256 H CA 2.444 58.520 56.048 0.046 0.000 1.212 3256 H CB -0.049 29.721 29.762 0.014 0.000 1.354 3256 H HN 0.001 nan 8.280 nan 0.000 0.497 3257 N N -0.157 118.701 118.700 0.264 0.000 2.060 3257 N HA -0.176 4.563 4.740 -0.001 0.000 0.195 3257 N C 1.980 177.562 175.510 0.120 0.000 1.028 3257 N CA 2.077 55.255 53.050 0.214 0.000 0.861 3257 N CB -1.004 37.605 38.487 0.204 0.000 1.029 3257 N HN 0.490 nan 8.380 nan 0.000 0.428 3258 T N 2.284 116.889 114.554 0.085 0.000 2.653 3258 T HA -0.126 4.223 4.350 -0.001 0.000 0.268 3258 T C 2.178 176.883 174.700 0.007 0.000 1.035 3258 T CA 1.224 63.352 62.100 0.047 0.000 1.154 3258 T CB -0.335 68.559 68.868 0.043 0.000 0.862 3258 T HN 0.220 nan 8.240 nan 0.000 0.441 3259 I N -0.436 120.125 120.570 -0.014 0.000 2.163 3259 I HA -0.129 4.040 4.170 -0.001 0.000 0.240 3259 I C 2.511 178.602 176.117 -0.044 0.000 1.081 3259 I CA 1.301 62.561 61.300 -0.066 0.000 1.353 3259 I CB -0.379 37.568 38.000 -0.089 0.000 1.054 3259 I HN 0.412 nan 8.210 nan 0.000 0.407 3260 W N 2.176 123.339 121.300 -0.228 0.000 2.354 3260 W HA -0.221 4.438 4.660 -0.001 0.000 0.315 3260 W C 2.356 178.821 176.519 -0.090 0.000 1.206 3260 W CA 1.750 58.978 57.345 -0.194 0.000 1.290 3260 W CB -0.096 29.191 29.460 -0.288 0.000 1.152 3260 W HN 0.101 nan 8.180 nan 0.000 0.489 3261 E N -0.183 120.036 120.200 0.031 0.000 2.038 3261 E HA -0.138 4.211 4.350 -0.001 0.000 0.195 3261 E C 2.434 178.973 176.600 -0.101 0.000 1.000 3261 E CA 2.214 58.593 56.400 -0.034 0.000 0.803 3261 E CB -1.131 28.614 29.700 0.074 0.000 0.750 3261 E HN 0.323 nan 8.360 nan 0.000 0.448 3262 G N -0.554 108.206 108.800 -0.067 0.000 2.432 3262 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 3262 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 3262 G C 1.655 176.487 174.900 -0.114 0.000 1.135 3262 G CA 0.993 46.055 45.100 -0.064 0.000 0.767 3262 G HN 0.341 nan 8.290 nan 0.000 0.550 3263 C N -0.419 118.766 119.300 -0.192 0.000 2.467 3263 C HA 0.058 4.518 4.460 -0.001 0.000 0.279 3263 C C 2.999 177.830 174.990 -0.265 0.000 1.347 3263 C CA 0.353 59.236 59.018 -0.224 0.000 1.748 3263 C CB -0.956 26.631 27.740 -0.254 0.000 1.977 3263 C HN 0.580 nan 8.230 nan 0.000 0.501 3264 C N -0.124 118.944 119.300 -0.387 0.000 2.448 3264 C HA -0.036 4.423 4.460 -0.001 0.000 0.280 3264 C C 2.794 177.685 174.990 -0.165 0.000 1.398 3264 C CA 0.685 59.486 59.018 -0.362 0.000 1.774 3264 C CB -1.433 25.990 27.740 -0.527 0.000 1.888 3264 C HN 0.598 nan 8.230 nan 0.000 0.519 3265 R N 0.325 120.758 120.500 -0.112 0.000 2.073 3265 R HA 0.003 4.343 4.340 -0.001 0.000 0.229 3265 R C 2.200 178.510 176.300 0.017 0.000 1.120 3265 R CA 0.962 57.045 56.100 -0.028 0.000 0.967 3265 R CB -0.270 30.030 30.300 0.000 0.000 0.862 3265 R HN 0.486 nan 8.270 nan 0.000 0.436 3266 L N 0.111 121.336 121.223 0.005 0.000 2.027 3266 L HA -0.102 4.237 4.340 -0.001 0.000 0.206 3266 L C 0.242 177.174 176.870 0.104 0.000 1.074 3266 L CA 1.311 56.185 54.840 0.056 0.000 0.745 3266 L CB 0.133 42.166 42.059 -0.042 0.000 0.898 3266 L HN 0.144 nan 8.230 nan 0.000 0.433 3267 E N -1.260 118.954 120.200 0.024 0.000 2.518 3267 E HA 0.193 4.542 4.350 -0.001 0.000 0.240 3267 E C -2.008 174.590 176.600 -0.003 0.000 0.996 3267 E CA -1.749 54.674 56.400 0.038 0.000 0.768 3267 E CB 1.442 31.181 29.700 0.066 0.000 1.329 3267 E HN -0.053 nan 8.360 nan 0.000 0.408 3268 P HA -0.205 nan 4.420 nan 0.000 0.220 3268 P C 1.155 178.465 177.300 0.018 0.000 1.144 3268 P CA 1.590 64.679 63.100 -0.018 0.000 0.800 3268 P CB 0.079 31.772 31.700 -0.012 0.000 0.772 3269 T N -3.431 111.173 114.554 0.083 0.000 2.929 3269 T HA -0.131 4.219 4.350 -0.001 0.000 0.271 3269 T C 1.548 176.422 174.700 0.290 0.000 1.085 3269 T CA 0.741 62.950 62.100 0.183 0.000 1.125 3269 T CB -0.978 68.074 68.868 0.305 0.000 0.874 3269 T HN -0.075 nan 8.240 nan 0.000 0.494 3270 L N 0.297 121.601 121.223 0.135 0.000 2.551 3270 L HA 0.349 4.688 4.340 -0.001 0.000 0.228 3270 L C 2.345 179.184 176.870 -0.052 0.000 1.153 3270 L CA 1.072 55.928 54.840 0.026 0.000 0.851 3270 L CB -0.717 41.227 42.059 -0.191 0.000 0.959 3270 L HN 0.182 nan 8.230 nan 0.000 0.451 3271 K N -0.273 120.127 120.400 -0.001 0.000 2.283 3271 K HA 0.030 4.350 4.320 -0.001 0.000 0.202 3271 K C 0.705 177.487 176.600 0.303 0.000 1.048 3271 K CA 0.716 57.057 56.287 0.090 0.000 0.948 3271 K CB 0.126 32.664 32.500 0.064 0.000 0.742 3271 K HN 0.271 nan 8.250 nan 0.000 0.458 3272 N N 0.307 119.169 118.700 0.270 0.000 2.458 3272 N HA 0.154 4.894 4.740 -0.001 0.000 0.274 3272 N C -1.263 174.460 175.510 0.356 0.000 1.242 3272 N CA -0.003 53.210 53.050 0.270 0.000 0.904 3272 N CB 1.390 39.974 38.487 0.162 0.000 1.206 3272 N HN 0.017 nan 8.380 nan 0.000 0.510 3273 A N 0.756 123.834 122.820 0.429 0.000 2.317 3273 A HA 0.570 4.889 4.320 -0.001 0.000 0.327 3273 A C 0.177 177.949 177.584 0.314 0.000 1.178 3273 A CA -0.594 51.668 52.037 0.375 0.000 0.817 3273 A CB 1.473 20.636 19.000 0.270 0.000 1.189 3273 A HN 0.098 nan 8.150 nan 0.000 0.489 3274 R N 1.660 122.276 120.500 0.193 0.000 2.389 3274 R HA 0.337 4.677 4.340 -0.001 0.000 0.295 3274 R C -0.576 175.773 176.300 0.081 0.000 1.075 3274 R CA -0.520 55.646 56.100 0.109 0.000 1.005 3274 R CB -0.258 30.091 30.300 0.082 0.000 0.987 3274 R HN 0.625 nan 8.270 nan 0.000 0.452 3275 I N 6.583 127.163 120.570 0.017 0.000 2.347 3275 I HA -0.001 4.168 4.170 -0.001 0.000 0.294 3275 I C 0.769 176.892 176.117 0.010 0.000 1.090 3275 I CA -0.208 61.094 61.300 0.004 0.000 1.314 3275 I CB 0.605 38.553 38.000 -0.086 0.000 1.423 3275 I HN 0.590 nan 8.210 nan 0.000 0.503 3276 I N 4.738 125.324 120.570 0.026 0.000 2.480 3276 I HA 0.166 4.335 4.170 -0.001 0.000 0.251 3276 I C 1.232 177.359 176.117 0.017 0.000 1.124 3276 I CA 0.555 61.867 61.300 0.019 0.000 1.444 3276 I CB -0.248 37.764 38.000 0.021 0.000 1.098 3276 I HN 0.647 nan 8.210 nan 0.000 0.428 3277 G N -0.550 108.264 108.800 0.023 0.000 2.601 3277 G HA2 0.584 4.543 3.960 -0.001 0.000 0.291 3277 G HA3 0.584 4.543 3.960 -0.001 0.000 0.291 3277 G C -1.411 173.507 174.900 0.031 0.000 1.456 3277 G CA -0.546 44.567 45.100 0.023 0.000 0.804 3277 G HN -0.025 nan 8.290 nan 0.000 0.499 3278 E N 0.114 120.331 120.200 0.029 0.000 2.290 3278 E HA 0.560 4.909 4.350 -0.001 0.000 0.274 3278 E C -0.870 175.741 176.600 0.018 0.000 0.889 3278 E CA -0.910 55.510 56.400 0.034 0.000 0.760 3278 E CB 2.650 32.382 29.700 0.054 0.000 1.206 3278 E HN 0.268 nan 8.360 nan 0.000 0.419 3279 R N 0.776 121.281 120.500 0.008 0.000 2.836 3279 R HA 0.632 4.972 4.340 -0.001 0.000 0.269 3279 R C -1.056 175.219 176.300 -0.043 0.000 1.010 3279 R CA -0.710 55.383 56.100 -0.012 0.000 0.930 3279 R CB 2.325 32.622 30.300 -0.006 0.000 1.218 3279 R HN 0.497 nan 8.270 nan 0.000 0.473 3280 T N -0.045 114.454 114.554 -0.091 0.000 2.916 3280 T HA 0.717 5.067 4.350 -0.001 0.000 0.298 3280 T C -0.428 174.074 174.700 -0.331 0.000 1.031 3280 T CA -0.737 61.252 62.100 -0.185 0.000 0.993 3280 T CB 2.327 71.086 68.868 -0.181 0.000 1.045 3280 T HN 0.708 nan 8.240 nan 0.000 0.454 3281 G N 0.994 109.532 108.800 -0.438 0.000 2.725 3281 G HA2 0.743 4.702 3.960 -0.001 0.000 0.288 3281 G HA3 0.743 4.702 3.960 -0.001 0.000 0.288 3281 G C -1.981 172.490 174.900 -0.716 0.000 1.399 3281 G CA -0.702 44.075 45.100 -0.539 0.000 0.859 3281 G HN 0.483 nan 8.290 nan 0.000 0.479 3282 F N 0.340 120.192 119.950 -0.162 0.000 2.477 3282 F HA 0.541 5.067 4.527 -0.001 0.000 0.335 3282 F C 0.715 176.333 175.800 -0.304 0.000 1.130 3282 F CA -0.887 56.922 58.000 -0.318 0.000 0.948 3282 F CB 2.073 40.782 39.000 -0.484 0.000 1.154 3282 F HN 0.088 nan 8.300 nan 0.000 0.439 3283 R N 4.002 124.432 120.500 -0.116 0.000 2.298 3283 R HA 0.268 4.607 4.340 -0.001 0.000 0.310 3283 R C -2.422 173.815 176.300 -0.103 0.000 1.068 3283 R CA -1.656 54.389 56.100 -0.091 0.000 0.957 3283 R CB 0.455 30.743 30.300 -0.020 0.000 1.003 3283 R HN 0.247 nan 8.270 nan 0.000 0.454 3284 P HA 0.024 nan 4.420 nan 0.000 0.263 3284 P C -0.385 176.943 177.300 0.047 0.000 1.601 3284 P CA -0.013 63.066 63.100 -0.035 0.000 1.161 3284 P CB 0.362 32.085 31.700 0.039 0.000 1.730 3285 V N 5.441 125.383 119.914 0.046 0.000 2.530 3285 V HA 0.303 4.422 4.120 -0.001 0.000 0.282 3285 V C 0.967 177.143 176.094 0.136 0.000 1.048 3285 V CA 0.071 62.458 62.300 0.144 0.000 0.997 3285 V CB 0.373 32.305 31.823 0.182 0.000 0.987 3285 V HN 0.463 nan 8.190 nan 0.000 0.477 3286 R N 4.244 124.839 120.500 0.159 0.000 2.643 3286 R HA 0.354 4.693 4.340 -0.001 0.000 0.269 3286 R C -1.970 174.415 176.300 0.141 0.000 1.037 3286 R CA -1.425 54.753 56.100 0.130 0.000 0.894 3286 R CB 2.513 32.870 30.300 0.094 0.000 1.238 3286 R HN 0.407 nan 8.270 nan 0.000 0.459 3287 P HA -0.212 nan 4.420 nan 0.000 0.219 3287 P C -0.587 176.783 177.300 0.116 0.000 1.144 3287 P CA 1.434 64.595 63.100 0.101 0.000 0.806 3287 P CB 0.314 32.053 31.700 0.066 0.000 0.771 3288 Q N -2.687 117.172 119.800 0.098 0.000 2.647 3288 Q HA 0.476 4.815 4.340 -0.001 0.000 0.283 3288 Q C -1.117 174.895 176.000 0.021 0.000 0.943 3288 Q CA -0.916 54.942 55.803 0.092 0.000 0.813 3288 Q CB 0.244 29.021 28.738 0.065 0.000 1.477 3288 Q HN -0.182 nan 8.270 nan 0.000 0.393 3289 I N 1.604 122.175 120.570 0.002 0.000 2.533 3289 I HA 0.147 4.316 4.170 -0.001 0.000 0.284 3289 I C 0.379 176.380 176.117 -0.193 0.000 1.109 3289 I CA -0.205 60.990 61.300 -0.175 0.000 1.412 3289 I CB 0.594 38.437 38.000 -0.262 0.000 1.396 3289 I HN 0.572 nan 8.210 nan 0.000 0.543 3290 R N 6.527 126.788 120.500 -0.398 0.000 3.247 3290 R HA 0.209 4.548 4.340 -0.001 0.000 0.212 3290 R C -1.203 174.923 176.300 -0.290 0.000 1.604 3290 R CA -0.215 55.614 56.100 -0.452 0.000 1.279 3290 R CB -0.353 29.367 30.300 -0.967 0.000 1.277 3290 R HN 0.435 nan 8.270 nan 0.000 0.669 3291 L N 4.491 125.642 121.223 -0.120 0.000 2.301 3291 L HA 0.459 4.798 4.340 -0.001 0.000 0.278 3291 L C -0.984 175.899 176.870 0.022 0.000 1.022 3291 L CA -0.014 54.793 54.840 -0.055 0.000 0.854 3291 L CB 0.387 42.365 42.059 -0.136 0.000 1.226 3291 L HN 0.802 nan 8.230 nan 0.000 0.429 3292 E N 3.531 123.759 120.200 0.048 0.000 2.429 3292 E HA 0.439 4.788 4.350 -0.001 0.000 0.277 3292 E C -1.314 175.349 176.600 0.105 0.000 1.130 3292 E CA -1.123 55.318 56.400 0.068 0.000 0.875 3292 E CB 1.228 30.957 29.700 0.048 0.000 1.443 3292 E HN 0.396 nan 8.360 nan 0.000 0.444 3293 R N -0.214 120.335 120.500 0.082 0.000 2.700 3293 R HA 0.589 4.928 4.340 -0.001 0.000 0.253 3293 R C -0.757 175.600 176.300 0.094 0.000 1.091 3293 R CA -0.702 55.443 56.100 0.074 0.000 1.104 3293 R CB 1.326 31.643 30.300 0.028 0.000 1.202 3293 R HN 0.626 nan 8.270 nan 0.000 0.532 3294 E N 1.214 121.452 120.200 0.065 0.000 2.683 3294 E HA 0.020 4.369 4.350 -0.001 0.000 0.339 3294 E C -1.268 175.338 176.600 0.011 0.000 0.921 3294 E CA -0.472 55.967 56.400 0.064 0.000 0.786 3294 E CB 0.972 30.771 29.700 0.165 0.000 1.363 3294 E HN 0.382 nan 8.360 nan 0.000 0.401 3295 Q N 2.211 122.013 119.800 0.004 0.000 2.421 3295 Q HA 0.336 4.676 4.340 -0.001 0.000 0.255 3295 Q C -0.509 175.489 176.000 -0.003 0.000 1.013 3295 Q CA -0.132 55.666 55.803 -0.008 0.000 0.895 3295 Q CB 1.068 29.804 28.738 -0.004 0.000 1.271 3295 Q HN 0.406 nan 8.270 nan 0.000 0.460 3296 L N 1.738 122.957 121.223 -0.007 0.000 2.639 3296 L HA 0.234 4.573 4.340 -0.001 0.000 0.264 3296 L C -1.080 175.802 176.870 0.020 0.000 0.948 3296 L CA -0.427 54.419 54.840 0.011 0.000 0.912 3296 L CB 1.758 43.816 42.059 -0.001 0.000 1.294 3296 L HN 0.458 nan 8.230 nan 0.000 0.412 3297 R N 1.899 122.416 120.500 0.028 0.000 2.976 3297 R HA 0.194 4.533 4.340 -0.001 0.000 0.354 3297 R C -0.487 175.832 176.300 0.030 0.000 0.794 3297 R CA 0.607 56.722 56.100 0.026 0.000 1.085 3297 R CB -0.553 29.763 30.300 0.027 0.000 0.896 3297 R HN 0.567 nan 8.270 nan 0.000 0.393 3298 T N 2.850 117.418 114.554 0.022 0.000 3.060 3298 T HA 0.395 4.744 4.350 -0.001 0.000 0.367 3298 T C 1.134 175.845 174.700 0.017 0.000 1.229 3298 T CA -0.143 61.972 62.100 0.024 0.000 1.104 3298 T CB 1.349 70.231 68.868 0.023 0.000 1.083 3298 T HN 0.740 nan 8.240 nan 0.000 0.524 3299 G N 5.811 114.621 108.800 0.017 0.000 2.723 3299 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.356 3299 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.356 3299 G C -0.895 174.011 174.900 0.009 0.000 1.164 3299 G CA 0.866 45.974 45.100 0.013 0.000 0.939 3299 G HN 0.618 nan 8.290 nan 0.000 0.570 3300 P HA 0.052 nan 4.420 nan 0.000 0.201 3300 P C 2.026 179.327 177.300 0.003 0.000 1.046 3300 P CA 1.995 65.097 63.100 0.004 0.000 0.942 3300 P CB -0.423 31.278 31.700 0.003 0.000 0.733 3301 S N -0.988 114.712 115.700 0.001 0.000 2.907 3301 S HA 0.223 4.692 4.470 -0.001 0.000 0.166 3301 S C 0.275 174.876 174.600 0.001 0.000 0.956 3301 S CA 0.275 58.474 58.200 -0.001 0.000 1.531 3301 S CB -0.523 62.674 63.200 -0.006 0.000 0.573 3301 S HN 0.465 nan 8.310 nan 0.000 0.488 3302 N N -0.286 118.412 118.700 -0.002 0.000 2.823 3302 N HA 0.342 5.081 4.740 -0.001 0.000 0.251 3302 N C -1.599 173.907 175.510 -0.007 0.000 1.392 3302 N CA -0.759 52.290 53.050 -0.001 0.000 0.864 3302 N CB 0.909 39.395 38.487 -0.002 0.000 1.481 3302 N HN 0.404 nan 8.380 nan 0.000 0.508 3303 T N -2.162 112.388 114.554 -0.006 0.000 2.824 3303 T HA 0.465 4.815 4.350 -0.001 0.000 0.280 3303 T C -0.344 174.334 174.700 -0.037 0.000 0.995 3303 T CA -0.828 61.264 62.100 -0.013 0.000 1.009 3303 T CB 1.226 70.096 68.868 0.003 0.000 0.955 3303 T HN 0.376 nan 8.240 nan 0.000 0.452 3304 E N 1.757 121.932 120.200 -0.041 0.000 2.373 3304 E HA 0.386 4.735 4.350 -0.001 0.000 0.267 3304 E C -0.509 176.034 176.600 -0.095 0.000 1.032 3304 E CA -0.277 56.088 56.400 -0.058 0.000 0.889 3304 E CB 1.531 31.202 29.700 -0.049 0.000 0.984 3304 E HN 0.551 nan 8.360 nan 0.000 0.425 3305 V N 4.322 124.151 119.914 -0.142 0.000 2.577 3305 V HA 0.416 4.536 4.120 -0.001 0.000 0.303 3305 V C -0.004 175.939 176.094 -0.252 0.000 1.042 3305 V CA -0.679 61.449 62.300 -0.286 0.000 0.872 3305 V CB 1.507 33.018 31.823 -0.520 0.000 0.998 3305 V HN 0.473 nan 8.190 nan 0.000 0.423 3306 I N 4.091 124.513 120.570 -0.248 0.000 2.362 3306 I HA 0.479 4.648 4.170 -0.001 0.000 0.289 3306 I C -0.447 175.546 176.117 -0.207 0.000 0.994 3306 I CA -0.460 60.757 61.300 -0.139 0.000 1.158 3306 I CB 1.294 39.275 38.000 -0.031 0.000 1.315 3306 I HN 0.658 nan 8.210 nan 0.000 0.451 3307 H N 4.549 123.638 119.070 0.032 0.000 2.467 3307 H HA 0.407 4.963 4.556 -0.001 0.000 0.331 3307 H C -0.116 175.245 175.328 0.054 0.000 1.120 3307 H CA -0.468 55.649 56.048 0.115 0.000 1.270 3307 H CB 0.895 30.740 29.762 0.138 0.000 1.466 3307 H HN 0.407 nan 8.280 nan 0.000 0.504 3308 N N 2.250 121.103 118.700 0.254 0.000 2.700 3308 N HA 0.066 4.805 4.740 -0.001 0.000 0.242 3308 N C -1.943 173.796 175.510 0.383 0.000 1.541 3308 N CA -0.522 52.637 53.050 0.182 0.000 0.764 3308 N CB 0.013 38.569 38.487 0.113 0.000 1.319 3308 N HN 0.578 nan 8.380 nan 0.000 0.518 3309 Y N -1.800 118.639 120.300 0.231 0.000 2.677 3309 Y HA 0.760 5.310 4.550 -0.001 0.000 0.334 3309 Y C 0.783 176.744 175.900 0.101 0.000 1.154 3309 Y CA -0.815 57.437 58.100 0.254 0.000 1.070 3309 Y CB 0.844 39.424 38.460 0.200 0.000 1.294 3309 Y HN 0.135 nan 8.280 nan 0.000 0.475 3310 G N 0.999 110.030 108.800 0.384 0.000 2.248 3310 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.252 3310 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.252 3310 G C -0.453 174.421 174.900 -0.044 0.000 1.085 3310 G CA 0.284 45.480 45.100 0.159 0.000 0.845 3310 G HN 1.022 nan 8.290 nan 0.000 0.494 3311 H N -0.070 118.942 119.070 -0.097 0.000 2.543 3311 H HA 0.421 4.976 4.556 -0.001 0.000 0.269 3311 H C 2.152 177.117 175.328 -0.606 0.000 1.005 3311 H CA 1.352 57.182 56.048 -0.362 0.000 1.146 3311 H CB 0.138 29.720 29.762 -0.300 0.000 1.353 3311 H HN 1.352 nan 8.280 nan 0.000 0.595 3312 G N 0.425 109.146 108.800 -0.131 0.000 2.596 3312 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.295 3312 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.295 3312 G C 1.217 176.108 174.900 -0.015 0.000 1.240 3312 G CA 0.125 45.250 45.100 0.042 0.000 0.985 3312 G HN 0.586 nan 8.290 nan 0.000 0.555 3313 G N -0.686 108.208 108.800 0.157 0.000 3.702 3313 G HA2 0.542 4.501 3.960 -0.001 0.000 0.288 3313 G HA3 0.542 4.501 3.960 -0.001 0.000 0.288 3313 G C 0.294 175.130 174.900 -0.107 0.000 1.193 3313 G CA 1.084 46.114 45.100 -0.117 0.000 0.952 3313 G HN 1.577 nan 8.290 nan 0.000 0.544 3314 Y N -3.510 116.723 120.300 -0.112 0.000 2.750 3314 Y HA 0.432 4.982 4.550 -0.001 0.000 0.247 3314 Y C 1.380 177.233 175.900 -0.079 0.000 1.098 3314 Y CA -1.059 56.936 58.100 -0.175 0.000 1.120 3314 Y CB -0.083 38.194 38.460 -0.306 0.000 1.210 3314 Y HN -0.052 nan 8.280 nan 0.000 0.601 3315 G N 1.866 110.560 108.800 -0.177 0.000 2.491 3315 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.218 3315 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.218 3315 G C 1.347 176.270 174.900 0.039 0.000 1.180 3315 G CA 1.488 46.531 45.100 -0.095 0.000 0.774 3315 G HN 0.339 nan 8.290 nan 0.000 0.562 3316 L N 1.040 122.275 121.223 0.020 0.000 2.083 3316 L HA -0.061 4.278 4.340 -0.001 0.000 0.209 3316 L C 3.063 180.046 176.870 0.189 0.000 1.083 3316 L CA 1.962 56.846 54.840 0.073 0.000 0.752 3316 L CB -1.700 40.339 42.059 -0.034 0.000 0.899 3316 L HN 0.218 nan 8.230 nan 0.000 0.433 3317 T N -0.614 113.958 114.554 0.030 0.000 2.881 3317 T HA -0.125 4.225 4.350 -0.001 0.000 0.270 3317 T C 1.821 176.572 174.700 0.084 0.000 1.068 3317 T CA 1.091 63.077 62.100 -0.191 0.000 1.131 3317 T CB 0.121 68.625 68.868 -0.607 0.000 0.871 3317 T HN 0.239 nan 8.240 nan 0.000 0.479 3318 I N 0.151 120.855 120.570 0.223 0.000 4.240 3318 I HA 0.125 4.294 4.170 -0.001 0.000 0.331 3318 I C 1.956 178.218 176.117 0.242 0.000 1.381 3318 I CA -0.062 61.423 61.300 0.309 0.000 1.136 3318 I CB 0.201 38.455 38.000 0.424 0.000 1.137 3318 I HN 0.291 nan 8.210 nan 0.000 0.411 3319 H N -0.188 119.004 119.070 0.205 0.000 2.319 3319 H HA -0.298 4.258 4.556 -0.001 0.000 0.297 3319 H C 2.028 177.482 175.328 0.211 0.000 1.097 3319 H CA 2.319 58.459 56.048 0.153 0.000 1.285 3319 H CB -0.788 29.079 29.762 0.176 0.000 1.368 3319 H HN 0.508 nan 8.280 nan 0.000 0.495 3320 W N 2.389 123.074 121.300 -1.026 0.000 2.388 3320 W HA -0.061 4.598 4.660 -0.001 0.000 0.294 3320 W C 2.409 178.755 176.519 -0.288 0.000 1.212 3320 W CA 1.234 58.174 57.345 -0.674 0.000 1.271 3320 W CB -0.287 28.789 29.460 -0.640 0.000 1.126 3320 W HN 0.478 nan 8.180 nan 0.000 0.535 3321 G N 0.346 109.111 108.800 -0.058 0.000 2.459 3321 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.217 3321 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.217 3321 G C 1.440 175.999 174.900 -0.570 0.000 1.183 3321 G CA 1.505 46.556 45.100 -0.082 0.000 0.776 3321 G HN 0.320 nan 8.290 nan 0.000 0.552 3322 C N 0.955 119.916 119.300 -0.565 0.000 2.429 3322 C HA 0.203 4.662 4.460 -0.001 0.000 0.277 3322 C C 3.548 178.261 174.990 -0.462 0.000 1.262 3322 C CA 0.727 59.325 59.018 -0.700 0.000 1.733 3322 C CB -1.017 26.566 27.740 -0.263 0.000 2.010 3322 C HN 0.572 nan 8.230 nan 0.000 0.483 3323 A N 0.430 123.030 122.820 -0.367 0.000 1.902 3323 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 3323 A C 2.133 179.446 177.584 -0.451 0.000 1.181 3323 A CA 1.451 53.269 52.037 -0.365 0.000 0.623 3323 A CB -0.643 18.132 19.000 -0.374 0.000 0.818 3323 A HN 0.619 nan 8.150 nan 0.000 0.443 3324 L N -0.890 119.982 121.223 -0.585 0.000 2.131 3324 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 3324 L C 2.636 179.371 176.870 -0.226 0.000 1.092 3324 L CA 1.666 56.238 54.840 -0.447 0.000 0.759 3324 L CB -0.351 41.436 42.059 -0.454 0.000 0.903 3324 L HN 0.534 nan 8.230 nan 0.000 0.435 3325 E N 0.592 120.640 120.200 -0.254 0.000 2.107 3325 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 3325 E C 2.104 178.651 176.600 -0.089 0.000 0.982 3325 E CA 1.368 57.688 56.400 -0.134 0.000 0.809 3325 E CB -0.053 29.498 29.700 -0.247 0.000 0.756 3325 E HN 0.333 nan 8.360 nan 0.000 0.459 3326 A N 0.757 123.491 122.820 -0.145 0.000 1.933 3326 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 3326 A C 2.409 180.002 177.584 0.015 0.000 1.175 3326 A CA 1.988 53.982 52.037 -0.072 0.000 0.628 3326 A CB -0.907 18.030 19.000 -0.106 0.000 0.814 3326 A HN 0.399 nan 8.150 nan 0.000 0.444 3327 A N -0.545 122.285 122.820 0.016 0.000 1.897 3327 A HA -0.069 4.250 4.320 -0.001 0.000 0.215 3327 A C 2.122 179.878 177.584 0.287 0.000 1.181 3327 A CA 1.519 53.670 52.037 0.191 0.000 0.620 3327 A CB -0.389 18.702 19.000 0.151 0.000 0.821 3327 A HN 0.415 nan 8.150 nan 0.000 0.443 3328 K N -0.326 120.168 120.400 0.156 0.000 2.015 3328 K HA -0.186 4.133 4.320 -0.001 0.000 0.216 3328 K C 1.942 178.611 176.600 0.116 0.000 1.052 3328 K CA 1.838 58.210 56.287 0.141 0.000 0.937 3328 K CB -0.619 31.934 32.500 0.089 0.000 0.719 3328 K HN 0.502 nan 8.250 nan 0.000 0.446 3329 L N -0.209 121.067 121.223 0.089 0.000 2.043 3329 L HA -0.223 4.116 4.340 -0.001 0.000 0.212 3329 L C 2.465 179.364 176.870 0.049 0.000 1.075 3329 L CA 1.220 56.097 54.840 0.060 0.000 0.752 3329 L CB -0.437 41.654 42.059 0.053 0.000 0.891 3329 L HN 0.141 nan 8.230 nan 0.000 0.432 3330 F N 0.689 120.591 119.950 -0.081 0.000 2.171 3330 F HA -0.113 4.413 4.527 -0.001 0.000 0.300 3330 F C 2.190 177.816 175.800 -0.291 0.000 1.090 3330 F CA 1.327 59.219 58.000 -0.181 0.000 1.293 3330 F CB -0.584 38.295 39.000 -0.202 0.000 1.013 3330 F HN -0.016 nan 8.300 nan 0.000 0.486 3331 G N 0.785 109.498 108.800 -0.146 0.000 2.459 3331 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 3331 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 3331 G C 1.822 176.625 174.900 -0.161 0.000 1.183 3331 G CA 0.692 45.710 45.100 -0.137 0.000 0.776 3331 G HN 0.196 nan 8.290 nan 0.000 0.552 3332 R N 0.392 120.841 120.500 -0.085 0.000 2.083 3332 R HA -0.019 4.321 4.340 -0.001 0.000 0.237 3332 R C 2.600 178.815 176.300 -0.143 0.000 1.137 3332 R CA 1.001 57.053 56.100 -0.079 0.000 0.951 3332 R CB -1.051 29.229 30.300 -0.034 0.000 0.851 3332 R HN 0.460 nan 8.270 nan 0.000 0.434 3333 I N 1.138 121.583 120.570 -0.208 0.000 2.264 3333 I HA -0.295 3.874 4.170 -0.001 0.000 0.248 3333 I C 2.429 178.361 176.117 -0.310 0.000 1.111 3333 I CA 1.165 62.315 61.300 -0.249 0.000 1.382 3333 I CB -0.335 37.486 38.000 -0.299 0.000 1.060 3333 I HN 0.088 nan 8.210 nan 0.000 0.418 3334 L N 0.659 121.624 121.223 -0.431 0.000 1.994 3334 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 3334 L C 2.796 179.546 176.870 -0.201 0.000 1.071 3334 L CA 1.950 56.563 54.840 -0.377 0.000 0.745 3334 L CB -0.874 40.919 42.059 -0.444 0.000 0.892 3334 L HN 0.408 nan 8.230 nan 0.000 0.431 3335 E N 0.381 120.493 120.200 -0.146 0.000 2.160 3335 E HA -0.269 4.081 4.350 -0.001 0.000 0.195 3335 E C 1.677 178.231 176.600 -0.077 0.000 0.991 3335 E CA 1.446 57.795 56.400 -0.085 0.000 0.810 3335 E CB -0.283 29.385 29.700 -0.053 0.000 0.742 3335 E HN 0.600 nan 8.360 nan 0.000 0.466 3336 E N 0.949 121.095 120.200 -0.090 0.000 2.047 3336 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 3336 E C 1.799 178.354 176.600 -0.073 0.000 0.987 3336 E CA 1.001 57.357 56.400 -0.073 0.000 0.799 3336 E CB 0.016 29.672 29.700 -0.074 0.000 0.752 3336 E HN -0.011 nan 8.360 nan 0.000 0.449 3337 K N 1.247 121.588 120.400 -0.098 0.000 2.589 3337 K HA -0.049 4.271 4.320 -0.001 0.000 0.192 3337 K C -0.228 176.329 176.600 -0.072 0.000 1.029 3337 K CA 0.339 56.574 56.287 -0.087 0.000 1.031 3337 K CB -0.180 32.252 32.500 -0.114 0.000 0.821 3337 K HN -0.009 nan 8.250 nan 0.000 0.502 3338 K N -0.587 119.773 120.400 -0.068 0.000 2.948 3338 K HA -0.207 4.112 4.320 -0.001 0.000 0.253 3338 K C -0.390 176.180 176.600 -0.051 0.000 0.970 3338 K CA 0.469 56.725 56.287 -0.051 0.000 0.716 3338 K CB -1.197 31.281 32.500 -0.036 0.000 1.249 3338 K HN 0.054 nan 8.250 nan 0.000 0.483 3339 L N 0.574 121.755 121.223 -0.071 0.000 3.073 3339 L HA 0.117 4.457 4.340 -0.001 0.000 0.242 3339 L C 0.371 177.200 176.870 -0.068 0.000 1.317 3339 L CA 0.091 54.893 54.840 -0.064 0.000 1.081 3339 L CB 0.456 42.468 42.059 -0.078 0.000 1.456 3339 L HN 0.297 nan 8.230 nan 0.000 0.525 3340 S N 0.000 115.669 115.700 -0.052 0.000 2.498 3340 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 3340 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 3340 S CB 0.000 63.176 63.200 -0.041 0.000 0.593 3340 S HN 0.000 nan 8.310 nan 0.000 0.517