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 2e49_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 0.000 176.333 176.300 0.055 0.000 1.140 3001 M CA 0.000 55.326 55.300 0.044 0.000 0.988 3001 M CB 0.000 32.638 32.600 0.064 0.000 1.302 3002 R N 2.716 123.242 120.500 0.044 0.000 2.589 3002 R HA 0.960 5.299 4.340 -0.000 0.000 0.293 3002 R C -1.248 175.067 176.300 0.026 0.000 0.963 3002 R CA -1.126 54.990 56.100 0.026 0.000 0.905 3002 R CB 2.383 32.688 30.300 0.008 0.000 1.144 3002 R HN 0.542 nan 8.270 nan 0.000 0.459 3003 V N 2.886 122.790 119.914 -0.017 0.000 2.525 3003 V HA 0.318 4.438 4.120 -0.000 0.000 0.299 3003 V C -0.622 175.391 176.094 -0.134 0.000 1.034 3003 V CA -0.826 61.439 62.300 -0.059 0.000 0.863 3003 V CB 2.074 33.830 31.823 -0.111 0.000 0.999 3003 V HN 0.452 nan 8.190 nan 0.000 0.423 3004 V N 5.625 125.448 119.914 -0.151 0.000 2.326 3004 V HA 0.387 4.506 4.120 -0.000 0.000 0.281 3004 V C -0.118 175.852 176.094 -0.208 0.000 1.015 3004 V CA -0.590 61.556 62.300 -0.255 0.000 0.823 3004 V CB 1.783 33.429 31.823 -0.294 0.000 1.009 3004 V HN 0.635 nan 8.190 nan 0.000 0.436 3005 V N 6.525 126.303 119.914 -0.227 0.000 2.432 3005 V HA 0.438 4.558 4.120 -0.000 0.000 0.275 3005 V C 0.153 176.174 176.094 -0.122 0.000 1.043 3005 V CA -0.301 61.902 62.300 -0.160 0.000 0.925 3005 V CB 1.310 33.033 31.823 -0.167 0.000 0.985 3005 V HN 0.638 nan 8.190 nan 0.000 0.466 3006 I N 4.149 124.692 120.570 -0.045 0.000 2.353 3006 I HA 0.768 4.938 4.170 -0.000 0.000 0.293 3006 I C 0.726 176.856 176.117 0.021 0.000 0.992 3006 I CA -0.138 61.176 61.300 0.024 0.000 1.268 3006 I CB 1.334 39.392 38.000 0.097 0.000 1.387 3006 I HN 0.882 nan 8.210 nan 0.000 0.478 3007 G N 4.218 113.022 108.800 0.006 0.000 2.906 3007 G HA2 0.174 4.134 3.960 -0.000 0.000 0.686 3007 G HA3 0.174 4.134 3.960 -0.000 0.000 0.686 3007 G C -0.535 174.334 174.900 -0.051 0.000 1.170 3007 G CA -0.318 44.779 45.100 -0.006 0.000 0.775 3007 G HN 1.002 nan 8.290 nan 0.000 0.630 3008 A N 1.311 124.067 122.820 -0.107 0.000 2.855 3008 A HA 0.815 5.135 4.320 -0.000 0.000 0.301 3008 A C 1.158 178.754 177.584 0.020 0.000 1.076 3008 A CA 1.088 53.096 52.037 -0.049 0.000 1.004 3008 A CB -0.080 18.793 19.000 -0.213 0.000 1.152 3008 A HN 2.139 nan 8.150 nan 0.000 0.531 3009 G N -1.395 107.421 108.800 0.027 0.000 2.583 3009 G HA2 0.390 4.350 3.960 -0.000 0.000 0.280 3009 G HA3 0.390 4.350 3.960 -0.000 0.000 0.280 3009 G C 1.071 175.991 174.900 0.034 0.000 1.376 3009 G CA 0.380 45.505 45.100 0.041 0.000 1.043 3009 G HN 0.476 nan 8.290 nan 0.000 0.538 3010 V N -0.101 119.830 119.914 0.028 0.000 2.392 3010 V HA -0.134 3.985 4.120 -0.000 0.000 0.249 3010 V C 2.521 178.643 176.094 0.046 0.000 1.059 3010 V CA 1.598 63.921 62.300 0.038 0.000 1.051 3010 V CB -0.562 31.287 31.823 0.042 0.000 0.658 3010 V HN 0.503 nan 8.190 nan 0.000 0.455 3011 I N 0.955 121.517 120.570 -0.013 0.000 2.141 3011 I HA -0.028 4.141 4.170 -0.000 0.000 0.236 3011 I C 2.823 178.945 176.117 0.008 0.000 1.071 3011 I CA 1.706 62.986 61.300 -0.034 0.000 1.345 3011 I CB -2.337 35.576 38.000 -0.145 0.000 1.066 3011 I HN 0.366 nan 8.210 nan 0.000 0.406 3012 G N 1.910 110.715 108.800 0.008 0.000 2.599 3012 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 3012 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 3012 G C 1.807 176.707 174.900 0.001 0.000 1.193 3012 G CA 1.190 46.290 45.100 0.001 0.000 0.778 3012 G HN 0.346 nan 8.290 nan 0.000 0.589 3013 L N 1.161 122.402 121.223 0.031 0.000 2.072 3013 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 3013 L C 3.375 180.277 176.870 0.053 0.000 1.079 3013 L CA 1.410 56.275 54.840 0.042 0.000 0.752 3013 L CB -0.698 41.395 42.059 0.057 0.000 0.906 3013 L HN 0.476 nan 8.230 nan 0.000 0.436 3014 S N -0.674 115.095 115.700 0.114 0.000 2.374 3014 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 3014 S C 1.913 176.570 174.600 0.095 0.000 1.037 3014 S CA 1.953 60.316 58.200 0.271 0.000 1.024 3014 S CB -0.984 62.529 63.200 0.521 0.000 0.861 3014 S HN 0.418 nan 8.310 nan 0.000 0.456 3015 T N 2.905 117.458 114.554 -0.002 0.000 2.668 3015 T HA 0.160 4.510 4.350 -0.000 0.000 0.262 3015 T C 2.298 176.936 174.700 -0.103 0.000 1.045 3015 T CA 1.280 63.322 62.100 -0.097 0.000 1.152 3015 T CB -1.081 67.727 68.868 -0.100 0.000 0.864 3015 T HN 0.641 nan 8.240 nan 0.000 0.419 3016 A N 0.965 123.731 122.820 -0.089 0.000 2.042 3016 A HA -0.088 4.231 4.320 -0.000 0.000 0.222 3016 A C 2.189 179.731 177.584 -0.069 0.000 1.167 3016 A CA 1.433 53.403 52.037 -0.112 0.000 0.649 3016 A CB -0.785 18.137 19.000 -0.129 0.000 0.809 3016 A HN 0.405 nan 8.150 nan 0.000 0.457 3017 L N -1.160 120.048 121.223 -0.024 0.000 2.051 3017 L HA -0.048 4.292 4.340 -0.000 0.000 0.202 3017 L C 2.500 179.390 176.870 0.033 0.000 1.097 3017 L CA 2.073 56.924 54.840 0.018 0.000 0.762 3017 L CB -1.071 41.056 42.059 0.114 0.000 0.913 3017 L HN 0.424 nan 8.230 nan 0.000 0.447 3018 C N -0.045 119.243 119.300 -0.019 0.000 2.395 3018 C HA -0.216 4.244 4.460 -0.000 0.000 0.287 3018 C C 2.658 177.601 174.990 -0.079 0.000 1.281 3018 C CA 1.237 60.152 59.018 -0.172 0.000 1.818 3018 C CB -1.183 26.214 27.740 -0.571 0.000 1.990 3018 C HN 0.575 nan 8.230 nan 0.000 0.516 3019 I N -1.070 119.470 120.570 -0.051 0.000 2.260 3019 I HA -0.095 4.074 4.170 -0.000 0.000 0.237 3019 I C 2.715 178.893 176.117 0.101 0.000 1.075 3019 I CA 1.481 62.791 61.300 0.016 0.000 1.376 3019 I CB -0.943 36.885 38.000 -0.287 0.000 1.107 3019 I HN 0.445 nan 8.210 nan 0.000 0.420 3020 H N 1.644 120.660 119.070 -0.089 0.000 2.289 3020 H HA -0.297 4.259 4.556 -0.000 0.000 0.294 3020 H C 2.014 177.215 175.328 -0.210 0.000 1.095 3020 H CA 2.517 58.505 56.048 -0.100 0.000 1.256 3020 H CB -0.204 29.478 29.762 -0.134 0.000 1.359 3020 H HN 0.416 nan 8.280 nan 0.000 0.487 3021 E N 0.264 120.466 120.200 0.002 0.000 2.086 3021 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 3021 E C 2.597 179.096 176.600 -0.168 0.000 1.012 3021 E CA 1.753 58.062 56.400 -0.152 0.000 0.812 3021 E CB -0.174 29.538 29.700 0.020 0.000 0.743 3021 E HN 0.422 nan 8.360 nan 0.000 0.453 3022 R N -1.586 118.818 120.500 -0.160 0.000 2.240 3022 R HA -0.038 4.302 4.340 -0.000 0.000 0.203 3022 R C 0.693 176.630 176.300 -0.606 0.000 1.011 3022 R CA 0.911 56.764 56.100 -0.411 0.000 1.007 3022 R CB 0.216 30.141 30.300 -0.625 0.000 0.911 3022 R HN 0.281 nan 8.270 nan 0.000 0.468 3023 Y N -1.878 118.469 120.300 0.079 0.000 2.563 3023 Y HA 0.143 4.692 4.550 -0.001 0.000 0.250 3023 Y C 1.239 177.192 175.900 0.089 0.000 1.126 3023 Y CA -0.235 57.933 58.100 0.114 0.000 1.231 3023 Y CB 0.089 38.673 38.460 0.207 0.000 1.288 3023 Y HN 0.260 nan 8.280 nan 0.000 0.537 3024 H N -1.704 117.281 119.070 -0.143 0.000 2.489 3024 H HA -0.081 4.475 4.556 -0.000 0.000 0.293 3024 H C 1.900 177.169 175.328 -0.099 0.000 1.066 3024 H CA 1.080 56.976 56.048 -0.253 0.000 1.305 3024 H CB 0.066 29.426 29.762 -0.671 0.000 1.386 3024 H HN 0.229 nan 8.280 nan 0.000 0.551 3025 S N 1.516 117.113 115.700 -0.171 0.000 2.327 3025 S HA -0.098 4.371 4.470 -0.000 0.000 0.213 3025 S C 1.840 176.404 174.600 -0.060 0.000 1.032 3025 S CA 0.515 58.580 58.200 -0.224 0.000 0.960 3025 S CB -0.700 62.395 63.200 -0.176 0.000 0.900 3025 S HN 0.391 nan 8.310 nan 0.000 0.469 3026 V N -0.757 119.170 119.914 0.021 0.000 3.292 3026 V HA 0.606 4.726 4.120 -0.000 0.000 0.372 3026 V C -0.003 176.142 176.094 0.085 0.000 1.249 3026 V CA -0.117 62.215 62.300 0.053 0.000 1.378 3026 V CB -1.030 30.837 31.823 0.072 0.000 1.245 3026 V HN 0.469 nan 8.190 nan 0.000 0.467 3027 L N 0.336 121.601 121.223 0.069 0.000 2.416 3027 L HA 0.178 4.518 4.340 -0.000 0.000 0.286 3027 L C 1.185 178.088 176.870 0.054 0.000 1.340 3027 L CA -0.084 54.803 54.840 0.079 0.000 0.633 3027 L CB 0.899 43.047 42.059 0.149 0.000 0.934 3027 L HN 0.293 nan 8.230 nan 0.000 0.516 3028 Q N -0.613 119.202 119.800 0.024 0.000 2.133 3028 Q HA -0.129 4.211 4.340 -0.000 0.000 0.208 3028 Q C -1.191 174.825 176.000 0.027 0.000 0.991 3028 Q CA 1.415 57.225 55.803 0.011 0.000 0.867 3028 Q CB -1.582 27.156 28.738 0.000 0.000 0.911 3028 Q HN 0.362 nan 8.270 nan 0.000 0.417 3029 P HA 0.116 nan 4.420 nan 0.000 0.226 3029 P C -1.180 176.150 177.300 0.049 0.000 1.783 3029 P CA 0.032 63.153 63.100 0.035 0.000 0.980 3029 P CB -0.174 31.542 31.700 0.027 0.000 1.967 3030 L N 1.537 122.795 121.223 0.057 0.000 2.371 3030 L HA 0.436 4.776 4.340 -0.000 0.000 0.262 3030 L C -0.751 176.158 176.870 0.065 0.000 1.054 3030 L CA -0.719 54.164 54.840 0.071 0.000 0.924 3030 L CB 0.514 42.624 42.059 0.085 0.000 1.295 3030 L HN -0.092 nan 8.230 nan 0.000 0.441 3031 D N 3.994 124.425 120.400 0.052 0.000 2.329 3031 D HA 0.484 5.123 4.640 -0.000 0.000 0.232 3031 D C -0.733 175.576 176.300 0.016 0.000 1.088 3031 D CA -0.116 53.911 54.000 0.045 0.000 0.835 3031 D CB 0.836 41.662 40.800 0.043 0.000 1.078 3031 D HN 0.462 nan 8.370 nan 0.000 0.495 3032 I N 4.277 124.851 120.570 0.007 0.000 2.406 3032 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 3032 I C -0.041 176.028 176.117 -0.081 0.000 0.999 3032 I CA -0.869 60.397 61.300 -0.058 0.000 1.124 3032 I CB 1.565 39.524 38.000 -0.068 0.000 1.289 3032 I HN 0.354 nan 8.210 nan 0.000 0.441 3033 K N 4.926 125.243 120.400 -0.139 0.000 2.395 3033 K HA 0.879 5.199 4.320 -0.000 0.000 0.245 3033 K C -1.528 174.887 176.600 -0.308 0.000 1.017 3033 K CA -0.927 55.273 56.287 -0.146 0.000 0.852 3033 K CB 2.711 35.237 32.500 0.044 0.000 1.311 3033 K HN 0.259 nan 8.250 nan 0.000 0.452 3034 V N 1.953 121.694 119.914 -0.288 0.000 2.525 3034 V HA 0.306 4.426 4.120 -0.000 0.000 0.299 3034 V C -1.634 174.540 176.094 0.134 0.000 1.034 3034 V CA -0.818 61.325 62.300 -0.262 0.000 0.863 3034 V CB 0.999 32.537 31.823 -0.476 0.000 0.999 3034 V HN 0.594 nan 8.190 nan 0.000 0.423 3035 Y N 2.678 123.043 120.300 0.108 0.000 2.342 3035 Y HA 0.861 5.410 4.550 -0.001 0.000 0.334 3035 Y C 0.411 176.317 175.900 0.009 0.000 1.067 3035 Y CA -1.435 56.763 58.100 0.164 0.000 1.128 3035 Y CB 1.973 40.493 38.460 0.100 0.000 1.200 3035 Y HN 0.760 nan 8.280 nan 0.000 0.464 3036 A N 1.876 124.758 122.820 0.103 0.000 2.566 3036 A HA 0.423 4.743 4.320 -0.000 0.000 0.297 3036 A C 0.087 177.559 177.584 -0.187 0.000 1.059 3036 A CA -0.603 51.267 52.037 -0.278 0.000 0.691 3036 A CB 1.230 19.689 19.000 -0.902 0.000 1.282 3036 A HN 0.639 nan 8.150 nan 0.000 0.401 3037 D N 0.569 120.885 120.400 -0.140 0.000 2.123 3037 D HA -0.002 4.638 4.640 -0.000 0.000 0.200 3037 D C 0.485 176.758 176.300 -0.044 0.000 0.976 3037 D CA 1.434 55.387 54.000 -0.078 0.000 0.831 3037 D CB 0.194 40.910 40.800 -0.141 0.000 0.974 3037 D HN 0.567 nan 8.370 nan 0.000 0.469 3038 R N -0.358 120.078 120.500 -0.108 0.000 2.483 3038 R HA 0.376 4.716 4.340 -0.000 0.000 0.303 3038 R C -0.907 175.368 176.300 -0.041 0.000 0.987 3038 R CA -0.657 55.441 56.100 -0.004 0.000 0.881 3038 R CB 1.287 31.593 30.300 0.010 0.000 1.177 3038 R HN -0.035 nan 8.270 nan 0.000 0.451 3039 F N 0.073 120.062 119.950 0.066 0.000 2.272 3039 F HA 0.162 4.689 4.527 -0.001 0.000 0.316 3039 F C 2.482 178.312 175.800 0.049 0.000 1.068 3039 F CA -0.059 57.983 58.000 0.070 0.000 1.114 3039 F CB 0.525 39.556 39.000 0.052 0.000 1.611 3039 F HN 0.492 nan 8.300 nan 0.000 0.519 3040 T N 0.654 115.385 114.554 0.295 0.000 2.718 3040 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 3040 T C -0.931 173.828 174.700 0.099 0.000 1.033 3040 T CA 2.066 64.253 62.100 0.145 0.000 1.151 3040 T CB -1.007 67.911 68.868 0.083 0.000 0.853 3040 T HN 0.229 nan 8.240 nan 0.000 0.466 3041 P HA 0.196 nan 4.420 nan 0.000 0.231 3041 P C 0.235 177.577 177.300 0.070 0.000 1.168 3041 P CA 0.710 63.849 63.100 0.066 0.000 0.779 3041 P CB -0.225 31.505 31.700 0.050 0.000 0.844 3042 L N -2.938 118.339 121.223 0.090 0.000 2.574 3042 L HA 0.570 4.909 4.340 -0.000 0.000 0.258 3042 L C -0.315 176.619 176.870 0.107 0.000 1.520 3042 L CA -0.569 54.322 54.840 0.085 0.000 0.775 3042 L CB 0.397 42.502 42.059 0.077 0.000 1.028 3042 L HN -0.253 nan 8.230 nan 0.000 0.516 3043 T N -5.269 109.349 114.554 0.107 0.000 2.858 3043 T HA 0.402 4.752 4.350 -0.000 0.000 0.285 3043 T C 0.803 175.567 174.700 0.107 0.000 1.052 3043 T CA 0.006 62.192 62.100 0.143 0.000 1.009 3043 T CB 1.679 70.623 68.868 0.126 0.000 1.241 3043 T HN 0.060 nan 8.240 nan 0.000 0.542 3044 T N 0.954 115.571 114.554 0.105 0.000 2.867 3044 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 3044 T C 1.973 176.680 174.700 0.012 0.000 1.057 3044 T CA 1.792 63.905 62.100 0.021 0.000 1.136 3044 T CB -0.779 68.070 68.868 -0.032 0.000 0.874 3044 T HN 0.784 nan 8.240 nan 0.000 0.466 3045 T N 2.100 116.673 114.554 0.031 0.000 2.881 3045 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 3045 T C 1.448 176.169 174.700 0.035 0.000 1.068 3045 T CA 1.125 63.242 62.100 0.028 0.000 1.131 3045 T CB -0.322 68.571 68.868 0.042 0.000 0.871 3045 T HN 0.424 nan 8.240 nan 0.000 0.479 3046 D N 0.611 121.036 120.400 0.042 0.000 2.224 3046 D HA 0.010 4.650 4.640 -0.000 0.000 0.205 3046 D C 2.051 178.368 176.300 0.027 0.000 0.965 3046 D CA 0.395 54.420 54.000 0.042 0.000 0.852 3046 D CB -0.278 40.551 40.800 0.049 0.000 0.947 3046 D HN 0.263 nan 8.370 nan 0.000 0.494 3047 V N 1.041 120.963 119.914 0.013 0.000 2.649 3047 V HA 0.057 4.176 4.120 -0.000 0.000 0.248 3047 V C 1.229 177.323 176.094 -0.001 0.000 1.054 3047 V CA 0.468 62.769 62.300 0.002 0.000 1.073 3047 V CB -0.536 31.273 31.823 -0.023 0.000 0.699 3047 V HN 0.150 nan 8.190 nan 0.000 0.463 3048 A N 0.299 123.111 122.820 -0.012 0.000 2.546 3048 A HA 0.434 4.754 4.320 -0.000 0.000 0.243 3048 A C 1.719 179.281 177.584 -0.036 0.000 1.063 3048 A CA 0.607 52.621 52.037 -0.038 0.000 0.757 3048 A CB 0.223 19.198 19.000 -0.042 0.000 0.991 3048 A HN 0.509 nan 8.150 nan 0.000 0.503 3049 A N 2.581 125.360 122.820 -0.068 0.000 1.892 3049 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 3049 A C 2.027 179.565 177.584 -0.078 0.000 1.188 3049 A CA 2.046 54.044 52.037 -0.064 0.000 0.631 3049 A CB -0.948 17.976 19.000 -0.127 0.000 0.822 3049 A HN 2.744 nan 8.150 nan 0.000 0.447 3050 G N -2.522 106.206 108.800 -0.120 0.000 2.131 3050 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.201 3050 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.201 3050 G C -0.040 174.764 174.900 -0.160 0.000 1.000 3050 G CA 0.108 45.139 45.100 -0.115 0.000 0.680 3050 G HN 1.062 nan 8.290 nan 0.000 0.514 3051 L N 0.821 121.918 121.223 -0.210 0.000 2.369 3051 L HA 0.645 4.985 4.340 -0.000 0.000 0.279 3051 L C 0.663 177.436 176.870 -0.162 0.000 1.108 3051 L CA -1.074 53.615 54.840 -0.251 0.000 0.852 3051 L CB 0.219 42.036 42.059 -0.402 0.000 1.169 3051 L HN 0.250 nan 8.230 nan 0.000 0.452 3052 W N 7.375 128.538 121.300 -0.229 0.000 2.565 3052 W HA 0.328 4.988 4.660 -0.001 0.000 0.325 3052 W C -0.190 176.201 176.519 -0.214 0.000 1.408 3052 W CA 0.183 57.445 57.345 -0.137 0.000 1.350 3052 W CB 0.055 29.505 29.460 -0.017 0.000 1.426 3052 W HN 0.657 nan 8.180 nan 0.000 0.538 3053 Q N 6.972 126.281 119.800 -0.819 0.000 2.676 3053 Q HA 0.169 4.508 4.340 -0.000 0.000 0.223 3053 Q C -2.644 172.809 176.000 -0.912 0.000 0.807 3053 Q CA -1.277 53.943 55.803 -0.971 0.000 1.097 3053 Q CB 1.277 29.729 28.738 -0.478 0.000 1.602 3053 Q HN 0.139 nan 8.270 nan 0.000 0.514 3054 P HA 0.173 nan 4.420 nan 0.000 0.276 3054 P C -0.917 176.216 177.300 -0.279 0.000 1.244 3054 P CA -0.290 62.327 63.100 -0.806 0.000 0.801 3054 P CB 0.372 31.643 31.700 -0.715 0.000 1.006 3055 Y N 0.154 120.313 120.300 -0.236 0.000 2.914 3055 Y HA -0.115 4.435 4.550 -0.001 0.000 0.348 3055 Y C 1.996 178.001 175.900 0.176 0.000 1.278 3055 Y CA 0.279 58.332 58.100 -0.079 0.000 1.491 3055 Y CB -0.671 37.671 38.460 -0.196 0.000 1.334 3055 Y HN 0.232 nan 8.280 nan 0.000 0.650 3056 L N 0.309 121.737 121.223 0.342 0.000 2.179 3056 L HA -0.003 4.336 4.340 -0.000 0.000 0.208 3056 L C 1.003 177.925 176.870 0.087 0.000 1.096 3056 L CA 0.679 55.682 54.840 0.271 0.000 0.779 3056 L CB -0.784 41.413 42.059 0.230 0.000 0.922 3056 L HN 0.503 nan 8.230 nan 0.000 0.443 3057 S N -0.311 115.422 115.700 0.054 0.000 2.580 3057 S HA 0.200 4.669 4.470 -0.000 0.000 0.274 3057 S C -0.324 174.279 174.600 0.005 0.000 1.329 3057 S CA -0.932 57.266 58.200 -0.005 0.000 1.036 3057 S CB 0.977 64.154 63.200 -0.039 0.000 0.919 3057 S HN 0.048 nan 8.310 nan 0.000 0.515 3058 D N 3.241 123.619 120.400 -0.037 0.000 2.264 3058 D HA 0.393 5.033 4.640 -0.000 0.000 0.250 3058 D C -1.792 174.486 176.300 -0.037 0.000 1.113 3058 D CA -1.026 52.946 54.000 -0.048 0.000 0.871 3058 D CB 0.453 41.205 40.800 -0.079 0.000 1.167 3058 D HN 0.461 nan 8.370 nan 0.000 0.447 3059 P HA 0.117 nan 4.420 nan 0.000 0.272 3059 P C 0.509 177.784 177.300 -0.042 0.000 1.230 3059 P CA -0.441 62.640 63.100 -0.032 0.000 0.788 3059 P CB 1.000 32.666 31.700 -0.056 0.000 0.949 3060 N N 0.612 119.297 118.700 -0.026 0.000 2.272 3060 N HA -0.128 4.611 4.740 -0.000 0.000 0.185 3060 N C 0.421 175.898 175.510 -0.055 0.000 1.014 3060 N CA 1.021 54.051 53.050 -0.033 0.000 0.870 3060 N CB -0.570 37.907 38.487 -0.017 0.000 0.975 3060 N HN 0.390 nan 8.380 nan 0.000 0.433 3061 N N 1.673 120.331 118.700 -0.069 0.000 2.699 3061 N HA 0.179 4.919 4.740 -0.000 0.000 0.232 3061 N C -1.916 173.492 175.510 -0.170 0.000 1.027 3061 N CA -2.070 50.910 53.050 -0.117 0.000 0.920 3061 N CB 1.157 39.575 38.487 -0.115 0.000 1.148 3061 N HN -0.013 nan 8.380 nan 0.000 0.509 3062 P HA -0.125 nan 4.420 nan 0.000 0.234 3062 P C 0.892 178.030 177.300 -0.270 0.000 1.162 3062 P CA 0.737 63.734 63.100 -0.172 0.000 0.759 3062 P CB 0.621 32.243 31.700 -0.130 0.000 0.813 3063 Q N 0.217 119.786 119.800 -0.385 0.000 2.230 3063 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 3063 Q C 1.893 177.246 176.000 -1.079 0.000 0.963 3063 Q CA 1.162 56.530 55.803 -0.725 0.000 0.866 3063 Q CB 0.012 28.291 28.738 -0.767 0.000 0.931 3063 Q HN 0.493 nan 8.270 nan 0.000 0.452 3064 E N 0.161 120.002 120.200 -0.598 0.000 2.051 3064 E HA -0.059 4.291 4.350 -0.000 0.000 0.189 3064 E C 1.906 178.415 176.600 -0.151 0.000 0.979 3064 E CA 0.695 56.917 56.400 -0.298 0.000 0.803 3064 E CB -0.054 29.599 29.700 -0.078 0.000 0.761 3064 E HN 0.271 nan 8.360 nan 0.000 0.451 3065 A N 1.746 124.475 122.820 -0.152 0.000 2.042 3065 A HA -0.259 4.060 4.320 -0.000 0.000 0.222 3065 A C 1.582 179.163 177.584 -0.006 0.000 1.167 3065 A CA 1.887 53.889 52.037 -0.058 0.000 0.649 3065 A CB -0.347 18.613 19.000 -0.068 0.000 0.809 3065 A HN 0.163 nan 8.150 nan 0.000 0.457 3066 D N -1.869 118.475 120.400 -0.092 0.000 2.240 3066 D HA -0.071 4.569 4.640 -0.000 0.000 0.206 3066 D C 1.591 177.989 176.300 0.164 0.000 0.963 3066 D CA 0.444 54.440 54.000 -0.007 0.000 0.863 3066 D CB -0.229 40.516 40.800 -0.091 0.000 0.973 3066 D HN 0.670 nan 8.370 nan 0.000 0.501 3067 W N 1.946 123.304 121.300 0.096 0.000 2.436 3067 W HA -0.015 4.644 4.660 -0.001 0.000 0.284 3067 W C 2.370 179.001 176.519 0.187 0.000 1.225 3067 W CA 0.329 57.743 57.345 0.114 0.000 1.271 3067 W CB -1.010 28.503 29.460 0.088 0.000 1.114 3067 W HN -0.072 nan 8.180 nan 0.000 0.559 3068 S N -0.089 115.863 115.700 0.420 0.000 2.368 3068 S HA -0.242 4.228 4.470 -0.000 0.000 0.224 3068 S C 1.736 176.767 174.600 0.719 0.000 1.029 3068 S CA 1.444 59.926 58.200 0.469 0.000 0.988 3068 S CB -0.668 62.629 63.200 0.160 0.000 0.838 3068 S HN 0.379 nan 8.310 nan 0.000 0.462 3069 Q N 1.115 121.215 119.800 0.499 0.000 2.124 3069 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 3069 Q C 2.177 178.367 176.000 0.316 0.000 0.977 3069 Q CA 1.354 57.371 55.803 0.358 0.000 0.850 3069 Q CB -0.148 28.721 28.738 0.217 0.000 0.901 3069 Q HN 0.588 nan 8.270 nan 0.000 0.429 3070 Q N -0.805 119.194 119.800 0.332 0.000 2.119 3070 Q HA -0.102 4.237 4.340 -0.000 0.000 0.201 3070 Q C 1.960 178.178 176.000 0.364 0.000 0.972 3070 Q CA 1.774 57.768 55.803 0.318 0.000 0.847 3070 Q CB 0.226 29.152 28.738 0.314 0.000 0.903 3070 Q HN 0.407 nan 8.270 nan 0.000 0.433 3071 T N 0.418 115.210 114.554 0.396 0.000 2.737 3071 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 3071 T C 1.298 176.146 174.700 0.247 0.000 1.038 3071 T CA 1.021 63.336 62.100 0.358 0.000 1.144 3071 T CB -0.372 68.711 68.868 0.359 0.000 0.866 3071 T HN 0.247 nan 8.240 nan 0.000 0.434 3072 F N 2.387 122.347 119.950 0.018 0.000 2.046 3072 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 3072 F C 2.111 177.788 175.800 -0.205 0.000 1.123 3072 F CA 1.633 59.375 58.000 -0.430 0.000 1.199 3072 F CB -0.242 38.202 39.000 -0.927 0.000 0.972 3072 F HN 0.056 nan 8.300 nan 0.000 0.474 3073 D N -1.058 119.473 120.400 0.217 0.000 2.182 3073 D HA -0.248 4.391 4.640 -0.000 0.000 0.201 3073 D C 1.812 178.176 176.300 0.107 0.000 0.986 3073 D CA 1.464 55.561 54.000 0.161 0.000 0.847 3073 D CB -0.650 40.260 40.800 0.184 0.000 0.942 3073 D HN 0.464 nan 8.370 nan 0.000 0.467 3074 Y N 1.065 121.362 120.300 -0.006 0.000 2.184 3074 Y HA -0.042 4.507 4.550 -0.000 0.000 0.290 3074 Y C 2.102 177.903 175.900 -0.165 0.000 1.129 3074 Y CA 1.068 59.127 58.100 -0.069 0.000 1.144 3074 Y CB -0.459 37.901 38.460 -0.166 0.000 0.995 3074 Y HN -0.121 nan 8.280 nan 0.000 0.513 3075 L N -0.378 120.606 121.223 -0.398 0.000 1.961 3075 L HA -0.203 4.136 4.340 -0.000 0.000 0.210 3075 L C 2.462 179.046 176.870 -0.476 0.000 1.072 3075 L CA 1.543 56.040 54.840 -0.570 0.000 0.749 3075 L CB -0.972 40.809 42.059 -0.464 0.000 0.889 3075 L HN 0.322 nan 8.230 nan 0.000 0.432 3076 L N 0.212 121.099 121.223 -0.559 0.000 2.357 3076 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 3076 L C 2.335 179.033 176.870 -0.288 0.000 1.123 3076 L CA 1.825 56.373 54.840 -0.486 0.000 0.782 3076 L CB -0.363 41.329 42.059 -0.612 0.000 0.910 3076 L HN 0.370 nan 8.230 nan 0.000 0.442 3077 S N -3.265 112.313 115.700 -0.203 0.000 2.634 3077 S HA 0.066 4.536 4.470 -0.000 0.000 0.221 3077 S C 0.695 175.084 174.600 -0.352 0.000 0.952 3077 S CA 0.118 58.208 58.200 -0.183 0.000 0.930 3077 S CB -0.484 62.679 63.200 -0.061 0.000 0.780 3077 S HN 0.673 nan 8.310 nan 0.000 0.498 3078 H N -1.129 117.731 119.070 -0.349 0.000 3.480 3078 H HA 0.329 4.884 4.556 -0.001 0.000 0.257 3078 H C 1.337 176.509 175.328 -0.261 0.000 1.196 3078 H CA 0.095 55.940 56.048 -0.338 0.000 1.100 3078 H CB 0.465 29.909 29.762 -0.530 0.000 1.683 3078 H HN 0.222 nan 8.280 nan 0.000 0.702 3079 V N 0.403 120.229 119.914 -0.146 0.000 2.392 3079 V HA -0.194 3.925 4.120 -0.000 0.000 0.249 3079 V C 0.091 176.287 176.094 0.170 0.000 1.059 3079 V CA 1.797 64.075 62.300 -0.037 0.000 1.051 3079 V CB -0.163 31.622 31.823 -0.064 0.000 0.658 3079 V HN 0.391 nan 8.190 nan 0.000 0.455 3080 H N 0.370 119.370 119.070 -0.117 0.000 2.623 3080 H HA 0.792 5.347 4.556 -0.000 0.000 0.299 3080 H C -0.158 175.105 175.328 -0.107 0.000 1.052 3080 H CA 0.186 56.178 56.048 -0.094 0.000 1.231 3080 H CB 0.951 30.664 29.762 -0.083 0.000 1.389 3080 H HN 0.362 nan 8.280 nan 0.000 0.469 3081 S N 2.459 118.163 115.700 0.006 0.000 2.611 3081 S HA 0.251 4.721 4.470 -0.000 0.000 0.270 3081 S C -1.931 172.648 174.600 -0.035 0.000 1.131 3081 S CA -1.008 57.175 58.200 -0.029 0.000 0.826 3081 S CB 0.921 64.090 63.200 -0.051 0.000 1.095 3081 S HN 0.249 nan 8.310 nan 0.000 0.461 3082 P HA -0.060 nan 4.420 nan 0.000 0.216 3082 P C 0.637 177.924 177.300 -0.022 0.000 1.150 3082 P CA 1.116 64.209 63.100 -0.012 0.000 0.843 3082 P CB -0.095 31.613 31.700 0.012 0.000 0.787 3083 N N -1.136 117.537 118.700 -0.045 0.000 2.270 3083 N HA 0.140 4.880 4.740 -0.000 0.000 0.198 3083 N C 1.241 176.631 175.510 -0.200 0.000 1.117 3083 N CA 0.409 53.394 53.050 -0.108 0.000 0.845 3083 N CB -0.287 38.121 38.487 -0.131 0.000 0.980 3083 N HN 0.036 nan 8.380 nan 0.000 0.486 3084 A N 1.444 124.185 122.820 -0.132 0.000 1.969 3084 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 3084 A C 2.160 179.691 177.584 -0.090 0.000 1.169 3084 A CA 1.218 53.179 52.037 -0.126 0.000 0.635 3084 A CB -0.396 18.565 19.000 -0.064 0.000 0.810 3084 A HN 0.433 nan 8.150 nan 0.000 0.445 3085 E N -0.275 119.886 120.200 -0.064 0.000 2.051 3085 E HA -0.171 4.178 4.350 -0.000 0.000 0.189 3085 E C 1.673 178.261 176.600 -0.021 0.000 0.979 3085 E CA 0.902 57.282 56.400 -0.033 0.000 0.803 3085 E CB -0.148 29.531 29.700 -0.034 0.000 0.761 3085 E HN 0.491 nan 8.360 nan 0.000 0.451 3086 N N 0.652 119.336 118.700 -0.027 0.000 2.137 3086 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 3086 N C 1.691 177.207 175.510 0.010 0.000 1.017 3086 N CA 0.743 53.806 53.050 0.022 0.000 0.859 3086 N CB -0.237 38.300 38.487 0.083 0.000 1.002 3086 N HN 0.143 nan 8.380 nan 0.000 0.428 3087 L N -0.347 120.785 121.223 -0.152 0.000 2.141 3087 L HA 0.050 4.389 4.340 -0.000 0.000 0.209 3087 L C 1.477 178.362 176.870 0.026 0.000 1.094 3087 L CA 1.374 56.145 54.840 -0.116 0.000 0.763 3087 L CB -0.781 41.080 42.059 -0.330 0.000 0.908 3087 L HN 0.378 nan 8.230 nan 0.000 0.437 3088 G N -0.671 108.143 108.800 0.024 0.000 2.137 3088 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.237 3088 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.237 3088 G C 0.267 175.242 174.900 0.126 0.000 1.002 3088 G CA 0.218 45.378 45.100 0.099 0.000 0.702 3088 G HN 0.257 nan 8.290 nan 0.000 0.515 3089 L N 0.348 121.588 121.223 0.029 0.000 2.371 3089 L HA 0.777 5.117 4.340 -0.000 0.000 0.272 3089 L C 0.431 177.403 176.870 0.169 0.000 1.124 3089 L CA -0.620 54.190 54.840 -0.050 0.000 0.816 3089 L CB 0.547 42.505 42.059 -0.168 0.000 1.129 3089 L HN 0.554 nan 8.230 nan 0.000 0.448 3090 F N 2.316 122.201 119.950 -0.109 0.000 2.765 3090 F HA 0.389 4.916 4.527 -0.000 0.000 0.313 3090 F C -1.858 173.910 175.800 -0.054 0.000 1.136 3090 F CA -1.227 56.732 58.000 -0.069 0.000 0.952 3090 F CB 0.447 39.417 39.000 -0.049 0.000 1.268 3090 F HN 0.151 nan 8.300 nan 0.000 0.441 3091 L N 3.645 124.949 121.223 0.135 0.000 2.436 3091 L HA 0.643 4.983 4.340 -0.000 0.000 0.265 3091 L C -0.205 176.770 176.870 0.176 0.000 1.168 3091 L CA -0.630 54.249 54.840 0.066 0.000 0.815 3091 L CB 1.415 43.533 42.059 0.100 0.000 1.109 3091 L HN 0.791 nan 8.230 nan 0.000 0.462 3092 I N 0.586 121.232 120.570 0.127 0.000 2.741 3092 I HA 0.238 4.408 4.170 -0.000 0.000 0.288 3092 I C -0.964 175.258 176.117 0.175 0.000 1.482 3092 I CA 0.019 61.440 61.300 0.201 0.000 1.050 3092 I CB 1.855 40.017 38.000 0.271 0.000 1.388 3092 I HN 0.545 nan 8.210 nan 0.000 0.428 3093 S N 4.130 119.857 115.700 0.045 0.000 2.690 3093 S HA 1.022 5.492 4.470 -0.000 0.000 0.291 3093 S C -0.051 173.910 174.600 -1.065 0.000 1.138 3093 S CA -0.134 57.887 58.200 -0.298 0.000 1.013 3093 S CB 1.777 64.925 63.200 -0.086 0.000 1.053 3093 S HN 1.025 nan 8.310 nan 0.000 0.539 3094 G N -0.063 107.550 108.800 -1.979 0.000 2.441 3094 G HA2 0.500 4.460 3.960 -0.000 0.000 0.294 3094 G HA3 0.500 4.460 3.960 -0.000 0.000 0.294 3094 G C -2.389 171.476 174.900 -1.725 0.000 1.393 3094 G CA -0.756 42.871 45.100 -2.455 0.000 0.796 3094 G HN 0.482 nan 8.290 nan 0.000 0.494 3095 Y N 0.560 120.390 120.300 -0.783 0.000 2.342 3095 Y HA 0.551 5.101 4.550 -0.001 0.000 0.334 3095 Y C 0.603 176.446 175.900 -0.094 0.000 1.067 3095 Y CA -0.744 57.186 58.100 -0.282 0.000 1.128 3095 Y CB 1.863 40.194 38.460 -0.215 0.000 1.200 3095 Y HN 0.253 nan 8.280 nan 0.000 0.464 3096 N N 4.080 122.822 118.700 0.069 0.000 2.442 3096 N HA 0.468 5.207 4.740 -0.000 0.000 0.274 3096 N C -1.554 173.681 175.510 -0.459 0.000 1.002 3096 N CA -0.386 52.567 53.050 -0.161 0.000 0.910 3096 N CB 1.573 40.004 38.487 -0.094 0.000 1.244 3096 N HN 0.533 nan 8.380 nan 0.000 0.492 3097 L N 2.507 123.305 121.223 -0.708 0.000 2.334 3097 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 3097 L C -0.584 175.774 176.870 -0.852 0.000 1.013 3097 L CA -0.643 53.781 54.840 -0.693 0.000 0.816 3097 L CB 1.030 42.507 42.059 -0.971 0.000 1.278 3097 L HN 0.367 nan 8.230 nan 0.000 0.431 3098 F N -0.804 119.081 119.950 -0.109 0.000 3.117 3098 F HA 0.467 4.994 4.527 -0.000 0.000 0.345 3098 F C 0.914 176.675 175.800 -0.066 0.000 1.278 3098 F CA -0.626 57.359 58.000 -0.024 0.000 1.035 3098 F CB 0.779 39.807 39.000 0.046 0.000 1.531 3098 F HN 0.360 nan 8.300 nan 0.000 0.515 3099 H N -1.426 117.925 119.070 0.469 0.000 3.067 3099 H HA 0.328 4.884 4.556 -0.001 0.000 0.241 3099 H C -0.256 175.202 175.328 0.217 0.000 0.961 3099 H CA 0.420 56.633 56.048 0.276 0.000 1.123 3099 H CB 0.982 30.840 29.762 0.159 0.000 1.448 3099 H HN 0.348 nan 8.280 nan 0.000 0.457 3100 E N 0.395 120.782 120.200 0.311 0.000 2.447 3100 E HA 0.584 4.934 4.350 -0.000 0.000 0.251 3100 E C -0.468 176.158 176.600 0.044 0.000 0.910 3100 E CA -1.131 55.353 56.400 0.139 0.000 0.841 3100 E CB 1.346 31.092 29.700 0.076 0.000 1.403 3100 E HN 0.071 nan 8.360 nan 0.000 0.400 3101 A N 1.346 124.035 122.820 -0.218 0.000 2.527 3101 A HA 0.381 4.700 4.320 -0.000 0.000 0.313 3101 A C -0.175 177.292 177.584 -0.194 0.000 1.410 3101 A CA -0.230 51.475 52.037 -0.553 0.000 1.060 3101 A CB -1.010 17.532 19.000 -0.763 0.000 1.137 3101 A HN 0.312 nan 8.150 nan 0.000 0.542 3102 I N 4.009 124.538 120.570 -0.068 0.000 2.474 3102 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 3102 I C -1.782 174.342 176.117 0.013 0.000 1.048 3102 I CA -1.519 59.722 61.300 -0.097 0.000 1.383 3102 I CB 0.727 38.530 38.000 -0.328 0.000 1.412 3102 I HN 0.440 nan 8.210 nan 0.000 0.531 3103 P HA -0.017 nan 4.420 nan 0.000 0.264 3103 P C -0.941 176.321 177.300 -0.064 0.000 1.179 3103 P CA -0.071 63.007 63.100 -0.037 0.000 0.763 3103 P CB 0.253 31.906 31.700 -0.078 0.000 0.806 3104 D N 3.178 123.489 120.400 -0.148 0.000 2.478 3104 D HA 0.026 4.666 4.640 -0.000 0.000 0.234 3104 D C -1.523 174.393 176.300 -0.641 0.000 1.154 3104 D CA -0.356 53.380 54.000 -0.439 0.000 0.874 3104 D CB -0.495 40.021 40.800 -0.473 0.000 1.198 3104 D HN 0.308 nan 8.370 nan 0.000 0.455 3105 P HA 0.058 nan 4.420 nan 0.000 0.296 3105 P C 0.051 176.716 177.300 -1.059 0.000 1.295 3105 P CA -0.198 62.178 63.100 -1.206 0.000 0.754 3105 P CB 0.500 30.847 31.700 -2.255 0.000 1.311 3106 S N -2.667 112.445 115.700 -0.980 0.000 2.524 3106 S HA 0.029 4.498 4.470 -0.000 0.000 0.222 3106 S C 1.739 176.067 174.600 -0.453 0.000 1.040 3106 S CA -0.422 57.430 58.200 -0.580 0.000 0.915 3106 S CB -0.793 62.205 63.200 -0.337 0.000 0.831 3106 S HN 0.625 nan 8.310 nan 0.000 0.492 3107 W N 3.981 125.118 121.300 -0.271 0.000 2.611 3107 W HA 0.086 4.746 4.660 -0.000 0.000 0.251 3107 W C 1.351 177.694 176.519 -0.293 0.000 1.265 3107 W CA 0.703 57.940 57.345 -0.179 0.000 1.295 3107 W CB -0.840 28.630 29.460 0.017 0.000 1.129 3107 W HN 0.489 nan 8.180 nan 0.000 0.630 3108 K N 1.155 121.261 120.400 -0.490 0.000 2.444 3108 K HA -0.225 4.095 4.320 -0.000 0.000 0.200 3108 K C 0.337 176.798 176.600 -0.231 0.000 1.045 3108 K CA 2.128 58.048 56.287 -0.611 0.000 0.934 3108 K CB -0.371 31.262 32.500 -1.446 0.000 0.756 3108 K HN -0.015 nan 8.250 nan 0.000 0.477 3109 D N 0.064 120.360 120.400 -0.173 0.000 2.417 3109 D HA -0.036 4.604 4.640 -0.000 0.000 0.207 3109 D C 1.547 177.780 176.300 -0.111 0.000 1.075 3109 D CA 1.013 54.949 54.000 -0.106 0.000 0.851 3109 D CB 0.695 41.434 40.800 -0.102 0.000 0.976 3109 D HN 0.471 nan 8.370 nan 0.000 0.505 3110 T N -1.774 112.682 114.554 -0.162 0.000 3.010 3110 T HA 0.062 4.412 4.350 -0.000 0.000 0.252 3110 T C 1.309 175.546 174.700 -0.771 0.000 1.047 3110 T CA 0.293 62.182 62.100 -0.352 0.000 1.140 3110 T CB -0.640 68.042 68.868 -0.309 0.000 0.885 3110 T HN -0.014 nan 8.240 nan 0.000 0.464 3111 V N 0.655 120.226 119.914 -0.571 0.000 3.611 3111 V HA 0.436 4.556 4.120 -0.000 0.000 0.296 3111 V C 0.155 176.221 176.094 -0.046 0.000 1.091 3111 V CA -1.220 60.819 62.300 -0.436 0.000 1.103 3111 V CB -0.187 31.724 31.823 0.148 0.000 1.157 3111 V HN 0.220 nan 8.190 nan 0.000 0.471 3112 L N 1.932 123.267 121.223 0.186 0.000 2.296 3112 L HA 0.640 4.979 4.340 -0.000 0.000 0.286 3112 L C 1.009 178.025 176.870 0.243 0.000 1.023 3112 L CA 0.731 55.688 54.840 0.196 0.000 0.812 3112 L CB -0.334 41.847 42.059 0.204 0.000 1.223 3112 L HN 1.264 nan 8.230 nan 0.000 0.421 3113 G N 3.027 111.941 108.800 0.191 0.000 2.333 3113 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.296 3113 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.296 3113 G C -0.111 174.932 174.900 0.239 0.000 1.059 3113 G CA -0.163 45.049 45.100 0.187 0.000 1.050 3113 G HN 0.550 nan 8.290 nan 0.000 0.508 3114 F N 1.807 121.818 119.950 0.100 0.000 2.494 3114 F HA 0.555 5.081 4.527 -0.000 0.000 0.369 3114 F C 1.050 176.870 175.800 0.033 0.000 1.098 3114 F CA -0.181 57.851 58.000 0.053 0.000 1.154 3114 F CB 0.333 39.266 39.000 -0.112 0.000 1.103 3114 F HN 0.586 nan 8.300 nan 0.000 0.549 3115 R N 3.479 123.717 120.500 -0.437 0.000 2.817 3115 R HA 0.672 5.012 4.340 -0.000 0.000 0.268 3115 R C -1.662 174.404 176.300 -0.391 0.000 1.027 3115 R CA -1.492 54.433 56.100 -0.292 0.000 0.928 3115 R CB 1.059 31.300 30.300 -0.098 0.000 1.228 3115 R HN 0.274 nan 8.270 nan 0.000 0.469 3116 K N 0.694 120.992 120.400 -0.171 0.000 2.130 3116 K HA 0.339 4.659 4.320 -0.000 0.000 0.268 3116 K C -0.548 176.065 176.600 0.023 0.000 0.983 3116 K CA -0.625 55.629 56.287 -0.055 0.000 0.893 3116 K CB 1.198 33.743 32.500 0.076 0.000 1.066 3116 K HN 0.426 nan 8.250 nan 0.000 0.450 3117 L N 3.470 124.737 121.223 0.074 0.000 2.780 3117 L HA -0.075 4.265 4.340 -0.000 0.000 0.275 3117 L C 0.461 177.398 176.870 0.112 0.000 1.153 3117 L CA 0.211 55.131 54.840 0.135 0.000 0.993 3117 L CB -0.615 41.560 42.059 0.193 0.000 1.319 3117 L HN 0.774 nan 8.230 nan 0.000 0.479 3118 T N 2.096 116.693 114.554 0.072 0.000 2.937 3118 T HA 0.068 4.418 4.350 -0.000 0.000 0.316 3118 T C -1.165 173.586 174.700 0.085 0.000 1.079 3118 T CA -1.355 60.782 62.100 0.062 0.000 1.131 3118 T CB 0.702 69.579 68.868 0.015 0.000 1.000 3118 T HN 0.449 nan 8.240 nan 0.000 0.549 3119 P HA -0.211 nan 4.420 nan 0.000 0.218 3119 P C 1.434 178.772 177.300 0.063 0.000 1.150 3119 P CA 1.274 64.425 63.100 0.084 0.000 0.841 3119 P CB 0.106 31.845 31.700 0.065 0.000 0.784 3120 R N 0.933 121.458 120.500 0.041 0.000 2.060 3120 R HA -0.113 4.227 4.340 -0.000 0.000 0.225 3120 R C 2.642 178.946 176.300 0.006 0.000 1.155 3120 R CA 1.798 57.908 56.100 0.017 0.000 0.930 3120 R CB -0.638 29.664 30.300 0.003 0.000 0.829 3120 R HN 0.165 nan 8.270 nan 0.000 0.433 3121 E N 0.578 120.793 120.200 0.024 0.000 2.219 3121 E HA -0.259 4.090 4.350 -0.000 0.000 0.198 3121 E C 2.057 178.654 176.600 -0.006 0.000 0.998 3121 E CA 1.279 57.694 56.400 0.024 0.000 0.818 3121 E CB -0.509 29.283 29.700 0.153 0.000 0.741 3121 E HN 0.402 nan 8.360 nan 0.000 0.477 3122 L N 1.760 123.036 121.223 0.087 0.000 2.201 3122 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 3122 L C 1.491 178.399 176.870 0.063 0.000 1.105 3122 L CA 1.485 56.414 54.840 0.149 0.000 0.775 3122 L CB -0.105 42.066 42.059 0.186 0.000 0.913 3122 L HN -0.000 nan 8.230 nan 0.000 0.440 3123 D N -0.364 120.034 120.400 -0.004 0.000 2.263 3123 D HA -0.218 4.421 4.640 -0.000 0.000 0.208 3123 D C 2.137 178.355 176.300 -0.136 0.000 0.971 3123 D CA 1.225 55.207 54.000 -0.030 0.000 0.867 3123 D CB -0.093 40.692 40.800 -0.024 0.000 0.929 3123 D HN 0.496 nan 8.370 nan 0.000 0.492 3124 M N -0.291 119.105 119.600 -0.339 0.000 2.358 3124 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 3124 M C -0.090 175.789 176.300 -0.701 0.000 1.064 3124 M CA 0.956 55.886 55.300 -0.617 0.000 1.093 3124 M CB -0.020 31.982 32.600 -0.997 0.000 1.401 3124 M HN -0.132 nan 8.290 nan 0.000 0.440 3125 F N -0.886 119.046 119.950 -0.030 0.000 2.434 3125 F HA 0.345 4.872 4.527 -0.001 0.000 0.355 3125 F C -1.978 173.873 175.800 0.085 0.000 1.115 3125 F CA -2.694 55.322 58.000 0.026 0.000 1.010 3125 F CB 0.185 39.194 39.000 0.014 0.000 1.234 3125 F HN -0.192 nan 8.300 nan 0.000 0.439 3126 P HA -0.089 nan 4.420 nan 0.000 0.215 3126 P C 1.103 178.496 177.300 0.154 0.000 1.157 3126 P CA 1.123 64.306 63.100 0.138 0.000 0.856 3126 P CB 0.398 32.147 31.700 0.082 0.000 0.786 3127 D N -1.993 118.501 120.400 0.156 0.000 2.357 3127 D HA -0.118 4.522 4.640 -0.000 0.000 0.216 3127 D C 0.076 176.283 176.300 -0.155 0.000 0.973 3127 D CA 1.208 55.212 54.000 0.007 0.000 0.912 3127 D CB -0.296 40.495 40.800 -0.015 0.000 0.900 3127 D HN 0.270 nan 8.370 nan 0.000 0.501 3128 Y N -2.114 118.281 120.300 0.159 0.000 2.536 3128 Y HA 0.539 5.088 4.550 -0.001 0.000 0.347 3128 Y C 1.359 177.360 175.900 0.168 0.000 1.000 3128 Y CA -0.846 57.322 58.100 0.113 0.000 1.051 3128 Y CB 2.424 40.841 38.460 -0.072 0.000 1.259 3128 Y HN -0.254 nan 8.280 nan 0.000 0.468 3129 G N -0.112 108.895 108.800 0.344 0.000 2.833 3129 G HA2 0.066 4.026 3.960 -0.000 0.000 0.214 3129 G HA3 0.066 4.026 3.960 -0.000 0.000 0.214 3129 G C -1.202 173.928 174.900 0.383 0.000 1.075 3129 G CA 0.326 45.612 45.100 0.310 0.000 0.799 3129 G HN 0.461 nan 8.290 nan 0.000 0.541 3130 Y N -0.221 120.220 120.300 0.235 0.000 2.513 3130 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 3130 Y C -0.047 176.024 175.900 0.285 0.000 1.055 3130 Y CA -0.546 57.693 58.100 0.232 0.000 1.020 3130 Y CB 1.672 40.248 38.460 0.194 0.000 1.301 3130 Y HN 0.294 nan 8.280 nan 0.000 0.453 3131 G N 2.102 110.585 108.800 -0.529 0.000 2.561 3131 G HA2 0.478 4.438 3.960 -0.000 0.000 0.310 3131 G HA3 0.478 4.438 3.960 -0.000 0.000 0.310 3131 G C -1.995 172.769 174.900 -0.227 0.000 1.292 3131 G CA -0.786 44.098 45.100 -0.361 0.000 0.811 3131 G HN 0.523 nan 8.290 nan 0.000 0.482 3132 W N -1.614 119.704 121.300 0.031 0.000 3.518 3132 W HA 0.864 5.523 4.660 -0.001 0.000 0.331 3132 W C -1.222 175.346 176.519 0.082 0.000 1.205 3132 W CA -1.682 55.629 57.345 -0.056 0.000 0.956 3132 W CB 0.799 30.243 29.460 -0.028 0.000 1.645 3132 W HN 0.501 nan 8.180 nan 0.000 0.615 3133 F N 1.940 121.971 119.950 0.135 0.000 2.652 3133 F HA 0.327 4.854 4.527 -0.001 0.000 0.320 3133 F C -0.892 175.024 175.800 0.193 0.000 1.115 3133 F CA -0.529 57.484 58.000 0.022 0.000 1.053 3133 F CB 0.958 39.827 39.000 -0.217 0.000 1.297 3133 F HN 0.378 nan 8.300 nan 0.000 0.471 3134 H N 1.409 120.491 119.070 0.020 0.000 3.042 3134 H HA 0.439 4.995 4.556 -0.000 0.000 0.346 3134 H C -1.620 173.787 175.328 0.131 0.000 1.294 3134 H CA -1.073 55.107 56.048 0.219 0.000 1.141 3134 H CB 1.056 31.047 29.762 0.382 0.000 1.872 3134 H HN 0.409 nan 8.280 nan 0.000 0.541 3135 T N 1.129 115.831 114.554 0.248 0.000 2.889 3135 T HA 0.491 4.841 4.350 -0.000 0.000 0.291 3135 T C 0.333 175.186 174.700 0.255 0.000 0.995 3135 T CA -0.157 62.051 62.100 0.179 0.000 1.092 3135 T CB 1.311 70.293 68.868 0.191 0.000 0.954 3135 T HN 0.651 nan 8.240 nan 0.000 0.506 3136 S N 1.163 116.992 115.700 0.215 0.000 2.790 3136 S HA 0.784 5.253 4.470 -0.000 0.000 0.292 3136 S C -1.752 172.869 174.600 0.036 0.000 1.197 3136 S CA -0.825 57.528 58.200 0.254 0.000 0.851 3136 S CB 0.622 63.989 63.200 0.278 0.000 1.217 3136 S HN 0.564 nan 8.310 nan 0.000 0.526 3137 L N 1.204 122.391 121.223 -0.059 0.000 2.279 3137 L HA 0.720 5.060 4.340 -0.000 0.000 0.262 3137 L C -1.036 175.632 176.870 -0.338 0.000 1.019 3137 L CA -0.868 53.803 54.840 -0.281 0.000 0.823 3137 L CB 1.824 43.620 42.059 -0.438 0.000 1.358 3137 L HN 0.557 nan 8.230 nan 0.000 0.432 3138 I N 2.297 122.509 120.570 -0.597 0.000 2.529 3138 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 3138 I C -1.374 174.464 176.117 -0.465 0.000 1.088 3138 I CA -0.445 60.497 61.300 -0.597 0.000 1.062 3138 I CB 2.356 39.775 38.000 -0.967 0.000 1.218 3138 I HN 0.252 nan 8.210 nan 0.000 0.442 3139 L N 7.226 128.284 121.223 -0.275 0.000 2.259 3139 L HA 0.399 4.739 4.340 -0.000 0.000 0.288 3139 L C 0.130 176.923 176.870 -0.128 0.000 1.051 3139 L CA 0.160 54.854 54.840 -0.243 0.000 0.824 3139 L CB 0.671 42.509 42.059 -0.368 0.000 1.206 3139 L HN 0.473 nan 8.230 nan 0.000 0.429 3140 E N 2.598 122.782 120.200 -0.026 0.000 2.338 3140 E HA 0.223 4.573 4.350 -0.000 0.000 0.272 3140 E C 0.811 177.460 176.600 0.080 0.000 1.029 3140 E CA 0.398 56.824 56.400 0.044 0.000 0.872 3140 E CB 1.196 30.965 29.700 0.114 0.000 1.015 3140 E HN 0.863 nan 8.360 nan 0.000 0.417 3141 G N 3.330 112.171 108.800 0.069 0.000 2.552 3141 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.216 3141 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.216 3141 G C 1.326 176.291 174.900 0.108 0.000 1.240 3141 G CA 0.784 45.939 45.100 0.092 0.000 0.796 3141 G HN 0.545 nan 8.290 nan 0.000 0.568 3142 K N 0.131 120.580 120.400 0.082 0.000 2.228 3142 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 3142 K C 2.273 178.926 176.600 0.089 0.000 1.045 3142 K CA 1.600 57.931 56.287 0.074 0.000 0.931 3142 K CB -0.142 32.393 32.500 0.057 0.000 0.727 3142 K HN 0.320 nan 8.250 nan 0.000 0.458 3143 N N -1.053 117.715 118.700 0.113 0.000 2.278 3143 N HA -0.089 4.650 4.740 -0.000 0.000 0.181 3143 N C 1.395 177.031 175.510 0.211 0.000 1.023 3143 N CA 0.595 53.726 53.050 0.136 0.000 0.862 3143 N CB -0.186 38.372 38.487 0.118 0.000 1.003 3143 N HN 0.110 nan 8.380 nan 0.000 0.431 3144 Y N 1.045 121.381 120.300 0.061 0.000 2.151 3144 Y HA -0.149 4.401 4.550 -0.001 0.000 0.284 3144 Y C 1.809 177.793 175.900 0.140 0.000 1.166 3144 Y CA 1.148 59.300 58.100 0.086 0.000 1.163 3144 Y CB -0.558 37.896 38.460 -0.010 0.000 0.974 3144 Y HN 0.035 nan 8.280 nan 0.000 0.511 3145 L N -0.004 121.267 121.223 0.080 0.000 1.989 3145 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 3145 L C 2.570 179.440 176.870 -0.000 0.000 1.071 3145 L CA 2.133 56.978 54.840 0.009 0.000 0.749 3145 L CB -1.349 40.743 42.059 0.054 0.000 0.890 3145 L HN 0.225 nan 8.230 nan 0.000 0.431 3146 Q N -1.431 118.394 119.800 0.042 0.000 2.061 3146 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 3146 Q C 2.079 178.092 176.000 0.022 0.000 0.984 3146 Q CA 1.987 57.800 55.803 0.017 0.000 0.846 3146 Q CB -0.737 28.024 28.738 0.038 0.000 0.902 3146 Q HN 0.521 nan 8.270 nan 0.000 0.421 3147 W N 0.352 121.605 121.300 -0.078 0.000 2.329 3147 W HA -0.204 4.456 4.660 -0.001 0.000 0.324 3147 W C 1.817 178.256 176.519 -0.133 0.000 1.222 3147 W CA 2.032 59.328 57.345 -0.082 0.000 1.270 3147 W CB -0.712 28.727 29.460 -0.034 0.000 1.167 3147 W HN 0.221 nan 8.180 nan 0.000 0.467 3148 L N -0.116 121.018 121.223 -0.147 0.000 1.963 3148 L HA -0.386 3.954 4.340 -0.000 0.000 0.220 3148 L C 2.459 179.151 176.870 -0.297 0.000 1.076 3148 L CA 2.417 57.058 54.840 -0.333 0.000 0.772 3148 L CB -1.591 40.292 42.059 -0.292 0.000 0.892 3148 L HN 0.037 nan 8.230 nan 0.000 0.435 3149 T N -0.994 113.446 114.554 -0.189 0.000 2.592 3149 T HA -0.335 4.015 4.350 -0.000 0.000 0.267 3149 T C 1.756 176.266 174.700 -0.318 0.000 1.060 3149 T CA 2.013 63.973 62.100 -0.233 0.000 1.167 3149 T CB -0.330 68.370 68.868 -0.280 0.000 0.863 3149 T HN 0.361 nan 8.240 nan 0.000 0.431 3150 E N -0.187 119.820 120.200 -0.322 0.000 2.209 3150 E HA -0.158 4.191 4.350 -0.000 0.000 0.196 3150 E C 2.446 178.830 176.600 -0.360 0.000 0.993 3150 E CA 0.725 56.938 56.400 -0.312 0.000 0.819 3150 E CB 0.120 29.667 29.700 -0.256 0.000 0.745 3150 E HN 0.136 nan 8.360 nan 0.000 0.477 3151 R N -0.062 120.131 120.500 -0.512 0.000 2.055 3151 R HA 0.003 4.342 4.340 -0.000 0.000 0.226 3151 R C 2.074 178.180 176.300 -0.324 0.000 1.135 3151 R CA 0.633 56.413 56.100 -0.534 0.000 0.959 3151 R CB -0.659 29.127 30.300 -0.857 0.000 0.854 3151 R HN 0.154 nan 8.270 nan 0.000 0.431 3152 L N 0.856 121.946 121.223 -0.223 0.000 2.353 3152 L HA -0.109 4.231 4.340 -0.000 0.000 0.220 3152 L C 1.528 178.407 176.870 0.015 0.000 1.133 3152 L CA 1.757 56.557 54.840 -0.067 0.000 0.798 3152 L CB -1.312 40.868 42.059 0.202 0.000 0.922 3152 L HN 0.280 nan 8.230 nan 0.000 0.445 3153 T N -0.248 114.266 114.554 -0.068 0.000 2.852 3153 T HA -0.116 4.233 4.350 -0.000 0.000 0.256 3153 T C 1.309 175.962 174.700 -0.079 0.000 1.038 3153 T CA 0.754 62.817 62.100 -0.061 0.000 1.141 3153 T CB -0.118 68.645 68.868 -0.175 0.000 0.869 3153 T HN 0.528 nan 8.240 nan 0.000 0.439 3154 E N 1.675 121.803 120.200 -0.120 0.000 2.357 3154 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 3154 E C 0.926 177.468 176.600 -0.096 0.000 1.177 3154 E CA 0.207 56.551 56.400 -0.093 0.000 0.998 3154 E CB -0.152 29.489 29.700 -0.097 0.000 1.106 3154 E HN 0.380 nan 8.360 nan 0.000 0.470 3155 R N -0.934 119.489 120.500 -0.128 0.000 2.519 3155 R HA 0.201 4.541 4.340 -0.000 0.000 0.375 3155 R C 0.883 177.130 176.300 -0.088 0.000 0.926 3155 R CA 0.165 56.144 56.100 -0.201 0.000 1.166 3155 R CB 1.476 31.397 30.300 -0.631 0.000 1.626 3155 R HN 0.321 nan 8.270 nan 0.000 0.529 3156 G N 1.044 109.831 108.800 -0.022 0.000 2.490 3156 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.214 3156 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.214 3156 G C 0.257 175.175 174.900 0.031 0.000 1.151 3156 G CA -0.112 45.007 45.100 0.032 0.000 0.684 3156 G HN 0.063 nan 8.290 nan 0.000 0.518 3157 V N 3.669 123.579 119.914 -0.008 0.000 2.725 3157 V HA 0.036 4.156 4.120 -0.000 0.000 0.283 3157 V C 1.223 177.296 176.094 -0.035 0.000 0.977 3157 V CA 1.220 63.479 62.300 -0.069 0.000 1.184 3157 V CB -0.407 31.314 31.823 -0.168 0.000 0.863 3157 V HN 0.499 nan 8.190 nan 0.000 0.459 3158 K N 4.152 124.537 120.400 -0.026 0.000 2.219 3158 K HA 0.506 4.826 4.320 -0.000 0.000 0.258 3158 K C -0.557 175.900 176.600 -0.238 0.000 1.008 3158 K CA -0.130 56.133 56.287 -0.039 0.000 0.928 3158 K CB 0.724 33.231 32.500 0.012 0.000 0.983 3158 K HN 0.479 nan 8.250 nan 0.000 0.484 3159 F N 1.692 121.333 119.950 -0.516 0.000 2.529 3159 F HA 0.410 4.936 4.527 -0.000 0.000 0.320 3159 F C -0.583 174.865 175.800 -0.586 0.000 1.118 3159 F CA -0.867 56.962 58.000 -0.285 0.000 0.915 3159 F CB 1.110 39.950 39.000 -0.266 0.000 1.161 3159 F HN 0.286 nan 8.300 nan 0.000 0.445 3160 F N 1.518 121.752 119.950 0.475 0.000 2.576 3160 F HA 0.380 4.907 4.527 -0.000 0.000 0.313 3160 F C -0.295 175.785 175.800 0.467 0.000 1.078 3160 F CA -0.994 57.218 58.000 0.354 0.000 0.921 3160 F CB 1.727 40.899 39.000 0.287 0.000 1.232 3160 F HN 0.254 nan 8.300 nan 0.000 0.459 3161 Q N 4.601 124.681 119.800 0.466 0.000 2.465 3161 Q HA 0.414 4.754 4.340 -0.000 0.000 0.237 3161 Q C -1.047 175.074 176.000 0.200 0.000 1.051 3161 Q CA -0.383 55.682 55.803 0.436 0.000 0.874 3161 Q CB 0.771 29.688 28.738 0.299 0.000 1.207 3161 Q HN 0.968 nan 8.270 nan 0.000 0.508 3162 R N 1.352 121.931 120.500 0.131 0.000 2.594 3162 R HA 0.401 4.741 4.340 -0.000 0.000 0.265 3162 R C -1.404 174.878 176.300 -0.030 0.000 1.070 3162 R CA -0.940 55.147 56.100 -0.022 0.000 0.909 3162 R CB 1.142 31.328 30.300 -0.190 0.000 1.243 3162 R HN 0.149 nan 8.270 nan 0.000 0.455 3163 K N 3.087 123.452 120.400 -0.058 0.000 2.266 3163 K HA 0.218 4.538 4.320 -0.000 0.000 0.274 3163 K C -0.580 175.978 176.600 -0.069 0.000 1.090 3163 K CA -0.591 55.656 56.287 -0.067 0.000 0.925 3163 K CB 1.326 33.771 32.500 -0.092 0.000 1.225 3163 K HN 0.479 nan 8.250 nan 0.000 0.458 3164 V N 4.458 124.351 119.914 -0.036 0.000 2.673 3164 V HA -0.052 4.068 4.120 -0.000 0.000 0.303 3164 V C 1.142 177.190 176.094 -0.077 0.000 1.046 3164 V CA 0.450 62.733 62.300 -0.028 0.000 1.126 3164 V CB 1.114 32.965 31.823 0.046 0.000 0.934 3164 V HN 0.858 nan 8.190 nan 0.000 0.487 3165 E N 2.102 122.249 120.200 -0.088 0.000 2.307 3165 E HA 0.113 4.463 4.350 -0.000 0.000 0.195 3165 E C 0.572 177.073 176.600 -0.165 0.000 0.975 3165 E CA 0.676 57.007 56.400 -0.116 0.000 0.878 3165 E CB 0.826 30.471 29.700 -0.092 0.000 0.845 3165 E HN 0.811 nan 8.360 nan 0.000 0.488 3166 S N -1.028 114.572 115.700 -0.168 0.000 2.543 3166 S HA 0.255 4.725 4.470 -0.000 0.000 0.274 3166 S C 0.263 174.770 174.600 -0.155 0.000 1.149 3166 S CA -0.713 57.334 58.200 -0.255 0.000 0.866 3166 S CB 0.051 63.166 63.200 -0.140 0.000 1.111 3166 S HN -0.131 nan 8.310 nan 0.000 0.457 3167 F N 1.506 121.466 119.950 0.016 0.000 2.115 3167 F HA -0.054 4.473 4.527 -0.001 0.000 0.300 3167 F C 2.387 178.196 175.800 0.015 0.000 1.092 3167 F CA 1.865 59.874 58.000 0.014 0.000 1.245 3167 F CB -1.193 37.818 39.000 0.017 0.000 0.995 3167 F HN 0.649 nan 8.300 nan 0.000 0.481 3168 E N 0.176 120.475 120.200 0.165 0.000 2.023 3168 E HA -0.218 4.131 4.350 -0.000 0.000 0.196 3168 E C 2.191 178.828 176.600 0.062 0.000 1.003 3168 E CA 1.295 57.753 56.400 0.096 0.000 0.809 3168 E CB -0.565 29.171 29.700 0.060 0.000 0.755 3168 E HN 0.255 nan 8.360 nan 0.000 0.449 3169 E N 0.240 120.458 120.200 0.030 0.000 2.271 3169 E HA -0.256 4.094 4.350 -0.000 0.000 0.209 3169 E C 1.648 178.270 176.600 0.037 0.000 1.046 3169 E CA 1.557 57.964 56.400 0.012 0.000 0.840 3169 E CB 0.084 29.773 29.700 -0.018 0.000 0.738 3169 E HN 0.163 nan 8.360 nan 0.000 0.470 3170 V N -0.577 119.384 119.914 0.078 0.000 3.212 3170 V HA 0.084 4.203 4.120 -0.000 0.000 0.244 3170 V C 2.213 178.357 176.094 0.084 0.000 1.151 3170 V CA 0.932 63.297 62.300 0.107 0.000 1.119 3170 V CB 0.084 32.007 31.823 0.167 0.000 0.838 3170 V HN 0.279 nan 8.190 nan 0.000 0.470 3171 A N 0.591 123.461 122.820 0.084 0.000 1.930 3171 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 3171 A C 2.325 179.934 177.584 0.041 0.000 1.175 3171 A CA 1.982 54.054 52.037 0.059 0.000 0.627 3171 A CB -0.526 18.516 19.000 0.069 0.000 0.815 3171 A HN 0.429 nan 8.150 nan 0.000 0.443 3172 R N 0.449 120.973 120.500 0.040 0.000 2.096 3172 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 3172 R C 2.070 178.381 176.300 0.019 0.000 1.127 3172 R CA 1.889 58.004 56.100 0.025 0.000 0.968 3172 R CB -0.279 30.032 30.300 0.019 0.000 0.861 3172 R HN 0.808 nan 8.270 nan 0.000 0.440 3173 E N -1.550 118.665 120.200 0.025 0.000 2.347 3173 E HA -0.022 4.327 4.350 -0.000 0.000 0.196 3173 E C 0.893 177.503 176.600 0.017 0.000 1.008 3173 E CA 1.020 57.430 56.400 0.017 0.000 0.852 3173 E CB 0.352 30.064 29.700 0.020 0.000 0.783 3173 E HN 0.463 nan 8.360 nan 0.000 0.505 3174 G N 0.026 108.838 108.800 0.021 0.000 2.559 3174 G HA2 -0.023 3.936 3.960 -0.000 0.000 0.202 3174 G HA3 -0.023 3.936 3.960 -0.000 0.000 0.202 3174 G C 0.231 175.137 174.900 0.011 0.000 0.992 3174 G CA -0.275 44.833 45.100 0.013 0.000 0.764 3174 G HN 0.536 nan 8.290 nan 0.000 0.525 3175 A N 0.273 123.100 122.820 0.013 0.000 2.346 3175 A HA 0.592 4.912 4.320 -0.000 0.000 0.252 3175 A C 0.983 178.569 177.584 0.004 0.000 1.089 3175 A CA 0.936 52.974 52.037 0.002 0.000 0.797 3175 A CB 0.447 19.445 19.000 -0.003 0.000 1.047 3175 A HN 0.120 nan 8.150 nan 0.000 0.494 3176 D N -0.924 119.478 120.400 0.003 0.000 2.469 3176 D HA 0.223 4.862 4.640 -0.000 0.000 0.240 3176 D C -0.239 176.060 176.300 -0.001 0.000 1.087 3176 D CA 0.579 54.580 54.000 0.001 0.000 0.876 3176 D CB 0.372 41.173 40.800 0.002 0.000 1.160 3176 D HN 0.202 nan 8.370 nan 0.000 0.497 3177 V N 1.585 121.507 119.914 0.012 0.000 2.709 3177 V HA 0.439 4.559 4.120 -0.000 0.000 0.308 3177 V C -0.645 175.431 176.094 -0.030 0.000 1.062 3177 V CA -0.746 61.562 62.300 0.012 0.000 0.901 3177 V CB 2.912 34.803 31.823 0.113 0.000 1.003 3177 V HN -0.064 nan 8.190 nan 0.000 0.425 3178 I N 4.265 124.790 120.570 -0.075 0.000 2.448 3178 I HA 0.338 4.508 4.170 -0.000 0.000 0.281 3178 I C -0.471 175.545 176.117 -0.169 0.000 1.027 3178 I CA -0.792 60.441 61.300 -0.112 0.000 1.111 3178 I CB 1.955 39.897 38.000 -0.097 0.000 1.236 3178 I HN 0.352 nan 8.210 nan 0.000 0.452 3179 V N 4.280 124.117 119.914 -0.129 0.000 2.370 3179 V HA 0.120 4.240 4.120 -0.000 0.000 0.257 3179 V C 0.526 176.556 176.094 -0.107 0.000 1.064 3179 V CA -0.496 61.729 62.300 -0.124 0.000 0.975 3179 V CB 0.276 32.035 31.823 -0.106 0.000 1.067 3179 V HN 0.637 nan 8.190 nan 0.000 0.485 3180 N N 4.212 122.808 118.700 -0.172 0.000 2.466 3180 N HA 0.144 4.884 4.740 -0.000 0.000 0.263 3180 N C -0.199 175.365 175.510 0.090 0.000 1.178 3180 N CA -0.123 52.878 53.050 -0.082 0.000 0.983 3180 N CB 0.082 38.367 38.487 -0.338 0.000 1.331 3180 N HN 0.736 nan 8.380 nan 0.000 0.500 3181 C N 2.037 121.390 119.300 0.087 0.000 2.667 3181 C HA 0.215 4.674 4.460 -0.000 0.000 0.261 3181 C C 1.635 176.698 174.990 0.122 0.000 1.590 3181 C CA -0.537 58.552 59.018 0.119 0.000 1.668 3181 C CB -1.365 26.407 27.740 0.052 0.000 2.962 3181 C HN 0.753 nan 8.230 nan 0.000 0.525 3182 T N -2.332 112.311 114.554 0.148 0.000 3.107 3182 T HA 0.415 4.764 4.350 -0.000 0.000 0.249 3182 T C 1.341 176.168 174.700 0.212 0.000 1.096 3182 T CA 0.810 63.013 62.100 0.170 0.000 1.012 3182 T CB 0.252 69.211 68.868 0.151 0.000 0.977 3182 T HN 0.957 nan 8.240 nan 0.000 0.527 3183 G N 1.395 110.311 108.800 0.193 0.000 2.566 3183 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.280 3183 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.280 3183 G C 0.884 175.837 174.900 0.087 0.000 1.225 3183 G CA 0.230 45.431 45.100 0.167 0.000 0.966 3183 G HN 0.728 nan 8.290 nan 0.000 0.560 3184 V N 0.336 120.182 119.914 -0.114 0.000 2.511 3184 V HA -0.124 3.996 4.120 -0.000 0.000 0.257 3184 V C 1.831 177.875 176.094 -0.085 0.000 1.088 3184 V CA 2.941 65.112 62.300 -0.215 0.000 1.098 3184 V CB -0.401 31.107 31.823 -0.525 0.000 0.674 3184 V HN 0.589 nan 8.190 nan 0.000 0.470 3185 W N -0.949 120.475 121.300 0.207 0.000 3.305 3185 W HA 0.474 5.134 4.660 -0.001 0.000 0.392 3185 W C 1.907 178.420 176.519 -0.009 0.000 1.121 3185 W CA 0.066 57.486 57.345 0.124 0.000 1.909 3185 W CB -0.975 28.540 29.460 0.092 0.000 1.065 3185 W HN 0.416 nan 8.180 nan 0.000 0.714 3186 A N 1.173 124.022 122.820 0.048 0.000 1.917 3186 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 3186 A C 2.378 179.902 177.584 -0.099 0.000 1.182 3186 A CA 2.373 54.276 52.037 -0.223 0.000 0.633 3186 A CB -1.156 17.208 19.000 -1.059 0.000 0.819 3186 A HN 0.317 nan 8.150 nan 0.000 0.448 3187 G N -0.171 108.621 108.800 -0.013 0.000 2.631 3187 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 3187 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 3187 G C 1.801 176.681 174.900 -0.033 0.000 1.214 3187 G CA 2.170 47.276 45.100 0.011 0.000 0.785 3187 G HN 1.214 nan 8.290 nan 0.000 0.596 3188 A N -0.181 122.616 122.820 -0.039 0.000 2.171 3188 A HA -0.067 4.252 4.320 -0.000 0.000 0.223 3188 A C 2.367 179.859 177.584 -0.154 0.000 1.166 3188 A CA 1.857 53.841 52.037 -0.089 0.000 0.668 3188 A CB -0.305 18.646 19.000 -0.081 0.000 0.807 3188 A HN 0.448 nan 8.150 nan 0.000 0.475 3189 L N -3.032 118.070 121.223 -0.202 0.000 2.388 3189 L HA 0.172 4.512 4.340 -0.000 0.000 0.209 3189 L C 1.280 177.891 176.870 -0.432 0.000 1.061 3189 L CA 0.594 55.153 54.840 -0.469 0.000 0.834 3189 L CB 0.282 41.924 42.059 -0.694 0.000 1.029 3189 L HN 0.581 nan 8.230 nan 0.000 0.473 3190 Q N 0.960 120.694 119.800 -0.109 0.000 3.068 3190 Q HA 0.108 4.448 4.340 -0.000 0.000 0.209 3190 Q C -0.751 175.304 176.000 0.092 0.000 0.802 3190 Q CA -0.373 55.476 55.803 0.076 0.000 0.848 3190 Q CB 1.178 30.151 28.738 0.392 0.000 1.459 3190 Q HN 0.125 nan 8.270 nan 0.000 0.455 3191 R N 2.353 122.880 120.500 0.044 0.000 2.538 3191 R HA -0.066 4.273 4.340 -0.000 0.000 0.273 3191 R C -1.136 175.218 176.300 0.091 0.000 0.967 3191 R CA 0.957 57.088 56.100 0.051 0.000 1.101 3191 R CB 0.497 30.813 30.300 0.026 0.000 0.908 3191 R HN 0.523 nan 8.270 nan 0.000 0.411 3192 D N 5.125 125.594 120.400 0.114 0.000 2.593 3192 D HA 0.262 4.902 4.640 -0.000 0.000 0.251 3192 D C -1.613 174.763 176.300 0.126 0.000 1.140 3192 D CA -1.940 52.149 54.000 0.148 0.000 0.855 3192 D CB 2.027 42.980 40.800 0.255 0.000 1.267 3192 D HN 0.385 nan 8.370 nan 0.000 0.532 3193 P HA 0.037 nan 4.420 nan 0.000 0.221 3193 P C 1.639 178.995 177.300 0.094 0.000 1.155 3193 P CA 0.265 63.416 63.100 0.086 0.000 0.812 3193 P CB 0.753 32.491 31.700 0.064 0.000 0.801 3194 L N -1.214 120.066 121.223 0.095 0.000 2.291 3194 L HA -0.003 4.337 4.340 -0.000 0.000 0.214 3194 L C 1.357 178.292 176.870 0.109 0.000 1.120 3194 L CA 0.214 55.107 54.840 0.089 0.000 0.799 3194 L CB -0.579 41.522 42.059 0.070 0.000 0.925 3194 L HN 0.010 nan 8.230 nan 0.000 0.446 3195 L N 2.232 123.543 121.223 0.147 0.000 2.356 3195 L HA 0.130 4.470 4.340 -0.000 0.000 0.282 3195 L C 0.294 177.255 176.870 0.152 0.000 1.132 3195 L CA 0.170 55.115 54.840 0.174 0.000 0.923 3195 L CB 0.126 42.352 42.059 0.277 0.000 1.278 3195 L HN 0.170 nan 8.230 nan 0.000 0.436 3196 Q N 5.342 125.197 119.800 0.093 0.000 2.266 3196 Q HA 0.650 4.989 4.340 -0.000 0.000 0.261 3196 Q C -2.671 173.248 176.000 -0.136 0.000 0.985 3196 Q CA -2.351 53.466 55.803 0.023 0.000 0.873 3196 Q CB 1.533 30.282 28.738 0.019 0.000 1.306 3196 Q HN 0.315 nan 8.270 nan 0.000 0.447 3197 P HA 0.126 nan 4.420 nan 0.000 0.285 3197 P C -0.498 176.527 177.300 -0.458 0.000 1.259 3197 P CA -0.126 62.600 63.100 -0.622 0.000 0.794 3197 P CB 1.113 31.894 31.700 -1.531 0.000 0.940 3198 G N 3.560 112.184 108.800 -0.294 0.000 2.607 3198 G HA2 0.227 4.187 3.960 -0.000 0.000 0.332 3198 G HA3 0.227 4.187 3.960 -0.000 0.000 0.332 3198 G C 0.086 174.874 174.900 -0.187 0.000 1.046 3198 G CA -0.598 44.225 45.100 -0.460 0.000 1.099 3198 G HN 0.486 nan 8.290 nan 0.000 0.451 3199 R N 2.160 122.564 120.500 -0.160 0.000 2.484 3199 R HA 0.355 4.694 4.340 -0.000 0.000 0.293 3199 R C 0.395 176.692 176.300 -0.005 0.000 1.023 3199 R CA 0.184 56.326 56.100 0.071 0.000 1.037 3199 R CB 0.346 30.717 30.300 0.118 0.000 0.951 3199 R HN 0.433 nan 8.270 nan 0.000 0.418 3200 G N 2.880 111.667 108.800 -0.022 0.000 2.452 3200 G HA2 0.312 4.272 3.960 -0.000 0.000 0.324 3200 G HA3 0.312 4.272 3.960 -0.000 0.000 0.324 3200 G C -1.554 173.329 174.900 -0.029 0.000 1.214 3200 G CA -0.524 44.589 45.100 0.022 0.000 0.947 3200 G HN 0.598 nan 8.290 nan 0.000 0.478 3201 Q N 0.853 120.660 119.800 0.012 0.000 2.292 3201 Q HA 0.595 4.935 4.340 -0.000 0.000 0.270 3201 Q C -0.613 175.396 176.000 0.015 0.000 1.024 3201 Q CA -0.775 55.031 55.803 0.005 0.000 0.768 3201 Q CB 1.687 30.437 28.738 0.019 0.000 1.250 3201 Q HN 0.723 nan 8.270 nan 0.000 0.447 3202 I N -0.292 120.293 120.570 0.024 0.000 3.023 3202 I HA 0.725 4.895 4.170 -0.000 0.000 0.312 3202 I C -1.090 175.059 176.117 0.053 0.000 1.056 3202 I CA -1.305 60.015 61.300 0.034 0.000 1.033 3202 I CB 2.318 40.358 38.000 0.066 0.000 1.233 3202 I HN 0.669 nan 8.210 nan 0.000 0.462 3203 M N 2.530 122.166 119.600 0.061 0.000 2.267 3203 M HA 0.486 4.966 4.480 -0.000 0.000 0.289 3203 M C -1.643 174.709 176.300 0.088 0.000 1.043 3203 M CA -0.456 54.904 55.300 0.099 0.000 0.928 3203 M CB 1.904 34.589 32.600 0.141 0.000 1.613 3203 M HN 0.591 nan 8.290 nan 0.000 0.450 3204 K N 3.112 123.561 120.400 0.081 0.000 2.235 3204 K HA 0.713 5.033 4.320 -0.000 0.000 0.266 3204 K C -1.454 175.190 176.600 0.073 0.000 0.980 3204 K CA -0.632 55.693 56.287 0.063 0.000 0.849 3204 K CB 2.483 35.010 32.500 0.045 0.000 1.098 3204 K HN 0.477 nan 8.250 nan 0.000 0.445 3205 V N 1.678 121.628 119.914 0.060 0.000 3.078 3205 V HA 0.242 4.362 4.120 -0.000 0.000 0.311 3205 V C -1.541 174.557 176.094 0.006 0.000 1.138 3205 V CA -0.785 61.557 62.300 0.070 0.000 1.007 3205 V CB 2.321 34.228 31.823 0.140 0.000 1.045 3205 V HN 0.735 nan 8.190 nan 0.000 0.432 3206 D N 4.031 124.441 120.400 0.017 0.000 2.468 3206 D HA 0.637 5.277 4.640 -0.000 0.000 0.218 3206 D C -0.055 176.191 176.300 -0.091 0.000 1.155 3206 D CA 0.448 54.437 54.000 -0.018 0.000 0.924 3206 D CB 0.924 41.742 40.800 0.031 0.000 1.029 3206 D HN 0.825 nan 8.370 nan 0.000 0.515 3207 A N 4.950 127.590 122.820 -0.300 0.000 3.409 3207 A HA 0.324 4.643 4.320 -0.000 0.000 0.282 3207 A C -1.852 175.211 177.584 -0.869 0.000 1.064 3207 A CA -0.760 50.758 52.037 -0.866 0.000 0.889 3207 A CB 0.875 19.264 19.000 -1.017 0.000 1.251 3207 A HN 0.322 nan 8.150 nan 0.000 0.538 3208 P HA -0.157 nan 4.420 nan 0.000 0.225 3208 P C 1.177 178.391 177.300 -0.143 0.000 1.148 3208 P CA 1.036 64.013 63.100 -0.205 0.000 0.779 3208 P CB -0.278 31.396 31.700 -0.043 0.000 0.780 3209 W N -0.995 120.303 121.300 -0.003 0.000 2.465 3209 W HA 0.100 4.760 4.660 -0.000 0.000 0.268 3209 W C 0.830 177.342 176.519 -0.012 0.000 1.242 3209 W CA -0.129 57.210 57.345 -0.009 0.000 1.248 3209 W CB -1.491 27.968 29.460 -0.002 0.000 1.118 3209 W HN -0.292 nan 8.180 nan 0.000 0.587 3210 M N 2.631 121.890 119.600 -0.567 0.000 2.268 3210 M HA 0.062 4.541 4.480 -0.000 0.000 0.349 3210 M C 0.359 176.566 176.300 -0.156 0.000 1.485 3210 M CA 1.121 56.240 55.300 -0.300 0.000 1.094 3210 M CB 0.621 32.972 32.600 -0.415 0.000 1.843 3210 M HN 0.170 nan 8.290 nan 0.000 0.460 3211 K N 2.295 122.625 120.400 -0.116 0.000 2.589 3211 K HA 0.242 4.562 4.320 -0.000 0.000 0.198 3211 K C -0.695 175.731 176.600 -0.290 0.000 1.114 3211 K CA -0.083 56.090 56.287 -0.189 0.000 1.070 3211 K CB 0.814 33.170 32.500 -0.239 0.000 0.860 3211 K HN 0.706 nan 8.250 nan 0.000 0.536 3212 H N -0.289 118.809 119.070 0.048 0.000 2.851 3212 H HA 0.295 4.851 4.556 -0.000 0.000 0.372 3212 H C -1.062 174.265 175.328 -0.003 0.000 1.158 3212 H CA -1.219 54.805 56.048 -0.039 0.000 1.159 3212 H CB 1.471 31.280 29.762 0.077 0.000 1.757 3212 H HN -0.018 nan 8.280 nan 0.000 0.546 3213 F N 0.860 120.896 119.950 0.144 0.000 2.399 3213 F HA 0.603 5.130 4.527 -0.001 0.000 0.334 3213 F C -0.823 174.999 175.800 0.038 0.000 1.097 3213 F CA -1.186 56.843 58.000 0.048 0.000 1.076 3213 F CB 0.377 39.362 39.000 -0.026 0.000 1.162 3213 F HN 0.263 nan 8.300 nan 0.000 0.495 3214 I N 5.302 126.012 120.570 0.232 0.000 2.502 3214 I HA 0.257 4.427 4.170 -0.000 0.000 0.276 3214 I C -0.988 175.096 176.117 -0.054 0.000 1.057 3214 I CA -0.406 60.902 61.300 0.015 0.000 1.163 3214 I CB 1.051 38.937 38.000 -0.191 0.000 1.288 3214 I HN 0.539 nan 8.210 nan 0.000 0.479 3215 L N 5.740 126.942 121.223 -0.035 0.000 2.290 3215 L HA 0.447 4.787 4.340 -0.000 0.000 0.284 3215 L C 0.593 177.115 176.870 -0.581 0.000 1.078 3215 L CA -0.342 54.354 54.840 -0.241 0.000 0.815 3215 L CB 0.960 42.918 42.059 -0.168 0.000 1.162 3215 L HN 0.561 nan 8.230 nan 0.000 0.435 3216 T N -1.236 112.928 114.554 -0.650 0.000 2.895 3216 T HA 0.510 4.860 4.350 -0.000 0.000 0.283 3216 T C -0.372 173.871 174.700 -0.763 0.000 1.014 3216 T CA -0.838 60.785 62.100 -0.796 0.000 1.037 3216 T CB 1.569 70.064 68.868 -0.621 0.000 1.006 3216 T HN 0.400 nan 8.240 nan 0.000 0.468 3217 H N 1.246 120.073 119.070 -0.405 0.000 2.637 3217 H HA 0.563 5.119 4.556 -0.000 0.000 0.363 3217 H C -1.216 174.141 175.328 0.049 0.000 1.131 3217 H CA -0.618 55.310 56.048 -0.200 0.000 1.183 3217 H CB 2.301 31.818 29.762 -0.409 0.000 1.637 3217 H HN 0.707 nan 8.280 nan 0.000 0.531 3218 D N 2.849 123.394 120.400 0.242 0.000 2.855 3218 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 3218 D C -2.116 174.299 176.300 0.192 0.000 1.277 3218 D CA -1.703 52.450 54.000 0.256 0.000 0.918 3218 D CB 2.871 43.801 40.800 0.217 0.000 1.462 3218 D HN 0.165 nan 8.370 nan 0.000 0.559 3219 P HA 0.013 nan 4.420 nan 0.000 0.225 3219 P C 0.961 178.309 177.300 0.081 0.000 1.156 3219 P CA 0.565 63.733 63.100 0.113 0.000 0.787 3219 P CB 0.795 32.560 31.700 0.109 0.000 0.802 3220 E N 1.236 121.491 120.200 0.092 0.000 1.998 3220 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 3220 E C 1.660 178.301 176.600 0.068 0.000 0.994 3220 E CA 1.043 57.483 56.400 0.068 0.000 0.835 3220 E CB -0.939 28.797 29.700 0.060 0.000 0.786 3220 E HN 0.386 nan 8.360 nan 0.000 0.467 3221 R N 1.924 122.472 120.500 0.080 0.000 2.362 3221 R HA 0.127 4.467 4.340 -0.000 0.000 0.204 3221 R C 0.852 177.208 176.300 0.092 0.000 1.088 3221 R CA 0.660 56.812 56.100 0.087 0.000 1.121 3221 R CB -0.990 29.365 30.300 0.091 0.000 0.954 3221 R HN 0.218 nan 8.270 nan 0.000 0.478 3222 G N 1.497 110.334 108.800 0.062 0.000 2.796 3222 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.226 3222 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.226 3222 G C -0.310 174.557 174.900 -0.055 0.000 1.381 3222 G CA -0.209 44.894 45.100 0.005 0.000 0.867 3222 G HN 0.356 nan 8.290 nan 0.000 0.552 3223 I N -0.191 120.221 120.570 -0.264 0.000 2.813 3223 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 3223 I C 1.205 177.160 176.117 -0.269 0.000 1.196 3223 I CA 0.113 61.147 61.300 -0.442 0.000 1.421 3223 I CB -0.274 37.170 38.000 -0.926 0.000 1.365 3223 I HN 0.996 nan 8.210 nan 0.000 0.591 3224 Y N 4.644 124.891 120.300 -0.089 0.000 3.515 3224 Y HA -0.288 4.261 4.550 -0.000 0.000 0.214 3224 Y C 1.203 177.214 175.900 0.185 0.000 1.166 3224 Y CA 0.999 59.151 58.100 0.088 0.000 1.435 3224 Y CB -2.173 36.366 38.460 0.131 0.000 1.414 3224 Y HN 0.749 nan 8.280 nan 0.000 0.608 3225 N N -0.599 118.257 118.700 0.260 0.000 2.200 3225 N HA 0.099 4.839 4.740 -0.000 0.000 0.224 3225 N C -0.481 175.104 175.510 0.125 0.000 1.179 3225 N CA 0.344 53.517 53.050 0.206 0.000 0.877 3225 N CB 0.609 39.218 38.487 0.203 0.000 1.072 3225 N HN 0.104 nan 8.380 nan 0.000 0.519 3226 S N 1.499 117.265 115.700 0.110 0.000 2.489 3226 S HA 0.481 4.951 4.470 -0.000 0.000 0.291 3226 S C -2.594 171.991 174.600 -0.025 0.000 1.151 3226 S CA -0.991 57.231 58.200 0.037 0.000 1.082 3226 S CB 1.964 65.152 63.200 -0.020 0.000 1.019 3226 S HN 0.091 nan 8.310 nan 0.000 0.492 3227 P HA 0.101 nan 4.420 nan 0.000 0.260 3227 P C -1.127 176.075 177.300 -0.163 0.000 1.185 3227 P CA 0.182 63.178 63.100 -0.174 0.000 0.763 3227 P CB -0.211 31.417 31.700 -0.120 0.000 0.776 3228 Y N 1.994 122.216 120.300 -0.129 0.000 2.524 3228 Y HA 0.797 5.347 4.550 -0.001 0.000 0.344 3228 Y C -0.670 175.170 175.900 -0.099 0.000 1.012 3228 Y CA -1.904 56.108 58.100 -0.147 0.000 1.068 3228 Y CB 1.198 39.559 38.460 -0.166 0.000 1.249 3228 Y HN 0.123 nan 8.280 nan 0.000 0.468 3229 I N 4.132 124.808 120.570 0.177 0.000 2.521 3229 I HA 0.294 4.463 4.170 -0.000 0.000 0.277 3229 I C -1.472 174.750 176.117 0.177 0.000 1.054 3229 I CA -0.408 60.968 61.300 0.126 0.000 1.117 3229 I CB 1.069 39.093 38.000 0.040 0.000 1.217 3229 I HN 0.477 nan 8.210 nan 0.000 0.469 3230 I N 8.612 129.285 120.570 0.172 0.000 2.330 3230 I HA 0.310 4.479 4.170 -0.000 0.000 0.286 3230 I C -2.174 174.013 176.117 0.116 0.000 1.025 3230 I CA -2.064 59.314 61.300 0.130 0.000 1.197 3230 I CB 0.912 38.913 38.000 0.000 0.000 1.358 3230 I HN 0.247 nan 8.210 nan 0.000 0.467 3231 P HA 0.180 nan 4.420 nan 0.000 0.280 3231 P C 0.415 177.811 177.300 0.161 0.000 1.300 3231 P CA -0.042 63.108 63.100 0.083 0.000 0.785 3231 P CB 1.041 32.765 31.700 0.040 0.000 0.874 3232 G N 2.767 111.643 108.800 0.126 0.000 2.481 3232 G HA2 0.129 4.089 3.960 -0.000 0.000 0.251 3232 G HA3 0.129 4.089 3.960 -0.000 0.000 0.251 3232 G C 1.168 176.090 174.900 0.038 0.000 1.492 3232 G CA 0.632 45.851 45.100 0.198 0.000 1.060 3232 G HN 0.462 nan 8.290 nan 0.000 0.553 3233 T N -2.667 111.850 114.554 -0.062 0.000 2.925 3233 T HA -0.008 4.342 4.350 -0.000 0.000 0.245 3233 T C 1.922 176.530 174.700 -0.154 0.000 1.025 3233 T CA 1.373 63.309 62.100 -0.274 0.000 1.149 3233 T CB -0.092 68.585 68.868 -0.318 0.000 0.866 3233 T HN 0.271 nan 8.240 nan 0.000 0.437 3234 Q N 0.558 120.310 119.800 -0.079 0.000 2.402 3234 Q HA 0.301 4.641 4.340 -0.000 0.000 0.206 3234 Q C 0.984 176.958 176.000 -0.044 0.000 0.919 3234 Q CA 0.560 56.329 55.803 -0.057 0.000 0.923 3234 Q CB 0.673 29.392 28.738 -0.032 0.000 1.048 3234 Q HN 0.573 nan 8.270 nan 0.000 0.515 3235 T N -0.998 113.536 114.554 -0.034 0.000 2.647 3235 T HA 0.545 4.894 4.350 -0.000 0.000 0.295 3235 T C -1.614 173.070 174.700 -0.027 0.000 1.126 3235 T CA -0.565 61.517 62.100 -0.029 0.000 1.040 3235 T CB 1.629 70.495 68.868 -0.003 0.000 1.472 3235 T HN -0.199 nan 8.240 nan 0.000 0.500 3236 V N 1.724 121.622 119.914 -0.027 0.000 2.656 3236 V HA 0.590 4.710 4.120 -0.000 0.000 0.307 3236 V C -0.270 175.837 176.094 0.021 0.000 1.051 3236 V CA -0.740 61.548 62.300 -0.019 0.000 0.893 3236 V CB 2.089 33.857 31.823 -0.092 0.000 0.999 3236 V HN 1.033 nan 8.190 nan 0.000 0.426 3237 T N 5.652 120.238 114.554 0.053 0.000 2.767 3237 T HA 0.662 5.012 4.350 -0.000 0.000 0.284 3237 T C -0.597 174.155 174.700 0.086 0.000 0.973 3237 T CA -0.342 61.808 62.100 0.084 0.000 0.996 3237 T CB 1.017 69.957 68.868 0.121 0.000 0.927 3237 T HN 0.203 nan 8.240 nan 0.000 0.456 3238 L N 2.948 124.189 121.223 0.030 0.000 2.317 3238 L HA 0.847 5.187 4.340 -0.000 0.000 0.281 3238 L C 0.730 177.450 176.870 -0.250 0.000 1.024 3238 L CA 0.199 54.990 54.840 -0.081 0.000 0.810 3238 L CB 1.449 43.483 42.059 -0.041 0.000 1.240 3238 L HN 0.918 nan 8.230 nan 0.000 0.427 3239 G N 0.007 108.365 108.800 -0.737 0.000 2.706 3239 G HA2 0.598 4.558 3.960 -0.000 0.000 0.307 3239 G HA3 0.598 4.558 3.960 -0.000 0.000 0.307 3239 G C -0.476 173.738 174.900 -1.142 0.000 1.307 3239 G CA -0.136 44.237 45.100 -1.211 0.000 0.790 3239 G HN 0.903 nan 8.290 nan 0.000 0.503 3240 G N -0.917 107.393 108.800 -0.816 0.000 2.419 3240 G HA2 0.219 4.178 3.960 -0.000 0.000 0.228 3240 G HA3 0.219 4.178 3.960 -0.000 0.000 0.228 3240 G C -0.656 174.225 174.900 -0.030 0.000 1.177 3240 G CA -0.185 44.758 45.100 -0.261 0.000 0.876 3240 G HN 0.816 nan 8.290 nan 0.000 0.493 3241 I N 0.478 121.094 120.570 0.076 0.000 2.534 3241 I HA 0.562 4.732 4.170 -0.000 0.000 0.286 3241 I C -1.307 174.983 176.117 0.288 0.000 1.094 3241 I CA -0.945 60.443 61.300 0.146 0.000 1.055 3241 I CB 1.987 40.028 38.000 0.068 0.000 1.225 3241 I HN 0.159 nan 8.210 nan 0.000 0.435 3242 F N 6.562 126.588 119.950 0.127 0.000 2.617 3242 F HA 0.522 5.049 4.527 -0.001 0.000 0.325 3242 F C -1.321 174.532 175.800 0.088 0.000 1.179 3242 F CA -0.047 58.035 58.000 0.137 0.000 0.965 3242 F CB 1.463 40.582 39.000 0.199 0.000 1.232 3242 F HN 0.362 nan 8.300 nan 0.000 0.461 3243 Q N 6.892 126.449 119.800 -0.405 0.000 2.290 3243 Q HA 0.461 4.801 4.340 -0.000 0.000 0.269 3243 Q C -1.108 174.617 176.000 -0.458 0.000 1.016 3243 Q CA -0.775 54.853 55.803 -0.292 0.000 0.754 3243 Q CB 2.857 31.534 28.738 -0.102 0.000 1.247 3243 Q HN 0.681 nan 8.270 nan 0.000 0.451 3244 L N 1.420 122.408 121.223 -0.392 0.000 2.456 3244 L HA 0.192 4.531 4.340 -0.000 0.000 0.272 3244 L C 1.294 178.025 176.870 -0.230 0.000 1.189 3244 L CA 0.720 55.366 54.840 -0.323 0.000 0.846 3244 L CB 0.250 42.234 42.059 -0.124 0.000 1.111 3244 L HN 1.060 nan 8.230 nan 0.000 0.475 3245 G N 1.875 110.501 108.800 -0.289 0.000 2.296 3245 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.282 3245 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.282 3245 G C 0.226 174.988 174.900 -0.230 0.000 1.014 3245 G CA 0.293 45.248 45.100 -0.241 0.000 0.812 3245 G HN 0.722 nan 8.290 nan 0.000 0.508 3246 N N -0.333 118.171 118.700 -0.328 0.000 2.439 3246 N HA 0.336 5.075 4.740 -0.000 0.000 0.249 3246 N C 0.161 175.480 175.510 -0.317 0.000 1.003 3246 N CA -0.848 52.104 53.050 -0.163 0.000 0.942 3246 N CB 0.403 38.861 38.487 -0.048 0.000 1.115 3246 N HN 0.278 nan 8.380 nan 0.000 0.505 3247 W N 2.077 123.282 121.300 -0.158 0.000 3.151 3247 W HA 0.256 4.916 4.660 -0.001 0.000 0.424 3247 W C 0.916 177.454 176.519 0.031 0.000 1.012 3247 W CA -0.560 56.590 57.345 -0.325 0.000 2.018 3247 W CB 0.179 29.486 29.460 -0.256 0.000 1.087 3247 W HN 0.386 nan 8.180 nan 0.000 0.740 3248 S N 1.624 117.527 115.700 0.337 0.000 2.405 3248 S HA 0.069 4.539 4.470 -0.000 0.000 0.291 3248 S C 0.251 175.138 174.600 0.477 0.000 1.137 3248 S CA -0.310 58.092 58.200 0.337 0.000 1.061 3248 S CB 0.263 63.587 63.200 0.206 0.000 1.001 3248 S HN 0.285 nan 8.310 nan 0.000 0.507 3249 E N 4.886 125.383 120.200 0.494 0.000 2.028 3249 E HA 0.361 4.711 4.350 -0.000 0.000 0.275 3249 E C -0.869 175.820 176.600 0.148 0.000 1.171 3249 E CA -0.289 56.305 56.400 0.323 0.000 1.186 3249 E CB 0.079 30.016 29.700 0.396 0.000 1.256 3249 E HN 0.601 nan 8.360 nan 0.000 0.474 3250 L N 1.781 123.065 121.223 0.102 0.000 2.582 3250 L HA 0.408 4.747 4.340 -0.000 0.000 0.257 3250 L C -1.578 175.316 176.870 0.040 0.000 0.974 3250 L CA -0.797 54.081 54.840 0.064 0.000 0.851 3250 L CB 1.884 43.988 42.059 0.076 0.000 1.424 3250 L HN 0.034 nan 8.230 nan 0.000 0.412 3251 N N 2.247 120.959 118.700 0.020 0.000 2.525 3251 N HA 0.254 4.994 4.740 -0.000 0.000 0.271 3251 N C -0.944 174.579 175.510 0.021 0.000 1.194 3251 N CA -0.173 52.885 53.050 0.014 0.000 0.964 3251 N CB 0.775 39.257 38.487 -0.008 0.000 1.126 3251 N HN 0.619 nan 8.380 nan 0.000 0.452 3252 N N 0.522 119.243 118.700 0.036 0.000 2.362 3252 N HA 0.245 4.985 4.740 -0.000 0.000 0.298 3252 N C 0.789 176.334 175.510 0.057 0.000 1.048 3252 N CA -0.554 52.523 53.050 0.046 0.000 0.858 3252 N CB 1.318 39.840 38.487 0.058 0.000 1.218 3252 N HN 0.456 nan 8.380 nan 0.000 0.488 3253 I N 2.376 122.972 120.570 0.044 0.000 2.353 3253 I HA -0.055 4.115 4.170 -0.000 0.000 0.248 3253 I C 1.808 177.986 176.117 0.103 0.000 1.119 3253 I CA 1.501 62.836 61.300 0.057 0.000 1.417 3253 I CB -0.052 37.964 38.000 0.026 0.000 1.078 3253 I HN 0.672 nan 8.210 nan 0.000 0.421 3254 Q N 0.342 120.189 119.800 0.077 0.000 2.311 3254 Q HA -0.137 4.202 4.340 -0.000 0.000 0.203 3254 Q C 1.550 177.597 176.000 0.078 0.000 0.954 3254 Q CA 1.589 57.435 55.803 0.072 0.000 0.885 3254 Q CB -0.274 28.497 28.738 0.054 0.000 0.963 3254 Q HN 0.489 nan 8.270 nan 0.000 0.471 3255 D N -1.465 118.986 120.400 0.086 0.000 2.234 3255 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 3255 D C 1.369 177.730 176.300 0.102 0.000 0.962 3255 D CA 0.837 54.884 54.000 0.079 0.000 0.855 3255 D CB -0.047 40.794 40.800 0.069 0.000 0.951 3255 D HN 0.435 nan 8.370 nan 0.000 0.500 3256 H N 1.107 120.194 119.070 0.027 0.000 2.270 3256 H HA -0.049 4.506 4.556 -0.001 0.000 0.299 3256 H C 1.664 177.037 175.328 0.075 0.000 1.077 3256 H CA 1.971 58.038 56.048 0.032 0.000 1.294 3256 H CB -0.101 29.659 29.762 -0.002 0.000 1.371 3256 H HN -0.026 nan 8.280 nan 0.000 0.491 3257 N N -0.121 118.574 118.700 -0.009 0.000 2.036 3257 N HA -0.154 4.586 4.740 -0.000 0.000 0.195 3257 N C 1.924 177.452 175.510 0.031 0.000 1.037 3257 N CA 2.079 55.122 53.050 -0.012 0.000 0.855 3257 N CB -1.051 37.470 38.487 0.058 0.000 1.033 3257 N HN 0.442 nan 8.380 nan 0.000 0.423 3258 T N 2.227 116.801 114.554 0.033 0.000 2.760 3258 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 3258 T C 1.874 176.572 174.700 -0.004 0.000 1.047 3258 T CA 0.760 62.874 62.100 0.024 0.000 1.139 3258 T CB -0.041 68.844 68.868 0.029 0.000 0.855 3258 T HN 0.155 nan 8.240 nan 0.000 0.471 3259 I N -0.696 119.865 120.570 -0.015 0.000 2.277 3259 I HA -0.034 4.136 4.170 -0.000 0.000 0.243 3259 I C 2.227 178.334 176.117 -0.017 0.000 1.094 3259 I CA 0.780 62.051 61.300 -0.047 0.000 1.393 3259 I CB -1.061 36.915 38.000 -0.040 0.000 1.078 3259 I HN 0.477 nan 8.210 nan 0.000 0.417 3260 W N 2.397 123.566 121.300 -0.219 0.000 2.360 3260 W HA -0.251 4.409 4.660 -0.001 0.000 0.323 3260 W C 2.373 178.831 176.519 -0.103 0.000 1.181 3260 W CA 1.473 58.706 57.345 -0.186 0.000 1.261 3260 W CB -0.428 28.863 29.460 -0.281 0.000 1.195 3260 W HN 0.085 nan 8.180 nan 0.000 0.454 3261 E N -0.168 120.096 120.200 0.107 0.000 2.200 3261 E HA -0.251 4.099 4.350 -0.000 0.000 0.211 3261 E C 2.187 178.745 176.600 -0.070 0.000 1.048 3261 E CA 2.783 59.190 56.400 0.011 0.000 0.851 3261 E CB -1.079 28.674 29.700 0.089 0.000 0.747 3261 E HN 0.442 nan 8.360 nan 0.000 0.462 3262 G N -0.952 107.813 108.800 -0.058 0.000 2.403 3262 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.216 3262 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.216 3262 G C 1.673 176.510 174.900 -0.105 0.000 1.154 3262 G CA 0.880 45.945 45.100 -0.059 0.000 0.784 3262 G HN 0.362 nan 8.290 nan 0.000 0.538 3263 C N -0.126 119.066 119.300 -0.180 0.000 2.475 3263 C HA 0.041 4.500 4.460 -0.000 0.000 0.279 3263 C C 3.058 177.901 174.990 -0.245 0.000 1.322 3263 C CA 0.358 59.249 59.018 -0.210 0.000 1.734 3263 C CB -1.046 26.550 27.740 -0.241 0.000 2.005 3263 C HN 0.585 nan 8.230 nan 0.000 0.495 3264 C N 0.293 119.367 119.300 -0.376 0.000 2.413 3264 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 3264 C C 2.834 177.736 174.990 -0.147 0.000 1.265 3264 C CA 1.090 59.899 59.018 -0.349 0.000 1.752 3264 C CB -1.307 26.142 27.740 -0.484 0.000 1.998 3264 C HN 0.580 nan 8.230 nan 0.000 0.489 3265 R N 0.598 121.042 120.500 -0.093 0.000 2.115 3265 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 3265 R C 1.987 178.310 176.300 0.037 0.000 1.111 3265 R CA 1.202 57.296 56.100 -0.011 0.000 0.976 3265 R CB -0.663 29.644 30.300 0.012 0.000 0.870 3265 R HN 0.547 nan 8.270 nan 0.000 0.445 3266 L N -0.790 120.439 121.223 0.011 0.000 2.068 3266 L HA 0.024 4.363 4.340 -0.000 0.000 0.204 3266 L C 0.054 176.989 176.870 0.108 0.000 1.076 3266 L CA 0.987 55.854 54.840 0.046 0.000 0.753 3266 L CB 0.136 42.151 42.059 -0.074 0.000 0.910 3266 L HN 0.155 nan 8.230 nan 0.000 0.439 3267 E N -0.818 119.404 120.200 0.037 0.000 2.518 3267 E HA 0.195 4.545 4.350 -0.000 0.000 0.240 3267 E C -2.023 174.598 176.600 0.034 0.000 0.996 3267 E CA -1.844 54.603 56.400 0.078 0.000 0.768 3267 E CB 1.339 31.099 29.700 0.099 0.000 1.329 3267 E HN -0.045 nan 8.360 nan 0.000 0.408 3268 P HA -0.201 nan 4.420 nan 0.000 0.220 3268 P C 1.194 178.512 177.300 0.030 0.000 1.144 3268 P CA 1.539 64.641 63.100 0.003 0.000 0.800 3268 P CB 0.059 31.762 31.700 0.005 0.000 0.772 3269 T N -3.364 111.248 114.554 0.098 0.000 2.929 3269 T HA -0.128 4.222 4.350 -0.000 0.000 0.271 3269 T C 1.634 176.535 174.700 0.336 0.000 1.085 3269 T CA 0.775 62.977 62.100 0.170 0.000 1.125 3269 T CB -0.958 68.084 68.868 0.290 0.000 0.874 3269 T HN -0.115 nan 8.240 nan 0.000 0.494 3270 L N 0.554 121.891 121.223 0.191 0.000 2.275 3270 L HA 0.214 4.554 4.340 -0.000 0.000 0.215 3270 L C 2.490 179.355 176.870 -0.007 0.000 1.119 3270 L CA 1.225 56.105 54.840 0.066 0.000 0.790 3270 L CB -1.130 40.809 42.059 -0.200 0.000 0.919 3270 L HN 0.214 nan 8.230 nan 0.000 0.443 3271 K N 0.144 120.531 120.400 -0.021 0.000 2.015 3271 K HA -0.219 4.101 4.320 -0.000 0.000 0.220 3271 K C 1.842 178.624 176.600 0.304 0.000 1.055 3271 K CA 2.010 58.363 56.287 0.110 0.000 0.951 3271 K CB -0.315 32.239 32.500 0.089 0.000 0.725 3271 K HN 0.336 nan 8.250 nan 0.000 0.449 3272 N N 0.544 119.384 118.700 0.233 0.000 2.223 3272 N HA -0.072 4.668 4.740 -0.000 0.000 0.185 3272 N C 0.278 175.972 175.510 0.307 0.000 1.016 3272 N CA 0.940 54.127 53.050 0.228 0.000 0.863 3272 N CB -0.651 37.914 38.487 0.130 0.000 0.983 3272 N HN 0.262 nan 8.380 nan 0.000 0.429 3273 A N 1.389 124.452 122.820 0.406 0.000 2.624 3273 A HA -0.004 4.316 4.320 -0.000 0.000 0.231 3273 A C 0.528 178.310 177.584 0.330 0.000 1.034 3273 A CA 0.333 52.596 52.037 0.376 0.000 0.754 3273 A CB -0.004 19.169 19.000 0.290 0.000 0.953 3273 A HN 0.198 nan 8.150 nan 0.000 0.509 3274 R N 0.992 121.622 120.500 0.216 0.000 2.460 3274 R HA 0.578 4.918 4.340 -0.000 0.000 0.303 3274 R C -0.616 175.751 176.300 0.111 0.000 0.968 3274 R CA -0.508 55.677 56.100 0.141 0.000 0.889 3274 R CB 0.753 31.113 30.300 0.099 0.000 1.123 3274 R HN 0.647 nan 8.270 nan 0.000 0.455 3275 I N 6.140 126.750 120.570 0.067 0.000 2.352 3275 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 3275 I C 0.871 177.009 176.117 0.035 0.000 1.036 3275 I CA -0.287 61.050 61.300 0.061 0.000 1.336 3275 I CB 0.821 38.832 38.000 0.019 0.000 1.407 3275 I HN 0.550 nan 8.210 nan 0.000 0.497 3276 I N 4.254 124.849 120.570 0.043 0.000 2.429 3276 I HA 0.247 4.417 4.170 -0.000 0.000 0.247 3276 I C 1.162 177.290 176.117 0.018 0.000 1.099 3276 I CA 0.585 61.900 61.300 0.026 0.000 1.422 3276 I CB -1.110 36.904 38.000 0.025 0.000 1.112 3276 I HN 0.638 nan 8.210 nan 0.000 0.430 3277 G N 0.579 109.396 108.800 0.029 0.000 2.677 3277 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 3277 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 3277 G C -1.353 173.568 174.900 0.034 0.000 1.435 3277 G CA -0.406 44.706 45.100 0.021 0.000 0.826 3277 G HN 0.031 nan 8.290 nan 0.000 0.491 3278 E N 0.339 120.551 120.200 0.019 0.000 2.256 3278 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 3278 E C -0.822 175.785 176.600 0.012 0.000 0.877 3278 E CA -0.858 55.559 56.400 0.028 0.000 0.757 3278 E CB 2.599 32.310 29.700 0.018 0.000 1.183 3278 E HN 0.252 nan 8.360 nan 0.000 0.418 3279 R N 1.041 121.548 120.500 0.013 0.000 2.725 3279 R HA 0.516 4.856 4.340 -0.000 0.000 0.277 3279 R C -0.771 175.511 176.300 -0.030 0.000 0.987 3279 R CA -0.631 55.465 56.100 -0.008 0.000 0.901 3279 R CB 2.274 32.571 30.300 -0.004 0.000 1.207 3279 R HN 0.453 nan 8.270 nan 0.000 0.463 3280 T N -0.001 114.510 114.554 -0.071 0.000 2.940 3280 T HA 0.830 5.180 4.350 -0.000 0.000 0.288 3280 T C -0.121 174.408 174.700 -0.285 0.000 1.033 3280 T CA -0.627 61.383 62.100 -0.151 0.000 1.033 3280 T CB 2.061 70.843 68.868 -0.144 0.000 1.079 3280 T HN 0.700 nan 8.240 nan 0.000 0.496 3281 G N 0.554 109.089 108.800 -0.441 0.000 2.623 3281 G HA2 0.616 4.576 3.960 -0.000 0.000 0.290 3281 G HA3 0.616 4.576 3.960 -0.000 0.000 0.290 3281 G C -2.166 172.324 174.900 -0.683 0.000 1.437 3281 G CA -0.722 44.041 45.100 -0.562 0.000 0.798 3281 G HN 0.459 nan 8.290 nan 0.000 0.488 3282 F N 0.743 120.616 119.950 -0.128 0.000 2.460 3282 F HA 0.531 5.057 4.527 -0.000 0.000 0.341 3282 F C 0.771 176.436 175.800 -0.226 0.000 1.130 3282 F CA -1.006 56.843 58.000 -0.253 0.000 0.962 3282 F CB 1.962 40.700 39.000 -0.435 0.000 1.171 3282 F HN 0.105 nan 8.300 nan 0.000 0.436 3283 R N 4.188 124.709 120.500 0.035 0.000 2.316 3283 R HA 0.208 4.547 4.340 -0.000 0.000 0.314 3283 R C -2.325 173.985 176.300 0.017 0.000 1.069 3283 R CA -1.558 54.578 56.100 0.061 0.000 0.959 3283 R CB 0.263 30.694 30.300 0.219 0.000 0.987 3283 R HN 0.250 nan 8.270 nan 0.000 0.446 3284 P HA -0.000 nan 4.420 nan 0.000 0.244 3284 P C -0.156 177.185 177.300 0.067 0.000 1.723 3284 P CA 0.045 63.154 63.100 0.014 0.000 1.110 3284 P CB 0.089 31.829 31.700 0.067 0.000 1.972 3285 V N 4.235 124.197 119.914 0.079 0.000 2.529 3285 V HA 0.134 4.254 4.120 -0.000 0.000 0.292 3285 V C 1.042 177.210 176.094 0.123 0.000 1.028 3285 V CA 0.464 62.854 62.300 0.149 0.000 1.074 3285 V CB -0.193 31.747 31.823 0.195 0.000 0.958 3285 V HN 0.440 nan 8.190 nan 0.000 0.481 3286 R N 4.299 124.874 120.500 0.125 0.000 2.536 3286 R HA 0.285 4.625 4.340 -0.000 0.000 0.269 3286 R C -2.145 174.214 176.300 0.099 0.000 1.113 3286 R CA -1.345 54.812 56.100 0.095 0.000 0.948 3286 R CB 2.450 32.780 30.300 0.050 0.000 1.237 3286 R HN 0.394 nan 8.270 nan 0.000 0.441 3287 P HA -0.251 nan 4.420 nan 0.000 0.222 3287 P C -0.529 176.820 177.300 0.081 0.000 1.157 3287 P CA 1.609 64.755 63.100 0.076 0.000 0.905 3287 P CB 0.246 31.976 31.700 0.049 0.000 0.792 3288 Q N -2.493 117.338 119.800 0.052 0.000 2.456 3288 Q HA 0.516 4.855 4.340 -0.000 0.000 0.284 3288 Q C -0.708 175.290 176.000 -0.002 0.000 1.061 3288 Q CA -1.058 54.776 55.803 0.051 0.000 0.799 3288 Q CB 1.125 29.879 28.738 0.027 0.000 1.445 3288 Q HN -0.115 nan 8.270 nan 0.000 0.411 3289 I N 1.194 121.763 120.570 -0.001 0.000 2.754 3289 I HA 0.111 4.280 4.170 -0.000 0.000 0.285 3289 I C 0.416 176.459 176.117 -0.124 0.000 1.166 3289 I CA -0.077 61.149 61.300 -0.122 0.000 1.417 3289 I CB 0.349 38.275 38.000 -0.123 0.000 1.382 3289 I HN 0.532 nan 8.210 nan 0.000 0.588 3290 R N 6.644 126.975 120.500 -0.282 0.000 2.230 3290 R HA 0.363 4.703 4.340 -0.000 0.000 0.337 3290 R C -1.396 174.820 176.300 -0.140 0.000 1.063 3290 R CA -0.501 55.435 56.100 -0.273 0.000 0.935 3290 R CB 0.500 30.449 30.300 -0.585 0.000 1.121 3290 R HN 0.457 nan 8.270 nan 0.000 0.486 3291 L N 6.339 127.563 121.223 0.002 0.000 2.454 3291 L HA 0.405 4.745 4.340 -0.000 0.000 0.258 3291 L C -1.157 175.763 176.870 0.083 0.000 1.025 3291 L CA -0.011 54.856 54.840 0.044 0.000 0.901 3291 L CB 0.730 42.800 42.059 0.020 0.000 1.210 3291 L HN 0.937 nan 8.230 nan 0.000 0.457 3292 E N 3.556 123.803 120.200 0.078 0.000 2.442 3292 E HA 0.492 4.842 4.350 -0.000 0.000 0.278 3292 E C -1.490 175.165 176.600 0.092 0.000 1.082 3292 E CA -1.069 55.376 56.400 0.074 0.000 0.861 3292 E CB 2.303 32.032 29.700 0.049 0.000 1.462 3292 E HN 0.384 nan 8.360 nan 0.000 0.458 3293 R N 0.043 120.584 120.500 0.067 0.000 2.758 3293 R HA 0.464 4.803 4.340 -0.000 0.000 0.265 3293 R C -1.054 175.289 176.300 0.071 0.000 1.016 3293 R CA -0.477 55.660 56.100 0.060 0.000 1.040 3293 R CB 1.727 32.039 30.300 0.020 0.000 1.152 3293 R HN 0.673 nan 8.270 nan 0.000 0.503 3294 E N 1.179 121.415 120.200 0.060 0.000 2.352 3294 E HA 0.127 4.477 4.350 -0.000 0.000 0.280 3294 E C -1.482 175.127 176.600 0.014 0.000 0.930 3294 E CA -0.714 55.717 56.400 0.052 0.000 0.765 3294 E CB 1.670 31.434 29.700 0.107 0.000 1.219 3294 E HN 0.423 nan 8.360 nan 0.000 0.434 3295 Q N 2.633 122.443 119.800 0.015 0.000 2.256 3295 Q HA 0.321 4.661 4.340 -0.000 0.000 0.254 3295 Q C -0.628 175.385 176.000 0.022 0.000 0.916 3295 Q CA -0.687 55.120 55.803 0.007 0.000 0.932 3295 Q CB 1.620 30.362 28.738 0.007 0.000 1.207 3295 Q HN 0.392 nan 8.270 nan 0.000 0.426 3296 L N 3.350 124.584 121.223 0.019 0.000 2.272 3296 L HA 0.247 4.587 4.340 -0.000 0.000 0.284 3296 L C 0.032 176.928 176.870 0.043 0.000 1.045 3296 L CA 0.001 54.868 54.840 0.044 0.000 0.842 3296 L CB 0.494 42.582 42.059 0.048 0.000 1.224 3296 L HN 0.398 nan 8.230 nan 0.000 0.430 3297 R N 2.919 123.446 120.500 0.047 0.000 2.507 3297 R HA 0.243 4.583 4.340 -0.000 0.000 0.341 3297 R C -0.117 176.207 176.300 0.040 0.000 0.960 3297 R CA 0.432 56.554 56.100 0.037 0.000 1.032 3297 R CB -0.023 30.299 30.300 0.036 0.000 0.933 3297 R HN 0.614 nan 8.270 nan 0.000 0.418 3298 T N 0.924 115.497 114.554 0.031 0.000 2.770 3298 T HA 0.455 4.805 4.350 -0.000 0.000 0.323 3298 T C -0.132 174.580 174.700 0.021 0.000 1.683 3298 T CA 0.269 62.387 62.100 0.030 0.000 1.024 3298 T CB 1.097 69.990 68.868 0.041 0.000 1.557 3298 T HN 0.827 nan 8.240 nan 0.000 0.494 3299 G N 3.143 111.954 108.800 0.018 0.000 2.606 3299 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.285 3299 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.285 3299 G C -1.486 173.419 174.900 0.009 0.000 1.311 3299 G CA 0.340 45.447 45.100 0.013 0.000 0.922 3299 G HN 0.795 nan 8.290 nan 0.000 0.559 3300 P HA 0.113 nan 4.420 nan 0.000 0.208 3300 P C 1.146 178.448 177.300 0.004 0.000 1.195 3300 P CA 1.670 64.772 63.100 0.004 0.000 0.927 3300 P CB -0.080 31.621 31.700 0.003 0.000 0.778 3301 S N -0.780 114.921 115.700 0.002 0.000 2.472 3301 S HA 0.396 4.866 4.470 -0.000 0.000 0.303 3301 S C -0.335 174.266 174.600 0.002 0.000 1.099 3301 S CA -0.989 57.211 58.200 0.000 0.000 1.077 3301 S CB -0.145 63.053 63.200 -0.004 0.000 1.031 3301 S HN 0.110 nan 8.310 nan 0.000 0.487 3302 N N 1.912 120.613 118.700 0.001 0.000 2.381 3302 N HA 0.217 4.957 4.740 -0.000 0.000 0.241 3302 N C 0.004 175.513 175.510 -0.002 0.000 1.279 3302 N CA -0.283 52.769 53.050 0.004 0.000 0.896 3302 N CB 0.076 38.566 38.487 0.005 0.000 1.118 3302 N HN 0.551 nan 8.380 nan 0.000 0.438 3303 T N -2.379 112.176 114.554 0.002 0.000 2.943 3303 T HA 0.396 4.746 4.350 -0.000 0.000 0.284 3303 T C -0.295 174.391 174.700 -0.023 0.000 1.015 3303 T CA -0.962 61.134 62.100 -0.008 0.000 1.042 3303 T CB 1.169 70.038 68.868 0.003 0.000 1.055 3303 T HN 0.447 nan 8.240 nan 0.000 0.500 3304 E N 0.755 120.934 120.200 -0.036 0.000 2.204 3304 E HA 0.545 4.894 4.350 -0.000 0.000 0.276 3304 E C -1.014 175.536 176.600 -0.083 0.000 0.974 3304 E CA -0.776 55.593 56.400 -0.052 0.000 0.815 3304 E CB 2.143 31.811 29.700 -0.054 0.000 1.119 3304 E HN 0.516 nan 8.360 nan 0.000 0.393 3305 V N 4.289 124.135 119.914 -0.112 0.000 2.445 3305 V HA 0.302 4.422 4.120 -0.000 0.000 0.283 3305 V C 0.013 176.002 176.094 -0.175 0.000 1.014 3305 V CA -0.527 61.634 62.300 -0.231 0.000 0.852 3305 V CB 0.938 32.528 31.823 -0.389 0.000 1.021 3305 V HN 0.554 nan 8.190 nan 0.000 0.435 3306 I N 4.218 124.699 120.570 -0.148 0.000 2.322 3306 I HA 0.282 4.452 4.170 -0.000 0.000 0.292 3306 I C 0.168 176.222 176.117 -0.106 0.000 1.060 3306 I CA -0.198 61.060 61.300 -0.070 0.000 1.309 3306 I CB 0.278 38.265 38.000 -0.021 0.000 1.415 3306 I HN 0.599 nan 8.210 nan 0.000 0.492 3307 H N 5.265 124.339 119.070 0.006 0.000 2.668 3307 H HA 0.242 4.798 4.556 -0.001 0.000 0.303 3307 H C -0.020 175.365 175.328 0.094 0.000 1.074 3307 H CA 0.036 56.143 56.048 0.098 0.000 1.406 3307 H CB 0.561 30.403 29.762 0.134 0.000 1.442 3307 H HN 0.400 nan 8.280 nan 0.000 0.482 3308 N N 4.084 122.952 118.700 0.280 0.000 2.707 3308 N HA 0.103 4.843 4.740 -0.000 0.000 0.249 3308 N C -1.881 173.870 175.510 0.403 0.000 1.299 3308 N CA -0.571 52.611 53.050 0.221 0.000 0.769 3308 N CB 0.158 38.713 38.487 0.113 0.000 1.236 3308 N HN 0.585 nan 8.380 nan 0.000 0.524 3309 Y N -0.961 119.489 120.300 0.250 0.000 2.670 3309 Y HA 0.699 5.249 4.550 -0.001 0.000 0.334 3309 Y C 0.256 176.244 175.900 0.147 0.000 1.185 3309 Y CA -0.943 57.324 58.100 0.279 0.000 1.053 3309 Y CB 0.721 39.319 38.460 0.230 0.000 1.298 3309 Y HN 0.297 nan 8.280 nan 0.000 0.459 3310 G N 1.864 110.851 108.800 0.311 0.000 2.828 3310 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.262 3310 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.262 3310 G C -1.033 173.781 174.900 -0.142 0.000 1.033 3310 G CA 0.231 45.376 45.100 0.076 0.000 1.248 3310 G HN 1.149 nan 8.290 nan 0.000 0.551 3311 H N -0.006 118.987 119.070 -0.129 0.000 3.233 3311 H HA 0.430 4.986 4.556 -0.000 0.000 0.263 3311 H C 2.101 177.034 175.328 -0.659 0.000 1.168 3311 H CA 0.891 56.699 56.048 -0.400 0.000 1.159 3311 H CB 0.641 30.243 29.762 -0.268 0.000 1.593 3311 H HN 1.449 nan 8.280 nan 0.000 0.580 3312 G N 0.938 109.637 108.800 -0.167 0.000 2.702 3312 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.342 3312 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.342 3312 G C 1.501 176.408 174.900 0.012 0.000 1.258 3312 G CA 0.683 45.784 45.100 0.001 0.000 0.990 3312 G HN 0.593 nan 8.290 nan 0.000 0.548 3313 G N -0.545 108.348 108.800 0.155 0.000 3.284 3313 G HA2 0.471 4.431 3.960 -0.000 0.000 0.236 3313 G HA3 0.471 4.431 3.960 -0.000 0.000 0.236 3313 G C 0.509 175.506 174.900 0.162 0.000 1.158 3313 G CA 1.109 46.410 45.100 0.333 0.000 0.774 3313 G HN 1.369 nan 8.290 nan 0.000 0.545 3314 Y N -2.343 117.928 120.300 -0.049 0.000 2.629 3314 Y HA 0.534 5.084 4.550 -0.001 0.000 0.282 3314 Y C 1.342 177.234 175.900 -0.015 0.000 0.994 3314 Y CA -1.392 56.622 58.100 -0.143 0.000 1.126 3314 Y CB -0.133 38.120 38.460 -0.345 0.000 1.187 3314 Y HN -0.068 nan 8.280 nan 0.000 0.600 3315 G N 1.772 110.549 108.800 -0.038 0.000 2.604 3315 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 3315 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 3315 G C 1.346 176.327 174.900 0.134 0.000 1.265 3315 G CA 1.334 46.440 45.100 0.009 0.000 0.804 3315 G HN 0.331 nan 8.290 nan 0.000 0.579 3316 L N 1.181 122.463 121.223 0.099 0.000 2.129 3316 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 3316 L C 3.072 180.106 176.870 0.274 0.000 1.087 3316 L CA 2.143 57.089 54.840 0.177 0.000 0.757 3316 L CB -1.899 40.180 42.059 0.035 0.000 0.896 3316 L HN 0.239 nan 8.230 nan 0.000 0.434 3317 T N -0.558 114.052 114.554 0.094 0.000 2.788 3317 T HA -0.152 4.197 4.350 -0.000 0.000 0.268 3317 T C 1.917 176.677 174.700 0.100 0.000 1.044 3317 T CA 1.324 63.353 62.100 -0.119 0.000 1.139 3317 T CB 0.043 68.587 68.868 -0.540 0.000 0.867 3317 T HN 0.262 nan 8.240 nan 0.000 0.454 3318 I N 0.064 120.767 120.570 0.222 0.000 4.181 3318 I HA 0.089 4.259 4.170 -0.000 0.000 0.331 3318 I C 2.089 178.355 176.117 0.248 0.000 1.312 3318 I CA 0.108 61.590 61.300 0.304 0.000 1.146 3318 I CB 0.091 38.337 38.000 0.410 0.000 1.074 3318 I HN 0.318 nan 8.210 nan 0.000 0.402 3319 H N 0.318 119.531 119.070 0.237 0.000 2.278 3319 H HA -0.362 4.193 4.556 -0.000 0.000 0.287 3319 H C 2.022 177.486 175.328 0.226 0.000 1.107 3319 H CA 2.768 58.935 56.048 0.198 0.000 1.192 3319 H CB -1.181 28.715 29.762 0.223 0.000 1.346 3319 H HN 0.537 nan 8.280 nan 0.000 0.478 3320 W N 2.637 123.383 121.300 -0.924 0.000 2.354 3320 W HA -0.153 4.506 4.660 -0.000 0.000 0.315 3320 W C 2.672 179.033 176.519 -0.264 0.000 1.206 3320 W CA 1.614 58.627 57.345 -0.554 0.000 1.290 3320 W CB -0.707 28.389 29.460 -0.606 0.000 1.152 3320 W HN 0.495 nan 8.180 nan 0.000 0.489 3321 G N 1.061 109.819 108.800 -0.070 0.000 2.766 3321 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.222 3321 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.222 3321 G C 1.439 175.933 174.900 -0.677 0.000 1.225 3321 G CA 2.298 47.310 45.100 -0.147 0.000 0.784 3321 G HN 0.406 nan 8.290 nan 0.000 0.631 3322 C N 1.094 119.953 119.300 -0.735 0.000 2.398 3322 C HA 0.085 4.545 4.460 -0.000 0.000 0.276 3322 C C 3.551 178.205 174.990 -0.559 0.000 1.222 3322 C CA 1.044 59.526 59.018 -0.893 0.000 1.746 3322 C CB -1.410 26.083 27.740 -0.411 0.000 2.039 3322 C HN 0.634 nan 8.230 nan 0.000 0.470 3323 A N 0.203 122.775 122.820 -0.413 0.000 1.978 3323 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 3323 A C 2.171 179.452 177.584 -0.505 0.000 1.170 3323 A CA 1.506 53.301 52.037 -0.404 0.000 0.636 3323 A CB -0.553 18.205 19.000 -0.403 0.000 0.810 3323 A HN 0.670 nan 8.150 nan 0.000 0.448 3324 L N -1.231 119.629 121.223 -0.605 0.000 2.023 3324 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 3324 L C 2.687 179.411 176.870 -0.242 0.000 1.073 3324 L CA 1.662 56.237 54.840 -0.442 0.000 0.745 3324 L CB -0.421 41.399 42.059 -0.398 0.000 0.900 3324 L HN 0.469 nan 8.230 nan 0.000 0.435 3325 E N 0.625 120.647 120.200 -0.298 0.000 2.118 3325 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 3325 E C 2.018 178.546 176.600 -0.119 0.000 0.992 3325 E CA 1.614 57.920 56.400 -0.157 0.000 0.804 3325 E CB -0.095 29.457 29.700 -0.246 0.000 0.741 3325 E HN 0.378 nan 8.360 nan 0.000 0.458 3326 A N 0.805 123.509 122.820 -0.194 0.000 1.902 3326 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 3326 A C 2.479 180.043 177.584 -0.034 0.000 1.181 3326 A CA 2.152 54.126 52.037 -0.106 0.000 0.623 3326 A CB -1.100 17.820 19.000 -0.133 0.000 0.818 3326 A HN 0.407 nan 8.150 nan 0.000 0.443 3327 A N -0.289 122.505 122.820 -0.044 0.000 1.933 3327 A HA -0.179 4.140 4.320 -0.000 0.000 0.218 3327 A C 2.111 179.796 177.584 0.169 0.000 1.175 3327 A CA 2.051 54.140 52.037 0.087 0.000 0.628 3327 A CB -0.492 18.584 19.000 0.127 0.000 0.814 3327 A HN 0.569 nan 8.150 nan 0.000 0.444 3328 K N -0.262 120.203 120.400 0.109 0.000 2.020 3328 K HA -0.152 4.168 4.320 -0.000 0.000 0.212 3328 K C 1.883 178.523 176.600 0.067 0.000 1.050 3328 K CA 1.842 58.198 56.287 0.115 0.000 0.929 3328 K CB -0.369 32.179 32.500 0.080 0.000 0.714 3328 K HN 0.491 nan 8.250 nan 0.000 0.443 3329 L N -0.062 121.187 121.223 0.042 0.000 2.083 3329 L HA -0.151 4.188 4.340 -0.000 0.000 0.209 3329 L C 2.399 179.256 176.870 -0.021 0.000 1.083 3329 L CA 0.888 55.737 54.840 0.014 0.000 0.752 3329 L CB -0.467 41.605 42.059 0.022 0.000 0.899 3329 L HN 0.229 nan 8.230 nan 0.000 0.433 3330 F N 1.178 121.031 119.950 -0.162 0.000 2.307 3330 F HA -0.138 4.389 4.527 -0.000 0.000 0.301 3330 F C 2.047 177.633 175.800 -0.356 0.000 1.076 3330 F CA 1.227 59.068 58.000 -0.265 0.000 1.383 3330 F CB -0.320 38.474 39.000 -0.343 0.000 1.055 3330 F HN -0.034 nan 8.300 nan 0.000 0.526 3331 G N 0.390 109.033 108.800 -0.261 0.000 2.394 3331 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.214 3331 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.214 3331 G C 1.740 176.526 174.900 -0.190 0.000 1.176 3331 G CA 0.329 45.293 45.100 -0.226 0.000 0.786 3331 G HN 0.148 nan 8.290 nan 0.000 0.533 3332 R N 0.812 121.236 120.500 -0.126 0.000 2.082 3332 R HA 0.003 4.343 4.340 -0.000 0.000 0.234 3332 R C 2.537 178.738 176.300 -0.166 0.000 1.136 3332 R CA 0.905 56.944 56.100 -0.103 0.000 0.935 3332 R CB -1.488 28.777 30.300 -0.059 0.000 0.842 3332 R HN 0.442 nan 8.270 nan 0.000 0.430 3333 I N 1.032 121.467 120.570 -0.224 0.000 2.229 3333 I HA -0.313 3.857 4.170 -0.000 0.000 0.250 3333 I C 2.421 178.356 176.117 -0.305 0.000 1.096 3333 I CA 1.241 62.385 61.300 -0.260 0.000 1.358 3333 I CB -0.309 37.488 38.000 -0.338 0.000 1.047 3333 I HN 0.110 nan 8.210 nan 0.000 0.422 3334 L N 0.868 121.839 121.223 -0.420 0.000 2.109 3334 L HA -0.173 4.166 4.340 -0.000 0.000 0.207 3334 L C 2.560 179.314 176.870 -0.194 0.000 1.086 3334 L CA 2.147 56.759 54.840 -0.381 0.000 0.760 3334 L CB -0.570 41.184 42.059 -0.509 0.000 0.910 3334 L HN 0.442 nan 8.230 nan 0.000 0.437 3335 E N -0.709 119.404 120.200 -0.145 0.000 2.158 3335 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 3335 E C 1.664 178.222 176.600 -0.070 0.000 0.982 3335 E CA 0.869 57.221 56.400 -0.079 0.000 0.823 3335 E CB -0.139 29.532 29.700 -0.048 0.000 0.766 3335 E HN 0.483 nan 8.360 nan 0.000 0.468 3336 E N 0.735 120.884 120.200 -0.084 0.000 2.072 3336 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 3336 E C 1.825 178.385 176.600 -0.066 0.000 0.982 3336 E CA 0.883 57.243 56.400 -0.067 0.000 0.803 3336 E CB -0.009 29.650 29.700 -0.067 0.000 0.755 3336 E HN 0.006 nan 8.360 nan 0.000 0.453 3337 K N 1.051 121.399 120.400 -0.088 0.000 2.519 3337 K HA -0.081 4.238 4.320 -0.000 0.000 0.196 3337 K C -0.309 176.255 176.600 -0.061 0.000 1.041 3337 K CA 0.421 56.661 56.287 -0.077 0.000 0.954 3337 K CB -0.116 32.322 32.500 -0.103 0.000 0.774 3337 K HN -0.134 nan 8.250 nan 0.000 0.480 3338 K N -0.454 119.910 120.400 -0.060 0.000 5.946 3338 K HA -0.145 4.175 4.320 -0.000 0.000 0.541 3338 K C -1.247 175.330 176.600 -0.038 0.000 1.298 3338 K CA 1.024 57.286 56.287 -0.043 0.000 1.487 3338 K CB -1.370 31.112 32.500 -0.031 0.000 1.783 3338 K HN 0.281 nan 8.250 nan 0.000 0.380 3339 L N -0.152 121.047 121.223 -0.040 0.000 2.512 3339 L HA 0.353 4.692 4.340 -0.000 0.000 0.291 3339 L C 0.212 177.073 176.870 -0.015 0.000 1.360 3339 L CA -0.785 54.039 54.840 -0.026 0.000 0.655 3339 L CB 0.674 42.715 42.059 -0.029 0.000 0.968 3339 L HN 0.180 nan 8.230 nan 0.000 0.517 3340 S N 0.000 115.695 115.700 -0.008 0.000 2.498 3340 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 3340 S CA 0.000 58.207 58.200 0.011 0.000 1.107 3340 S CB 0.000 63.205 63.200 0.009 0.000 0.593 3340 S HN 0.000 nan 8.310 nan 0.000 0.517