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 2axt_1_a DATA FIRST_RESID 5010 DATA SEQUENCE SANLWERFCN WVTSTDNRLY VGWFGVIMIP TLLAATICFV IAFIAAPPVD DATA SEQUENCE IDGIREPVSG SLLYGNNIIT GAVVPSSNAI GLHFYPIWEA ASLDEWLYNG DATA SEQUENCE GPYQLIIFHF LLGASCYMGR QWELSYRLGM RPWICVAYSA PLASAFAVFL DATA SEQUENCE IYPIGQGSFS DGMPLGISGT FNFMIVFQAE HNILMHPFHQ LGVAGVFGGA DATA SEQUENCE LFCAMHGSLV TSSLIRETTE TESANYGYKF GQEEETYNIV AAHGYFGRLI DATA SEQUENCE FQYASFNNSR SLHFFLAAWP VVGVWFTALG ISTMAFNLNG FNFNHSVIDA DATA SEQUENCE KGNVINTWAD IINRANLGME VMHERNAHNF PLDLA 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 5010 S HA 0.000 nan 4.470 nan 0.000 0.327 5010 S C 0.000 174.626 174.600 0.044 0.000 1.055 5010 S CA 0.000 58.222 58.200 0.037 0.000 1.107 5010 S CB 0.000 63.228 63.200 0.046 0.000 0.593 5011 A N 0.902 123.758 122.820 0.060 0.000 2.186 5011 A HA 0.549 4.428 4.320 -0.734 0.000 0.227 5011 A C -0.190 177.454 177.584 0.099 0.000 2.718 5011 A CA 0.926 53.004 52.037 0.069 0.000 1.903 5011 A CB -1.337 17.700 19.000 0.063 0.000 0.415 5011 A HN 1.959 nan 8.150 nan 0.000 0.826 5012 N N 0.532 119.293 118.700 0.102 0.000 2.470 5012 N HA -0.160 4.139 4.740 -0.734 0.000 0.292 5012 N C 1.031 176.650 175.510 0.182 0.000 1.531 5012 N CA 0.417 53.550 53.050 0.138 0.000 0.780 5012 N CB -0.184 38.395 38.487 0.153 0.000 0.975 5012 N HN 0.563 nan 8.380 nan 0.000 0.466 5013 L N 2.921 124.249 121.223 0.175 0.000 2.085 5013 L HA -0.293 3.606 4.340 -0.734 0.000 0.218 5013 L C 2.275 179.317 176.870 0.287 0.000 1.080 5013 L CA 2.174 57.134 54.840 0.201 0.000 0.776 5013 L CB -0.759 41.417 42.059 0.196 0.000 0.891 5013 L HN 0.723 nan 8.230 nan 0.000 0.437 5014 W N 2.177 123.570 121.300 0.155 0.000 2.318 5014 W HA -0.271 3.947 4.660 -0.736 0.000 0.313 5014 W C 2.344 178.994 176.519 0.218 0.000 1.221 5014 W CA 2.338 59.783 57.345 0.166 0.000 1.266 5014 W CB -0.262 29.238 29.460 0.067 0.000 1.150 5014 W HN 0.385 nan 8.180 nan 0.000 0.496 5015 E N 0.440 120.801 120.200 0.268 0.000 2.049 5015 E HA -0.320 3.589 4.350 -0.734 0.000 0.198 5015 E C 2.445 179.090 176.600 0.075 0.000 1.007 5015 E CA 1.851 58.347 56.400 0.161 0.000 0.809 5015 E CB -0.582 29.226 29.700 0.180 0.000 0.749 5015 E HN 0.062 nan 8.360 nan 0.000 0.450 5016 R N 0.399 120.964 120.500 0.109 0.000 2.070 5016 R HA -0.185 3.715 4.340 -0.734 0.000 0.233 5016 R C 2.288 178.657 176.300 0.115 0.000 1.137 5016 R CA 1.659 57.815 56.100 0.094 0.000 0.945 5016 R CB -1.260 29.091 30.300 0.085 0.000 0.845 5016 R HN 0.274 nan 8.270 nan 0.000 0.430 5017 F N 1.780 121.708 119.950 -0.036 0.000 2.063 5017 F HA -0.296 3.788 4.527 -0.737 0.000 0.298 5017 F C 2.477 178.236 175.800 -0.067 0.000 1.109 5017 F CA 1.998 59.984 58.000 -0.023 0.000 1.212 5017 F CB -0.805 38.137 39.000 -0.097 0.000 0.973 5017 F HN 0.142 nan 8.300 nan 0.000 0.480 5018 C N 0.418 119.782 119.300 0.106 0.000 2.409 5018 C HA -0.173 3.846 4.460 -0.734 0.000 0.288 5018 C C 2.322 177.350 174.990 0.065 0.000 1.395 5018 C CA 1.380 60.460 59.018 0.103 0.000 1.792 5018 C CB -2.023 25.719 27.740 0.003 0.000 1.847 5018 C HN 0.533 nan 8.230 nan 0.000 0.534 5019 N N -0.646 118.088 118.700 0.057 0.000 2.290 5019 N HA -0.049 4.251 4.740 -0.734 0.000 0.179 5019 N C 1.319 176.831 175.510 0.003 0.000 1.016 5019 N CA 0.834 53.901 53.050 0.028 0.000 0.871 5019 N CB -0.271 38.241 38.487 0.042 0.000 0.987 5019 N HN 0.768 nan 8.380 nan 0.000 0.431 5020 W N 1.236 122.434 121.300 -0.169 0.000 2.413 5020 W HA -0.028 4.193 4.660 -0.732 0.000 0.315 5020 W C 1.720 178.095 176.519 -0.239 0.000 1.186 5020 W CA 0.735 57.950 57.345 -0.216 0.000 1.326 5020 W CB -0.744 28.529 29.460 -0.312 0.000 1.153 5020 W HN -0.228 nan 8.180 nan 0.000 0.489 5021 V N 1.085 120.667 119.914 -0.554 0.000 2.363 5021 V HA -0.383 3.297 4.120 -0.734 0.000 0.254 5021 V C 1.888 177.570 176.094 -0.687 0.000 1.074 5021 V CA 2.663 64.409 62.300 -0.922 0.000 1.069 5021 V CB -1.315 29.990 31.823 -0.864 0.000 0.659 5021 V HN 0.358 nan 8.190 nan 0.000 0.455 5022 T N -1.246 113.060 114.554 -0.414 0.000 3.122 5022 T HA 0.079 3.988 4.350 -0.734 0.000 0.250 5022 T C 0.808 175.384 174.700 -0.207 0.000 1.067 5022 T CA 0.573 62.550 62.100 -0.205 0.000 0.966 5022 T CB -0.009 68.789 68.868 -0.118 0.000 1.002 5022 T HN 0.418 nan 8.240 nan 0.000 0.542 5023 S N 1.881 117.428 115.700 -0.255 0.000 2.593 5023 S HA -0.050 3.979 4.470 -0.734 0.000 0.300 5023 S C 1.309 175.733 174.600 -0.294 0.000 1.267 5023 S CA 0.086 58.156 58.200 -0.217 0.000 1.065 5023 S CB 0.296 63.382 63.200 -0.190 0.000 0.807 5023 S HN 0.417 nan 8.310 nan 0.000 0.499 5024 T N 2.906 117.293 114.554 -0.278 0.000 3.100 5024 T HA 0.096 4.005 4.350 -0.734 0.000 0.253 5024 T C -0.032 174.518 174.700 -0.249 0.000 1.118 5024 T CA 0.514 62.401 62.100 -0.355 0.000 1.058 5024 T CB -0.375 68.320 68.868 -0.289 0.000 0.953 5024 T HN 0.852 nan 8.240 nan 0.000 0.515 5025 D N 0.486 120.785 120.400 -0.168 0.000 2.739 5025 D HA 0.248 4.448 4.640 -0.734 0.000 0.335 5025 D C -0.800 175.460 176.300 -0.067 0.000 1.216 5025 D CA -0.666 53.270 54.000 -0.106 0.000 0.808 5025 D CB -0.118 40.636 40.800 -0.076 0.000 1.121 5025 D HN -0.162 nan 8.370 nan 0.000 0.499 5026 N N 1.009 119.665 118.700 -0.073 0.000 2.407 5026 N HA 0.219 4.519 4.740 -0.734 0.000 0.277 5026 N C 0.981 176.481 175.510 -0.016 0.000 0.995 5026 N CA -0.641 52.389 53.050 -0.034 0.000 0.903 5026 N CB 2.054 40.489 38.487 -0.086 0.000 1.218 5026 N HN 0.038 nan 8.380 nan 0.000 0.487 5027 R N 2.490 122.992 120.500 0.003 0.000 2.224 5027 R HA -0.101 3.798 4.340 -0.734 0.000 0.251 5027 R C -0.125 176.177 176.300 0.003 0.000 1.123 5027 R CA 1.824 57.927 56.100 0.005 0.000 0.944 5027 R CB -0.505 29.804 30.300 0.015 0.000 0.910 5027 R HN 0.628 nan 8.270 nan 0.000 0.440 5028 L N -0.220 121.006 121.223 0.005 0.000 2.333 5028 L HA 0.259 4.159 4.340 -0.734 0.000 0.280 5028 L C -0.573 176.298 176.870 0.001 0.000 1.004 5028 L CA -1.045 53.796 54.840 0.002 0.000 0.820 5028 L CB 1.693 43.750 42.059 -0.004 0.000 1.247 5028 L HN 0.173 nan 8.230 nan 0.000 0.416 5029 Y N 4.621 124.833 120.300 -0.147 0.000 2.644 5029 Y HA 0.184 4.296 4.550 -0.730 0.000 0.354 5029 Y C 0.269 176.027 175.900 -0.236 0.000 1.166 5029 Y CA -0.624 57.352 58.100 -0.207 0.000 1.591 5029 Y CB 0.792 39.136 38.460 -0.193 0.000 1.346 5029 Y HN 0.418 nan 8.280 nan 0.000 0.497 5030 V N 7.033 126.674 119.914 -0.456 0.000 2.572 5030 V HA 0.591 4.271 4.120 -0.734 0.000 0.291 5030 V C 0.342 175.839 176.094 -0.994 0.000 1.039 5030 V CA 0.818 62.751 62.300 -0.612 0.000 1.055 5030 V CB 0.465 31.943 31.823 -0.574 0.000 0.969 5030 V HN 0.850 nan 8.190 nan 0.000 0.482 5031 G N 4.709 112.952 108.800 -0.928 0.000 3.212 5031 G HA2 0.312 3.832 3.960 -0.734 0.000 0.188 5031 G HA3 0.312 3.832 3.960 -0.734 0.000 0.188 5031 G C -0.236 174.328 174.900 -0.560 0.000 1.254 5031 G CA -0.294 44.263 45.100 -0.905 0.000 0.957 5031 G HN 0.778 nan 8.290 nan 0.000 0.596 5032 W N -1.094 120.140 121.300 -0.111 0.000 2.494 5032 W HA 0.229 4.446 4.660 -0.739 0.000 0.286 5032 W C 2.301 178.813 176.519 -0.012 0.000 1.218 5032 W CA -0.020 57.283 57.345 -0.071 0.000 1.313 5032 W CB -0.007 29.381 29.460 -0.120 0.000 1.105 5032 W HN 0.405 nan 8.180 nan 0.000 0.561 5033 F N -0.063 120.001 119.950 0.191 0.000 2.113 5033 F HA -0.095 4.008 4.527 -0.706 0.000 0.297 5033 F C 2.535 178.358 175.800 0.038 0.000 1.103 5033 F CA 0.993 59.070 58.000 0.129 0.000 1.248 5033 F CB -0.863 38.210 39.000 0.122 0.000 0.999 5033 F HN -0.120 nan 8.300 nan 0.000 0.475 5034 G N -0.520 108.342 108.800 0.103 0.000 2.479 5034 G HA2 -0.218 3.302 3.960 -0.734 0.000 0.220 5034 G HA3 -0.218 3.302 3.960 -0.734 0.000 0.220 5034 G C 1.570 176.484 174.900 0.024 0.000 1.115 5034 G CA 0.776 45.861 45.100 -0.025 0.000 0.757 5034 G HN 0.256 nan 8.290 nan 0.000 0.560 5035 V N 0.354 120.311 119.914 0.071 0.000 3.026 5035 V HA -0.034 3.645 4.120 -0.734 0.000 0.265 5035 V C 2.355 178.555 176.094 0.176 0.000 1.121 5035 V CA 1.219 63.602 62.300 0.139 0.000 1.142 5035 V CB -0.179 31.789 31.823 0.241 0.000 0.730 5035 V HN 0.464 nan 8.190 nan 0.000 0.503 5036 I N -1.952 118.727 120.570 0.182 0.000 3.136 5036 I HA -0.043 3.687 4.170 -0.734 0.000 0.262 5036 I C 2.195 178.402 176.117 0.150 0.000 1.132 5036 I CA 0.594 61.999 61.300 0.177 0.000 1.450 5036 I CB -0.258 37.862 38.000 0.200 0.000 1.315 5036 I HN 0.195 nan 8.210 nan 0.000 0.460 5037 M N 1.500 121.185 119.600 0.141 0.000 2.108 5037 M HA -0.261 3.778 4.480 -0.734 0.000 0.257 5037 M C 2.268 178.635 176.300 0.113 0.000 1.071 5037 M CA 2.177 57.548 55.300 0.119 0.000 1.093 5037 M CB -0.109 32.561 32.600 0.115 0.000 1.345 5037 M HN 0.179 nan 8.290 nan 0.000 0.403 5038 I N -0.060 120.570 120.570 0.100 0.000 2.179 5038 I HA -0.205 3.524 4.170 -0.734 0.000 0.242 5038 I C -0.771 175.412 176.117 0.110 0.000 1.088 5038 I CA 1.302 62.657 61.300 0.092 0.000 1.357 5038 I CB -1.499 36.546 38.000 0.074 0.000 1.051 5038 I HN 0.290 nan 8.210 nan 0.000 0.409 5039 P HA 0.010 nan 4.420 nan 0.000 0.222 5039 P C 1.577 178.980 177.300 0.172 0.000 1.157 5039 P CA 1.047 64.231 63.100 0.140 0.000 0.816 5039 P CB 0.057 31.848 31.700 0.152 0.000 0.813 5040 T N 0.347 115.027 114.554 0.209 0.000 2.674 5040 T HA -0.096 3.813 4.350 -0.734 0.000 0.265 5040 T C 1.729 176.572 174.700 0.238 0.000 1.039 5040 T CA 1.158 63.451 62.100 0.321 0.000 1.150 5040 T CB -1.032 67.969 68.868 0.222 0.000 0.864 5040 T HN 0.033 nan 8.240 nan 0.000 0.427 5041 L N 0.546 121.860 121.223 0.153 0.000 2.191 5041 L HA -0.010 3.889 4.340 -0.734 0.000 0.212 5041 L C 2.355 179.282 176.870 0.094 0.000 1.103 5041 L CA 0.876 55.787 54.840 0.119 0.000 0.769 5041 L CB -0.478 41.638 42.059 0.094 0.000 0.908 5041 L HN 0.288 nan 8.230 nan 0.000 0.438 5042 L N -1.012 120.263 121.223 0.086 0.000 2.240 5042 L HA -0.081 3.819 4.340 -0.734 0.000 0.211 5042 L C 2.730 179.618 176.870 0.031 0.000 1.106 5042 L CA 0.736 55.613 54.840 0.062 0.000 0.793 5042 L CB -0.561 41.537 42.059 0.065 0.000 0.927 5042 L HN 0.227 nan 8.230 nan 0.000 0.446 5043 A N 0.270 123.090 122.820 -0.001 0.000 1.855 5043 A HA -0.026 3.853 4.320 -0.734 0.000 0.213 5043 A C 2.530 180.038 177.584 -0.126 0.000 1.195 5043 A CA 1.351 53.315 52.037 -0.122 0.000 0.610 5043 A CB -0.559 18.236 19.000 -0.342 0.000 0.837 5043 A HN 0.327 nan 8.150 nan 0.000 0.444 5044 A N -1.064 121.707 122.820 -0.082 0.000 1.834 5044 A HA -0.182 3.697 4.320 -0.734 0.000 0.216 5044 A C 2.397 180.014 177.584 0.054 0.000 1.203 5044 A CA 2.751 54.788 52.037 -0.000 0.000 0.621 5044 A CB -1.645 17.417 19.000 0.104 0.000 0.841 5044 A HN 0.501 nan 8.150 nan 0.000 0.446 5045 T N -0.527 114.068 114.554 0.069 0.000 2.721 5045 T HA -0.181 3.729 4.350 -0.734 0.000 0.268 5045 T C 1.706 176.482 174.700 0.127 0.000 1.038 5045 T CA 1.939 64.098 62.100 0.099 0.000 1.145 5045 T CB -0.552 68.359 68.868 0.072 0.000 0.858 5045 T HN 0.362 nan 8.240 nan 0.000 0.459 5046 I N 0.024 120.638 120.570 0.074 0.000 2.353 5046 I HA -0.066 3.663 4.170 -0.734 0.000 0.248 5046 I C 2.890 179.042 176.117 0.058 0.000 1.119 5046 I CA 0.805 62.140 61.300 0.058 0.000 1.417 5046 I CB -0.473 37.546 38.000 0.032 0.000 1.078 5046 I HN 0.433 nan 8.210 nan 0.000 0.421 5047 C N 0.795 120.128 119.300 0.056 0.000 2.440 5047 C HA -0.201 3.819 4.460 -0.734 0.000 0.278 5047 C C 2.824 177.867 174.990 0.089 0.000 1.295 5047 C CA 0.367 59.423 59.018 0.063 0.000 1.738 5047 C CB -1.032 26.739 27.740 0.052 0.000 1.987 5047 C HN 0.562 nan 8.230 nan 0.000 0.492 5048 F N 1.587 121.521 119.950 -0.026 0.000 2.075 5048 F HA -0.076 4.029 4.527 -0.703 0.000 0.297 5048 F C 2.101 177.912 175.800 0.019 0.000 1.113 5048 F CA 2.325 60.311 58.000 -0.024 0.000 1.218 5048 F CB -0.770 38.187 39.000 -0.072 0.000 0.984 5048 F HN 0.093 nan 8.300 nan 0.000 0.472 5049 V N 1.031 120.893 119.914 -0.087 0.000 2.469 5049 V HA -0.315 3.365 4.120 -0.734 0.000 0.251 5049 V C 2.400 178.413 176.094 -0.135 0.000 1.064 5049 V CA 2.132 64.317 62.300 -0.192 0.000 1.066 5049 V CB -0.654 31.162 31.823 -0.012 0.000 0.667 5049 V HN 0.434 nan 8.190 nan 0.000 0.461 5050 I N -0.052 120.480 120.570 -0.064 0.000 2.400 5050 I HA -0.086 3.644 4.170 -0.734 0.000 0.248 5050 I C 2.672 178.766 176.117 -0.038 0.000 1.109 5050 I CA 1.078 62.363 61.300 -0.025 0.000 1.425 5050 I CB -0.616 37.390 38.000 0.009 0.000 1.094 5050 I HN 0.250 nan 8.210 nan 0.000 0.425 5051 A N 0.988 123.772 122.820 -0.060 0.000 1.892 5051 A HA -0.289 3.591 4.320 -0.734 0.000 0.218 5051 A C 2.264 179.780 177.584 -0.114 0.000 1.188 5051 A CA 1.722 53.713 52.037 -0.078 0.000 0.631 5051 A CB -1.135 17.824 19.000 -0.069 0.000 0.822 5051 A HN 0.436 nan 8.150 nan 0.000 0.447 5052 F N 0.387 120.112 119.950 -0.375 0.000 2.171 5052 F HA -0.115 3.972 4.527 -0.733 0.000 0.300 5052 F C 2.012 177.688 175.800 -0.206 0.000 1.090 5052 F CA 1.654 59.430 58.000 -0.374 0.000 1.293 5052 F CB -0.036 38.554 39.000 -0.684 0.000 1.013 5052 F HN 0.184 nan 8.300 nan 0.000 0.486 5053 I N -0.393 120.208 120.570 0.052 0.000 2.206 5053 I HA -0.029 3.700 4.170 -0.734 0.000 0.239 5053 I C 0.982 177.109 176.117 0.017 0.000 1.078 5053 I CA 0.720 62.047 61.300 0.045 0.000 1.367 5053 I CB -0.764 37.262 38.000 0.043 0.000 1.078 5053 I HN 0.058 nan 8.210 nan 0.000 0.413 5054 A N 0.678 123.513 122.820 0.025 0.000 2.386 5054 A HA 0.854 4.733 4.320 -0.734 0.000 0.311 5054 A C -0.858 176.739 177.584 0.022 0.000 1.068 5054 A CA -0.102 51.987 52.037 0.088 0.000 0.743 5054 A CB 1.531 20.592 19.000 0.101 0.000 1.258 5054 A HN 0.371 nan 8.150 nan 0.000 0.429 5055 A N 2.843 125.643 122.820 -0.035 0.000 2.068 5055 A HA 0.572 4.452 4.320 -0.734 0.000 0.274 5055 A C -3.342 173.865 177.584 -0.628 0.000 0.977 5055 A CA -0.808 51.093 52.037 -0.227 0.000 0.824 5055 A CB -0.273 18.617 19.000 -0.183 0.000 0.867 5055 A HN 0.550 nan 8.150 nan 0.000 0.338 5056 P HA 0.315 nan 4.420 nan 0.000 0.270 5056 P C -2.515 174.432 177.300 -0.588 0.000 1.221 5056 P CA -0.452 62.140 63.100 -0.847 0.000 0.788 5056 P CB -0.156 31.337 31.700 -0.346 0.000 0.904 5057 P HA 0.062 nan 4.420 nan 0.000 0.271 5057 P C -0.911 176.154 177.300 -0.393 0.000 1.216 5057 P CA 0.343 63.236 63.100 -0.345 0.000 0.776 5057 P CB 0.380 31.938 31.700 -0.236 0.000 0.881 5058 V N 2.863 122.553 119.914 -0.374 0.000 2.384 5058 V HA 0.123 3.803 4.120 -0.734 0.000 0.287 5058 V C 0.434 176.268 176.094 -0.433 0.000 1.020 5058 V CA -0.370 61.676 62.300 -0.423 0.000 0.850 5058 V CB 1.315 32.939 31.823 -0.332 0.000 0.987 5058 V HN 0.481 nan 8.190 nan 0.000 0.436 5059 D N 3.881 123.927 120.400 -0.590 0.000 2.606 5059 D HA -0.011 4.189 4.640 -0.734 0.000 0.234 5059 D C 1.146 177.289 176.300 -0.262 0.000 1.140 5059 D CA 0.369 54.116 54.000 -0.422 0.000 1.182 5059 D CB -0.019 40.530 40.800 -0.418 0.000 1.130 5059 D HN 0.587 nan 8.370 nan 0.000 0.485 5060 I N 1.204 121.635 120.570 -0.233 0.000 2.039 5060 I HA -0.233 3.497 4.170 -0.734 0.000 0.233 5060 I C 0.706 176.735 176.117 -0.147 0.000 1.040 5060 I CA 1.182 62.368 61.300 -0.190 0.000 1.308 5060 I CB 0.051 37.951 38.000 -0.168 0.000 1.035 5060 I HN 0.240 nan 8.210 nan 0.000 0.392 5061 D N 0.271 120.595 120.400 -0.125 0.000 2.312 5061 D HA -0.002 4.197 4.640 -0.734 0.000 0.244 5061 D C 1.040 177.273 176.300 -0.113 0.000 1.328 5061 D CA 0.780 54.714 54.000 -0.111 0.000 0.965 5061 D CB 0.178 40.909 40.800 -0.115 0.000 1.140 5061 D HN 0.465 nan 8.370 nan 0.000 0.523 5062 G N -0.360 108.375 108.800 -0.109 0.000 2.421 5062 G HA2 -0.050 3.470 3.960 -0.734 0.000 0.217 5062 G HA3 -0.050 3.470 3.960 -0.734 0.000 0.217 5062 G C 1.336 176.189 174.900 -0.078 0.000 1.143 5062 G CA 0.581 45.625 45.100 -0.093 0.000 0.784 5062 G HN 0.583 nan 8.290 nan 0.000 0.541 5063 I N -2.106 118.412 120.570 -0.087 0.000 2.119 5063 I HA 0.103 3.832 4.170 -0.734 0.000 0.161 5063 I C 0.583 176.678 176.117 -0.036 0.000 1.445 5063 I CA 0.354 61.614 61.300 -0.067 0.000 0.546 5063 I CB 0.104 38.055 38.000 -0.082 0.000 1.923 5063 I HN -0.112 nan 8.210 nan 0.000 1.167 5064 R N 1.001 121.487 120.500 -0.023 0.000 2.718 5064 R HA 0.308 4.207 4.340 -0.734 0.000 0.307 5064 R C -0.988 175.307 176.300 -0.007 0.000 1.244 5064 R CA -0.063 56.052 56.100 0.026 0.000 1.348 5064 R CB -0.018 30.320 30.300 0.065 0.000 1.304 5064 R HN 0.676 nan 8.270 nan 0.000 0.663 5065 E N 1.912 122.076 120.200 -0.060 0.000 2.969 5065 E HA 0.286 4.195 4.350 -0.734 0.000 0.213 5065 E C -2.324 174.205 176.600 -0.118 0.000 1.107 5065 E CA -1.872 54.486 56.400 -0.070 0.000 1.007 5065 E CB 0.783 30.444 29.700 -0.066 0.000 1.326 5065 E HN -0.028 nan 8.360 nan 0.000 0.432 5066 P HA -0.090 nan 4.420 nan 0.000 0.261 5066 P C -0.980 176.208 177.300 -0.186 0.000 1.173 5066 P CA 0.132 63.076 63.100 -0.260 0.000 0.760 5066 P CB 0.751 32.266 31.700 -0.309 0.000 0.783 5067 V N 3.175 122.967 119.914 -0.204 0.000 2.483 5067 V HA 0.394 4.073 4.120 -0.734 0.000 0.295 5067 V C 0.356 176.343 176.094 -0.178 0.000 1.035 5067 V CA -0.435 61.772 62.300 -0.155 0.000 0.896 5067 V CB 1.698 33.437 31.823 -0.139 0.000 0.986 5067 V HN 0.635 nan 8.190 nan 0.000 0.447 5068 S N 2.710 118.328 115.700 -0.137 0.000 2.462 5068 S HA 0.668 4.697 4.470 -0.734 0.000 0.294 5068 S C 0.639 175.151 174.600 -0.146 0.000 1.144 5068 S CA 0.115 58.223 58.200 -0.153 0.000 1.088 5068 S CB 1.700 64.864 63.200 -0.061 0.000 1.009 5068 S HN 0.994 nan 8.310 nan 0.000 0.484 5069 G N 1.624 110.304 108.800 -0.201 0.000 2.727 5069 G HA2 0.204 3.724 3.960 -0.734 0.000 0.207 5069 G HA3 0.204 3.724 3.960 -0.734 0.000 0.207 5069 G C 0.569 175.263 174.900 -0.343 0.000 1.060 5069 G CA 0.261 45.219 45.100 -0.237 0.000 0.814 5069 G HN 1.001 nan 8.290 nan 0.000 0.576 5070 S N 0.199 115.722 115.700 -0.294 0.000 2.596 5070 S HA 0.314 4.344 4.470 -0.734 0.000 0.260 5070 S C 1.491 175.971 174.600 -0.200 0.000 1.336 5070 S CA -0.461 57.557 58.200 -0.304 0.000 0.993 5070 S CB 0.966 64.082 63.200 -0.140 0.000 0.923 5070 S HN 0.078 nan 8.310 nan 0.000 0.567 5071 L N 0.415 121.527 121.223 -0.184 0.000 2.023 5071 L HA 0.007 3.907 4.340 -0.734 0.000 0.205 5071 L C 2.266 179.122 176.870 -0.024 0.000 1.073 5071 L CA 1.022 55.808 54.840 -0.090 0.000 0.745 5071 L CB -0.730 41.311 42.059 -0.029 0.000 0.900 5071 L HN 0.661 nan 8.230 nan 0.000 0.435 5072 L N -1.035 120.195 121.223 0.011 0.000 2.642 5072 L HA -0.180 3.720 4.340 -0.734 0.000 0.236 5072 L C 0.817 177.575 176.870 -0.186 0.000 1.169 5072 L CA 0.839 55.647 54.840 -0.055 0.000 0.851 5072 L CB -0.441 41.592 42.059 -0.044 0.000 0.968 5072 L HN 0.297 nan 8.230 nan 0.000 0.453 5073 Y N -0.806 119.444 120.300 -0.083 0.000 2.720 5073 Y HA 0.336 4.446 4.550 -0.733 0.000 0.268 5073 Y C 1.351 177.205 175.900 -0.077 0.000 1.142 5073 Y CA 0.129 58.183 58.100 -0.077 0.000 1.193 5073 Y CB 0.974 39.381 38.460 -0.090 0.000 1.176 5073 Y HN 0.135 nan 8.280 nan 0.000 0.542 5074 G N 0.218 109.012 108.800 -0.009 0.000 2.148 5074 G HA2 -0.249 3.271 3.960 -0.734 0.000 0.203 5074 G HA3 -0.249 3.271 3.960 -0.734 0.000 0.203 5074 G C -0.281 174.604 174.900 -0.025 0.000 0.993 5074 G CA -0.360 44.728 45.100 -0.018 0.000 0.661 5074 G HN 0.398 nan 8.290 nan 0.000 0.518 5075 N N 0.068 118.742 118.700 -0.044 0.000 2.525 5075 N HA 0.684 4.984 4.740 -0.734 0.000 0.288 5075 N C -0.006 175.480 175.510 -0.040 0.000 1.242 5075 N CA -0.273 52.740 53.050 -0.062 0.000 0.905 5075 N CB 0.873 39.277 38.487 -0.139 0.000 1.258 5075 N HN 0.635 nan 8.380 nan 0.000 0.551 5076 N N -1.183 117.506 118.700 -0.018 0.000 2.509 5076 N HA 0.420 4.720 4.740 -0.734 0.000 0.280 5076 N C 0.166 175.718 175.510 0.070 0.000 1.306 5076 N CA -0.716 52.350 53.050 0.027 0.000 0.782 5076 N CB 1.779 40.285 38.487 0.033 0.000 1.493 5076 N HN 0.292 nan 8.380 nan 0.000 0.498 5077 I N -0.058 120.592 120.570 0.133 0.000 2.236 5077 I HA -0.291 3.439 4.170 -0.734 0.000 0.249 5077 I C 1.551 177.784 176.117 0.194 0.000 1.102 5077 I CA 1.465 62.902 61.300 0.227 0.000 1.365 5077 I CB -0.371 37.722 38.000 0.155 0.000 1.051 5077 I HN 0.539 nan 8.210 nan 0.000 0.420 5078 I N 0.466 121.105 120.570 0.116 0.000 2.439 5078 I HA -0.190 3.539 4.170 -0.734 0.000 0.251 5078 I C 2.663 178.822 176.117 0.069 0.000 1.139 5078 I CA 1.846 63.205 61.300 0.098 0.000 1.438 5078 I CB -0.648 37.415 38.000 0.105 0.000 1.085 5078 I HN 0.379 nan 8.210 nan 0.000 0.427 5079 T N -2.281 112.300 114.554 0.045 0.000 3.039 5079 T HA 0.221 4.130 4.350 -0.734 0.000 0.250 5079 T C 1.323 175.994 174.700 -0.049 0.000 1.052 5079 T CA 0.285 62.390 62.100 0.008 0.000 1.125 5079 T CB -0.869 68.000 68.868 0.001 0.000 0.908 5079 T HN 0.227 nan 8.240 nan 0.000 0.473 5080 G N 1.071 109.810 108.800 -0.101 0.000 2.614 5080 G HA2 0.513 4.032 3.960 -0.734 0.000 0.239 5080 G HA3 0.513 4.032 3.960 -0.734 0.000 0.239 5080 G C -0.229 174.498 174.900 -0.288 0.000 1.240 5080 G CA -0.048 44.846 45.100 -0.343 0.000 0.842 5080 G HN 1.067 nan 8.290 nan 0.000 0.584 5081 A N -0.434 122.135 122.820 -0.418 0.000 2.515 5081 A HA 0.565 4.445 4.320 -0.734 0.000 0.292 5081 A C -1.252 176.264 177.584 -0.112 0.000 1.065 5081 A CA -0.496 51.491 52.037 -0.082 0.000 0.641 5081 A CB 0.789 19.791 19.000 0.002 0.000 1.306 5081 A HN 1.296 nan 8.150 nan 0.000 0.441 5082 V N 1.206 121.169 119.914 0.081 0.000 2.370 5082 V HA 0.443 4.123 4.120 -0.734 0.000 0.279 5082 V C 0.074 176.166 176.094 -0.004 0.000 1.029 5082 V CA -0.475 61.846 62.300 0.036 0.000 0.870 5082 V CB 1.198 33.124 31.823 0.171 0.000 0.984 5082 V HN 0.683 nan 8.190 nan 0.000 0.451 5083 V N 7.987 127.832 119.914 -0.116 0.000 2.649 5083 V HA 0.253 3.932 4.120 -0.734 0.000 0.292 5083 V C -2.061 173.838 176.094 -0.324 0.000 1.055 5083 V CA -1.764 60.418 62.300 -0.196 0.000 1.023 5083 V CB 1.341 33.035 31.823 -0.216 0.000 0.992 5083 V HN 0.737 nan 8.190 nan 0.000 0.480 5084 P HA 0.057 nan 4.420 nan 0.000 0.266 5084 P C 0.008 177.008 177.300 -0.499 0.000 1.195 5084 P CA 0.098 62.579 63.100 -1.031 0.000 0.768 5084 P CB 0.307 31.524 31.700 -0.805 0.000 0.838 5085 S N 1.699 117.184 115.700 -0.359 0.000 2.560 5085 S HA 0.022 4.051 4.470 -0.734 0.000 0.276 5085 S C 0.643 175.142 174.600 -0.168 0.000 1.350 5085 S CA -0.436 57.651 58.200 -0.188 0.000 1.024 5085 S CB 0.009 63.172 63.200 -0.062 0.000 0.864 5085 S HN 0.455 nan 8.310 nan 0.000 0.536 5086 S N 0.364 115.956 115.700 -0.179 0.000 2.572 5086 S HA 0.018 4.047 4.470 -0.734 0.000 0.267 5086 S C 1.149 175.686 174.600 -0.105 0.000 1.361 5086 S CA 0.012 58.118 58.200 -0.157 0.000 1.009 5086 S CB -0.108 62.990 63.200 -0.171 0.000 0.888 5086 S HN 0.871 nan 8.310 nan 0.000 0.553 5087 N N 1.573 120.215 118.700 -0.096 0.000 2.416 5087 N HA 0.134 4.434 4.740 -0.734 0.000 0.177 5087 N C 1.523 176.990 175.510 -0.073 0.000 1.036 5087 N CA 0.982 53.990 53.050 -0.070 0.000 0.901 5087 N CB -0.279 38.163 38.487 -0.075 0.000 0.976 5087 N HN 0.598 nan 8.380 nan 0.000 0.444 5088 A N -0.050 122.712 122.820 -0.097 0.000 2.066 5088 A HA 0.045 3.924 4.320 -0.734 0.000 0.218 5088 A C 1.970 179.465 177.584 -0.148 0.000 1.157 5088 A CA 0.680 52.652 52.037 -0.109 0.000 0.670 5088 A CB -0.435 18.500 19.000 -0.108 0.000 0.804 5088 A HN 0.371 nan 8.150 nan 0.000 0.453 5089 I N -1.737 118.746 120.570 -0.146 0.000 2.480 5089 I HA 0.105 3.835 4.170 -0.734 0.000 0.251 5089 I C 2.062 178.195 176.117 0.026 0.000 1.124 5089 I CA 0.791 62.008 61.300 -0.138 0.000 1.444 5089 I CB -0.445 37.450 38.000 -0.174 0.000 1.098 5089 I HN 0.493 nan 8.210 nan 0.000 0.428 5090 G N 1.433 110.260 108.800 0.045 0.000 2.601 5090 G HA2 -0.345 3.174 3.960 -0.734 0.000 0.306 5090 G HA3 -0.345 3.174 3.960 -0.734 0.000 0.306 5090 G C 0.650 175.613 174.900 0.105 0.000 1.172 5090 G CA 0.477 45.624 45.100 0.079 0.000 0.966 5090 G HN 0.267 nan 8.290 nan 0.000 0.542 5091 L N 1.400 122.707 121.223 0.141 0.000 2.664 5091 L HA 0.268 4.168 4.340 -0.734 0.000 0.233 5091 L C 1.172 178.265 176.870 0.372 0.000 1.113 5091 L CA -0.321 54.557 54.840 0.064 0.000 0.896 5091 L CB -0.106 41.918 42.059 -0.057 0.000 1.163 5091 L HN 0.473 nan 8.230 nan 0.000 0.497 5092 H N 0.128 119.350 119.070 0.253 0.000 3.016 5092 H HA -0.102 4.013 4.556 -0.735 0.000 0.345 5092 H C -0.544 175.060 175.328 0.460 0.000 1.066 5092 H CA 0.378 56.608 56.048 0.302 0.000 1.390 5092 H CB 0.715 30.598 29.762 0.201 0.000 1.344 5092 H HN -0.018 nan 8.280 nan 0.000 0.605 5093 F N 4.354 124.535 119.950 0.385 0.000 2.434 5093 F HA 0.069 4.151 4.527 -0.741 0.000 0.358 5093 F C -0.476 175.541 175.800 0.363 0.000 1.136 5093 F CA -0.393 57.830 58.000 0.373 0.000 1.157 5093 F CB -0.090 39.066 39.000 0.259 0.000 1.167 5093 F HN 0.458 nan 8.300 nan 0.000 0.539 5094 Y N 9.514 129.694 120.300 -0.200 0.000 2.958 5094 Y HA 0.383 4.491 4.550 -0.737 0.000 0.336 5094 Y C -2.290 173.373 175.900 -0.396 0.000 1.160 5094 Y CA -2.681 55.285 58.100 -0.223 0.000 1.292 5094 Y CB 0.045 38.470 38.460 -0.059 0.000 1.306 5094 Y HN 0.426 nan 8.280 nan 0.000 0.547 5095 P HA 0.161 nan 4.420 nan 0.000 0.279 5095 P C 1.004 177.709 177.300 -0.991 0.000 1.276 5095 P CA -0.213 62.240 63.100 -1.078 0.000 0.801 5095 P CB 1.997 32.611 31.700 -1.809 0.000 1.127 5096 I N -0.994 118.952 120.570 -1.039 0.000 2.264 5096 I HA -0.219 3.511 4.170 -0.734 0.000 0.248 5096 I C 2.233 177.984 176.117 -0.610 0.000 1.111 5096 I CA 1.695 62.310 61.300 -1.141 0.000 1.382 5096 I CB -0.705 36.639 38.000 -1.093 0.000 1.060 5096 I HN 0.503 nan 8.210 nan 0.000 0.418 5097 W N 1.188 122.328 121.300 -0.267 0.000 2.611 5097 W HA -0.020 4.199 4.660 -0.735 0.000 0.251 5097 W C 1.582 178.053 176.519 -0.080 0.000 1.265 5097 W CA 0.292 57.554 57.345 -0.139 0.000 1.295 5097 W CB -0.823 28.602 29.460 -0.059 0.000 1.129 5097 W HN -0.047 nan 8.180 nan 0.000 0.630 5098 E N 0.761 120.817 120.200 -0.241 0.000 2.489 5098 E HA 0.205 4.114 4.350 -0.734 0.000 0.193 5098 E C 0.443 177.045 176.600 0.003 0.000 1.057 5098 E CA 0.379 56.759 56.400 -0.034 0.000 0.866 5098 E CB 0.039 29.710 29.700 -0.048 0.000 0.916 5098 E HN 0.276 nan 8.360 nan 0.000 0.500 5099 A N 0.183 122.944 122.820 -0.098 0.000 2.294 5099 A HA 0.607 4.486 4.320 -0.734 0.000 0.330 5099 A C 0.996 178.617 177.584 0.062 0.000 1.133 5099 A CA 0.172 52.230 52.037 0.035 0.000 0.836 5099 A CB 1.220 20.227 19.000 0.013 0.000 1.190 5099 A HN 0.093 nan 8.150 nan 0.000 0.492 5100 A N 0.388 123.267 122.820 0.100 0.000 2.123 5100 A HA 0.464 4.344 4.320 -0.734 0.000 0.214 5100 A C 0.892 178.507 177.584 0.052 0.000 1.152 5100 A CA 1.312 53.392 52.037 0.071 0.000 0.728 5100 A CB -0.506 18.535 19.000 0.068 0.000 0.814 5100 A HN 2.086 nan 8.150 nan 0.000 0.464 5101 S N -3.204 112.533 115.700 0.062 0.000 2.597 5101 S HA 0.414 4.443 4.470 -0.734 0.000 0.274 5101 S C 0.285 174.937 174.600 0.086 0.000 1.132 5101 S CA -0.370 57.859 58.200 0.049 0.000 0.835 5101 S CB -0.027 63.202 63.200 0.049 0.000 1.092 5101 S HN 0.052 nan 8.310 nan 0.000 0.457 5102 L N 0.993 122.255 121.223 0.065 0.000 2.013 5102 L HA -0.174 3.725 4.340 -0.734 0.000 0.212 5102 L C 1.982 178.989 176.870 0.228 0.000 1.073 5102 L CA 2.291 57.214 54.840 0.138 0.000 0.753 5102 L CB -0.849 41.258 42.059 0.080 0.000 0.890 5102 L HN 0.801 nan 8.230 nan 0.000 0.432 5103 D N -0.542 119.945 120.400 0.144 0.000 2.149 5103 D HA -0.283 3.916 4.640 -0.734 0.000 0.194 5103 D C 1.964 178.363 176.300 0.164 0.000 1.001 5103 D CA 1.577 55.656 54.000 0.132 0.000 0.849 5103 D CB -0.148 40.700 40.800 0.080 0.000 0.939 5103 D HN 0.463 nan 8.370 nan 0.000 0.449 5104 E N -0.583 119.716 120.200 0.165 0.000 2.051 5104 E HA -0.211 3.698 4.350 -0.734 0.000 0.192 5104 E C 1.925 178.718 176.600 0.321 0.000 0.991 5104 E CA 0.843 57.359 56.400 0.193 0.000 0.799 5104 E CB -0.311 29.498 29.700 0.183 0.000 0.748 5104 E HN 0.430 nan 8.360 nan 0.000 0.449 5105 W N 1.335 122.706 121.300 0.118 0.000 2.338 5105 W HA -0.175 4.041 4.660 -0.739 0.000 0.304 5105 W C 1.884 178.473 176.519 0.116 0.000 1.212 5105 W CA 1.752 59.150 57.345 0.089 0.000 1.264 5105 W CB -0.289 29.097 29.460 -0.123 0.000 1.142 5105 W HN 0.110 nan 8.180 nan 0.000 0.512 5106 L N -1.394 119.903 121.223 0.123 0.000 2.044 5106 L HA -0.213 3.687 4.340 -0.734 0.000 0.205 5106 L C 2.405 179.226 176.870 -0.081 0.000 1.075 5106 L CA 1.590 56.385 54.840 -0.076 0.000 0.747 5106 L CB -1.421 40.656 42.059 0.030 0.000 0.903 5106 L HN -0.020 nan 8.230 nan 0.000 0.435 5107 Y N 1.026 121.276 120.300 -0.084 0.000 2.256 5107 Y HA -0.225 3.885 4.550 -0.733 0.000 0.288 5107 Y C 2.178 178.003 175.900 -0.126 0.000 1.155 5107 Y CA 1.534 59.574 58.100 -0.099 0.000 1.203 5107 Y CB -0.034 38.394 38.460 -0.052 0.000 0.980 5107 Y HN 0.237 nan 8.280 nan 0.000 0.530 5108 N N -0.414 118.335 118.700 0.082 0.000 2.336 5108 N HA 0.086 4.386 4.740 -0.734 0.000 0.189 5108 N C 1.038 176.431 175.510 -0.196 0.000 1.113 5108 N CA 0.976 53.992 53.050 -0.057 0.000 0.858 5108 N CB 0.500 38.928 38.487 -0.097 0.000 0.970 5108 N HN 0.496 nan 8.380 nan 0.000 0.471 5109 G N 0.490 109.135 108.800 -0.258 0.000 2.132 5109 G HA2 -0.257 3.262 3.960 -0.734 0.000 0.228 5109 G HA3 -0.257 3.262 3.960 -0.734 0.000 0.228 5109 G C 1.125 175.755 174.900 -0.449 0.000 1.000 5109 G CA 0.256 45.157 45.100 -0.332 0.000 0.693 5109 G HN 0.423 nan 8.290 nan 0.000 0.515 5110 G N 0.926 109.264 108.800 -0.769 0.000 2.505 5110 G HA2 -0.105 3.415 3.960 -0.734 0.000 0.220 5110 G HA3 -0.105 3.415 3.960 -0.734 0.000 0.220 5110 G C 0.134 174.307 174.900 -1.212 0.000 1.145 5110 G CA 1.841 46.105 45.100 -1.394 0.000 0.761 5110 G HN 0.546 nan 8.290 nan 0.000 0.571 5111 P HA -0.190 nan 4.420 nan 0.000 0.217 5111 P C 1.386 178.535 177.300 -0.253 0.000 1.151 5111 P CA 1.094 63.872 63.100 -0.537 0.000 0.849 5111 P CB -0.131 31.342 31.700 -0.379 0.000 0.787 5112 Y N 0.689 120.751 120.300 -0.395 0.000 2.070 5112 Y HA -0.290 3.831 4.550 -0.716 0.000 0.280 5112 Y C 2.491 178.105 175.900 -0.477 0.000 1.148 5112 Y CA 1.777 59.658 58.100 -0.366 0.000 1.125 5112 Y CB -0.800 37.458 38.460 -0.337 0.000 0.975 5112 Y HN -0.067 nan 8.280 nan 0.000 0.492 5113 Q N -0.284 119.251 119.800 -0.442 0.000 2.077 5113 Q HA -0.278 3.621 4.340 -0.734 0.000 0.206 5113 Q C 2.266 177.817 176.000 -0.748 0.000 0.989 5113 Q CA 2.066 57.312 55.803 -0.929 0.000 0.853 5113 Q CB -0.621 27.673 28.738 -0.739 0.000 0.907 5113 Q HN 0.558 nan 8.270 nan 0.000 0.418 5114 L N 0.832 121.887 121.223 -0.279 0.000 2.013 5114 L HA -0.212 3.688 4.340 -0.734 0.000 0.212 5114 L C 2.120 178.974 176.870 -0.025 0.000 1.073 5114 L CA 1.711 56.550 54.840 -0.001 0.000 0.753 5114 L CB -0.364 41.789 42.059 0.157 0.000 0.890 5114 L HN 0.188 nan 8.230 nan 0.000 0.432 5115 I N -0.375 120.084 120.570 -0.184 0.000 2.315 5115 I HA -0.267 3.462 4.170 -0.734 0.000 0.248 5115 I C 2.387 178.335 176.117 -0.281 0.000 1.117 5115 I CA 1.811 62.996 61.300 -0.191 0.000 1.404 5115 I CB -0.382 37.493 38.000 -0.208 0.000 1.071 5115 I HN 0.462 nan 8.210 nan 0.000 0.419 5116 I N -2.171 118.042 120.570 -0.594 0.000 2.400 5116 I HA -0.150 3.580 4.170 -0.734 0.000 0.248 5116 I C 2.386 178.434 176.117 -0.115 0.000 1.109 5116 I CA 1.323 62.296 61.300 -0.544 0.000 1.425 5116 I CB -0.755 36.672 38.000 -0.954 0.000 1.094 5116 I HN -0.024 nan 8.210 nan 0.000 0.425 5117 F N 1.244 121.092 119.950 -0.169 0.000 2.161 5117 F HA -0.210 3.865 4.527 -0.753 0.000 0.300 5117 F C 2.517 178.276 175.800 -0.069 0.000 1.089 5117 F CA 1.391 59.334 58.000 -0.094 0.000 1.282 5117 F CB -0.532 38.442 39.000 -0.043 0.000 1.010 5117 F HN 0.172 nan 8.300 nan 0.000 0.485 5118 H N -1.275 117.883 119.070 0.146 0.000 2.363 5118 H HA -0.135 3.975 4.556 -0.743 0.000 0.301 5118 H C 1.806 177.179 175.328 0.074 0.000 1.074 5118 H CA 1.816 57.928 56.048 0.107 0.000 1.354 5118 H CB -0.377 29.439 29.762 0.090 0.000 1.397 5118 H HN 0.240 nan 8.280 nan 0.000 0.516 5119 F N 0.690 120.665 119.950 0.042 0.000 2.186 5119 F HA -0.130 4.411 4.527 0.022 0.000 0.299 5119 F C 1.724 177.512 175.800 -0.019 0.000 1.090 5119 F CA 1.049 59.037 58.000 -0.020 0.000 1.307 5119 F CB -0.281 38.651 39.000 -0.113 0.000 1.019 5119 F HN 0.039 nan 8.300 nan 0.000 0.489 5120 L N -0.416 120.753 121.223 -0.090 0.000 2.141 5120 L HA -0.188 3.712 4.340 -0.734 0.000 0.209 5120 L C 2.343 179.108 176.870 -0.174 0.000 1.094 5120 L CA 0.600 55.256 54.840 -0.308 0.000 0.763 5120 L CB -0.655 41.168 42.059 -0.392 0.000 0.908 5120 L HN 0.282 nan 8.230 nan 0.000 0.437 5121 L N 0.015 121.198 121.223 -0.067 0.000 2.005 5121 L HA -0.042 3.858 4.340 -0.734 0.000 0.207 5121 L C 2.465 179.329 176.870 -0.010 0.000 1.072 5121 L CA 2.122 56.963 54.840 0.002 0.000 0.744 5121 L CB -1.134 40.921 42.059 -0.006 0.000 0.895 5121 L HN 0.122 nan 8.230 nan 0.000 0.433 5122 G N -1.306 107.470 108.800 -0.040 0.000 2.418 5122 G HA2 -0.254 3.266 3.960 -0.734 0.000 0.217 5122 G HA3 -0.254 3.266 3.960 -0.734 0.000 0.217 5122 G C 1.572 176.432 174.900 -0.066 0.000 1.158 5122 G CA 0.747 45.835 45.100 -0.020 0.000 0.771 5122 G HN 0.583 nan 8.290 nan 0.000 0.545 5123 A N 0.396 123.039 122.820 -0.296 0.000 2.070 5123 A HA 0.092 3.971 4.320 -0.734 0.000 0.220 5123 A C 2.638 180.277 177.584 0.092 0.000 1.159 5123 A CA 2.121 54.007 52.037 -0.251 0.000 0.656 5123 A CB -0.320 18.238 19.000 -0.738 0.000 0.800 5123 A HN 0.318 nan 8.150 nan 0.000 0.453 5124 S N -1.043 114.698 115.700 0.068 0.000 2.348 5124 S HA -0.139 3.891 4.470 -0.734 0.000 0.219 5124 S C 1.926 176.496 174.600 -0.050 0.000 1.033 5124 S CA 1.221 59.481 58.200 0.101 0.000 0.974 5124 S CB -0.575 62.703 63.200 0.130 0.000 0.868 5124 S HN 0.738 nan 8.310 nan 0.000 0.459 5125 C N 0.751 119.994 119.300 -0.095 0.000 2.411 5125 C HA -0.089 3.931 4.460 -0.734 0.000 0.279 5125 C C 2.315 177.215 174.990 -0.150 0.000 1.288 5125 C CA 0.416 59.282 59.018 -0.254 0.000 1.764 5125 C CB -1.498 26.253 27.740 0.017 0.000 1.974 5125 C HN 0.694 nan 8.230 nan 0.000 0.498 5126 Y N 1.127 121.359 120.300 -0.113 0.000 2.274 5126 Y HA -0.221 3.916 4.550 -0.687 0.000 0.290 5126 Y C 2.515 178.323 175.900 -0.153 0.000 1.145 5126 Y CA 1.917 59.949 58.100 -0.113 0.000 1.203 5126 Y CB -0.337 38.066 38.460 -0.095 0.000 0.984 5126 Y HN 0.360 nan 8.280 nan 0.000 0.533 5127 M N -0.764 118.908 119.600 0.119 0.000 2.156 5127 M HA 0.008 4.047 4.480 -0.734 0.000 0.264 5127 M C 2.245 178.527 176.300 -0.029 0.000 1.067 5127 M CA 2.066 57.450 55.300 0.140 0.000 1.131 5127 M CB -0.514 32.266 32.600 0.300 0.000 1.368 5127 M HN 0.271 nan 8.290 nan 0.000 0.416 5128 G N 0.217 108.825 108.800 -0.321 0.000 2.421 5128 G HA2 -0.222 3.297 3.960 -0.734 0.000 0.216 5128 G HA3 -0.222 3.297 3.960 -0.734 0.000 0.216 5128 G C 1.630 176.699 174.900 0.280 0.000 1.171 5128 G CA 0.773 45.575 45.100 -0.496 0.000 0.775 5128 G HN 0.470 nan 8.290 nan 0.000 0.543 5129 R N 0.150 120.712 120.500 0.104 0.000 2.103 5129 R HA -0.088 3.811 4.340 -0.734 0.000 0.242 5129 R C 2.329 178.680 176.300 0.085 0.000 1.142 5129 R CA 1.369 57.565 56.100 0.160 0.000 0.960 5129 R CB -0.257 29.971 30.300 -0.119 0.000 0.858 5129 R HN 0.389 nan 8.270 nan 0.000 0.439 5130 Q N -1.137 118.628 119.800 -0.059 0.000 2.576 5130 Q HA -0.184 3.715 4.340 -0.734 0.000 0.219 5130 Q C 0.622 176.710 176.000 0.146 0.000 0.976 5130 Q CA 0.819 56.591 55.803 -0.052 0.000 0.977 5130 Q CB 0.089 28.735 28.738 -0.155 0.000 0.988 5130 Q HN 0.530 nan 8.270 nan 0.000 0.555 5131 W N -0.815 120.527 121.300 0.071 0.000 4.168 5131 W HA 0.134 4.349 4.660 -0.741 0.000 0.211 5131 W C 1.528 178.141 176.519 0.157 0.000 1.002 5131 W CA 0.103 57.511 57.345 0.104 0.000 1.903 5131 W CB 0.031 29.569 29.460 0.130 0.000 0.828 5131 W HN -0.050 nan 8.180 nan 0.000 0.876 5132 E N 0.897 120.875 120.200 -0.370 0.000 2.068 5132 E HA -0.346 3.564 4.350 -0.734 0.000 0.207 5132 E C 2.121 178.520 176.600 -0.335 0.000 1.032 5132 E CA 2.534 58.479 56.400 -0.757 0.000 0.839 5132 E CB -0.493 29.264 29.700 0.094 0.000 0.758 5132 E HN 0.299 nan 8.360 nan 0.000 0.457 5133 L N 0.903 122.129 121.223 0.005 0.000 2.012 5133 L HA -0.231 3.669 4.340 -0.734 0.000 0.210 5133 L C 2.519 179.253 176.870 -0.227 0.000 1.073 5133 L CA 2.589 57.356 54.840 -0.123 0.000 0.748 5133 L CB -0.891 41.197 42.059 0.048 0.000 0.891 5133 L HN 0.247 nan 8.230 nan 0.000 0.431 5134 S N -1.496 114.088 115.700 -0.194 0.000 2.365 5134 S HA -0.334 3.695 4.470 -0.734 0.000 0.225 5134 S C 2.131 176.619 174.600 -0.187 0.000 1.039 5134 S CA 1.521 59.620 58.200 -0.168 0.000 1.033 5134 S CB -1.324 61.805 63.200 -0.117 0.000 0.887 5134 S HN 0.580 nan 8.310 nan 0.000 0.447 5135 Y N 3.502 123.520 120.300 -0.471 0.000 2.070 5135 Y HA -0.057 4.052 4.550 -0.734 0.000 0.280 5135 Y C 2.608 178.316 175.900 -0.320 0.000 1.148 5135 Y CA 1.898 59.743 58.100 -0.424 0.000 1.125 5135 Y CB -0.555 37.497 38.460 -0.681 0.000 0.975 5135 Y HN 0.147 nan 8.280 nan 0.000 0.492 5136 R N 0.243 120.531 120.500 -0.354 0.000 2.261 5136 R HA -0.108 3.792 4.340 -0.734 0.000 0.236 5136 R C 1.667 177.758 176.300 -0.347 0.000 1.141 5136 R CA 1.189 57.044 56.100 -0.409 0.000 1.001 5136 R CB -0.793 29.224 30.300 -0.471 0.000 0.866 5136 R HN 0.446 nan 8.270 nan 0.000 0.468 5137 L N -0.470 120.582 121.223 -0.286 0.000 2.728 5137 L HA 0.240 4.139 4.340 -0.734 0.000 0.238 5137 L C 0.940 177.702 176.870 -0.179 0.000 1.143 5137 L CA 0.203 54.913 54.840 -0.218 0.000 0.937 5137 L CB 0.183 42.134 42.059 -0.180 0.000 1.225 5137 L HN 0.279 nan 8.230 nan 0.000 0.507 5138 G N 1.592 110.269 108.800 -0.205 0.000 2.180 5138 G HA2 -0.333 3.186 3.960 -0.734 0.000 0.263 5138 G HA3 -0.333 3.186 3.960 -0.734 0.000 0.263 5138 G C 0.415 175.249 174.900 -0.110 0.000 0.989 5138 G CA 0.943 45.947 45.100 -0.159 0.000 0.692 5138 G HN 0.483 nan 8.290 nan 0.000 0.526 5139 M N -0.906 118.629 119.600 -0.107 0.000 2.267 5139 M HA 0.703 4.742 4.480 -0.734 0.000 0.303 5139 M C 0.760 176.997 176.300 -0.105 0.000 1.164 5139 M CA -0.919 54.327 55.300 -0.090 0.000 1.060 5139 M CB 0.736 33.291 32.600 -0.076 0.000 1.455 5139 M HN 0.075 nan 8.290 nan 0.000 0.483 5140 R N 0.797 121.221 120.500 -0.126 0.000 2.694 5140 R HA 0.228 4.127 4.340 -0.734 0.000 0.268 5140 R C -1.854 174.305 176.300 -0.235 0.000 1.061 5140 R CA -1.172 54.785 56.100 -0.238 0.000 1.133 5140 R CB -0.181 29.963 30.300 -0.260 0.000 1.020 5140 R HN 0.555 nan 8.270 nan 0.000 0.475 5141 P HA -0.135 nan 4.420 nan 0.000 0.208 5141 P C 0.199 177.490 177.300 -0.016 0.000 1.100 5141 P CA 0.517 63.498 63.100 -0.198 0.000 0.673 5141 P CB -0.082 31.458 31.700 -0.267 0.000 0.690 5142 W N -1.772 119.636 121.300 0.180 0.000 4.404 5142 W HA -0.248 3.968 4.660 -0.740 0.000 0.296 5142 W C 2.023 178.631 176.519 0.148 0.000 1.050 5142 W CA 0.181 57.624 57.345 0.164 0.000 0.895 5142 W CB -2.609 26.944 29.460 0.155 0.000 1.964 5142 W HN 0.149 nan 8.180 nan 0.000 1.583 5143 I N 0.600 121.350 120.570 0.300 0.000 2.208 5143 I HA -0.331 3.398 4.170 -0.734 0.000 0.245 5143 I C 2.565 178.818 176.117 0.228 0.000 1.097 5143 I CA 2.215 63.643 61.300 0.214 0.000 1.363 5143 I CB -0.663 37.414 38.000 0.130 0.000 1.051 5143 I HN 0.220 nan 8.210 nan 0.000 0.413 5144 C N -0.690 118.760 119.300 0.249 0.000 2.422 5144 C HA -0.046 3.974 4.460 -0.734 0.000 0.286 5144 C C 2.462 177.635 174.990 0.305 0.000 1.412 5144 C CA -0.001 59.178 59.018 0.268 0.000 1.786 5144 C CB -1.472 26.433 27.740 0.274 0.000 1.835 5144 C HN 0.335 nan 8.230 nan 0.000 0.533 5145 V N 1.131 121.231 119.914 0.310 0.000 3.052 5145 V HA 0.111 3.790 4.120 -0.734 0.000 0.254 5145 V C 2.943 179.164 176.094 0.212 0.000 1.100 5145 V CA 1.550 64.032 62.300 0.304 0.000 1.112 5145 V CB -0.566 31.453 31.823 0.325 0.000 0.738 5145 V HN 0.687 nan 8.190 nan 0.000 0.469 5146 A N -0.937 121.966 122.820 0.138 0.000 1.970 5146 A HA -0.171 3.708 4.320 -0.734 0.000 0.216 5146 A C 2.020 179.599 177.584 -0.008 0.000 1.170 5146 A CA 1.254 53.269 52.037 -0.037 0.000 0.645 5146 A CB -0.594 18.411 19.000 0.008 0.000 0.816 5146 A HN 0.640 nan 8.150 nan 0.000 0.447 5147 Y N 1.398 121.706 120.300 0.014 0.000 2.583 5147 Y HA -0.046 4.048 4.550 -0.759 0.000 0.293 5147 Y C 2.248 178.186 175.900 0.063 0.000 1.157 5147 Y CA 1.112 59.237 58.100 0.043 0.000 1.315 5147 Y CB -0.016 38.514 38.460 0.115 0.000 1.021 5147 Y HN 0.394 nan 8.280 nan 0.000 0.536 5148 S N -0.865 114.880 115.700 0.075 0.000 2.607 5148 S HA 0.082 4.111 4.470 -0.734 0.000 0.224 5148 S C 1.832 176.496 174.600 0.106 0.000 0.969 5148 S CA 0.341 58.603 58.200 0.103 0.000 0.927 5148 S CB -0.241 63.145 63.200 0.310 0.000 0.772 5148 S HN 0.457 nan 8.310 nan 0.000 0.533 5149 A N 2.827 125.562 122.820 -0.141 0.000 1.861 5149 A HA 0.333 4.212 4.320 -0.734 0.000 0.212 5149 A C -0.068 177.418 177.584 -0.163 0.000 1.199 5149 A CA 0.619 52.510 52.037 -0.243 0.000 0.613 5149 A CB -1.470 17.185 19.000 -0.575 0.000 0.846 5149 A HN 0.507 nan 8.150 nan 0.000 0.446 5150 P HA -0.142 nan 4.420 nan 0.000 0.214 5150 P C 1.717 178.895 177.300 -0.204 0.000 1.163 5150 P CA 0.851 63.816 63.100 -0.225 0.000 0.883 5150 P CB -0.079 31.464 31.700 -0.261 0.000 0.788 5151 L N -0.035 120.983 121.223 -0.341 0.000 2.013 5151 L HA -0.216 3.683 4.340 -0.734 0.000 0.212 5151 L C 2.229 179.166 176.870 0.112 0.000 1.073 5151 L CA 2.328 57.092 54.840 -0.127 0.000 0.753 5151 L CB -1.557 40.396 42.059 -0.177 0.000 0.890 5151 L HN -0.104 nan 8.230 nan 0.000 0.432 5152 A N -1.977 120.868 122.820 0.041 0.000 2.024 5152 A HA -0.186 3.694 4.320 -0.734 0.000 0.220 5152 A C 2.364 180.000 177.584 0.087 0.000 1.164 5152 A CA 2.009 54.093 52.037 0.078 0.000 0.643 5152 A CB -0.735 18.319 19.000 0.090 0.000 0.806 5152 A HN 0.558 nan 8.150 nan 0.000 0.451 5153 S N -0.635 115.072 115.700 0.011 0.000 2.425 5153 S HA 0.172 4.201 4.470 -0.734 0.000 0.225 5153 S C 2.140 176.670 174.600 -0.117 0.000 1.024 5153 S CA 0.737 58.906 58.200 -0.052 0.000 0.951 5153 S CB -0.162 62.977 63.200 -0.102 0.000 0.796 5153 S HN 0.764 nan 8.310 nan 0.000 0.498 5154 A N 0.110 122.873 122.820 -0.095 0.000 2.067 5154 A HA 0.194 4.074 4.320 -0.734 0.000 0.217 5154 A C 1.672 179.179 177.584 -0.128 0.000 1.156 5154 A CA 0.668 52.562 52.037 -0.239 0.000 0.683 5154 A CB -0.538 18.477 19.000 0.026 0.000 0.808 5154 A HN 0.448 nan 8.150 nan 0.000 0.455 5155 F N -0.035 119.903 119.950 -0.021 0.000 2.187 5155 F HA 0.076 4.157 4.527 -0.743 0.000 0.295 5155 F C 2.665 178.518 175.800 0.088 0.000 1.091 5155 F CA 0.913 58.962 58.000 0.081 0.000 1.308 5155 F CB -0.202 38.836 39.000 0.063 0.000 1.030 5155 F HN 0.258 nan 8.300 nan 0.000 0.487 5156 A N -0.266 122.686 122.820 0.220 0.000 1.841 5156 A HA -0.174 3.705 4.320 -0.734 0.000 0.216 5156 A C 2.304 179.983 177.584 0.158 0.000 1.199 5156 A CA 2.095 54.239 52.037 0.177 0.000 0.621 5156 A CB -1.335 17.727 19.000 0.103 0.000 0.835 5156 A HN 0.140 nan 8.150 nan 0.000 0.445 5157 V N -1.275 118.622 119.914 -0.029 0.000 2.469 5157 V HA -0.227 3.453 4.120 -0.734 0.000 0.251 5157 V C 2.145 178.245 176.094 0.011 0.000 1.064 5157 V CA 1.975 64.178 62.300 -0.160 0.000 1.066 5157 V CB -0.704 30.812 31.823 -0.512 0.000 0.667 5157 V HN 0.624 nan 8.190 nan 0.000 0.461 5158 F N -2.311 117.671 119.950 0.052 0.000 2.678 5158 F HA 0.155 4.195 4.527 -0.811 0.000 0.291 5158 F C 1.684 177.630 175.800 0.242 0.000 1.123 5158 F CA 0.138 58.191 58.000 0.088 0.000 1.395 5158 F CB 0.616 39.590 39.000 -0.042 0.000 1.121 5158 F HN 0.183 nan 8.300 nan 0.000 0.592 5159 L N -0.960 120.522 121.223 0.432 0.000 2.678 5159 L HA 0.222 4.122 4.340 -0.734 0.000 0.211 5159 L C 1.673 178.757 176.870 0.358 0.000 1.043 5159 L CA 0.742 55.856 54.840 0.456 0.000 0.881 5159 L CB -0.615 41.675 42.059 0.385 0.000 1.361 5159 L HN -0.201 nan 8.230 nan 0.000 0.484 5160 I N -0.142 120.619 120.570 0.320 0.000 2.142 5160 I HA -0.265 3.464 4.170 -0.734 0.000 0.240 5160 I C 2.507 178.699 176.117 0.125 0.000 1.078 5160 I CA 1.704 63.140 61.300 0.226 0.000 1.343 5160 I CB -1.413 36.730 38.000 0.237 0.000 1.046 5160 I HN 0.337 nan 8.210 nan 0.000 0.405 5161 Y N 2.247 122.605 120.300 0.097 0.000 2.193 5161 Y HA -0.177 3.929 4.550 -0.739 0.000 0.285 5161 Y C -0.457 175.467 175.900 0.039 0.000 1.166 5161 Y CA 1.882 60.032 58.100 0.083 0.000 1.181 5161 Y CB -1.721 36.907 38.460 0.280 0.000 0.976 5161 Y HN 0.164 nan 8.280 nan 0.000 0.520 5162 P HA -0.108 nan 4.420 nan 0.000 0.217 5162 P C 1.785 178.929 177.300 -0.259 0.000 1.154 5162 P CA 1.839 64.854 63.100 -0.141 0.000 0.841 5162 P CB -0.062 31.607 31.700 -0.051 0.000 0.788 5163 I N -0.864 119.610 120.570 -0.160 0.000 2.423 5163 I HA -0.193 3.536 4.170 -0.734 0.000 0.254 5163 I C 2.272 178.298 176.117 -0.152 0.000 1.151 5163 I CA 1.699 62.931 61.300 -0.114 0.000 1.421 5163 I CB -0.949 37.072 38.000 0.035 0.000 1.079 5163 I HN 0.045 nan 8.210 nan 0.000 0.431 5164 G N -0.211 108.387 108.800 -0.336 0.000 2.417 5164 G HA2 -0.140 3.379 3.960 -0.734 0.000 0.212 5164 G HA3 -0.140 3.379 3.960 -0.734 0.000 0.212 5164 G C 1.504 176.213 174.900 -0.318 0.000 1.187 5164 G CA 0.055 44.861 45.100 -0.489 0.000 0.804 5164 G HN 0.237 nan 8.290 nan 0.000 0.534 5165 Q N 0.177 119.735 119.800 -0.404 0.000 2.436 5165 Q HA 0.100 4.000 4.340 -0.734 0.000 0.209 5165 Q C 1.916 177.810 176.000 -0.178 0.000 0.965 5165 Q CA 0.925 56.546 55.803 -0.302 0.000 0.910 5165 Q CB 0.179 28.667 28.738 -0.416 0.000 0.980 5165 Q HN 0.635 nan 8.270 nan 0.000 0.491 5166 G N 0.560 109.254 108.800 -0.177 0.000 2.176 5166 G HA2 -0.223 3.297 3.960 -0.734 0.000 0.232 5166 G HA3 -0.223 3.297 3.960 -0.734 0.000 0.232 5166 G C 0.141 174.957 174.900 -0.139 0.000 0.986 5166 G CA 0.450 45.477 45.100 -0.121 0.000 0.643 5166 G HN 0.421 nan 8.290 nan 0.000 0.522 5167 S N -1.650 113.933 115.700 -0.195 0.000 2.548 5167 S HA 0.597 4.626 4.470 -0.734 0.000 0.278 5167 S C 0.328 174.827 174.600 -0.168 0.000 1.150 5167 S CA -0.157 57.935 58.200 -0.180 0.000 0.907 5167 S CB 0.330 63.492 63.200 -0.062 0.000 1.108 5167 S HN 0.506 nan 8.310 nan 0.000 0.459 5168 F N 2.732 122.731 119.950 0.082 0.000 2.641 5168 F HA 0.010 4.096 4.527 -0.736 0.000 0.298 5168 F C 2.708 178.482 175.800 -0.042 0.000 1.146 5168 F CA 1.124 59.180 58.000 0.093 0.000 1.464 5168 F CB -0.385 38.702 39.000 0.145 0.000 1.101 5168 F HN 0.718 nan 8.300 nan 0.000 0.585 5169 S N -1.654 114.085 115.700 0.064 0.000 2.399 5169 S HA -0.117 3.912 4.470 -0.734 0.000 0.231 5169 S C 0.735 175.342 174.600 0.013 0.000 1.022 5169 S CA 0.726 58.904 58.200 -0.038 0.000 0.983 5169 S CB -0.344 62.830 63.200 -0.044 0.000 0.803 5169 S HN 0.151 nan 8.310 nan 0.000 0.480 5170 D N 1.140 121.596 120.400 0.094 0.000 2.423 5170 D HA 0.572 4.771 4.640 -0.734 0.000 0.255 5170 D C 0.432 176.932 176.300 0.335 0.000 1.174 5170 D CA 0.947 55.088 54.000 0.236 0.000 1.008 5170 D CB 0.794 41.723 40.800 0.214 0.000 1.101 5170 D HN 0.533 nan 8.370 nan 0.000 0.516 5171 G N 0.961 110.111 108.800 0.583 0.000 3.391 5171 G HA2 -0.190 3.330 3.960 -0.734 0.000 0.683 5171 G HA3 -0.190 3.330 3.960 -0.734 0.000 0.683 5171 G C 0.161 175.113 174.900 0.087 0.000 1.071 5171 G CA -0.325 45.035 45.100 0.433 0.000 0.904 5171 G HN 0.522 nan 8.290 nan 0.000 0.452 5172 M N 3.927 123.127 119.600 -0.665 0.000 2.166 5172 M HA -0.044 3.995 4.480 -0.734 0.000 0.468 5172 M C -1.302 175.025 176.300 0.046 0.000 1.270 5172 M CA 0.625 55.583 55.300 -0.569 0.000 0.685 5172 M CB 0.283 32.334 32.600 -0.914 0.000 1.934 5172 M HN 0.437 nan 8.290 nan 0.000 0.548 5173 P HA 0.185 nan 4.420 nan 0.000 0.286 5173 P C -1.048 176.322 177.300 0.117 0.000 1.261 5173 P CA -0.383 62.757 63.100 0.067 0.000 0.821 5173 P CB 0.559 32.245 31.700 -0.023 0.000 1.013 5174 L N 2.253 123.570 121.223 0.157 0.000 2.400 5174 L HA 0.454 4.354 4.340 -0.734 0.000 0.262 5174 L C 1.064 178.067 176.870 0.221 0.000 1.309 5174 L CA 0.267 55.181 54.840 0.122 0.000 1.186 5174 L CB -1.118 40.995 42.059 0.091 0.000 1.375 5174 L HN 0.585 nan 8.230 nan 0.000 0.433 5175 G N 0.574 109.453 108.800 0.131 0.000 2.616 5175 G HA2 0.336 3.856 3.960 -0.734 0.000 0.294 5175 G HA3 0.336 3.856 3.960 -0.734 0.000 0.294 5175 G C 0.291 175.182 174.900 -0.016 0.000 1.489 5175 G CA -0.750 44.446 45.100 0.160 0.000 0.836 5175 G HN 0.203 nan 8.290 nan 0.000 0.527 5176 I N 0.378 120.927 120.570 -0.035 0.000 2.127 5176 I HA -0.200 3.530 4.170 -0.734 0.000 0.241 5176 I C 2.805 178.540 176.117 -0.636 0.000 1.075 5176 I CA 1.954 63.093 61.300 -0.267 0.000 1.334 5176 I CB -0.013 37.906 38.000 -0.136 0.000 1.040 5176 I HN 0.502 nan 8.210 nan 0.000 0.405 5177 S N 0.191 115.686 115.700 -0.342 0.000 2.414 5177 S HA -0.030 3.999 4.470 -0.734 0.000 0.227 5177 S C 1.930 176.439 174.600 -0.152 0.000 1.022 5177 S CA 1.104 59.146 58.200 -0.264 0.000 0.958 5177 S CB -0.273 62.931 63.200 0.006 0.000 0.797 5177 S HN 0.582 nan 8.310 nan 0.000 0.493 5178 G N -0.023 108.717 108.800 -0.099 0.000 2.598 5178 G HA2 -0.064 3.455 3.960 -0.734 0.000 0.215 5178 G HA3 -0.064 3.455 3.960 -0.734 0.000 0.215 5178 G C 1.263 176.175 174.900 0.020 0.000 1.131 5178 G CA 1.084 46.179 45.100 -0.008 0.000 0.785 5178 G HN 0.490 nan 8.290 nan 0.000 0.539 5179 T N 0.409 114.893 114.554 -0.116 0.000 2.937 5179 T HA 0.068 3.978 4.350 -0.734 0.000 0.260 5179 T C 1.936 176.709 174.700 0.122 0.000 1.051 5179 T CA 0.319 62.392 62.100 -0.046 0.000 1.141 5179 T CB -0.255 68.493 68.868 -0.199 0.000 0.879 5179 T HN 0.403 nan 8.240 nan 0.000 0.459 5180 F N 1.808 121.819 119.950 0.102 0.000 2.259 5180 F HA -0.019 4.070 4.527 -0.731 0.000 0.298 5180 F C 2.641 178.495 175.800 0.091 0.000 1.088 5180 F CA 0.152 58.200 58.000 0.079 0.000 1.358 5180 F CB -0.254 38.779 39.000 0.055 0.000 1.040 5180 F HN 0.180 nan 8.300 nan 0.000 0.505 5181 N N 1.126 119.986 118.700 0.266 0.000 2.058 5181 N HA -0.253 4.046 4.740 -0.734 0.000 0.191 5181 N C 2.031 177.674 175.510 0.223 0.000 1.037 5181 N CA 1.352 54.525 53.050 0.205 0.000 0.848 5181 N CB -0.460 38.124 38.487 0.161 0.000 1.021 5181 N HN 0.227 nan 8.380 nan 0.000 0.422 5182 F N 1.723 121.735 119.950 0.103 0.000 2.115 5182 F HA -0.202 3.893 4.527 -0.719 0.000 0.300 5182 F C 2.394 178.267 175.800 0.121 0.000 1.092 5182 F CA 1.612 59.679 58.000 0.112 0.000 1.245 5182 F CB -0.294 38.749 39.000 0.071 0.000 0.995 5182 F HN 0.085 nan 8.300 nan 0.000 0.481 5183 M N -0.191 119.450 119.600 0.068 0.000 2.073 5183 M HA -0.164 3.876 4.480 -0.734 0.000 0.259 5183 M C 2.291 178.580 176.300 -0.018 0.000 1.079 5183 M CA 1.853 57.124 55.300 -0.049 0.000 1.131 5183 M CB -0.663 31.976 32.600 0.065 0.000 1.316 5183 M HN 0.074 nan 8.290 nan 0.000 0.415 5184 I N -0.098 120.496 120.570 0.041 0.000 2.315 5184 I HA -0.279 3.450 4.170 -0.734 0.000 0.251 5184 I C 2.208 178.320 176.117 -0.010 0.000 1.125 5184 I CA 1.130 62.443 61.300 0.021 0.000 1.392 5184 I CB -0.542 37.486 38.000 0.047 0.000 1.065 5184 I HN 0.150 nan 8.210 nan 0.000 0.424 5185 V N 0.179 120.088 119.914 -0.009 0.000 2.379 5185 V HA -0.234 3.446 4.120 -0.734 0.000 0.243 5185 V C 2.205 178.239 176.094 -0.100 0.000 1.035 5185 V CA 1.429 63.684 62.300 -0.075 0.000 1.035 5185 V CB -0.621 31.192 31.823 -0.016 0.000 0.673 5185 V HN 0.269 nan 8.190 nan 0.000 0.457 5186 F N 1.092 120.880 119.950 -0.269 0.000 2.087 5186 F HA -0.364 3.725 4.527 -0.731 0.000 0.299 5186 F C 2.674 178.384 175.800 -0.150 0.000 1.100 5186 F CA 2.554 60.393 58.000 -0.268 0.000 1.226 5186 F CB -0.227 38.436 39.000 -0.562 0.000 0.983 5186 F HN 0.189 nan 8.300 nan 0.000 0.479 5187 Q N 0.934 120.800 119.800 0.109 0.000 1.985 5187 Q HA -0.253 3.647 4.340 -0.734 0.000 0.207 5187 Q C 2.176 178.150 176.000 -0.044 0.000 0.996 5187 Q CA 2.598 58.425 55.803 0.039 0.000 0.851 5187 Q CB -1.106 27.625 28.738 -0.010 0.000 0.921 5187 Q HN 0.409 nan 8.270 nan 0.000 0.418 5188 A N 0.150 122.912 122.820 -0.097 0.000 2.032 5188 A HA -0.245 3.635 4.320 -0.734 0.000 0.221 5188 A C 1.852 179.304 177.584 -0.220 0.000 1.165 5188 A CA 1.964 53.912 52.037 -0.148 0.000 0.645 5188 A CB -0.598 18.289 19.000 -0.189 0.000 0.807 5188 A HN 0.659 nan 8.150 nan 0.000 0.453 5189 E N -2.176 117.842 120.200 -0.305 0.000 2.340 5189 E HA 0.000 3.910 4.350 -0.734 0.000 0.194 5189 E C 0.809 177.009 176.600 -0.666 0.000 0.996 5189 E CA 0.592 56.700 56.400 -0.487 0.000 0.869 5189 E CB 0.043 29.392 29.700 -0.584 0.000 0.835 5189 E HN 0.781 nan 8.360 nan 0.000 0.493 5190 H N -0.578 118.349 119.070 -0.238 0.000 3.360 5190 H HA 0.112 4.229 4.556 -0.732 0.000 0.262 5190 H C 0.053 175.343 175.328 -0.062 0.000 1.149 5190 H CA -0.045 55.896 56.048 -0.178 0.000 1.181 5190 H CB 0.642 30.220 29.762 -0.307 0.000 1.564 5190 H HN 0.052 nan 8.280 nan 0.000 0.565 5191 N N 1.487 120.208 118.700 0.035 0.000 2.714 5191 N HA -0.204 4.096 4.740 -0.734 0.000 0.252 5191 N C 0.988 176.536 175.510 0.064 0.000 1.014 5191 N CA 0.469 53.538 53.050 0.031 0.000 0.735 5191 N CB -1.568 36.923 38.487 0.007 0.000 0.924 5191 N HN 0.532 nan 8.380 nan 0.000 0.540 5192 I N 0.145 120.771 120.570 0.093 0.000 2.151 5192 I HA -0.300 3.430 4.170 -0.734 0.000 0.243 5192 I C 1.883 177.957 176.117 -0.072 0.000 1.080 5192 I CA 1.379 62.712 61.300 0.054 0.000 1.339 5192 I CB -0.053 37.971 38.000 0.039 0.000 1.039 5192 I HN 0.468 nan 8.210 nan 0.000 0.409 5193 L N 0.004 121.129 121.223 -0.162 0.000 2.270 5193 L HA -0.246 3.654 4.340 -0.734 0.000 0.217 5193 L C 1.795 178.684 176.870 0.032 0.000 1.107 5193 L CA 0.941 55.695 54.840 -0.144 0.000 0.772 5193 L CB -0.495 41.517 42.059 -0.079 0.000 0.902 5193 L HN 0.389 nan 8.230 nan 0.000 0.439 5194 M N -1.433 118.206 119.600 0.065 0.000 2.551 5194 M HA 0.145 4.185 4.480 -0.734 0.000 0.252 5194 M C 0.015 176.353 176.300 0.063 0.000 1.219 5194 M CA 0.349 55.724 55.300 0.124 0.000 0.978 5194 M CB -0.672 32.000 32.600 0.120 0.000 1.533 5194 M HN 0.067 nan 8.290 nan 0.000 0.474 5195 H N 0.602 119.644 119.070 -0.047 0.000 2.539 5195 H HA 0.287 4.405 4.556 -0.731 0.000 0.332 5195 H C -2.109 173.170 175.328 -0.081 0.000 1.031 5195 H CA -1.607 54.335 56.048 -0.177 0.000 1.206 5195 H CB 2.183 31.876 29.762 -0.115 0.000 1.446 5195 H HN -0.093 nan 8.280 nan 0.000 0.496 5196 P HA -0.236 nan 4.420 nan 0.000 0.219 5196 P C 1.421 178.868 177.300 0.245 0.000 1.161 5196 P CA 1.342 64.443 63.100 0.001 0.000 0.909 5196 P CB 0.021 31.586 31.700 -0.224 0.000 0.793 5197 F N -2.001 118.110 119.950 0.268 0.000 2.202 5197 F HA -0.199 3.889 4.527 -0.731 0.000 0.301 5197 F C 2.513 178.380 175.800 0.111 0.000 1.082 5197 F CA 0.977 59.061 58.000 0.141 0.000 1.313 5197 F CB -1.658 37.448 39.000 0.177 0.000 1.024 5197 F HN 0.197 nan 8.300 nan 0.000 0.495 5198 H N 0.376 119.588 119.070 0.237 0.000 2.372 5198 H HA -0.062 4.054 4.556 -0.735 0.000 0.301 5198 H C 1.858 177.234 175.328 0.080 0.000 1.065 5198 H CA 1.471 57.579 56.048 0.099 0.000 1.364 5198 H CB 0.100 29.892 29.762 0.050 0.000 1.406 5198 H HN 0.291 nan 8.280 nan 0.000 0.521 5199 Q N 0.283 120.225 119.800 0.238 0.000 2.181 5199 Q HA -0.103 3.797 4.340 -0.734 0.000 0.205 5199 Q C 2.606 178.652 176.000 0.077 0.000 0.980 5199 Q CA 1.239 57.141 55.803 0.165 0.000 0.862 5199 Q CB 0.114 28.955 28.738 0.171 0.000 0.905 5199 Q HN 0.434 nan 8.270 nan 0.000 0.429 5200 L N -0.451 120.804 121.223 0.052 0.000 2.240 5200 L HA -0.031 3.869 4.340 -0.734 0.000 0.211 5200 L C 2.268 179.121 176.870 -0.028 0.000 1.106 5200 L CA 0.694 55.525 54.840 -0.014 0.000 0.793 5200 L CB -0.546 41.440 42.059 -0.120 0.000 0.927 5200 L HN 0.339 nan 8.230 nan 0.000 0.446 5201 G N -0.184 108.581 108.800 -0.059 0.000 2.404 5201 G HA2 -0.180 3.340 3.960 -0.734 0.000 0.215 5201 G HA3 -0.180 3.340 3.960 -0.734 0.000 0.215 5201 G C 1.563 176.351 174.900 -0.188 0.000 1.174 5201 G CA 0.846 45.852 45.100 -0.157 0.000 0.780 5201 G HN 0.172 nan 8.290 nan 0.000 0.537 5202 V N 1.656 121.446 119.914 -0.206 0.000 2.343 5202 V HA -0.109 3.571 4.120 -0.734 0.000 0.247 5202 V C 3.326 179.457 176.094 0.062 0.000 1.051 5202 V CA 1.920 64.128 62.300 -0.154 0.000 1.036 5202 V CB -0.946 30.826 31.823 -0.085 0.000 0.654 5202 V HN 0.459 nan 8.190 nan 0.000 0.451 5203 A N 0.607 123.501 122.820 0.123 0.000 1.978 5203 A HA -0.088 3.792 4.320 -0.734 0.000 0.220 5203 A C 2.365 180.145 177.584 0.327 0.000 1.170 5203 A CA 2.000 54.194 52.037 0.262 0.000 0.636 5203 A CB -1.104 18.028 19.000 0.219 0.000 0.810 5203 A HN 0.531 nan 8.150 nan 0.000 0.448 5204 G N -0.726 108.123 108.800 0.082 0.000 2.434 5204 G HA2 -0.066 3.454 3.960 -0.734 0.000 0.214 5204 G HA3 -0.066 3.454 3.960 -0.734 0.000 0.214 5204 G C 1.509 176.488 174.900 0.130 0.000 1.202 5204 G CA 1.127 46.239 45.100 0.021 0.000 0.788 5204 G HN 0.286 nan 8.290 nan 0.000 0.539 5205 V N 0.132 120.056 119.914 0.016 0.000 2.427 5205 V HA -0.065 3.614 4.120 -0.734 0.000 0.248 5205 V C 2.405 178.551 176.094 0.085 0.000 1.051 5205 V CA 1.391 63.683 62.300 -0.014 0.000 1.048 5205 V CB -0.511 31.233 31.823 -0.131 0.000 0.666 5205 V HN 0.399 nan 8.190 nan 0.000 0.456 5206 F N 0.505 120.446 119.950 -0.015 0.000 2.128 5206 F HA -0.050 4.038 4.527 -0.731 0.000 0.295 5206 F C 2.412 178.143 175.800 -0.115 0.000 1.100 5206 F CA 0.886 58.860 58.000 -0.044 0.000 1.260 5206 F CB -0.468 38.521 39.000 -0.019 0.000 1.009 5206 F HN 0.278 nan 8.300 nan 0.000 0.476 5207 G N -0.057 108.830 108.800 0.145 0.000 2.480 5207 G HA2 -0.246 3.274 3.960 -0.734 0.000 0.216 5207 G HA3 -0.246 3.274 3.960 -0.734 0.000 0.216 5207 G C 1.826 176.414 174.900 -0.520 0.000 1.200 5207 G CA 0.873 45.791 45.100 -0.304 0.000 0.782 5207 G HN 0.494 nan 8.290 nan 0.000 0.554 5208 G N 1.422 110.191 108.800 -0.051 0.000 2.681 5208 G HA2 -0.141 3.378 3.960 -0.734 0.000 0.220 5208 G HA3 -0.141 3.378 3.960 -0.734 0.000 0.220 5208 G C 2.114 176.961 174.900 -0.088 0.000 1.210 5208 G CA 2.320 47.412 45.100 -0.013 0.000 0.783 5208 G HN 0.827 nan 8.290 nan 0.000 0.609 5209 A N 0.628 123.419 122.820 -0.049 0.000 1.869 5209 A HA -0.089 3.790 4.320 -0.734 0.000 0.218 5209 A C 2.447 179.976 177.584 -0.092 0.000 1.203 5209 A CA 2.349 54.367 52.037 -0.033 0.000 0.638 5209 A CB -0.756 18.261 19.000 0.028 0.000 0.831 5209 A HN 0.894 nan 8.150 nan 0.000 0.450 5210 L N -0.735 120.363 121.223 -0.208 0.000 2.021 5210 L HA -0.200 3.699 4.340 -0.734 0.000 0.215 5210 L C 2.217 179.014 176.870 -0.122 0.000 1.074 5210 L CA 2.216 56.903 54.840 -0.256 0.000 0.760 5210 L CB -1.023 40.755 42.059 -0.468 0.000 0.889 5210 L HN 0.463 nan 8.230 nan 0.000 0.433 5211 F N -1.854 118.026 119.950 -0.116 0.000 2.293 5211 F HA -0.138 3.948 4.527 -0.735 0.000 0.297 5211 F C 2.790 178.542 175.800 -0.080 0.000 1.089 5211 F CA 0.447 58.376 58.000 -0.117 0.000 1.377 5211 F CB -0.663 38.227 39.000 -0.184 0.000 1.051 5211 F HN 0.331 nan 8.300 nan 0.000 0.511 5212 C N 0.651 120.005 119.300 0.091 0.000 2.422 5212 C HA -0.089 3.930 4.460 -0.734 0.000 0.279 5212 C C 3.006 178.015 174.990 0.032 0.000 1.305 5212 C CA 1.287 60.333 59.018 0.048 0.000 1.757 5212 C CB -1.256 26.493 27.740 0.014 0.000 1.962 5212 C HN 0.462 nan 8.230 nan 0.000 0.499 5213 A N -0.083 122.748 122.820 0.018 0.000 1.897 5213 A HA -0.001 3.878 4.320 -0.734 0.000 0.215 5213 A C 2.222 179.802 177.584 -0.007 0.000 1.181 5213 A CA 1.600 53.635 52.037 -0.004 0.000 0.620 5213 A CB -0.526 18.467 19.000 -0.011 0.000 0.821 5213 A HN 0.524 nan 8.150 nan 0.000 0.443 5214 M N -0.984 118.630 119.600 0.024 0.000 2.091 5214 M HA -0.132 3.908 4.480 -0.734 0.000 0.259 5214 M C 2.130 178.397 176.300 -0.055 0.000 1.076 5214 M CA 2.243 57.531 55.300 -0.021 0.000 1.111 5214 M CB -1.696 30.900 32.600 -0.007 0.000 1.291 5214 M HN 0.685 nan 8.290 nan 0.000 0.417 5215 H N -0.059 118.942 119.070 -0.115 0.000 2.252 5215 H HA -0.135 3.981 4.556 -0.734 0.000 0.292 5215 H C 1.949 177.186 175.328 -0.150 0.000 1.082 5215 H CA 2.726 58.679 56.048 -0.158 0.000 1.229 5215 H CB -0.896 28.750 29.762 -0.193 0.000 1.353 5215 H HN 0.434 nan 8.280 nan 0.000 0.488 5216 G N -0.856 107.857 108.800 -0.145 0.000 2.469 5216 G HA2 -0.345 3.175 3.960 -0.734 0.000 0.220 5216 G HA3 -0.345 3.175 3.960 -0.734 0.000 0.220 5216 G C 1.971 176.744 174.900 -0.211 0.000 1.136 5216 G CA 1.320 46.298 45.100 -0.202 0.000 0.759 5216 G HN 0.549 nan 8.290 nan 0.000 0.562 5217 S N 0.134 115.743 115.700 -0.151 0.000 2.380 5217 S HA -0.071 3.959 4.470 -0.734 0.000 0.213 5217 S C 2.443 176.938 174.600 -0.174 0.000 1.037 5217 S CA 1.299 59.422 58.200 -0.128 0.000 1.034 5217 S CB -0.586 62.570 63.200 -0.074 0.000 1.022 5217 S HN 0.315 nan 8.310 nan 0.000 0.418 5218 L N 1.144 122.267 121.223 -0.167 0.000 2.011 5218 L HA -0.203 3.697 4.340 -0.734 0.000 0.225 5218 L C 2.585 179.334 176.870 -0.201 0.000 1.084 5218 L CA 1.918 56.666 54.840 -0.153 0.000 0.791 5218 L CB -1.153 40.848 42.059 -0.097 0.000 0.898 5218 L HN 0.277 nan 8.230 nan 0.000 0.440 5219 V N -0.487 119.207 119.914 -0.367 0.000 2.231 5219 V HA -0.355 3.324 4.120 -0.734 0.000 0.248 5219 V C 2.559 178.417 176.094 -0.392 0.000 1.054 5219 V CA 2.619 64.558 62.300 -0.601 0.000 1.015 5219 V CB -0.829 30.416 31.823 -0.962 0.000 0.638 5219 V HN 0.520 nan 8.190 nan 0.000 0.444 5220 T N -0.322 114.048 114.554 -0.308 0.000 2.803 5220 T HA -0.179 3.731 4.350 -0.734 0.000 0.269 5220 T C 1.897 176.518 174.700 -0.131 0.000 1.052 5220 T CA 1.781 63.766 62.100 -0.191 0.000 1.136 5220 T CB -0.272 68.504 68.868 -0.153 0.000 0.864 5220 T HN 0.513 nan 8.240 nan 0.000 0.467 5221 S N 1.241 116.853 115.700 -0.146 0.000 2.555 5221 S HA 0.012 4.042 4.470 -0.734 0.000 0.230 5221 S C 1.501 176.052 174.600 -0.082 0.000 0.978 5221 S CA 0.647 58.765 58.200 -0.136 0.000 0.934 5221 S CB -0.057 63.009 63.200 -0.225 0.000 0.766 5221 S HN 0.642 nan 8.310 nan 0.000 0.533 5222 S N 0.720 116.408 115.700 -0.021 0.000 2.740 5222 S HA 0.433 4.463 4.470 -0.734 0.000 0.244 5222 S C -0.160 174.532 174.600 0.153 0.000 1.101 5222 S CA -0.695 57.552 58.200 0.078 0.000 1.123 5222 S CB -0.357 62.940 63.200 0.161 0.000 1.012 5222 S HN 0.202 nan 8.310 nan 0.000 0.491 5223 L N 1.702 122.979 121.223 0.089 0.000 2.371 5223 L HA 0.509 4.409 4.340 -0.734 0.000 0.272 5223 L C 0.197 177.128 176.870 0.100 0.000 1.124 5223 L CA -0.822 54.091 54.840 0.122 0.000 0.816 5223 L CB 0.763 42.862 42.059 0.066 0.000 1.129 5223 L HN 0.343 nan 8.230 nan 0.000 0.448 5224 I N 2.925 123.562 120.570 0.112 0.000 2.396 5224 I HA 0.142 3.871 4.170 -0.734 0.000 0.289 5224 I C 0.878 177.034 176.117 0.065 0.000 1.056 5224 I CA -0.385 60.961 61.300 0.077 0.000 1.365 5224 I CB 0.396 38.437 38.000 0.069 0.000 1.407 5224 I HN 0.627 nan 8.210 nan 0.000 0.509 5225 R N 6.529 127.058 120.500 0.048 0.000 2.614 5225 R HA -0.097 3.802 4.340 -0.734 0.000 0.335 5225 R C -0.195 176.130 176.300 0.043 0.000 0.859 5225 R CA 0.992 57.116 56.100 0.041 0.000 1.123 5225 R CB 0.105 30.423 30.300 0.029 0.000 0.887 5225 R HN 0.723 nan 8.270 nan 0.000 0.407 5226 E N 2.155 122.385 120.200 0.050 0.000 3.085 5226 E HA 0.066 3.976 4.350 -0.734 0.000 0.179 5226 E C -1.142 175.491 176.600 0.054 0.000 0.951 5226 E CA -0.089 56.341 56.400 0.050 0.000 1.326 5226 E CB 1.295 31.030 29.700 0.060 0.000 1.043 5226 E HN 0.815 nan 8.360 nan 0.000 0.457 5227 T N -2.497 112.085 114.554 0.046 0.000 2.868 5227 T HA 0.396 4.306 4.350 -0.734 0.000 0.306 5227 T C 0.448 175.158 174.700 0.018 0.000 1.224 5227 T CA -0.696 61.427 62.100 0.039 0.000 1.012 5227 T CB 1.686 70.588 68.868 0.057 0.000 1.221 5227 T HN 0.003 nan 8.240 nan 0.000 0.499 5228 T N -1.116 113.439 114.554 0.002 0.000 2.681 5228 T HA 0.521 4.431 4.350 -0.734 0.000 0.333 5228 T C 1.597 176.294 174.700 -0.006 0.000 1.049 5228 T CA 0.652 62.748 62.100 -0.006 0.000 1.002 5228 T CB -0.424 68.433 68.868 -0.018 0.000 1.161 5228 T HN 1.090 nan 8.240 nan 0.000 0.519 5229 E N -0.742 119.452 120.200 -0.009 0.000 2.250 5229 E HA 0.119 4.028 4.350 -0.734 0.000 0.192 5229 E C 1.684 178.274 176.600 -0.016 0.000 0.986 5229 E CA 0.867 57.263 56.400 -0.008 0.000 0.849 5229 E CB -0.783 28.913 29.700 -0.006 0.000 0.797 5229 E HN 0.924 nan 8.360 nan 0.000 0.482 5230 T N 0.007 114.545 114.554 -0.026 0.000 3.243 5230 T HA 0.451 4.361 4.350 -0.734 0.000 0.245 5230 T C -0.315 174.347 174.700 -0.063 0.000 1.263 5230 T CA 0.027 62.105 62.100 -0.037 0.000 1.228 5230 T CB -0.943 67.905 68.868 -0.034 0.000 1.097 5230 T HN 0.537 nan 8.240 nan 0.000 0.628 5231 E N -0.735 119.425 120.200 -0.067 0.000 2.552 5231 E HA 0.328 4.237 4.350 -0.734 0.000 0.297 5231 E C -1.035 175.525 176.600 -0.067 0.000 1.038 5231 E CA -1.101 55.225 56.400 -0.123 0.000 0.856 5231 E CB 0.152 29.751 29.700 -0.168 0.000 1.222 5231 E HN 0.217 nan 8.360 nan 0.000 0.422 5232 S N 0.994 116.658 115.700 -0.059 0.000 2.593 5232 S HA 0.081 4.111 4.470 -0.734 0.000 0.303 5232 S C 1.249 175.928 174.600 0.131 0.000 1.267 5232 S CA 0.128 58.376 58.200 0.080 0.000 1.047 5232 S CB 1.020 64.364 63.200 0.239 0.000 0.777 5232 S HN 0.819 nan 8.310 nan 0.000 0.498 5233 A N 2.527 125.410 122.820 0.105 0.000 2.066 5233 A HA -0.059 3.821 4.320 -0.734 0.000 0.218 5233 A C 1.964 179.631 177.584 0.139 0.000 1.157 5233 A CA 1.080 53.176 52.037 0.097 0.000 0.670 5233 A CB -0.705 18.327 19.000 0.054 0.000 0.804 5233 A HN 0.769 nan 8.150 nan 0.000 0.453 5234 N N -0.791 118.008 118.700 0.166 0.000 2.223 5234 N HA -0.152 4.147 4.740 -0.734 0.000 0.185 5234 N C 1.164 176.765 175.510 0.151 0.000 1.016 5234 N CA 1.323 54.455 53.050 0.136 0.000 0.863 5234 N CB -0.578 37.963 38.487 0.091 0.000 0.983 5234 N HN 0.601 nan 8.380 nan 0.000 0.429 5235 Y N 0.530 120.870 120.300 0.067 0.000 2.403 5235 Y HA -0.013 4.097 4.550 -0.734 0.000 0.291 5235 Y C 2.353 178.301 175.900 0.080 0.000 1.143 5235 Y CA 0.890 59.032 58.100 0.069 0.000 1.257 5235 Y CB -0.786 37.700 38.460 0.042 0.000 0.984 5235 Y HN 0.083 nan 8.280 nan 0.000 0.550 5236 G N -1.824 107.104 108.800 0.214 0.000 2.564 5236 G HA2 -0.249 3.271 3.960 -0.734 0.000 0.216 5236 G HA3 -0.249 3.271 3.960 -0.734 0.000 0.216 5236 G C -0.016 174.982 174.900 0.163 0.000 1.124 5236 G CA 0.327 45.522 45.100 0.158 0.000 0.764 5236 G HN 0.396 nan 8.290 nan 0.000 0.550 5237 Y N 0.116 120.445 120.300 0.047 0.000 2.468 5237 Y HA 0.638 4.748 4.550 -0.733 0.000 0.342 5237 Y C -0.317 175.598 175.900 0.026 0.000 1.021 5237 Y CA -1.308 56.816 58.100 0.041 0.000 1.079 5237 Y CB 1.542 40.027 38.460 0.042 0.000 1.226 5237 Y HN -0.198 nan 8.280 nan 0.000 0.460 5238 K N 6.278 126.218 120.400 -0.766 0.000 2.397 5238 K HA 0.235 4.114 4.320 -0.734 0.000 0.253 5238 K C -1.307 174.993 176.600 -0.500 0.000 0.932 5238 K CA -0.909 55.134 56.287 -0.407 0.000 0.795 5238 K CB 1.689 34.033 32.500 -0.259 0.000 1.159 5238 K HN 0.767 nan 8.250 nan 0.000 0.424 5239 F N 1.906 121.770 119.950 -0.143 0.000 2.580 5239 F HA -0.084 4.003 4.527 -0.734 0.000 0.398 5239 F C 1.299 177.071 175.800 -0.047 0.000 1.023 5239 F CA 1.510 59.539 58.000 0.049 0.000 1.188 5239 F CB 0.285 39.320 39.000 0.057 0.000 1.005 5239 F HN 0.958 nan 8.300 nan 0.000 0.546 5240 G N 3.867 112.558 108.800 -0.181 0.000 2.184 5240 G HA2 -0.375 3.144 3.960 -0.734 0.000 0.264 5240 G HA3 -0.375 3.144 3.960 -0.734 0.000 0.264 5240 G C 0.308 175.077 174.900 -0.219 0.000 0.975 5240 G CA 0.329 45.204 45.100 -0.375 0.000 0.642 5240 G HN 1.037 nan 8.290 nan 0.000 0.536 5241 Q N 0.480 120.116 119.800 -0.273 0.000 2.375 5241 Q HA 0.109 4.009 4.340 -0.734 0.000 0.344 5241 Q C 1.327 177.252 176.000 -0.124 0.000 1.169 5241 Q CA 1.035 56.684 55.803 -0.256 0.000 1.035 5241 Q CB 0.580 29.056 28.738 -0.437 0.000 1.222 5241 Q HN 0.355 nan 8.270 nan 0.000 0.412 5242 E N 2.337 122.478 120.200 -0.100 0.000 2.012 5242 E HA -0.230 3.679 4.350 -0.734 0.000 0.211 5242 E C 0.474 177.061 176.600 -0.022 0.000 1.029 5242 E CA 2.166 58.532 56.400 -0.057 0.000 0.867 5242 E CB -0.367 29.302 29.700 -0.053 0.000 0.790 5242 E HN 0.886 nan 8.360 nan 0.000 0.482 5243 E N 0.912 121.104 120.200 -0.013 0.000 2.330 5243 E HA 0.264 4.173 4.350 -0.734 0.000 0.256 5243 E C 0.085 176.715 176.600 0.049 0.000 1.146 5243 E CA -0.827 55.578 56.400 0.008 0.000 0.945 5243 E CB 0.648 30.345 29.700 -0.004 0.000 1.182 5243 E HN -0.171 nan 8.360 nan 0.000 0.480 5244 E N -0.388 119.834 120.200 0.037 0.000 2.461 5244 E HA -0.083 3.826 4.350 -0.734 0.000 0.263 5244 E C -0.071 176.600 176.600 0.118 0.000 1.143 5244 E CA 0.747 57.181 56.400 0.056 0.000 0.994 5244 E CB 0.768 30.415 29.700 -0.088 0.000 0.973 5244 E HN 0.578 nan 8.360 nan 0.000 0.457 5245 T N 2.159 116.854 114.554 0.235 0.000 3.132 5245 T HA 0.239 4.148 4.350 -0.734 0.000 0.274 5245 T C -1.398 173.501 174.700 0.332 0.000 1.011 5245 T CA 0.116 62.402 62.100 0.310 0.000 0.899 5245 T CB -0.429 68.726 68.868 0.478 0.000 1.089 5245 T HN 0.403 nan 8.240 nan 0.000 0.543 5246 Y N -1.337 119.004 120.300 0.068 0.000 2.641 5246 Y HA 0.538 4.647 4.550 -0.734 0.000 0.333 5246 Y C -1.124 174.804 175.900 0.046 0.000 1.174 5246 Y CA -1.826 56.301 58.100 0.044 0.000 1.057 5246 Y CB 0.256 38.728 38.460 0.020 0.000 1.322 5246 Y HN -0.275 nan 8.280 nan 0.000 0.457 5247 N N 3.047 121.736 118.700 -0.017 0.000 2.508 5247 N HA 0.193 4.492 4.740 -0.734 0.000 0.253 5247 N C 0.662 176.139 175.510 -0.054 0.000 1.145 5247 N CA 0.103 53.106 53.050 -0.079 0.000 0.973 5247 N CB 0.225 38.727 38.487 0.023 0.000 1.305 5247 N HN 0.860 nan 8.380 nan 0.000 0.506 5248 I N 1.503 121.915 120.570 -0.263 0.000 2.953 5248 I HA -0.201 3.528 4.170 -0.734 0.000 0.271 5248 I C 1.454 177.640 176.117 0.114 0.000 1.286 5248 I CA 0.472 61.746 61.300 -0.044 0.000 1.449 5248 I CB 0.047 37.979 38.000 -0.114 0.000 1.086 5248 I HN 0.260 nan 8.210 nan 0.000 0.483 5249 V N 0.413 120.378 119.914 0.084 0.000 3.085 5249 V HA 0.126 3.806 4.120 -0.734 0.000 0.245 5249 V C 2.528 178.705 176.094 0.138 0.000 1.114 5249 V CA 1.232 63.613 62.300 0.135 0.000 1.108 5249 V CB 0.093 31.966 31.823 0.083 0.000 0.798 5249 V HN 0.431 nan 8.190 nan 0.000 0.471 5250 A N 0.339 123.226 122.820 0.113 0.000 1.970 5250 A HA 0.114 3.994 4.320 -0.734 0.000 0.216 5250 A C 2.349 180.027 177.584 0.156 0.000 1.170 5250 A CA 1.581 53.682 52.037 0.106 0.000 0.645 5250 A CB -0.463 18.586 19.000 0.082 0.000 0.816 5250 A HN 0.490 nan 8.150 nan 0.000 0.447 5251 A N -0.258 122.682 122.820 0.201 0.000 1.841 5251 A HA -0.223 3.656 4.320 -0.734 0.000 0.216 5251 A C 2.082 179.875 177.584 0.349 0.000 1.199 5251 A CA 2.147 54.336 52.037 0.253 0.000 0.621 5251 A CB -1.057 18.123 19.000 0.299 0.000 0.835 5251 A HN 0.720 nan 8.150 nan 0.000 0.445 5252 H N -0.027 119.186 119.070 0.238 0.000 2.456 5252 H HA -0.012 4.103 4.556 -0.734 0.000 0.296 5252 H C 2.024 177.457 175.328 0.174 0.000 1.079 5252 H CA 1.514 57.705 56.048 0.238 0.000 1.322 5252 H CB -0.757 29.115 29.762 0.182 0.000 1.388 5252 H HN 0.332 nan 8.280 nan 0.000 0.538 5253 G N -0.843 107.965 108.800 0.013 0.000 2.450 5253 G HA2 -0.327 3.193 3.960 -0.734 0.000 0.220 5253 G HA3 -0.327 3.193 3.960 -0.734 0.000 0.220 5253 G C 1.680 176.587 174.900 0.011 0.000 1.130 5253 G CA 1.064 46.116 45.100 -0.079 0.000 0.760 5253 G HN 0.591 nan 8.290 nan 0.000 0.557 5254 Y N -0.215 120.088 120.300 0.006 0.000 2.205 5254 Y HA 0.231 4.340 4.550 -0.735 0.000 0.292 5254 Y C 2.261 178.205 175.900 0.074 0.000 1.119 5254 Y CA 0.777 58.899 58.100 0.037 0.000 1.117 5254 Y CB -0.512 37.994 38.460 0.077 0.000 1.037 5254 Y HN 0.081 nan 8.280 nan 0.000 0.510 5255 F N 1.458 121.532 119.950 0.206 0.000 2.154 5255 F HA -0.086 4.002 4.527 -0.733 0.000 0.301 5255 F C 2.267 178.011 175.800 -0.094 0.000 1.087 5255 F CA 1.838 59.859 58.000 0.035 0.000 1.274 5255 F CB -0.959 38.164 39.000 0.204 0.000 1.009 5255 F HN 0.165 nan 8.300 nan 0.000 0.485 5256 G N -0.173 108.511 108.800 -0.194 0.000 2.418 5256 G HA2 -0.279 3.240 3.960 -0.734 0.000 0.217 5256 G HA3 -0.279 3.240 3.960 -0.734 0.000 0.217 5256 G C 1.869 176.549 174.900 -0.367 0.000 1.158 5256 G CA 0.731 45.618 45.100 -0.353 0.000 0.771 5256 G HN 0.344 nan 8.290 nan 0.000 0.545 5257 R N -0.723 119.597 120.500 -0.300 0.000 2.189 5257 R HA 0.126 4.025 4.340 -0.734 0.000 0.218 5257 R C 2.350 178.481 176.300 -0.282 0.000 1.074 5257 R CA 0.386 56.339 56.100 -0.244 0.000 0.991 5257 R CB -0.286 29.903 30.300 -0.186 0.000 0.883 5257 R HN 0.361 nan 8.270 nan 0.000 0.457 5258 L N 0.543 121.518 121.223 -0.414 0.000 2.017 5258 L HA -0.124 3.776 4.340 -0.734 0.000 0.208 5258 L C 1.615 178.314 176.870 -0.283 0.000 1.073 5258 L CA 1.890 56.500 54.840 -0.384 0.000 0.745 5258 L CB -0.038 41.772 42.059 -0.414 0.000 0.894 5258 L HN 0.095 nan 8.230 nan 0.000 0.432 5259 I N -2.456 117.873 120.570 -0.402 0.000 3.098 5259 I HA 0.141 3.871 4.170 -0.734 0.000 0.241 5259 I C -0.476 175.544 176.117 -0.161 0.000 1.081 5259 I CA 0.350 61.443 61.300 -0.345 0.000 1.487 5259 I CB 0.193 37.825 38.000 -0.615 0.000 1.366 5259 I HN 0.172 nan 8.210 nan 0.000 0.463 5260 F N -0.829 118.946 119.950 -0.293 0.000 2.689 5260 F HA 0.232 4.319 4.527 -0.733 0.000 0.314 5260 F C 0.306 175.943 175.800 -0.271 0.000 1.061 5260 F CA -1.315 56.547 58.000 -0.230 0.000 1.013 5260 F CB 0.032 38.952 39.000 -0.134 0.000 1.256 5260 F HN -0.007 nan 8.300 nan 0.000 0.480 5261 Q N 1.798 121.563 119.800 -0.059 0.000 2.096 5261 Q HA -0.291 3.609 4.340 -0.734 0.000 0.218 5261 Q C 1.396 177.273 176.000 -0.206 0.000 1.069 5261 Q CA 3.191 58.833 55.803 -0.268 0.000 0.927 5261 Q CB -0.864 27.529 28.738 -0.576 0.000 1.064 5261 Q HN 0.915 nan 8.270 nan 0.000 0.445 5262 Y N -0.326 120.115 120.300 0.237 0.000 2.574 5262 Y HA 0.091 4.200 4.550 -0.735 0.000 0.294 5262 Y C 1.823 177.689 175.900 -0.055 0.000 1.142 5262 Y CA 0.669 58.852 58.100 0.139 0.000 1.314 5262 Y CB -0.272 38.306 38.460 0.197 0.000 0.991 5262 Y HN 0.185 nan 8.280 nan 0.000 0.555 5263 A N -0.496 122.131 122.820 -0.321 0.000 2.503 5263 A HA 0.414 4.293 4.320 -0.734 0.000 0.263 5263 A C 0.760 177.973 177.584 -0.619 0.000 1.360 5263 A CA 0.417 51.981 52.037 -0.789 0.000 0.969 5263 A CB -0.544 17.260 19.000 -1.993 0.000 1.000 5263 A HN 0.174 nan 8.150 nan 0.000 0.530 5264 S N -1.577 113.895 115.700 -0.380 0.000 2.671 5264 S HA 0.807 4.836 4.470 -0.734 0.000 0.277 5264 S C -1.130 173.295 174.600 -0.292 0.000 1.165 5264 S CA -0.531 57.548 58.200 -0.202 0.000 0.822 5264 S CB 0.684 63.892 63.200 0.013 0.000 1.150 5264 S HN 0.129 nan 8.310 nan 0.000 0.479 5265 F N 2.211 122.197 119.950 0.060 0.000 2.403 5265 F HA 0.588 4.675 4.527 -0.734 0.000 0.326 5265 F C 1.620 177.219 175.800 -0.335 0.000 1.099 5265 F CA -0.095 57.852 58.000 -0.089 0.000 1.036 5265 F CB 1.161 40.163 39.000 0.003 0.000 1.336 5265 F HN 0.819 nan 8.300 nan 0.000 0.497 5266 N N -0.578 118.163 118.700 0.068 0.000 1.844 5266 N HA -0.070 4.230 4.740 -0.734 0.000 0.232 5266 N C -1.208 174.347 175.510 0.076 0.000 1.452 5266 N CA -0.049 52.963 53.050 -0.063 0.000 0.701 5266 N CB -0.282 38.027 38.487 -0.296 0.000 1.038 5266 N HN 0.459 nan 8.380 nan 0.000 0.573 5267 N N 1.424 120.210 118.700 0.142 0.000 2.621 5267 N HA 0.280 4.580 4.740 -0.734 0.000 0.237 5267 N C 0.221 175.785 175.510 0.091 0.000 0.997 5267 N CA -0.056 53.062 53.050 0.113 0.000 0.918 5267 N CB 1.561 40.126 38.487 0.130 0.000 1.122 5267 N HN 0.025 nan 8.380 nan 0.000 0.510 5268 S N 2.863 118.618 115.700 0.092 0.000 2.389 5268 S HA -0.189 3.840 4.470 -0.734 0.000 0.231 5268 S C 1.742 176.388 174.600 0.076 0.000 1.052 5268 S CA 1.412 59.679 58.200 0.112 0.000 1.053 5268 S CB 0.088 63.310 63.200 0.037 0.000 0.886 5268 S HN 0.629 nan 8.310 nan 0.000 0.456 5269 R N 0.204 120.729 120.500 0.042 0.000 2.066 5269 R HA -0.009 3.891 4.340 -0.734 0.000 0.232 5269 R C 2.711 179.080 176.300 0.115 0.000 1.131 5269 R CA 1.465 57.603 56.100 0.063 0.000 0.955 5269 R CB -0.664 29.665 30.300 0.049 0.000 0.851 5269 R HN 0.322 nan 8.270 nan 0.000 0.432 5270 S N 0.954 116.713 115.700 0.097 0.000 2.402 5270 S HA -0.080 3.949 4.470 -0.734 0.000 0.229 5270 S C 1.843 176.399 174.600 -0.074 0.000 1.021 5270 S CA 0.797 59.084 58.200 0.145 0.000 0.974 5270 S CB -0.051 63.284 63.200 0.225 0.000 0.800 5270 S HN 0.243 nan 8.310 nan 0.000 0.484 5271 L N 0.935 121.908 121.223 -0.416 0.000 2.068 5271 L HA 0.145 4.044 4.340 -0.734 0.000 0.204 5271 L C 1.919 178.520 176.870 -0.447 0.000 1.076 5271 L CA 2.134 56.324 54.840 -1.084 0.000 0.753 5271 L CB -1.146 40.446 42.059 -0.779 0.000 0.910 5271 L HN 0.244 nan 8.230 nan 0.000 0.439 5272 H N -1.383 117.534 119.070 -0.256 0.000 2.456 5272 H HA -0.109 4.006 4.556 -0.735 0.000 0.296 5272 H C 1.671 176.974 175.328 -0.041 0.000 1.079 5272 H CA 1.993 57.935 56.048 -0.177 0.000 1.322 5272 H CB -0.343 29.360 29.762 -0.097 0.000 1.388 5272 H HN 0.509 nan 8.280 nan 0.000 0.538 5273 F N -0.139 119.836 119.950 0.042 0.000 2.163 5273 F HA -0.126 3.960 4.527 -0.734 0.000 0.297 5273 F C 2.021 177.879 175.800 0.097 0.000 1.094 5273 F CA 0.642 58.687 58.000 0.076 0.000 1.290 5273 F CB -0.622 38.441 39.000 0.104 0.000 1.017 5273 F HN 0.131 nan 8.300 nan 0.000 0.483 5274 F N 0.776 120.586 119.950 -0.233 0.000 2.408 5274 F HA -0.122 3.967 4.527 -0.730 0.000 0.300 5274 F C 1.580 177.248 175.800 -0.221 0.000 1.090 5274 F CA 1.291 59.148 58.000 -0.239 0.000 1.427 5274 F CB -0.399 38.572 39.000 -0.048 0.000 1.070 5274 F HN 0.024 nan 8.300 nan 0.000 0.549 5275 L N -0.595 120.455 121.223 -0.289 0.000 2.095 5275 L HA -0.013 3.886 4.340 -0.734 0.000 0.204 5275 L C 2.574 179.291 176.870 -0.255 0.000 1.080 5275 L CA 1.048 55.700 54.840 -0.312 0.000 0.759 5275 L CB -0.980 40.877 42.059 -0.336 0.000 0.914 5275 L HN 0.170 nan 8.230 nan 0.000 0.439 5276 A N -0.594 122.075 122.820 -0.252 0.000 2.178 5276 A HA 0.256 4.136 4.320 -0.734 0.000 0.211 5276 A C 2.246 179.636 177.584 -0.323 0.000 1.157 5276 A CA 1.003 52.912 52.037 -0.214 0.000 0.780 5276 A CB -0.189 18.755 19.000 -0.094 0.000 0.828 5276 A HN 0.341 nan 8.150 nan 0.000 0.476 5277 A N -1.169 121.360 122.820 -0.485 0.000 1.956 5277 A HA 0.071 3.951 4.320 -0.734 0.000 0.212 5277 A C 1.949 179.351 177.584 -0.304 0.000 1.188 5277 A CA 0.724 52.472 52.037 -0.481 0.000 0.675 5277 A CB -0.723 17.802 19.000 -0.791 0.000 0.845 5277 A HN 0.757 nan 8.150 nan 0.000 0.455 5278 W N 2.374 123.392 121.300 -0.470 0.000 2.329 5278 W HA -0.136 4.083 4.660 -0.734 0.000 0.324 5278 W C -1.122 175.263 176.519 -0.224 0.000 1.222 5278 W CA 2.845 59.986 57.345 -0.340 0.000 1.270 5278 W CB -1.247 27.925 29.460 -0.480 0.000 1.167 5278 W HN 0.288 nan 8.180 nan 0.000 0.467 5279 P HA -0.151 nan 4.420 nan 0.000 0.216 5279 P C 1.962 179.088 177.300 -0.290 0.000 1.153 5279 P CA 1.698 64.744 63.100 -0.090 0.000 0.848 5279 P CB -0.229 31.464 31.700 -0.013 0.000 0.787 5280 V N 0.558 120.237 119.914 -0.391 0.000 2.295 5280 V HA -0.198 3.482 4.120 -0.734 0.000 0.246 5280 V C 2.898 178.520 176.094 -0.786 0.000 1.049 5280 V CA 1.784 63.668 62.300 -0.693 0.000 1.024 5280 V CB -1.205 30.113 31.823 -0.841 0.000 0.648 5280 V HN -0.071 nan 8.190 nan 0.000 0.447 5281 V N 0.812 120.427 119.914 -0.497 0.000 2.332 5281 V HA -0.211 3.469 4.120 -0.734 0.000 0.248 5281 V C 2.591 178.597 176.094 -0.147 0.000 1.055 5281 V CA 2.274 64.466 62.300 -0.179 0.000 1.038 5281 V CB -1.376 30.396 31.823 -0.085 0.000 0.651 5281 V HN 0.627 nan 8.190 nan 0.000 0.450 5282 G N -0.611 108.050 108.800 -0.231 0.000 2.404 5282 G HA2 -0.184 3.336 3.960 -0.734 0.000 0.215 5282 G HA3 -0.184 3.336 3.960 -0.734 0.000 0.215 5282 G C 1.666 176.527 174.900 -0.065 0.000 1.174 5282 G CA 1.093 46.123 45.100 -0.118 0.000 0.780 5282 G HN 0.378 nan 8.290 nan 0.000 0.537 5283 V N -0.414 119.394 119.914 -0.176 0.000 2.515 5283 V HA -0.099 3.581 4.120 -0.734 0.000 0.250 5283 V C 2.515 178.554 176.094 -0.093 0.000 1.058 5283 V CA 1.054 63.258 62.300 -0.160 0.000 1.064 5283 V CB -0.447 31.242 31.823 -0.224 0.000 0.675 5283 V HN 0.449 nan 8.190 nan 0.000 0.461 5284 W N 0.145 121.291 121.300 -0.256 0.000 2.332 5284 W HA -0.170 4.039 4.660 -0.751 0.000 0.321 5284 W C 2.472 178.777 176.519 -0.356 0.000 1.219 5284 W CA 1.238 58.379 57.345 -0.340 0.000 1.277 5284 W CB -1.523 27.646 29.460 -0.484 0.000 1.161 5284 W HN 0.282 nan 8.180 nan 0.000 0.476 5285 F N 1.090 121.002 119.950 -0.063 0.000 2.063 5285 F HA -0.403 3.685 4.527 -0.731 0.000 0.298 5285 F C 2.599 178.261 175.800 -0.231 0.000 1.105 5285 F CA 2.810 60.608 58.000 -0.337 0.000 1.215 5285 F CB -1.112 37.698 39.000 -0.317 0.000 0.972 5285 F HN -0.140 nan 8.300 nan 0.000 0.483 5286 T N -1.164 113.429 114.554 0.065 0.000 2.737 5286 T HA -0.259 3.651 4.350 -0.734 0.000 0.269 5286 T C 1.988 176.692 174.700 0.007 0.000 1.040 5286 T CA 1.070 63.181 62.100 0.019 0.000 1.142 5286 T CB -0.974 67.841 68.868 -0.088 0.000 0.861 5286 T HN 0.344 nan 8.240 nan 0.000 0.456 5287 A N 1.504 124.320 122.820 -0.008 0.000 1.933 5287 A HA 0.153 4.032 4.320 -0.734 0.000 0.218 5287 A C 2.357 179.957 177.584 0.026 0.000 1.175 5287 A CA 1.075 53.115 52.037 0.006 0.000 0.628 5287 A CB -0.830 18.184 19.000 0.024 0.000 0.814 5287 A HN 0.541 nan 8.150 nan 0.000 0.444 5288 L N -0.964 120.248 121.223 -0.019 0.000 2.395 5288 L HA -0.021 3.878 4.340 -0.734 0.000 0.218 5288 L C 2.592 179.611 176.870 0.248 0.000 1.130 5288 L CA 0.580 55.428 54.840 0.013 0.000 0.826 5288 L CB -0.436 41.478 42.059 -0.242 0.000 0.941 5288 L HN 0.506 nan 8.230 nan 0.000 0.451 5289 G N 0.244 109.188 108.800 0.240 0.000 2.404 5289 G HA2 -0.139 3.381 3.960 -0.734 0.000 0.213 5289 G HA3 -0.139 3.381 3.960 -0.734 0.000 0.213 5289 G C 1.477 176.414 174.900 0.061 0.000 1.189 5289 G CA 0.062 45.291 45.100 0.215 0.000 0.796 5289 G HN 0.070 nan 8.290 nan 0.000 0.532 5290 I N 1.812 122.411 120.570 0.049 0.000 2.208 5290 I HA -0.114 3.616 4.170 -0.734 0.000 0.245 5290 I C 2.789 179.014 176.117 0.181 0.000 1.097 5290 I CA 1.199 62.541 61.300 0.069 0.000 1.363 5290 I CB -1.054 36.932 38.000 -0.023 0.000 1.051 5290 I HN 0.088 nan 8.210 nan 0.000 0.413 5291 S N -0.090 115.711 115.700 0.169 0.000 2.423 5291 S HA -0.104 3.926 4.470 -0.734 0.000 0.231 5291 S C 2.008 176.770 174.600 0.269 0.000 1.014 5291 S CA 1.324 59.649 58.200 0.208 0.000 0.965 5291 S CB -0.089 63.224 63.200 0.189 0.000 0.785 5291 S HN 0.477 nan 8.310 nan 0.000 0.495 5292 T N 1.641 116.349 114.554 0.256 0.000 2.852 5292 T HA 0.197 4.106 4.350 -0.734 0.000 0.256 5292 T C 1.533 176.350 174.700 0.195 0.000 1.038 5292 T CA 0.669 62.942 62.100 0.288 0.000 1.141 5292 T CB -0.163 68.884 68.868 0.298 0.000 0.869 5292 T HN 0.285 nan 8.240 nan 0.000 0.439 5293 M N 1.043 120.678 119.600 0.058 0.000 2.686 5293 M HA 0.150 4.190 4.480 -0.734 0.000 0.246 5293 M C 2.114 178.338 176.300 -0.127 0.000 1.096 5293 M CA 0.063 55.295 55.300 -0.113 0.000 1.076 5293 M CB -0.086 32.327 32.600 -0.310 0.000 1.504 5293 M HN 0.219 nan 8.290 nan 0.000 0.524 5294 A N -0.547 122.285 122.820 0.020 0.000 2.067 5294 A HA 0.022 3.901 4.320 -0.734 0.000 0.217 5294 A C 1.156 178.440 177.584 -0.501 0.000 1.156 5294 A CA 0.841 52.775 52.037 -0.172 0.000 0.683 5294 A CB -0.318 18.523 19.000 -0.264 0.000 0.808 5294 A HN 0.505 nan 8.150 nan 0.000 0.455 5295 F N -0.352 119.636 119.950 0.063 0.000 2.708 5295 F HA 0.256 4.342 4.527 -0.735 0.000 0.300 5295 F C 0.473 176.307 175.800 0.057 0.000 1.118 5295 F CA -0.257 57.770 58.000 0.045 0.000 1.307 5295 F CB -0.528 38.500 39.000 0.046 0.000 0.986 5295 F HN 0.276 nan 8.300 nan 0.000 0.522 5296 N N 1.067 119.877 118.700 0.184 0.000 2.747 5296 N HA -0.216 4.084 4.740 -0.734 0.000 0.249 5296 N C -0.385 175.218 175.510 0.155 0.000 1.107 5296 N CA 0.019 53.182 53.050 0.188 0.000 0.707 5296 N CB -1.065 37.500 38.487 0.130 0.000 1.054 5296 N HN 0.298 nan 8.380 nan 0.000 0.555 5297 L N 1.193 122.510 121.223 0.156 0.000 2.287 5297 L HA 0.334 4.233 4.340 -0.734 0.000 0.280 5297 L C -0.047 176.907 176.870 0.140 0.000 1.055 5297 L CA -0.440 54.469 54.840 0.115 0.000 0.863 5297 L CB 0.275 42.402 42.059 0.113 0.000 1.245 5297 L HN 0.114 nan 8.230 nan 0.000 0.432 5298 N N 2.072 120.849 118.700 0.129 0.000 2.431 5298 N HA 0.408 4.708 4.740 -0.734 0.000 0.289 5298 N C 0.491 176.074 175.510 0.121 0.000 1.277 5298 N CA -0.145 53.010 53.050 0.174 0.000 0.972 5298 N CB 0.286 38.863 38.487 0.150 0.000 1.143 5298 N HN 0.511 nan 8.380 nan 0.000 0.578 5299 G N -0.945 107.917 108.800 0.104 0.000 2.611 5299 G HA2 0.266 3.786 3.960 -0.734 0.000 0.273 5299 G HA3 0.266 3.786 3.960 -0.734 0.000 0.273 5299 G C -0.402 174.351 174.900 -0.246 0.000 1.305 5299 G CA -0.523 44.518 45.100 -0.098 0.000 1.010 5299 G HN 0.337 nan 8.290 nan 0.000 0.509 5300 F N -0.124 119.692 119.950 -0.223 0.000 2.545 5300 F HA 0.112 4.200 4.527 -0.732 0.000 0.348 5300 F C 0.984 176.455 175.800 -0.548 0.000 1.163 5300 F CA 0.014 57.745 58.000 -0.449 0.000 1.331 5300 F CB 0.713 39.389 39.000 -0.541 0.000 1.138 5300 F HN 0.275 nan 8.300 nan 0.000 0.602 5301 N N 2.946 121.349 118.700 -0.494 0.000 2.540 5301 N HA 0.217 4.517 4.740 -0.734 0.000 0.275 5301 N C -1.034 174.200 175.510 -0.461 0.000 1.053 5301 N CA -0.426 52.404 53.050 -0.366 0.000 0.876 5301 N CB 0.360 38.757 38.487 -0.150 0.000 1.284 5301 N HN 0.472 nan 8.380 nan 0.000 0.518 5302 F N 0.804 120.805 119.950 0.084 0.000 2.791 5302 F HA 0.347 4.434 4.527 -0.734 0.000 0.308 5302 F C 0.592 176.434 175.800 0.069 0.000 1.138 5302 F CA -0.871 57.162 58.000 0.055 0.000 1.294 5302 F CB 0.329 39.348 39.000 0.033 0.000 0.975 5302 F HN 0.161 nan 8.300 nan 0.000 0.512 5303 N N 1.102 119.918 118.700 0.193 0.000 2.452 5303 N HA 0.001 4.300 4.740 -0.734 0.000 0.266 5303 N C -0.194 175.499 175.510 0.305 0.000 1.209 5303 N CA 0.529 53.712 53.050 0.223 0.000 0.929 5303 N CB 0.011 38.602 38.487 0.173 0.000 1.063 5303 N HN 0.389 nan 8.380 nan 0.000 0.472 5304 H N -1.202 117.897 119.070 0.049 0.000 2.880 5304 H HA -0.142 3.973 4.556 -0.734 0.000 0.304 5304 H C 0.045 175.396 175.328 0.039 0.000 1.259 5304 H CA 0.674 56.741 56.048 0.031 0.000 1.153 5304 H CB -1.554 28.220 29.762 0.020 0.000 1.395 5304 H HN 0.408 nan 8.280 nan 0.000 0.420 5305 S N -0.862 114.912 115.700 0.123 0.000 2.397 5305 S HA 0.417 4.447 4.470 -0.734 0.000 0.261 5305 S C 0.852 175.467 174.600 0.024 0.000 1.151 5305 S CA -0.387 57.864 58.200 0.085 0.000 1.022 5305 S CB 0.627 63.884 63.200 0.094 0.000 1.187 5305 S HN 1.035 nan 8.310 nan 0.000 0.473 5306 V N 0.276 120.187 119.914 -0.005 0.000 5.571 5306 V HA -0.187 3.492 4.120 -0.734 0.000 0.179 5306 V C -0.142 175.934 176.094 -0.029 0.000 0.722 5306 V CA 0.294 62.578 62.300 -0.027 0.000 0.545 5306 V CB -1.906 29.890 31.823 -0.044 0.000 0.179 5306 V HN 0.560 nan 8.190 nan 0.000 0.421 5307 I N 2.466 123.028 120.570 -0.013 0.000 2.499 5307 I HA 0.545 4.275 4.170 -0.734 0.000 0.296 5307 I C 0.918 177.024 176.117 -0.018 0.000 0.992 5307 I CA -0.339 60.952 61.300 -0.014 0.000 1.297 5307 I CB 1.330 39.336 38.000 0.010 0.000 1.410 5307 I HN 0.851 nan 8.210 nan 0.000 0.507 5308 D N 5.498 125.884 120.400 -0.022 0.000 2.478 5308 D HA 0.174 4.373 4.640 -0.734 0.000 0.274 5308 D C 0.909 177.201 176.300 -0.013 0.000 1.234 5308 D CA 0.160 54.148 54.000 -0.021 0.000 1.069 5308 D CB 0.975 41.760 40.800 -0.026 0.000 1.113 5308 D HN 0.593 nan 8.370 nan 0.000 0.571 5309 A N -0.084 122.728 122.820 -0.013 0.000 1.908 5309 A HA -0.221 3.658 4.320 -0.734 0.000 0.218 5309 A C 2.158 179.738 177.584 -0.007 0.000 1.181 5309 A CA 2.349 54.381 52.037 -0.009 0.000 0.627 5309 A CB -0.749 18.245 19.000 -0.010 0.000 0.818 5309 A HN 0.677 nan 8.150 nan 0.000 0.445 5310 K N -2.221 118.174 120.400 -0.008 0.000 2.243 5310 K HA 0.161 4.040 4.320 -0.734 0.000 0.201 5310 K C 1.043 177.642 176.600 -0.002 0.000 1.051 5310 K CA 1.021 57.305 56.287 -0.005 0.000 0.970 5310 K CB -0.011 32.485 32.500 -0.007 0.000 0.755 5310 K HN 0.670 nan 8.250 nan 0.000 0.465 5311 G N 0.434 109.232 108.800 -0.002 0.000 2.273 5311 G HA2 -0.154 3.365 3.960 -0.734 0.000 0.162 5311 G HA3 -0.154 3.365 3.960 -0.734 0.000 0.162 5311 G C -0.763 174.139 174.900 0.002 0.000 1.006 5311 G CA -0.559 44.544 45.100 0.004 0.000 0.704 5311 G HN 0.188 nan 8.290 nan 0.000 0.487 5312 N N 0.917 119.611 118.700 -0.010 0.000 2.492 5312 N HA 0.316 4.616 4.740 -0.734 0.000 0.262 5312 N C 0.592 176.080 175.510 -0.038 0.000 1.202 5312 N CA 0.241 53.278 53.050 -0.022 0.000 0.926 5312 N CB 1.718 40.187 38.487 -0.030 0.000 1.078 5312 N HN 0.137 nan 8.380 nan 0.000 0.454 5313 V N 3.475 123.350 119.914 -0.065 0.000 2.530 5313 V HA 0.072 3.751 4.120 -0.734 0.000 0.282 5313 V C 1.628 177.641 176.094 -0.135 0.000 1.048 5313 V CA -0.285 61.940 62.300 -0.126 0.000 0.997 5313 V CB 0.963 32.611 31.823 -0.293 0.000 0.987 5313 V HN 0.549 nan 8.190 nan 0.000 0.477 5314 I N 2.609 123.109 120.570 -0.117 0.000 3.728 5314 I HA 0.101 3.830 4.170 -0.734 0.000 0.307 5314 I C 0.992 177.028 176.117 -0.136 0.000 1.276 5314 I CA 0.273 61.507 61.300 -0.109 0.000 1.285 5314 I CB -1.407 36.545 38.000 -0.080 0.000 1.038 5314 I HN 0.862 nan 8.210 nan 0.000 0.445 5315 N N 2.362 120.966 118.700 -0.160 0.000 3.975 5315 N HA -0.139 4.160 4.740 -0.734 0.000 0.313 5315 N C 0.094 175.506 175.510 -0.164 0.000 2.165 5315 N CA 1.037 53.988 53.050 -0.165 0.000 3.027 5315 N CB 0.089 38.465 38.487 -0.185 0.000 0.322 5315 N HN 0.387 nan 8.380 nan 0.000 0.812 5316 T N -1.321 113.159 114.554 -0.123 0.000 2.883 5316 T HA 0.418 4.328 4.350 -0.734 0.000 0.284 5316 T C 0.860 175.492 174.700 -0.113 0.000 1.041 5316 T CA -0.748 61.282 62.100 -0.118 0.000 1.007 5316 T CB 0.827 69.687 68.868 -0.013 0.000 1.220 5316 T HN 0.557 nan 8.240 nan 0.000 0.552 5317 W N 0.339 121.649 121.300 0.016 0.000 2.341 5317 W HA 0.040 4.260 4.660 -0.734 0.000 0.283 5317 W C 2.710 179.262 176.519 0.055 0.000 1.215 5317 W CA 0.959 58.322 57.345 0.030 0.000 1.211 5317 W CB -0.512 28.966 29.460 0.030 0.000 1.131 5317 W HN 0.906 nan 8.180 nan 0.000 0.552 5318 A N -0.121 122.864 122.820 0.275 0.000 2.024 5318 A HA -0.220 3.660 4.320 -0.734 0.000 0.220 5318 A C 1.704 179.392 177.584 0.173 0.000 1.164 5318 A CA 2.033 54.221 52.037 0.251 0.000 0.643 5318 A CB -0.576 18.614 19.000 0.316 0.000 0.806 5318 A HN 0.279 nan 8.150 nan 0.000 0.451 5319 D N -0.179 120.286 120.400 0.109 0.000 2.162 5319 D HA -0.054 4.146 4.640 -0.734 0.000 0.205 5319 D C 1.795 178.128 176.300 0.054 0.000 0.964 5319 D CA 0.792 54.828 54.000 0.061 0.000 0.847 5319 D CB -0.143 40.650 40.800 -0.012 0.000 0.988 5319 D HN 0.293 nan 8.370 nan 0.000 0.480 5320 I N 1.785 122.383 120.570 0.047 0.000 2.335 5320 I HA -0.208 3.521 4.170 -0.734 0.000 0.251 5320 I C 2.511 178.700 176.117 0.120 0.000 1.129 5320 I CA 0.718 62.060 61.300 0.070 0.000 1.402 5320 I CB -0.929 37.141 38.000 0.117 0.000 1.069 5320 I HN 0.044 nan 8.210 nan 0.000 0.424 5321 I N 0.651 121.315 120.570 0.156 0.000 2.058 5321 I HA -0.366 3.364 4.170 -0.734 0.000 0.235 5321 I C 2.503 178.668 176.117 0.080 0.000 1.053 5321 I CA 1.644 63.020 61.300 0.128 0.000 1.313 5321 I CB -0.569 37.515 38.000 0.141 0.000 1.039 5321 I HN 0.329 nan 8.210 nan 0.000 0.396 5322 N N 0.745 119.491 118.700 0.076 0.000 2.184 5322 N HA -0.269 4.030 4.740 -0.734 0.000 0.190 5322 N C 2.007 177.539 175.510 0.037 0.000 1.011 5322 N CA 1.490 54.570 53.050 0.050 0.000 0.867 5322 N CB -0.034 38.490 38.487 0.062 0.000 0.993 5322 N HN 0.129 nan 8.380 nan 0.000 0.433 5323 R N 0.914 121.441 120.500 0.044 0.000 2.081 5323 R HA 0.055 3.955 4.340 -0.734 0.000 0.235 5323 R C 1.990 178.305 176.300 0.026 0.000 1.131 5323 R CA 1.614 57.733 56.100 0.032 0.000 0.960 5323 R CB -0.903 29.414 30.300 0.028 0.000 0.856 5323 R HN 0.268 nan 8.270 nan 0.000 0.436 5324 A N 0.096 122.937 122.820 0.034 0.000 2.067 5324 A HA -0.022 3.857 4.320 -0.734 0.000 0.217 5324 A C 1.719 179.309 177.584 0.010 0.000 1.156 5324 A CA 1.055 53.108 52.037 0.027 0.000 0.683 5324 A CB -0.386 18.638 19.000 0.039 0.000 0.808 5324 A HN 0.346 nan 8.150 nan 0.000 0.455 5325 N N 0.097 118.800 118.700 0.006 0.000 2.250 5325 N HA -0.020 4.279 4.740 -0.734 0.000 0.181 5325 N C 1.704 177.194 175.510 -0.034 0.000 1.017 5325 N CA 0.928 53.966 53.050 -0.019 0.000 0.866 5325 N CB -0.203 38.272 38.487 -0.020 0.000 0.985 5325 N HN 0.459 nan 8.380 nan 0.000 0.429 5326 L N 0.671 121.883 121.223 -0.018 0.000 1.989 5326 L HA -0.131 3.769 4.340 -0.734 0.000 0.211 5326 L C 2.550 179.412 176.870 -0.015 0.000 1.071 5326 L CA 1.532 56.359 54.840 -0.021 0.000 0.749 5326 L CB -1.120 40.935 42.059 -0.006 0.000 0.890 5326 L HN 0.202 nan 8.230 nan 0.000 0.431 5327 G N -0.405 108.393 108.800 -0.003 0.000 2.507 5327 G HA2 -0.305 3.215 3.960 -0.734 0.000 0.221 5327 G HA3 -0.305 3.215 3.960 -0.734 0.000 0.221 5327 G C 1.579 176.484 174.900 0.008 0.000 1.119 5327 G CA 1.074 46.177 45.100 0.005 0.000 0.751 5327 G HN 0.261 nan 8.290 nan 0.000 0.574 5328 M N -0.365 119.228 119.600 -0.011 0.000 2.134 5328 M HA 0.070 4.109 4.480 -0.734 0.000 0.262 5328 M C 2.429 178.704 176.300 -0.042 0.000 1.076 5328 M CA 1.380 56.666 55.300 -0.023 0.000 1.143 5328 M CB -0.359 32.207 32.600 -0.057 0.000 1.346 5328 M HN 0.327 nan 8.290 nan 0.000 0.421 5329 E N 0.604 120.748 120.200 -0.093 0.000 2.097 5329 E HA -0.204 3.705 4.350 -0.734 0.000 0.196 5329 E C 1.787 178.461 176.600 0.123 0.000 1.000 5329 E CA 1.749 58.080 56.400 -0.115 0.000 0.804 5329 E CB 0.085 29.724 29.700 -0.102 0.000 0.740 5329 E HN 0.273 nan 8.360 nan 0.000 0.454 5330 V N 0.978 120.929 119.914 0.062 0.000 2.244 5330 V HA -0.259 3.421 4.120 -0.734 0.000 0.244 5330 V C 2.484 178.622 176.094 0.073 0.000 1.042 5330 V CA 1.794 64.121 62.300 0.044 0.000 1.006 5330 V CB -0.386 31.442 31.823 0.008 0.000 0.641 5330 V HN 0.405 nan 8.190 nan 0.000 0.446 5331 M N 0.277 119.927 119.600 0.084 0.000 2.374 5331 M HA -0.012 4.028 4.480 -0.734 0.000 0.264 5331 M C 1.126 177.486 176.300 0.101 0.000 1.067 5331 M CA 0.789 56.131 55.300 0.070 0.000 1.103 5331 M CB -1.371 31.262 32.600 0.055 0.000 1.402 5331 M HN 0.645 nan 8.290 nan 0.000 0.444 5332 H N 1.243 120.320 119.070 0.012 0.000 2.848 5332 H HA 0.120 4.236 4.556 -0.735 0.000 0.341 5332 H C -0.405 174.975 175.328 0.087 0.000 1.060 5332 H CA 0.464 56.536 56.048 0.040 0.000 1.444 5332 H CB -0.058 29.727 29.762 0.037 0.000 1.446 5332 H HN 0.236 nan 8.280 nan 0.000 0.583 5333 E N 1.689 121.823 120.200 -0.110 0.000 2.228 5333 E HA -0.292 3.617 4.350 -0.734 0.000 0.213 5333 E C 1.510 178.050 176.600 -0.099 0.000 1.282 5333 E CA 0.742 57.052 56.400 -0.151 0.000 0.707 5333 E CB -0.444 29.118 29.700 -0.230 0.000 1.150 5333 E HN 0.880 nan 8.360 nan 0.000 0.362 5334 R N 0.204 120.673 120.500 -0.053 0.000 2.153 5334 R HA -0.216 3.684 4.340 -0.734 0.000 0.252 5334 R C 0.848 177.135 176.300 -0.021 0.000 1.158 5334 R CA 1.813 57.899 56.100 -0.023 0.000 0.975 5334 R CB -0.244 30.046 30.300 -0.018 0.000 0.871 5334 R HN 0.190 nan 8.270 nan 0.000 0.450 5335 N N 0.171 118.838 118.700 -0.055 0.000 2.235 5335 N HA 0.154 4.453 4.740 -0.734 0.000 0.209 5335 N C 0.296 175.731 175.510 -0.126 0.000 1.122 5335 N CA 0.605 53.611 53.050 -0.073 0.000 0.845 5335 N CB 1.471 39.918 38.487 -0.068 0.000 1.004 5335 N HN 0.383 nan 8.380 nan 0.000 0.499 5336 A N -0.205 122.498 122.820 -0.195 0.000 2.348 5336 A HA 0.150 4.030 4.320 -0.734 0.000 0.224 5336 A C -0.130 177.133 177.584 -0.535 0.000 1.227 5336 A CA 0.083 51.906 52.037 -0.355 0.000 0.885 5336 A CB -0.091 18.656 19.000 -0.422 0.000 0.933 5336 A HN 0.201 nan 8.150 nan 0.000 0.506 5337 H N -0.711 118.260 119.070 -0.165 0.000 2.457 5337 H HA 0.462 4.577 4.556 -0.735 0.000 0.335 5337 H C 0.201 175.365 175.328 -0.274 0.000 1.115 5337 H CA -0.706 55.232 56.048 -0.183 0.000 1.219 5337 H CB 1.170 30.848 29.762 -0.141 0.000 1.471 5337 H HN 0.116 nan 8.280 nan 0.000 0.491 5338 N N 1.422 119.895 118.700 -0.378 0.000 2.257 5338 N HA 0.087 4.386 4.740 -0.734 0.000 0.200 5338 N C -0.970 173.967 175.510 -0.955 0.000 1.163 5338 N CA 0.258 52.837 53.050 -0.785 0.000 0.891 5338 N CB 0.926 38.673 38.487 -1.234 0.000 1.067 5338 N HN 0.275 nan 8.380 nan 0.000 0.497 5339 F N -0.209 119.771 119.950 0.050 0.000 2.593 5339 F HA 0.455 4.541 4.527 -0.735 0.000 0.320 5339 F C -1.265 174.550 175.800 0.026 0.000 1.060 5339 F CA -2.151 55.867 58.000 0.030 0.000 0.940 5339 F CB 0.129 39.142 39.000 0.022 0.000 1.268 5339 F HN -0.286 nan 8.300 nan 0.000 0.475 5340 P HA -0.134 nan 4.420 nan 0.000 0.218 5340 P C -0.361 176.971 177.300 0.052 0.000 1.154 5340 P CA 1.490 64.640 63.100 0.084 0.000 0.872 5340 P CB 0.102 31.844 31.700 0.071 0.000 0.790 5341 L N -0.495 120.776 121.223 0.081 0.000 2.295 5341 L HA 0.306 4.206 4.340 -0.734 0.000 0.285 5341 L C 0.214 177.127 176.870 0.073 0.000 1.035 5341 L CA -0.870 53.998 54.840 0.048 0.000 0.806 5341 L CB 1.024 43.104 42.059 0.034 0.000 1.214 5341 L HN -0.221 nan 8.230 nan 0.000 0.426 5342 D N 4.200 124.621 120.400 0.035 0.000 2.517 5342 D HA 0.221 4.420 4.640 -0.734 0.000 0.220 5342 D C 0.141 176.472 176.300 0.051 0.000 1.158 5342 D CA -0.060 53.985 54.000 0.074 0.000 0.992 5342 D CB 0.347 41.169 40.800 0.036 0.000 1.058 5342 D HN 0.395 nan 8.370 nan 0.000 0.516 5343 L N 1.819 123.082 121.223 0.067 0.000 3.036 5343 L HA 0.627 4.527 4.340 -0.734 0.000 0.237 5343 L C 0.460 177.350 176.870 0.033 0.000 1.319 5343 L CA -0.503 54.357 54.840 0.034 0.000 1.112 5343 L CB -0.298 41.780 42.059 0.032 0.000 1.480 5343 L HN 0.265 nan 8.230 nan 0.000 0.506 5344 A N 0.000 122.845 122.820 0.042 0.000 2.254 5344 A HA 0.000 3.879 4.320 -0.734 0.000 0.244 5344 A CA 0.000 52.051 52.037 0.023 0.000 0.836 5344 A CB 0.000 19.013 19.000 0.022 0.000 0.831 5344 A HN 0.000 nan 8.150 nan 0.000 0.486