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 3a0b_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 SLHFFLAAWR VVGVWFAALG 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 0.000 174.633 174.600 0.054 0.000 1.055 5010 S CA 0.000 58.227 58.200 0.044 0.000 1.107 5010 S CB 0.000 63.224 63.200 0.040 0.000 0.593 5011 A N 3.362 126.223 122.820 0.068 0.000 2.301 5011 A HA 0.663 4.700 4.320 -0.472 0.000 0.312 5011 A C 0.319 177.963 177.584 0.100 0.000 1.182 5011 A CA -0.512 51.578 52.037 0.088 0.000 0.826 5011 A CB -0.043 19.021 19.000 0.107 0.000 1.134 5011 A HN 1.000 nan 8.150 nan 0.000 0.501 5012 N N 1.817 120.582 118.700 0.109 0.000 2.267 5012 N HA 0.038 4.495 4.740 -0.472 0.000 0.226 5012 N C 0.723 176.332 175.510 0.165 0.000 1.314 5012 N CA -0.497 52.625 53.050 0.120 0.000 0.887 5012 N CB 0.229 38.785 38.487 0.115 0.000 1.120 5012 N HN 0.320 nan 8.380 nan 0.000 0.440 5013 L N -1.228 120.090 121.223 0.159 0.000 2.013 5013 L HA -0.203 3.854 4.340 -0.472 0.000 0.212 5013 L C 2.232 179.264 176.870 0.270 0.000 1.073 5013 L CA 1.717 56.656 54.840 0.164 0.000 0.753 5013 L CB -1.934 40.196 42.059 0.117 0.000 0.890 5013 L HN 0.797 nan 8.230 nan 0.000 0.432 5014 W N 1.688 123.079 121.300 0.152 0.000 2.342 5014 W HA -0.252 4.125 4.660 -0.472 0.000 0.297 5014 W C 2.317 178.968 176.519 0.220 0.000 1.213 5014 W CA 1.849 59.332 57.345 0.230 0.000 1.251 5014 W CB -0.205 29.349 29.460 0.157 0.000 1.136 5014 W HN 0.268 nan 8.180 nan 0.000 0.526 5015 E N 0.697 121.200 120.200 0.505 0.000 2.160 5015 E HA -0.266 3.801 4.350 -0.472 0.000 0.195 5015 E C 2.117 178.882 176.600 0.275 0.000 0.991 5015 E CA 2.164 58.791 56.400 0.380 0.000 0.810 5015 E CB -0.354 29.497 29.700 0.252 0.000 0.742 5015 E HN 0.162 nan 8.360 nan 0.000 0.466 5016 R N -0.030 120.610 120.500 0.233 0.000 2.057 5016 R HA -0.050 4.007 4.340 -0.472 0.000 0.229 5016 R C 2.193 178.630 176.300 0.228 0.000 1.136 5016 R CA 1.827 58.039 56.100 0.187 0.000 0.952 5016 R CB -1.443 28.933 30.300 0.127 0.000 0.848 5016 R HN 0.353 nan 8.270 nan 0.000 0.430 5017 F N 0.606 120.537 119.950 -0.032 0.000 2.045 5017 F HA -0.377 3.866 4.527 -0.473 0.000 0.297 5017 F C 1.661 177.429 175.800 -0.053 0.000 1.114 5017 F CA 1.644 59.550 58.000 -0.157 0.000 1.207 5017 F CB -0.280 38.507 39.000 -0.355 0.000 0.964 5017 F HN 0.182 nan 8.300 nan 0.000 0.486 5018 C N 1.109 120.464 119.300 0.091 0.000 2.466 5018 C HA -0.107 4.069 4.460 -0.472 0.000 0.283 5018 C C 1.992 177.008 174.990 0.044 0.000 1.472 5018 C CA 0.695 59.771 59.018 0.097 0.000 1.765 5018 C CB -1.802 26.195 27.740 0.427 0.000 1.724 5018 C HN 0.535 nan 8.230 nan 0.000 0.560 5019 N N -0.823 117.963 118.700 0.144 0.000 2.415 5019 N HA -0.049 4.408 4.740 -0.472 0.000 0.174 5019 N C 1.349 176.942 175.510 0.139 0.000 1.048 5019 N CA 0.548 53.668 53.050 0.117 0.000 0.895 5019 N CB -0.349 38.221 38.487 0.138 0.000 1.036 5019 N HN 0.821 nan 8.380 nan 0.000 0.449 5020 W N 2.557 123.849 121.300 -0.013 0.000 2.467 5020 W HA -0.068 4.307 4.660 -0.474 0.000 0.275 5020 W C 1.752 178.230 176.519 -0.069 0.000 1.239 5020 W CA 0.752 58.091 57.345 -0.010 0.000 1.266 5020 W CB 0.265 29.740 29.460 0.026 0.000 1.112 5020 W HN -0.101 nan 8.180 nan 0.000 0.576 5021 V N -1.351 118.701 119.914 0.230 0.000 3.052 5021 V HA 0.025 3.862 4.120 -0.472 0.000 0.254 5021 V C 1.411 177.247 176.094 -0.430 0.000 1.100 5021 V CA 1.910 64.115 62.300 -0.158 0.000 1.112 5021 V CB -0.943 30.517 31.823 -0.606 0.000 0.738 5021 V HN 0.252 nan 8.190 nan 0.000 0.469 5022 T N -2.929 111.485 114.554 -0.233 0.000 3.132 5022 T HA 0.285 4.352 4.350 -0.472 0.000 0.274 5022 T C 0.708 175.472 174.700 0.106 0.000 1.011 5022 T CA 0.479 62.605 62.100 0.043 0.000 0.899 5022 T CB -0.065 68.728 68.868 -0.125 0.000 1.089 5022 T HN 0.332 nan 8.240 nan 0.000 0.543 5023 S N 3.034 118.764 115.700 0.049 0.000 2.455 5023 S HA 0.251 4.438 4.470 -0.472 0.000 0.278 5023 S C 1.542 176.076 174.600 -0.111 0.000 1.216 5023 S CA -0.180 57.991 58.200 -0.049 0.000 1.055 5023 S CB 0.342 63.488 63.200 -0.090 0.000 0.939 5023 S HN 0.612 nan 8.310 nan 0.000 0.494 5024 T N 1.566 115.997 114.554 -0.204 0.000 3.320 5024 T HA 0.036 4.103 4.350 -0.472 0.000 0.258 5024 T C 0.530 175.118 174.700 -0.186 0.000 1.176 5024 T CA 0.463 62.389 62.100 -0.289 0.000 1.037 5024 T CB -0.152 68.545 68.868 -0.285 0.000 0.958 5024 T HN 0.501 nan 8.240 nan 0.000 0.545 5025 D N 0.781 121.096 120.400 -0.142 0.000 2.323 5025 D HA 0.101 4.458 4.640 -0.472 0.000 0.218 5025 D C 0.613 176.840 176.300 -0.123 0.000 0.973 5025 D CA 0.118 54.048 54.000 -0.116 0.000 0.890 5025 D CB -0.234 40.510 40.800 -0.093 0.000 1.011 5025 D HN 0.334 nan 8.370 nan 0.000 0.499 5026 N N 1.850 120.451 118.700 -0.165 0.000 2.293 5026 N HA -0.095 4.361 4.740 -0.472 0.000 0.253 5026 N C 1.303 176.742 175.510 -0.120 0.000 1.248 5026 N CA 0.178 53.113 53.050 -0.192 0.000 0.845 5026 N CB 0.964 39.257 38.487 -0.322 0.000 1.073 5026 N HN -0.031 nan 8.380 nan 0.000 0.464 5027 R N 2.324 122.763 120.500 -0.101 0.000 2.153 5027 R HA -0.055 4.002 4.340 -0.472 0.000 0.252 5027 R C -0.079 176.191 176.300 -0.050 0.000 1.158 5027 R CA 1.630 57.691 56.100 -0.064 0.000 0.975 5027 R CB -0.016 30.254 30.300 -0.049 0.000 0.871 5027 R HN 0.616 nan 8.270 nan 0.000 0.450 5028 L N -0.905 120.285 121.223 -0.056 0.000 2.464 5028 L HA 0.262 4.319 4.340 -0.472 0.000 0.266 5028 L C -1.195 175.669 176.870 -0.009 0.000 0.965 5028 L CA -1.461 53.369 54.840 -0.017 0.000 0.833 5028 L CB 1.680 43.736 42.059 -0.005 0.000 1.296 5028 L HN -0.081 nan 8.230 nan 0.000 0.405 5029 Y N 2.643 122.864 120.300 -0.131 0.000 2.569 5029 Y HA 0.116 4.381 4.550 -0.474 0.000 0.332 5029 Y C 0.613 176.443 175.900 -0.116 0.000 1.120 5029 Y CA -0.157 57.848 58.100 -0.158 0.000 1.416 5029 Y CB 0.960 39.331 38.460 -0.149 0.000 1.210 5029 Y HN 0.278 nan 8.280 nan 0.000 0.528 5030 V N 7.153 126.782 119.914 -0.475 0.000 3.189 5030 V HA 0.189 4.026 4.120 -0.472 0.000 0.366 5030 V C 1.405 177.134 176.094 -0.608 0.000 1.313 5030 V CA -0.007 62.059 62.300 -0.390 0.000 1.302 5030 V CB -1.214 30.458 31.823 -0.251 0.000 1.260 5030 V HN 1.053 nan 8.190 nan 0.000 0.484 5031 G N -0.343 107.694 108.800 -1.272 0.000 3.026 5031 G HA2 -0.125 3.552 3.960 -0.472 0.000 0.232 5031 G HA3 -0.125 3.552 3.960 -0.472 0.000 0.232 5031 G C 0.694 175.477 174.900 -0.196 0.000 1.241 5031 G CA 0.197 44.656 45.100 -1.068 0.000 0.858 5031 G HN 0.586 nan 8.290 nan 0.000 0.592 5032 W N 0.001 121.313 121.300 0.021 0.000 2.318 5032 W HA -0.144 4.229 4.660 -0.478 0.000 0.313 5032 W C 2.310 178.898 176.519 0.115 0.000 1.221 5032 W CA 0.178 57.581 57.345 0.097 0.000 1.266 5032 W CB -0.283 29.289 29.460 0.186 0.000 1.150 5032 W HN 0.496 nan 8.180 nan 0.000 0.496 5033 F N 0.153 120.278 119.950 0.292 0.000 2.333 5033 F HA -0.095 4.139 4.527 -0.488 0.000 0.300 5033 F C 2.357 178.237 175.800 0.133 0.000 1.083 5033 F CA 1.597 59.711 58.000 0.191 0.000 1.395 5033 F CB -1.102 38.009 39.000 0.185 0.000 1.056 5033 F HN -0.145 nan 8.300 nan 0.000 0.529 5034 G N -0.863 108.082 108.800 0.242 0.000 2.511 5034 G HA2 -0.082 3.595 3.960 -0.472 0.000 0.217 5034 G HA3 -0.082 3.595 3.960 -0.472 0.000 0.217 5034 G C 1.570 176.557 174.900 0.146 0.000 1.133 5034 G CA 0.771 45.955 45.100 0.140 0.000 0.792 5034 G HN 0.260 nan 8.290 nan 0.000 0.539 5035 V N 0.325 120.350 119.914 0.186 0.000 3.141 5035 V HA 0.007 3.843 4.120 -0.472 0.000 0.265 5035 V C 2.186 178.363 176.094 0.138 0.000 1.126 5035 V CA 0.906 63.323 62.300 0.195 0.000 1.141 5035 V CB -0.164 31.818 31.823 0.265 0.000 0.743 5035 V HN 0.257 nan 8.190 nan 0.000 0.492 5036 I N -1.609 119.028 120.570 0.111 0.000 3.565 5036 I HA 0.103 3.989 4.170 -0.472 0.000 0.287 5036 I C 2.004 178.183 176.117 0.103 0.000 1.193 5036 I CA 0.853 62.199 61.300 0.077 0.000 1.402 5036 I CB -0.275 37.729 38.000 0.006 0.000 1.284 5036 I HN 0.112 nan 8.210 nan 0.000 0.454 5037 M N 0.342 120.020 119.600 0.130 0.000 2.084 5037 M HA -0.235 3.962 4.480 -0.472 0.000 0.259 5037 M C 2.363 178.745 176.300 0.137 0.000 1.072 5037 M CA 2.158 57.547 55.300 0.149 0.000 1.107 5037 M CB -0.190 32.527 32.600 0.195 0.000 1.299 5037 M HN 0.116 nan 8.290 nan 0.000 0.413 5038 I N 0.290 120.940 120.570 0.133 0.000 2.087 5038 I HA -0.296 3.591 4.170 -0.472 0.000 0.240 5038 I C -0.674 175.514 176.117 0.119 0.000 1.054 5038 I CA 2.149 63.520 61.300 0.119 0.000 1.311 5038 I CB -2.012 36.055 38.000 0.113 0.000 1.024 5038 I HN 0.275 nan 8.210 nan 0.000 0.402 5039 P HA -0.133 nan 4.420 nan 0.000 0.216 5039 P C 1.646 179.045 177.300 0.164 0.000 1.150 5039 P CA 1.614 64.791 63.100 0.129 0.000 0.837 5039 P CB -0.112 31.664 31.700 0.127 0.000 0.786 5040 T N 0.254 114.922 114.554 0.190 0.000 2.545 5040 T HA -0.121 3.946 4.350 -0.472 0.000 0.261 5040 T C 1.725 176.569 174.700 0.240 0.000 1.097 5040 T CA 1.119 63.387 62.100 0.279 0.000 1.189 5040 T CB -0.979 67.996 68.868 0.179 0.000 0.863 5040 T HN -0.074 nan 8.240 nan 0.000 0.405 5041 L N 0.978 122.299 121.223 0.164 0.000 2.089 5041 L HA -0.105 3.952 4.340 -0.472 0.000 0.213 5041 L C 2.548 179.471 176.870 0.087 0.000 1.079 5041 L CA 1.572 56.489 54.840 0.128 0.000 0.758 5041 L CB -1.546 40.573 42.059 0.100 0.000 0.891 5041 L HN 0.354 nan 8.230 nan 0.000 0.433 5042 L N -0.625 120.649 121.223 0.084 0.000 2.042 5042 L HA -0.246 3.811 4.340 -0.472 0.000 0.210 5042 L C 2.826 179.717 176.870 0.036 0.000 1.076 5042 L CA 1.487 56.362 54.840 0.058 0.000 0.749 5042 L CB -0.739 41.359 42.059 0.064 0.000 0.893 5042 L HN 0.274 nan 8.230 nan 0.000 0.432 5043 A N 0.136 122.973 122.820 0.028 0.000 1.841 5043 A HA -0.220 3.816 4.320 -0.472 0.000 0.216 5043 A C 2.558 180.083 177.584 -0.098 0.000 1.199 5043 A CA 2.056 54.046 52.037 -0.079 0.000 0.621 5043 A CB -0.978 17.878 19.000 -0.239 0.000 0.835 5043 A HN 0.414 nan 8.150 nan 0.000 0.445 5044 A N -0.799 121.982 122.820 -0.065 0.000 1.873 5044 A HA -0.257 3.780 4.320 -0.472 0.000 0.219 5044 A C 2.337 179.909 177.584 -0.019 0.000 1.269 5044 A CA 3.330 55.351 52.037 -0.027 0.000 0.671 5044 A CB -1.854 17.183 19.000 0.062 0.000 0.842 5044 A HN 0.561 nan 8.150 nan 0.000 0.460 5045 T N 0.865 115.402 114.554 -0.028 0.000 2.486 5045 T HA -0.283 3.783 4.350 -0.472 0.000 0.257 5045 T C 1.888 176.659 174.700 0.118 0.000 1.175 5045 T CA 2.395 64.493 62.100 -0.003 0.000 1.207 5045 T CB -1.065 67.794 68.868 -0.014 0.000 0.864 5045 T HN 0.886 nan 8.240 nan 0.000 0.405 5046 I N 0.250 120.866 120.570 0.076 0.000 2.300 5046 I HA -0.236 3.651 4.170 -0.472 0.000 0.252 5046 I C 2.692 178.864 176.117 0.093 0.000 1.119 5046 I CA 1.574 62.923 61.300 0.082 0.000 1.384 5046 I CB -0.843 37.186 38.000 0.049 0.000 1.062 5046 I HN 0.387 nan 8.210 nan 0.000 0.426 5047 C N 1.036 120.387 119.300 0.084 0.000 2.491 5047 C HA -0.177 4.000 4.460 -0.472 0.000 0.283 5047 C C 2.678 177.740 174.990 0.120 0.000 1.238 5047 C CA 1.160 60.233 59.018 0.091 0.000 1.735 5047 C CB -1.234 26.547 27.740 0.069 0.000 2.080 5047 C HN 0.730 nan 8.230 nan 0.000 0.463 5048 F N 1.862 121.784 119.950 -0.047 0.000 2.024 5048 F HA -0.199 4.057 4.527 -0.451 0.000 0.296 5048 F C 2.080 177.888 175.800 0.014 0.000 1.137 5048 F CA 2.727 60.686 58.000 -0.069 0.000 1.200 5048 F CB -1.193 37.715 39.000 -0.154 0.000 0.954 5048 F HN 0.153 nan 8.300 nan 0.000 0.497 5049 V N 1.210 121.365 119.914 0.401 0.000 2.511 5049 V HA -0.353 3.484 4.120 -0.472 0.000 0.257 5049 V C 2.403 178.527 176.094 0.049 0.000 1.088 5049 V CA 2.245 64.690 62.300 0.241 0.000 1.098 5049 V CB -0.848 31.155 31.823 0.300 0.000 0.674 5049 V HN 0.531 nan 8.190 nan 0.000 0.470 5050 I N -0.158 120.430 120.570 0.030 0.000 2.429 5050 I HA -0.044 3.843 4.170 -0.472 0.000 0.247 5050 I C 2.648 178.751 176.117 -0.024 0.000 1.099 5050 I CA 1.049 62.352 61.300 0.006 0.000 1.422 5050 I CB -0.665 37.353 38.000 0.030 0.000 1.112 5050 I HN 0.236 nan 8.210 nan 0.000 0.430 5051 A N 0.821 123.615 122.820 -0.044 0.000 1.986 5051 A HA -0.279 3.757 4.320 -0.472 0.000 0.220 5051 A C 2.324 179.873 177.584 -0.058 0.000 1.171 5051 A CA 1.506 53.509 52.037 -0.056 0.000 0.640 5051 A CB -1.183 17.757 19.000 -0.101 0.000 0.811 5051 A HN 0.551 nan 8.150 nan 0.000 0.451 5052 F N -0.302 119.404 119.950 -0.406 0.000 2.451 5052 F HA -0.072 4.178 4.527 -0.463 0.000 0.299 5052 F C 1.776 177.447 175.800 -0.214 0.000 1.101 5052 F CA 0.584 58.334 58.000 -0.417 0.000 1.436 5052 F CB 0.018 38.631 39.000 -0.645 0.000 1.074 5052 F HN 0.197 nan 8.300 nan 0.000 0.553 5053 I N 0.148 120.641 120.570 -0.128 0.000 2.272 5053 I HA -0.031 3.856 4.170 -0.472 0.000 0.235 5053 I C 1.100 177.134 176.117 -0.138 0.000 1.071 5053 I CA 0.730 61.908 61.300 -0.204 0.000 1.374 5053 I CB -0.377 37.536 38.000 -0.146 0.000 1.121 5053 I HN -0.029 nan 8.210 nan 0.000 0.420 5054 A N 1.286 124.063 122.820 -0.071 0.000 2.786 5054 A HA 0.712 4.748 4.320 -0.472 0.000 0.346 5054 A C -0.242 177.428 177.584 0.143 0.000 1.265 5054 A CA -0.415 51.604 52.037 -0.031 0.000 0.858 5054 A CB -0.146 18.802 19.000 -0.086 0.000 1.118 5054 A HN 0.267 nan 8.150 nan 0.000 0.482 5055 A N 3.424 126.373 122.820 0.214 0.000 2.316 5055 A HA 0.680 4.717 4.320 -0.472 0.000 0.311 5055 A C -2.744 174.942 177.584 0.169 0.000 1.339 5055 A CA -1.521 50.604 52.037 0.147 0.000 0.960 5055 A CB -0.107 18.932 19.000 0.065 0.000 1.152 5055 A HN 0.452 nan 8.150 nan 0.000 0.547 5056 P HA 0.132 nan 4.420 nan 0.000 0.268 5056 P C -2.384 174.718 177.300 -0.329 0.000 1.204 5056 P CA -0.752 62.241 63.100 -0.178 0.000 0.768 5056 P CB 0.026 31.716 31.700 -0.016 0.000 0.842 5057 P HA -0.153 nan 4.420 nan 0.000 0.255 5057 P C -0.545 176.522 177.300 -0.388 0.000 1.141 5057 P CA 0.953 63.794 63.100 -0.432 0.000 0.767 5057 P CB 0.137 31.578 31.700 -0.432 0.000 0.726 5058 V N 3.640 123.363 119.914 -0.317 0.000 2.769 5058 V HA 0.264 4.101 4.120 -0.472 0.000 0.312 5058 V C 0.433 176.332 176.094 -0.326 0.000 1.058 5058 V CA -0.226 61.879 62.300 -0.324 0.000 0.952 5058 V CB 1.952 33.654 31.823 -0.203 0.000 1.019 5058 V HN 0.488 nan 8.190 nan 0.000 0.445 5059 D N 3.116 123.306 120.400 -0.349 0.000 2.505 5059 D HA 0.234 4.591 4.640 -0.472 0.000 0.242 5059 D C 1.049 177.275 176.300 -0.124 0.000 1.136 5059 D CA -0.554 53.303 54.000 -0.239 0.000 0.954 5059 D CB 0.359 41.014 40.800 -0.241 0.000 1.002 5059 D HN 0.303 nan 8.370 nan 0.000 0.512 5060 I N 0.086 120.591 120.570 -0.109 0.000 2.043 5060 I HA -0.102 3.784 4.170 -0.472 0.000 0.223 5060 I C 0.399 176.478 176.117 -0.062 0.000 1.026 5060 I CA 1.068 62.317 61.300 -0.084 0.000 1.326 5060 I CB -1.786 36.178 38.000 -0.060 0.000 1.060 5060 I HN 0.188 nan 8.210 nan 0.000 0.386 5061 D N 1.338 121.708 120.400 -0.051 0.000 2.351 5061 D HA -0.020 4.337 4.640 -0.472 0.000 0.232 5061 D C 1.554 177.830 176.300 -0.040 0.000 1.275 5061 D CA 1.006 54.979 54.000 -0.046 0.000 0.882 5061 D CB 0.266 41.029 40.800 -0.061 0.000 1.221 5061 D HN 0.534 nan 8.370 nan 0.000 0.485 5062 G N 0.626 109.403 108.800 -0.038 0.000 2.421 5062 G HA2 -0.166 3.510 3.960 -0.472 0.000 0.216 5062 G HA3 -0.166 3.510 3.960 -0.472 0.000 0.216 5062 G C 1.070 175.961 174.900 -0.015 0.000 1.171 5062 G CA 0.400 45.484 45.100 -0.026 0.000 0.775 5062 G HN 0.694 nan 8.290 nan 0.000 0.543 5063 I N -0.431 120.119 120.570 -0.033 0.000 2.919 5063 I HA 0.060 3.947 4.170 -0.472 0.000 0.299 5063 I C 0.072 176.194 176.117 0.009 0.000 1.221 5063 I CA -0.199 61.085 61.300 -0.027 0.000 1.424 5063 I CB 0.342 38.307 38.000 -0.059 0.000 1.358 5063 I HN -0.014 nan 8.210 nan 0.000 0.551 5064 R N 6.041 126.565 120.500 0.040 0.000 3.152 5064 R HA 0.064 4.121 4.340 -0.472 0.000 0.209 5064 R C -0.406 175.943 176.300 0.082 0.000 1.649 5064 R CA 0.124 56.295 56.100 0.120 0.000 1.185 5064 R CB -0.647 29.718 30.300 0.108 0.000 1.258 5064 R HN 0.798 nan 8.270 nan 0.000 0.656 5065 E N 0.629 120.842 120.200 0.022 0.000 3.117 5065 E HA 0.199 4.266 4.350 -0.472 0.000 0.262 5065 E C -2.519 174.024 176.600 -0.095 0.000 1.202 5065 E CA -2.062 54.322 56.400 -0.026 0.000 0.853 5065 E CB 0.808 30.486 29.700 -0.037 0.000 1.426 5065 E HN 0.071 nan 8.360 nan 0.000 0.387 5066 P HA -0.115 nan 4.420 nan 0.000 0.251 5066 P C -0.292 176.886 177.300 -0.203 0.000 1.154 5066 P CA 0.135 63.049 63.100 -0.309 0.000 0.805 5066 P CB 0.669 32.107 31.700 -0.437 0.000 0.759 5067 V N 3.834 123.644 119.914 -0.173 0.000 2.259 5067 V HA 0.176 4.012 4.120 -0.472 0.000 0.267 5067 V C 0.825 176.847 176.094 -0.120 0.000 1.051 5067 V CA 0.097 62.328 62.300 -0.115 0.000 0.830 5067 V CB 0.768 32.545 31.823 -0.076 0.000 1.080 5067 V HN 0.563 nan 8.190 nan 0.000 0.467 5068 S N 4.260 119.882 115.700 -0.129 0.000 2.532 5068 S HA 0.582 4.768 4.470 -0.472 0.000 0.256 5068 S C 0.480 175.052 174.600 -0.047 0.000 1.298 5068 S CA -0.339 57.790 58.200 -0.119 0.000 1.166 5068 S CB 0.361 63.431 63.200 -0.217 0.000 1.022 5068 S HN 0.876 nan 8.310 nan 0.000 0.480 5069 G N 2.326 111.121 108.800 -0.008 0.000 2.544 5069 G HA2 0.528 4.205 3.960 -0.472 0.000 0.242 5069 G HA3 0.528 4.205 3.960 -0.472 0.000 0.242 5069 G C -0.087 174.858 174.900 0.074 0.000 1.247 5069 G CA -0.032 45.091 45.100 0.038 0.000 0.840 5069 G HN 0.819 nan 8.290 nan 0.000 0.578 5070 S N 0.085 115.849 115.700 0.108 0.000 2.627 5070 S HA 0.191 4.378 4.470 -0.472 0.000 0.270 5070 S C 0.662 175.287 174.600 0.041 0.000 1.147 5070 S CA -0.440 57.835 58.200 0.126 0.000 0.944 5070 S CB -0.261 63.058 63.200 0.198 0.000 1.201 5070 S HN 0.386 nan 8.310 nan 0.000 0.479 5071 L N 1.118 122.307 121.223 -0.056 0.000 2.327 5071 L HA 0.418 4.475 4.340 -0.472 0.000 0.192 5071 L C 1.521 178.298 176.870 -0.154 0.000 1.158 5071 L CA 0.457 55.202 54.840 -0.158 0.000 0.813 5071 L CB -0.312 41.569 42.059 -0.295 0.000 1.021 5071 L HN 0.619 nan 8.230 nan 0.000 0.481 5072 L N -0.599 120.474 121.223 -0.250 0.000 2.749 5072 L HA -0.148 3.909 4.340 -0.472 0.000 0.245 5072 L C 0.924 177.449 176.870 -0.575 0.000 1.156 5072 L CA 0.634 55.232 54.840 -0.404 0.000 0.890 5072 L CB -0.445 41.310 42.059 -0.507 0.000 1.036 5072 L HN 0.370 nan 8.230 nan 0.000 0.441 5073 Y N -1.201 119.071 120.300 -0.047 0.000 2.965 5073 Y HA 0.271 4.537 4.550 -0.473 0.000 0.242 5073 Y C 1.816 177.698 175.900 -0.029 0.000 1.078 5073 Y CA -0.163 57.916 58.100 -0.035 0.000 1.288 5073 Y CB 0.072 38.511 38.460 -0.034 0.000 1.459 5073 Y HN -0.120 nan 8.280 nan 0.000 0.438 5074 G N 1.886 110.769 108.800 0.138 0.000 4.975 5074 G HA2 0.097 3.774 3.960 -0.472 0.000 0.312 5074 G HA3 0.097 3.774 3.960 -0.472 0.000 0.312 5074 G C -0.685 174.231 174.900 0.026 0.000 1.425 5074 G CA -0.703 44.438 45.100 0.068 0.000 1.076 5074 G HN 0.391 nan 8.290 nan 0.000 0.586 5075 N N 0.677 119.370 118.700 -0.011 0.000 2.349 5075 N HA -0.055 4.402 4.740 -0.472 0.000 0.296 5075 N C -0.507 174.981 175.510 -0.037 0.000 1.304 5075 N CA 0.239 53.256 53.050 -0.055 0.000 1.051 5075 N CB 0.204 38.641 38.487 -0.084 0.000 1.466 5075 N HN 0.328 nan 8.380 nan 0.000 0.487 5076 N N 1.611 120.295 118.700 -0.027 0.000 2.591 5076 N HA 0.276 4.733 4.740 -0.472 0.000 0.263 5076 N C 0.197 175.721 175.510 0.024 0.000 1.308 5076 N CA -0.770 52.279 53.050 -0.001 0.000 0.837 5076 N CB 1.258 39.763 38.487 0.031 0.000 1.548 5076 N HN 0.057 nan 8.380 nan 0.000 0.493 5077 I N 1.423 122.023 120.570 0.050 0.000 2.400 5077 I HA -0.004 3.883 4.170 -0.472 0.000 0.248 5077 I C 1.520 177.745 176.117 0.180 0.000 1.109 5077 I CA 0.702 62.085 61.300 0.138 0.000 1.425 5077 I CB -0.675 37.393 38.000 0.114 0.000 1.094 5077 I HN 0.623 nan 8.210 nan 0.000 0.425 5078 I N 0.462 121.106 120.570 0.123 0.000 2.761 5078 I HA -0.115 3.772 4.170 -0.472 0.000 0.261 5078 I C 2.506 178.683 176.117 0.100 0.000 1.198 5078 I CA 1.108 62.481 61.300 0.122 0.000 1.482 5078 I CB -2.165 35.922 38.000 0.146 0.000 1.100 5078 I HN 0.267 nan 8.210 nan 0.000 0.445 5079 T N 0.067 114.679 114.554 0.096 0.000 2.754 5079 T HA 0.101 4.168 4.350 -0.472 0.000 0.238 5079 T C 1.491 176.237 174.700 0.077 0.000 1.091 5079 T CA 0.529 62.676 62.100 0.079 0.000 1.358 5079 T CB -1.321 67.587 68.868 0.067 0.000 1.006 5079 T HN 0.307 nan 8.240 nan 0.000 0.411 5080 G N 1.673 110.539 108.800 0.110 0.000 3.515 5080 G HA2 0.357 4.033 3.960 -0.472 0.000 0.293 5080 G HA3 0.357 4.033 3.960 -0.472 0.000 0.293 5080 G C 0.138 175.104 174.900 0.109 0.000 1.296 5080 G CA 0.266 45.454 45.100 0.147 0.000 0.980 5080 G HN 1.650 nan 8.290 nan 0.000 0.661 5081 A N -2.757 120.108 122.820 0.075 0.000 2.396 5081 A HA 0.507 4.544 4.320 -0.472 0.000 0.291 5081 A C -1.230 176.287 177.584 -0.113 0.000 1.021 5081 A CA 0.059 52.023 52.037 -0.121 0.000 0.563 5081 A CB 0.132 19.076 19.000 -0.092 0.000 1.507 5081 A HN 1.679 nan 8.150 nan 0.000 0.646 5082 V N 0.563 120.388 119.914 -0.148 0.000 2.370 5082 V HA 0.574 4.410 4.120 -0.472 0.000 0.283 5082 V C -0.003 176.098 176.094 0.012 0.000 1.023 5082 V CA -0.594 61.639 62.300 -0.112 0.000 0.857 5082 V CB 1.154 32.886 31.823 -0.151 0.000 0.985 5082 V HN 0.812 nan 8.190 nan 0.000 0.443 5083 V N 7.780 127.709 119.914 0.025 0.000 2.644 5083 V HA 0.373 4.209 4.120 -0.472 0.000 0.295 5083 V C -1.634 174.546 176.094 0.144 0.000 1.053 5083 V CA -1.701 60.637 62.300 0.063 0.000 0.987 5083 V CB 2.186 33.993 31.823 -0.026 0.000 1.006 5083 V HN 0.753 nan 8.190 nan 0.000 0.472 5084 P HA -0.022 nan 4.420 nan 0.000 0.288 5084 P C -0.628 176.409 177.300 -0.439 0.000 1.320 5084 P CA 0.283 63.065 63.100 -0.529 0.000 0.862 5084 P CB 0.192 31.668 31.700 -0.374 0.000 1.369 5085 S N -2.244 113.179 115.700 -0.462 0.000 2.638 5085 S HA 0.513 4.699 4.470 -0.472 0.000 0.298 5085 S C -0.214 174.306 174.600 -0.133 0.000 1.111 5085 S CA -0.634 57.419 58.200 -0.244 0.000 1.027 5085 S CB 1.219 64.296 63.200 -0.205 0.000 1.064 5085 S HN 0.329 nan 8.310 nan 0.000 0.525 5086 S N 0.629 116.269 115.700 -0.100 0.000 2.562 5086 S HA 0.274 4.461 4.470 -0.472 0.000 0.275 5086 S C 1.022 175.592 174.600 -0.050 0.000 1.281 5086 S CA -0.602 57.557 58.200 -0.069 0.000 1.045 5086 S CB 0.017 63.184 63.200 -0.055 0.000 0.962 5086 S HN 0.725 nan 8.310 nan 0.000 0.503 5087 N N 3.839 122.516 118.700 -0.039 0.000 2.027 5087 N HA -0.202 4.255 4.740 -0.472 0.000 0.200 5087 N C 2.062 177.543 175.510 -0.048 0.000 1.042 5087 N CA 2.104 55.133 53.050 -0.034 0.000 0.871 5087 N CB -0.980 37.488 38.487 -0.032 0.000 1.063 5087 N HN 0.795 nan 8.380 nan 0.000 0.438 5088 A N 1.221 124.010 122.820 -0.051 0.000 1.827 5088 A HA -0.261 3.775 4.320 -0.472 0.000 0.262 5088 A C 1.003 178.534 177.584 -0.087 0.000 2.408 5088 A CA 2.205 54.204 52.037 -0.063 0.000 0.827 5088 A CB -1.687 17.275 19.000 -0.063 0.000 0.840 5088 A HN 0.487 nan 8.150 nan 0.000 0.513 5089 I N -1.370 119.146 120.570 -0.090 0.000 2.268 5089 I HA 0.544 4.431 4.170 -0.472 0.000 0.290 5089 I C 0.462 176.584 176.117 0.008 0.000 1.125 5089 I CA -0.121 61.150 61.300 -0.049 0.000 1.236 5089 I CB -0.053 37.861 38.000 -0.143 0.000 1.469 5089 I HN 0.211 nan 8.210 nan 0.000 0.512 5090 G N 5.327 114.084 108.800 -0.071 0.000 2.319 5090 G HA2 0.461 4.138 3.960 -0.472 0.000 0.308 5090 G HA3 0.461 4.138 3.960 -0.472 0.000 0.308 5090 G C 0.355 175.313 174.900 0.097 0.000 1.117 5090 G CA -0.573 44.530 45.100 0.006 0.000 0.903 5090 G HN 0.639 nan 8.290 nan 0.000 0.436 5091 L N 0.652 122.023 121.223 0.247 0.000 4.839 5091 L HA -0.225 3.832 4.340 -0.472 0.000 0.445 5091 L C 1.143 178.327 176.870 0.524 0.000 1.101 5091 L CA 1.241 56.235 54.840 0.257 0.000 0.952 5091 L CB -2.226 39.826 42.059 -0.011 0.000 1.871 5091 L HN 0.832 nan 8.230 nan 0.000 0.893 5092 H N -1.284 117.987 119.070 0.335 0.000 2.615 5092 H HA 0.221 4.493 4.556 -0.474 0.000 0.363 5092 H C 0.088 175.655 175.328 0.399 0.000 1.148 5092 H CA -0.382 55.842 56.048 0.294 0.000 1.401 5092 H CB 0.540 30.408 29.762 0.176 0.000 1.461 5092 H HN 0.157 nan 8.280 nan 0.000 0.588 5093 F N 4.012 124.125 119.950 0.271 0.000 2.411 5093 F HA 0.105 4.354 4.527 -0.464 0.000 0.355 5093 F C -0.841 175.051 175.800 0.153 0.000 1.117 5093 F CA -0.595 57.532 58.000 0.210 0.000 1.139 5093 F CB 0.381 39.503 39.000 0.203 0.000 1.120 5093 F HN 0.545 nan 8.300 nan 0.000 0.493 5094 Y N 9.204 129.759 120.300 0.425 0.000 2.841 5094 Y HA 0.321 4.587 4.550 -0.474 0.000 0.329 5094 Y C -2.151 173.745 175.900 -0.007 0.000 1.062 5094 Y CA -2.818 55.351 58.100 0.116 0.000 1.281 5094 Y CB 0.510 38.998 38.460 0.046 0.000 1.147 5094 Y HN 0.368 nan 8.280 nan 0.000 0.521 5095 P HA 0.036 nan 4.420 nan 0.000 0.282 5095 P C 1.121 177.791 177.300 -1.050 0.000 1.274 5095 P CA 0.123 62.553 63.100 -1.117 0.000 0.770 5095 P CB 1.724 32.194 31.700 -2.050 0.000 0.867 5096 I N 3.267 123.375 120.570 -0.771 0.000 2.450 5096 I HA -0.247 3.640 4.170 -0.472 0.000 0.260 5096 I C 1.030 176.740 176.117 -0.679 0.000 1.145 5096 I CA 1.617 62.262 61.300 -1.092 0.000 1.413 5096 I CB -0.041 37.134 38.000 -1.375 0.000 1.090 5096 I HN 0.432 nan 8.210 nan 0.000 0.445 5097 W N 0.480 121.578 121.300 -0.337 0.000 3.292 5097 W HA 0.205 4.582 4.660 -0.472 0.000 0.263 5097 W C 1.660 178.089 176.519 -0.149 0.000 1.318 5097 W CA -0.363 56.843 57.345 -0.231 0.000 1.663 5097 W CB -0.599 28.756 29.460 -0.176 0.000 1.114 5097 W HN -0.035 nan 8.180 nan 0.000 0.706 5098 E N 1.868 121.949 120.200 -0.198 0.000 2.035 5098 E HA 0.103 4.170 4.350 -0.472 0.000 0.191 5098 E C 1.052 177.698 176.600 0.076 0.000 0.966 5098 E CA 0.912 57.303 56.400 -0.016 0.000 0.823 5098 E CB -1.116 28.595 29.700 0.019 0.000 0.791 5098 E HN 0.089 nan 8.360 nan 0.000 0.459 5099 A N 1.743 124.604 122.820 0.067 0.000 2.558 5099 A HA 0.047 4.084 4.320 -0.472 0.000 0.262 5099 A C 1.284 178.929 177.584 0.102 0.000 1.049 5099 A CA 0.809 52.962 52.037 0.193 0.000 0.804 5099 A CB -0.253 18.892 19.000 0.243 0.000 0.957 5099 A HN 0.288 nan 8.150 nan 0.000 0.520 5100 A N 2.836 125.719 122.820 0.106 0.000 2.298 5100 A HA 0.237 4.274 4.320 -0.472 0.000 0.215 5100 A C 1.173 178.789 177.584 0.053 0.000 1.193 5100 A CA 1.515 53.592 52.037 0.067 0.000 0.697 5100 A CB -0.733 18.303 19.000 0.060 0.000 0.774 5100 A HN 2.227 nan 8.150 nan 0.000 0.492 5101 S N -2.673 113.067 115.700 0.067 0.000 2.542 5101 S HA 0.458 4.644 4.470 -0.472 0.000 0.276 5101 S C 0.249 174.899 174.600 0.083 0.000 1.148 5101 S CA -0.637 57.598 58.200 0.058 0.000 0.886 5101 S CB 0.493 63.732 63.200 0.066 0.000 1.109 5101 S HN -0.007 nan 8.310 nan 0.000 0.458 5102 L N 1.841 123.094 121.223 0.049 0.000 2.127 5102 L HA -0.085 3.972 4.340 -0.472 0.000 0.211 5102 L C 1.519 178.518 176.870 0.216 0.000 1.089 5102 L CA 2.185 57.070 54.840 0.075 0.000 0.757 5102 L CB -1.617 40.450 42.059 0.013 0.000 0.899 5102 L HN 0.851 nan 8.230 nan 0.000 0.434 5103 D N -1.017 119.479 120.400 0.160 0.000 2.263 5103 D HA -0.198 4.159 4.640 -0.472 0.000 0.208 5103 D C 2.047 178.474 176.300 0.211 0.000 0.971 5103 D CA 0.821 54.923 54.000 0.172 0.000 0.867 5103 D CB 0.139 41.011 40.800 0.120 0.000 0.929 5103 D HN 0.453 nan 8.370 nan 0.000 0.492 5104 E N -0.421 119.909 120.200 0.217 0.000 2.008 5104 E HA -0.178 3.889 4.350 -0.472 0.000 0.191 5104 E C 1.710 178.530 176.600 0.366 0.000 0.986 5104 E CA 0.585 57.132 56.400 0.246 0.000 0.807 5104 E CB -0.250 29.587 29.700 0.228 0.000 0.766 5104 E HN 0.342 nan 8.360 nan 0.000 0.450 5105 W N 1.748 123.134 121.300 0.143 0.000 2.279 5105 W HA -0.275 4.100 4.660 -0.475 0.000 0.298 5105 W C 1.768 178.373 176.519 0.143 0.000 1.228 5105 W CA 1.937 59.330 57.345 0.080 0.000 1.230 5105 W CB -0.296 29.079 29.460 -0.142 0.000 1.138 5105 W HN 0.155 nan 8.180 nan 0.000 0.532 5106 L N -1.681 119.690 121.223 0.246 0.000 2.023 5106 L HA -0.230 3.826 4.340 -0.472 0.000 0.205 5106 L C 2.357 179.251 176.870 0.039 0.000 1.073 5106 L CA 1.616 56.497 54.840 0.069 0.000 0.745 5106 L CB -1.555 40.585 42.059 0.135 0.000 0.900 5106 L HN -0.053 nan 8.230 nan 0.000 0.435 5107 Y N 1.615 121.923 120.300 0.014 0.000 2.081 5107 Y HA -0.300 3.966 4.550 -0.472 0.000 0.280 5107 Y C 2.404 178.279 175.900 -0.042 0.000 1.163 5107 Y CA 1.898 59.987 58.100 -0.018 0.000 1.135 5107 Y CB -0.194 38.270 38.460 0.005 0.000 0.970 5107 Y HN 0.261 nan 8.280 nan 0.000 0.498 5108 N N -0.155 118.672 118.700 0.211 0.000 2.571 5108 N HA -0.010 4.446 4.740 -0.472 0.000 0.189 5108 N C 1.172 176.659 175.510 -0.037 0.000 1.154 5108 N CA 1.048 54.141 53.050 0.072 0.000 0.907 5108 N CB -0.166 38.325 38.487 0.008 0.000 0.977 5108 N HN 0.547 nan 8.380 nan 0.000 0.449 5109 G N 0.814 109.546 108.800 -0.115 0.000 2.198 5109 G HA2 -0.306 3.370 3.960 -0.472 0.000 0.260 5109 G HA3 -0.306 3.370 3.960 -0.472 0.000 0.260 5109 G C 1.173 175.829 174.900 -0.406 0.000 1.025 5109 G CA 0.382 45.346 45.100 -0.228 0.000 0.769 5109 G HN 0.446 nan 8.290 nan 0.000 0.507 5110 G N 1.161 109.555 108.800 -0.676 0.000 2.545 5110 G HA2 -0.180 3.497 3.960 -0.472 0.000 0.222 5110 G HA3 -0.180 3.497 3.960 -0.472 0.000 0.222 5110 G C 0.423 174.438 174.900 -1.474 0.000 1.126 5110 G CA 1.779 46.077 45.100 -1.336 0.000 0.754 5110 G HN 0.597 nan 8.290 nan 0.000 0.583 5111 P HA -0.223 nan 4.420 nan 0.000 0.216 5111 P C 1.405 178.488 177.300 -0.362 0.000 1.150 5111 P CA 1.297 63.863 63.100 -0.889 0.000 0.843 5111 P CB -0.144 31.215 31.700 -0.568 0.000 0.787 5112 Y N 1.681 121.730 120.300 -0.418 0.000 1.979 5112 Y HA -0.307 3.962 4.550 -0.468 0.000 0.262 5112 Y C 2.772 178.463 175.900 -0.348 0.000 1.142 5112 Y CA 2.212 60.133 58.100 -0.298 0.000 1.096 5112 Y CB -1.373 36.933 38.460 -0.257 0.000 0.958 5112 Y HN -0.058 nan 8.280 nan 0.000 0.484 5113 Q N -0.484 119.244 119.800 -0.120 0.000 1.943 5113 Q HA -0.321 3.736 4.340 -0.472 0.000 0.213 5113 Q C 2.182 177.856 176.000 -0.544 0.000 1.017 5113 Q CA 2.164 57.585 55.803 -0.636 0.000 0.874 5113 Q CB -0.960 27.299 28.738 -0.798 0.000 0.960 5113 Q HN 0.578 nan 8.270 nan 0.000 0.417 5114 L N 0.736 121.832 121.223 -0.211 0.000 2.095 5114 L HA -0.303 3.753 4.340 -0.472 0.000 0.229 5114 L C 2.070 178.980 176.870 0.067 0.000 1.097 5114 L CA 2.002 56.873 54.840 0.052 0.000 0.813 5114 L CB -0.652 41.544 42.059 0.229 0.000 0.907 5114 L HN 0.314 nan 8.230 nan 0.000 0.445 5115 I N -1.285 119.241 120.570 -0.073 0.000 2.133 5115 I HA -0.283 3.604 4.170 -0.472 0.000 0.238 5115 I C 2.480 178.564 176.117 -0.056 0.000 1.074 5115 I CA 1.747 62.998 61.300 -0.082 0.000 1.342 5115 I CB -0.271 37.638 38.000 -0.153 0.000 1.053 5115 I HN 0.372 nan 8.210 nan 0.000 0.404 5116 I N 0.528 120.954 120.570 -0.240 0.000 2.248 5116 I HA -0.361 3.525 4.170 -0.472 0.000 0.248 5116 I C 2.300 178.553 176.117 0.227 0.000 1.107 5116 I CA 1.770 62.959 61.300 -0.185 0.000 1.373 5116 I CB -0.074 37.731 38.000 -0.324 0.000 1.055 5116 I HN 0.131 nan 8.210 nan 0.000 0.418 5117 F N -0.342 119.600 119.950 -0.012 0.000 2.163 5117 F HA -0.208 4.031 4.527 -0.480 0.000 0.297 5117 F C 2.421 178.226 175.800 0.009 0.000 1.094 5117 F CA 0.704 58.706 58.000 0.003 0.000 1.290 5117 F CB -0.488 38.498 39.000 -0.024 0.000 1.017 5117 F HN 0.173 nan 8.300 nan 0.000 0.483 5118 H N -0.649 118.543 119.070 0.203 0.000 2.321 5118 H HA -0.197 4.072 4.556 -0.478 0.000 0.300 5118 H C 1.767 177.142 175.328 0.078 0.000 1.087 5118 H CA 2.027 58.155 56.048 0.132 0.000 1.319 5118 H CB -0.644 29.188 29.762 0.116 0.000 1.379 5118 H HN 0.201 nan 8.280 nan 0.000 0.501 5119 F N 0.498 120.475 119.950 0.045 0.000 2.269 5119 F HA -0.110 4.353 4.527 -0.107 0.000 0.301 5119 F C 1.771 177.498 175.800 -0.122 0.000 1.082 5119 F CA 0.820 58.769 58.000 -0.085 0.000 1.360 5119 F CB -0.293 38.569 39.000 -0.232 0.000 1.041 5119 F HN 0.071 nan 8.300 nan 0.000 0.512 5120 L N 0.017 121.073 121.223 -0.278 0.000 1.993 5120 L HA -0.150 3.906 4.340 -0.472 0.000 0.206 5120 L C 2.631 179.293 176.870 -0.346 0.000 1.074 5120 L CA 1.697 56.224 54.840 -0.521 0.000 0.746 5120 L CB -0.924 40.964 42.059 -0.285 0.000 0.896 5120 L HN 0.350 nan 8.230 nan 0.000 0.435 5121 L N -1.265 119.912 121.223 -0.076 0.000 2.093 5121 L HA -0.007 4.050 4.340 -0.472 0.000 0.208 5121 L C 2.289 179.172 176.870 0.021 0.000 1.085 5121 L CA 1.772 56.635 54.840 0.039 0.000 0.755 5121 L CB -1.114 40.965 42.059 0.034 0.000 0.904 5121 L HN 0.168 nan 8.230 nan 0.000 0.435 5122 G N -0.094 108.695 108.800 -0.018 0.000 2.440 5122 G HA2 -0.253 3.424 3.960 -0.472 0.000 0.218 5122 G HA3 -0.253 3.424 3.960 -0.472 0.000 0.218 5122 G C 1.574 176.488 174.900 0.023 0.000 1.154 5122 G CA 0.748 45.865 45.100 0.030 0.000 0.767 5122 G HN 0.625 nan 8.290 nan 0.000 0.552 5123 A N 0.209 122.937 122.820 -0.154 0.000 2.167 5123 A HA 0.268 4.305 4.320 -0.472 0.000 0.214 5123 A C 2.539 180.241 177.584 0.197 0.000 1.151 5123 A CA 1.751 53.736 52.037 -0.086 0.000 0.735 5123 A CB -0.117 18.581 19.000 -0.503 0.000 0.802 5123 A HN 0.288 nan 8.150 nan 0.000 0.467 5124 S N -1.297 114.510 115.700 0.179 0.000 2.406 5124 S HA -0.112 4.075 4.470 -0.472 0.000 0.224 5124 S C 1.846 176.667 174.600 0.369 0.000 1.030 5124 S CA 0.882 59.289 58.200 0.344 0.000 0.958 5124 S CB -0.541 62.876 63.200 0.361 0.000 0.811 5124 S HN 0.703 nan 8.310 nan 0.000 0.489 5125 C N 0.886 120.381 119.300 0.325 0.000 2.401 5125 C HA -0.119 4.057 4.460 -0.472 0.000 0.276 5125 C C 2.353 177.584 174.990 0.402 0.000 1.233 5125 C CA 0.779 60.064 59.018 0.445 0.000 1.753 5125 C CB -1.244 26.660 27.740 0.273 0.000 2.029 5125 C HN 0.678 nan 8.230 nan 0.000 0.478 5126 Y N 1.041 121.407 120.300 0.110 0.000 2.114 5126 Y HA -0.254 4.006 4.550 -0.484 0.000 0.284 5126 Y C 2.535 178.343 175.900 -0.154 0.000 1.143 5126 Y CA 2.331 60.394 58.100 -0.061 0.000 1.135 5126 Y CB -0.704 37.639 38.460 -0.196 0.000 0.980 5126 Y HN 0.316 nan 8.280 nan 0.000 0.499 5127 M N 0.378 120.011 119.600 0.055 0.000 2.089 5127 M HA -0.153 4.044 4.480 -0.472 0.000 0.257 5127 M C 2.077 178.388 176.300 0.018 0.000 1.071 5127 M CA 2.440 57.831 55.300 0.151 0.000 1.096 5127 M CB -1.219 31.710 32.600 0.548 0.000 1.330 5127 M HN 0.272 nan 8.290 nan 0.000 0.403 5128 G N -0.649 108.156 108.800 0.009 0.000 2.616 5128 G HA2 -0.195 3.482 3.960 -0.472 0.000 0.215 5128 G HA3 -0.195 3.482 3.960 -0.472 0.000 0.215 5128 G C 1.407 175.979 174.900 -0.546 0.000 1.284 5128 G CA 0.460 45.203 45.100 -0.594 0.000 0.823 5128 G HN 0.503 nan 8.290 nan 0.000 0.569 5129 R N 1.026 121.391 120.500 -0.225 0.000 2.416 5129 R HA -0.051 4.006 4.340 -0.472 0.000 0.205 5129 R C 2.070 178.289 176.300 -0.134 0.000 1.150 5129 R CA 0.856 56.962 56.100 0.010 0.000 1.139 5129 R CB -0.190 30.215 30.300 0.175 0.000 0.861 5129 R HN 0.569 nan 8.270 nan 0.000 0.480 5130 Q N -1.352 118.310 119.800 -0.230 0.000 2.352 5130 Q HA -0.064 3.993 4.340 -0.472 0.000 0.212 5130 Q C 1.265 177.200 176.000 -0.108 0.000 0.888 5130 Q CA 0.331 55.922 55.803 -0.354 0.000 0.934 5130 Q CB 0.102 28.553 28.738 -0.477 0.000 1.093 5130 Q HN 0.527 nan 8.270 nan 0.000 0.523 5131 W N -0.412 120.760 121.300 -0.212 0.000 2.975 5131 W HA 0.349 4.721 4.660 -0.480 0.000 0.316 5131 W C 0.803 177.279 176.519 -0.071 0.000 1.131 5131 W CA -0.192 57.076 57.345 -0.128 0.000 1.624 5131 W CB 0.547 29.932 29.460 -0.125 0.000 1.038 5131 W HN 0.023 nan 8.180 nan 0.000 0.571 5132 E N 0.716 120.725 120.200 -0.319 0.000 2.463 5132 E HA -0.169 3.897 4.350 -0.472 0.000 0.201 5132 E C 1.435 177.704 176.600 -0.553 0.000 1.045 5132 E CA 0.723 56.818 56.400 -0.509 0.000 0.872 5132 E CB 0.040 29.918 29.700 0.296 0.000 0.797 5132 E HN 0.281 nan 8.360 nan 0.000 0.538 5133 L N -1.037 119.862 121.223 -0.541 0.000 2.537 5133 L HA 0.064 4.121 4.340 -0.472 0.000 0.224 5133 L C 1.919 178.492 176.870 -0.495 0.000 1.065 5133 L CA 0.771 55.299 54.840 -0.519 0.000 0.860 5133 L CB 0.256 42.090 42.059 -0.375 0.000 1.086 5133 L HN -0.091 nan 8.230 nan 0.000 0.482 5134 S N -1.170 114.189 115.700 -0.568 0.000 2.440 5134 S HA -0.200 3.987 4.470 -0.472 0.000 0.238 5134 S C 1.573 175.904 174.600 -0.448 0.000 1.010 5134 S CA 1.441 59.355 58.200 -0.476 0.000 0.972 5134 S CB -0.247 62.669 63.200 -0.474 0.000 0.774 5134 S HN 0.493 nan 8.310 nan 0.000 0.501 5135 Y N 1.278 121.089 120.300 -0.814 0.000 2.576 5135 Y HA 0.357 4.623 4.550 -0.473 0.000 0.282 5135 Y C 1.761 177.437 175.900 -0.372 0.000 1.139 5135 Y CA 0.163 57.956 58.100 -0.512 0.000 1.265 5135 Y CB -0.242 37.934 38.460 -0.473 0.000 1.376 5135 Y HN -0.125 nan 8.280 nan 0.000 0.511 5136 R N 1.028 121.196 120.500 -0.552 0.000 2.397 5136 R HA 0.073 4.130 4.340 -0.472 0.000 0.213 5136 R C -0.835 175.183 176.300 -0.469 0.000 1.102 5136 R CA 0.749 56.538 56.100 -0.519 0.000 1.040 5136 R CB -0.762 29.243 30.300 -0.493 0.000 0.844 5136 R HN 0.240 nan 8.270 nan 0.000 0.478 5137 L N -0.509 120.452 121.223 -0.436 0.000 2.504 5137 L HA 0.358 4.414 4.340 -0.472 0.000 0.265 5137 L C 0.104 176.810 176.870 -0.274 0.000 0.975 5137 L CA -1.034 53.612 54.840 -0.323 0.000 0.864 5137 L CB 2.015 43.898 42.059 -0.293 0.000 1.212 5137 L HN 0.011 nan 8.230 nan 0.000 0.416 5138 G N 5.515 114.174 108.800 -0.234 0.000 2.178 5138 G HA2 0.261 3.937 3.960 -0.472 0.000 0.276 5138 G HA3 0.261 3.937 3.960 -0.472 0.000 0.276 5138 G C -0.080 174.743 174.900 -0.128 0.000 1.038 5138 G CA 0.282 45.282 45.100 -0.167 0.000 1.177 5138 G HN 0.708 nan 8.290 nan 0.000 0.396 5139 M N 1.282 120.807 119.600 -0.125 0.000 2.447 5139 M HA 0.357 4.554 4.480 -0.472 0.000 0.292 5139 M C -0.555 175.662 176.300 -0.139 0.000 1.083 5139 M CA -1.067 54.168 55.300 -0.109 0.000 0.907 5139 M CB 1.238 33.774 32.600 -0.106 0.000 1.829 5139 M HN 0.300 nan 8.290 nan 0.000 0.518 5140 R N 3.121 123.535 120.500 -0.144 0.000 2.560 5140 R HA -0.011 4.046 4.340 -0.472 0.000 0.296 5140 R C -1.557 174.572 176.300 -0.286 0.000 0.873 5140 R CA -0.118 55.815 56.100 -0.279 0.000 1.140 5140 R CB -0.091 30.097 30.300 -0.187 0.000 0.875 5140 R HN 0.502 nan 8.270 nan 0.000 0.419 5141 P HA -0.124 nan 4.420 nan 0.000 0.229 5141 P C 0.120 177.409 177.300 -0.019 0.000 1.160 5141 P CA 0.827 63.822 63.100 -0.174 0.000 0.777 5141 P CB 0.221 31.945 31.700 0.040 0.000 0.814 5142 W N 0.536 121.945 121.300 0.183 0.000 3.378 5142 W HA 0.073 4.445 4.660 -0.479 0.000 0.314 5142 W C 1.463 178.073 176.519 0.152 0.000 1.275 5142 W CA -0.556 56.895 57.345 0.177 0.000 1.624 5142 W CB -1.068 28.496 29.460 0.173 0.000 0.974 5142 W HN 0.012 nan 8.180 nan 0.000 0.762 5143 I N 0.571 121.293 120.570 0.253 0.000 2.296 5143 I HA -0.224 3.662 4.170 -0.472 0.000 0.242 5143 I C 2.555 178.800 176.117 0.214 0.000 1.087 5143 I CA 1.328 62.736 61.300 0.180 0.000 1.393 5143 I CB -1.425 36.619 38.000 0.074 0.000 1.093 5143 I HN 0.104 nan 8.210 nan 0.000 0.421 5144 C N -0.084 119.343 119.300 0.212 0.000 2.409 5144 C HA -0.054 4.123 4.460 -0.472 0.000 0.284 5144 C C 2.686 177.881 174.990 0.341 0.000 1.354 5144 C CA -0.013 59.151 59.018 0.242 0.000 1.787 5144 C CB -1.739 26.124 27.740 0.206 0.000 1.900 5144 C HN 0.298 nan 8.230 nan 0.000 0.520 5145 V N 1.523 121.649 119.914 0.353 0.000 2.548 5145 V HA -0.033 3.804 4.120 -0.472 0.000 0.249 5145 V C 3.011 179.307 176.094 0.337 0.000 1.055 5145 V CA 2.036 64.560 62.300 0.373 0.000 1.065 5145 V CB -0.834 31.240 31.823 0.418 0.000 0.681 5145 V HN 0.722 nan 8.190 nan 0.000 0.462 5146 A N -1.710 121.260 122.820 0.250 0.000 2.123 5146 A HA -0.116 3.921 4.320 -0.472 0.000 0.214 5146 A C 1.913 179.561 177.584 0.107 0.000 1.152 5146 A CA 0.708 52.804 52.037 0.099 0.000 0.728 5146 A CB -0.565 18.480 19.000 0.074 0.000 0.814 5146 A HN 0.677 nan 8.150 nan 0.000 0.464 5147 Y N 1.265 121.635 120.300 0.117 0.000 2.502 5147 Y HA -0.008 4.230 4.550 -0.520 0.000 0.295 5147 Y C 2.208 178.216 175.900 0.180 0.000 1.193 5147 Y CA 0.710 58.891 58.100 0.135 0.000 1.295 5147 Y CB -0.063 38.499 38.460 0.170 0.000 1.059 5147 Y HN 0.427 nan 8.280 nan 0.000 0.514 5148 S N -0.415 115.381 115.700 0.159 0.000 2.371 5148 S HA -0.080 4.106 4.470 -0.472 0.000 0.221 5148 S C 2.320 177.076 174.600 0.260 0.000 1.036 5148 S CA 0.551 58.936 58.200 0.309 0.000 0.965 5148 S CB -0.934 62.684 63.200 0.696 0.000 0.845 5148 S HN 0.429 nan 8.310 nan 0.000 0.475 5149 A N 3.607 126.394 122.820 -0.056 0.000 1.958 5149 A HA -0.041 3.996 4.320 -0.472 0.000 0.221 5149 A C 0.408 177.895 177.584 -0.162 0.000 1.178 5149 A CA 1.859 53.675 52.037 -0.368 0.000 0.642 5149 A CB -1.623 16.995 19.000 -0.638 0.000 0.816 5149 A HN 0.655 nan 8.150 nan 0.000 0.453 5150 P HA -0.033 nan 4.420 nan 0.000 0.209 5150 P C 1.801 178.924 177.300 -0.295 0.000 1.196 5150 P CA 0.816 63.742 63.100 -0.290 0.000 0.906 5150 P CB -0.315 31.155 31.700 -0.382 0.000 0.754 5151 L N 0.645 121.516 121.223 -0.587 0.000 1.976 5151 L HA -0.235 3.822 4.340 -0.472 0.000 0.223 5151 L C 2.534 179.458 176.870 0.089 0.000 1.081 5151 L CA 2.718 57.410 54.840 -0.247 0.000 0.784 5151 L CB -1.852 40.150 42.059 -0.096 0.000 0.896 5151 L HN 0.031 nan 8.230 nan 0.000 0.438 5152 A N -0.989 121.934 122.820 0.172 0.000 1.873 5152 A HA -0.361 3.676 4.320 -0.472 0.000 0.219 5152 A C 2.341 180.043 177.584 0.198 0.000 1.269 5152 A CA 3.265 55.448 52.037 0.244 0.000 0.671 5152 A CB -1.571 17.529 19.000 0.166 0.000 0.842 5152 A HN 0.651 nan 8.150 nan 0.000 0.460 5153 S N -0.167 115.584 115.700 0.085 0.000 2.381 5153 S HA -0.227 3.959 4.470 -0.472 0.000 0.230 5153 S C 2.252 176.855 174.600 0.005 0.000 1.052 5153 S CA 1.825 60.032 58.200 0.012 0.000 1.068 5153 S CB -0.773 62.399 63.200 -0.046 0.000 0.918 5153 S HN 0.997 nan 8.310 nan 0.000 0.448 5154 A N 0.521 123.357 122.820 0.026 0.000 1.940 5154 A HA -0.075 3.962 4.320 -0.472 0.000 0.219 5154 A C 1.884 179.538 177.584 0.116 0.000 1.176 5154 A CA 1.426 53.487 52.037 0.039 0.000 0.631 5154 A CB -0.798 18.295 19.000 0.155 0.000 0.814 5154 A HN 0.448 nan 8.150 nan 0.000 0.446 5155 F N 0.028 120.042 119.950 0.107 0.000 2.146 5155 F HA -0.017 4.392 4.527 -0.196 0.000 0.298 5155 F C 2.758 178.605 175.800 0.078 0.000 1.096 5155 F CA 0.834 58.915 58.000 0.135 0.000 1.275 5155 F CB -0.598 38.444 39.000 0.071 0.000 1.008 5155 F HN 0.248 nan 8.300 nan 0.000 0.480 5156 A N -1.047 121.906 122.820 0.222 0.000 2.032 5156 A HA -0.147 3.890 4.320 -0.472 0.000 0.221 5156 A C 2.128 179.736 177.584 0.039 0.000 1.165 5156 A CA 1.840 53.930 52.037 0.089 0.000 0.645 5156 A CB -0.925 18.077 19.000 0.003 0.000 0.807 5156 A HN 0.231 nan 8.150 nan 0.000 0.453 5157 V N -2.305 117.567 119.914 -0.070 0.000 3.578 5157 V HA 0.274 4.111 4.120 -0.472 0.000 0.290 5157 V C 0.943 176.849 176.094 -0.315 0.000 1.376 5157 V CA 0.430 62.582 62.300 -0.246 0.000 1.083 5157 V CB -0.420 31.130 31.823 -0.454 0.000 0.911 5157 V HN 0.634 nan 8.190 nan 0.000 0.433 5158 F N -2.110 117.931 119.950 0.150 0.000 2.784 5158 F HA 0.226 4.415 4.527 -0.563 0.000 0.316 5158 F C 1.317 177.299 175.800 0.303 0.000 1.026 5158 F CA 0.129 58.259 58.000 0.216 0.000 1.188 5158 F CB 1.017 40.126 39.000 0.183 0.000 0.999 5158 F HN 0.180 nan 8.300 nan 0.000 0.605 5159 L N -0.654 120.838 121.223 0.448 0.000 2.638 5159 L HA 0.309 4.365 4.340 -0.472 0.000 0.195 5159 L C 1.620 178.575 176.870 0.142 0.000 1.065 5159 L CA 1.002 56.032 54.840 0.316 0.000 0.859 5159 L CB -0.741 41.539 42.059 0.368 0.000 1.269 5159 L HN -0.128 nan 8.230 nan 0.000 0.484 5160 I N -0.128 120.531 120.570 0.148 0.000 2.076 5160 I HA -0.305 3.582 4.170 -0.472 0.000 0.237 5160 I C 2.391 178.514 176.117 0.010 0.000 1.059 5160 I CA 1.911 63.250 61.300 0.065 0.000 1.317 5160 I CB -1.200 36.850 38.000 0.083 0.000 1.037 5160 I HN 0.327 nan 8.210 nan 0.000 0.398 5161 Y N 1.504 121.769 120.300 -0.058 0.000 2.151 5161 Y HA -0.205 4.059 4.550 -0.476 0.000 0.284 5161 Y C -0.438 175.390 175.900 -0.120 0.000 1.166 5161 Y CA 1.639 59.697 58.100 -0.071 0.000 1.163 5161 Y CB -1.951 36.582 38.460 0.122 0.000 0.974 5161 Y HN 0.196 nan 8.280 nan 0.000 0.511 5162 P HA -0.180 nan 4.420 nan 0.000 0.215 5162 P C 1.714 178.789 177.300 -0.375 0.000 1.157 5162 P CA 2.439 65.357 63.100 -0.303 0.000 0.863 5162 P CB -0.175 31.292 31.700 -0.389 0.000 0.787 5163 I N -1.641 118.759 120.570 -0.284 0.000 2.493 5163 I HA -0.118 3.769 4.170 -0.472 0.000 0.254 5163 I C 2.346 178.337 176.117 -0.209 0.000 1.160 5163 I CA 1.311 62.488 61.300 -0.204 0.000 1.445 5163 I CB -1.479 36.470 38.000 -0.086 0.000 1.086 5163 I HN -0.025 nan 8.210 nan 0.000 0.433 5164 G N 0.469 109.069 108.800 -0.334 0.000 2.736 5164 G HA2 -0.171 3.505 3.960 -0.472 0.000 0.214 5164 G HA3 -0.171 3.505 3.960 -0.472 0.000 0.214 5164 G C 0.877 175.559 174.900 -0.362 0.000 1.327 5164 G CA 0.465 45.261 45.100 -0.507 0.000 0.818 5164 G HN 0.235 nan 8.290 nan 0.000 0.611 5165 Q N -0.517 119.003 119.800 -0.467 0.000 2.677 5165 Q HA 0.424 4.481 4.340 -0.472 0.000 0.187 5165 Q C 1.958 177.810 176.000 -0.247 0.000 1.146 5165 Q CA 0.634 56.219 55.803 -0.363 0.000 1.224 5165 Q CB -0.467 27.980 28.738 -0.486 0.000 1.268 5165 Q HN 0.253 nan 8.270 nan 0.000 0.674 5166 G N -0.665 108.024 108.800 -0.184 0.000 2.587 5166 G HA2 -0.136 3.541 3.960 -0.472 0.000 0.217 5166 G HA3 -0.136 3.541 3.960 -0.472 0.000 0.217 5166 G C 0.406 175.221 174.900 -0.141 0.000 1.240 5166 G CA 1.174 46.197 45.100 -0.129 0.000 0.794 5166 G HN 0.463 nan 8.290 nan 0.000 0.580 5167 S N -2.747 112.870 115.700 -0.139 0.000 2.671 5167 S HA 0.464 4.651 4.470 -0.472 0.000 0.277 5167 S C 0.378 174.913 174.600 -0.109 0.000 1.165 5167 S CA -0.653 57.473 58.200 -0.123 0.000 0.822 5167 S CB 0.388 63.591 63.200 0.006 0.000 1.150 5167 S HN 0.114 nan 8.310 nan 0.000 0.479 5168 F N 1.847 121.774 119.950 -0.039 0.000 2.440 5168 F HA -0.095 4.141 4.527 -0.484 0.000 0.297 5168 F C 2.518 178.228 175.800 -0.150 0.000 1.077 5168 F CA 1.072 59.031 58.000 -0.068 0.000 1.462 5168 F CB -0.671 38.274 39.000 -0.090 0.000 1.101 5168 F HN 0.448 nan 8.300 nan 0.000 0.584 5169 S N -0.680 115.041 115.700 0.035 0.000 2.423 5169 S HA -0.238 3.949 4.470 -0.472 0.000 0.238 5169 S C 0.561 175.171 174.600 0.017 0.000 1.028 5169 S CA 1.682 59.873 58.200 -0.015 0.000 1.000 5169 S CB -0.393 62.800 63.200 -0.012 0.000 0.797 5169 S HN 0.434 nan 8.310 nan 0.000 0.487 5170 D N 0.134 120.568 120.400 0.057 0.000 2.795 5170 D HA 0.426 4.783 4.640 -0.472 0.000 0.335 5170 D C -0.005 176.440 176.300 0.241 0.000 1.262 5170 D CA -0.036 54.076 54.000 0.188 0.000 0.885 5170 D CB 0.776 41.701 40.800 0.209 0.000 1.047 5170 D HN 0.230 nan 8.370 nan 0.000 0.500 5171 G N 1.470 110.331 108.800 0.102 0.000 3.678 5171 G HA2 0.327 4.004 3.960 -0.472 0.000 0.344 5171 G HA3 0.327 4.004 3.960 -0.472 0.000 0.344 5171 G C 0.350 175.195 174.900 -0.091 0.000 1.450 5171 G CA -0.964 44.187 45.100 0.086 0.000 1.078 5171 G HN 0.313 nan 8.290 nan 0.000 0.474 5172 M N 3.016 122.042 119.600 -0.956 0.000 3.807 5172 M HA -0.113 4.084 4.480 -0.472 0.000 0.158 5172 M C -1.805 174.430 176.300 -0.108 0.000 1.499 5172 M CA -0.055 54.575 55.300 -1.116 0.000 1.025 5172 M CB -0.532 31.307 32.600 -1.268 0.000 1.331 5172 M HN 0.309 nan 8.290 nan 0.000 0.387 5173 P HA 0.002 nan 4.420 nan 0.000 0.267 5173 P C -0.585 176.794 177.300 0.132 0.000 1.201 5173 P CA 0.253 63.477 63.100 0.206 0.000 0.775 5173 P CB 0.259 32.034 31.700 0.125 0.000 0.854 5174 L N 0.932 122.219 121.223 0.107 0.000 2.399 5174 L HA 0.658 4.715 4.340 -0.472 0.000 0.257 5174 L C 0.858 177.686 176.870 -0.070 0.000 1.236 5174 L CA -0.232 54.608 54.840 -0.000 0.000 1.144 5174 L CB -0.549 41.455 42.059 -0.092 0.000 1.379 5174 L HN 0.399 nan 8.230 nan 0.000 0.414 5175 G N 0.558 109.295 108.800 -0.105 0.000 2.684 5175 G HA2 0.544 4.220 3.960 -0.472 0.000 0.290 5175 G HA3 0.544 4.220 3.960 -0.472 0.000 0.290 5175 G C 0.286 175.040 174.900 -0.244 0.000 1.425 5175 G CA -0.757 44.241 45.100 -0.171 0.000 0.822 5175 G HN 0.267 nan 8.290 nan 0.000 0.482 5176 I N 0.165 120.574 120.570 -0.269 0.000 2.162 5176 I HA -0.112 3.775 4.170 -0.472 0.000 0.238 5176 I C 2.781 178.228 176.117 -1.116 0.000 1.076 5176 I CA 1.420 62.449 61.300 -0.451 0.000 1.353 5176 I CB -0.305 37.585 38.000 -0.182 0.000 1.063 5176 I HN 0.406 nan 8.210 nan 0.000 0.408 5177 S N 0.985 116.260 115.700 -0.709 0.000 2.371 5177 S HA -0.070 4.117 4.470 -0.472 0.000 0.224 5177 S C 2.154 176.532 174.600 -0.370 0.000 1.029 5177 S CA 1.197 59.032 58.200 -0.609 0.000 0.978 5177 S CB -0.750 62.449 63.200 -0.003 0.000 0.833 5177 S HN 0.633 nan 8.310 nan 0.000 0.466 5178 G N 1.468 110.143 108.800 -0.208 0.000 2.499 5178 G HA2 -0.231 3.446 3.960 -0.472 0.000 0.221 5178 G HA3 -0.231 3.446 3.960 -0.472 0.000 0.221 5178 G C 1.328 176.222 174.900 -0.011 0.000 1.109 5178 G CA 1.613 46.682 45.100 -0.052 0.000 0.749 5178 G HN 0.474 nan 8.290 nan 0.000 0.568 5179 T N 1.526 115.962 114.554 -0.197 0.000 2.564 5179 T HA -0.103 3.964 4.350 -0.472 0.000 0.259 5179 T C 1.970 176.750 174.700 0.134 0.000 1.087 5179 T CA 1.396 63.462 62.100 -0.055 0.000 1.184 5179 T CB -0.482 68.227 68.868 -0.265 0.000 0.864 5179 T HN 0.181 nan 8.240 nan 0.000 0.403 5180 F N 2.639 122.642 119.950 0.088 0.000 2.063 5180 F HA -0.232 4.013 4.527 -0.470 0.000 0.297 5180 F C 2.391 178.224 175.800 0.055 0.000 1.099 5180 F CA 0.905 58.934 58.000 0.048 0.000 1.220 5180 F CB -1.820 37.202 39.000 0.036 0.000 0.972 5180 F HN 0.195 nan 8.300 nan 0.000 0.487 5181 N N 0.659 119.511 118.700 0.253 0.000 1.997 5181 N HA -0.297 4.160 4.740 -0.472 0.000 0.198 5181 N C 1.883 177.503 175.510 0.183 0.000 1.063 5181 N CA 1.938 55.101 53.050 0.188 0.000 0.860 5181 N CB -1.164 37.420 38.487 0.161 0.000 1.063 5181 N HN 0.218 nan 8.380 nan 0.000 0.424 5182 F N 0.925 120.931 119.950 0.093 0.000 2.141 5182 F HA -0.219 4.029 4.527 -0.465 0.000 0.300 5182 F C 2.346 178.212 175.800 0.110 0.000 1.079 5182 F CA 1.688 59.754 58.000 0.110 0.000 1.264 5182 F CB -0.452 38.600 39.000 0.087 0.000 1.011 5182 F HN 0.156 nan 8.300 nan 0.000 0.487 5183 M N 0.191 119.684 119.600 -0.178 0.000 2.091 5183 M HA -0.231 3.966 4.480 -0.472 0.000 0.259 5183 M C 2.297 178.468 176.300 -0.215 0.000 1.076 5183 M CA 2.379 57.492 55.300 -0.312 0.000 1.111 5183 M CB -0.729 31.839 32.600 -0.054 0.000 1.291 5183 M HN 0.170 nan 8.290 nan 0.000 0.417 5184 I N -0.310 120.221 120.570 -0.064 0.000 2.113 5184 I HA -0.352 3.535 4.170 -0.472 0.000 0.242 5184 I C 2.373 178.463 176.117 -0.045 0.000 1.064 5184 I CA 1.529 62.807 61.300 -0.036 0.000 1.320 5184 I CB -0.974 37.038 38.000 0.020 0.000 1.028 5184 I HN 0.140 nan 8.210 nan 0.000 0.406 5185 V N 1.024 120.922 119.914 -0.028 0.000 2.223 5185 V HA -0.393 3.444 4.120 -0.472 0.000 0.253 5185 V C 2.287 178.335 176.094 -0.077 0.000 1.061 5185 V CA 2.653 64.919 62.300 -0.056 0.000 1.035 5185 V CB -0.850 30.998 31.823 0.042 0.000 0.653 5185 V HN 0.309 nan 8.190 nan 0.000 0.454 5186 F N 0.209 120.024 119.950 -0.225 0.000 2.045 5186 F HA -0.371 3.874 4.527 -0.471 0.000 0.297 5186 F C 2.675 178.399 175.800 -0.126 0.000 1.114 5186 F CA 2.464 60.357 58.000 -0.178 0.000 1.207 5186 F CB -0.330 38.384 39.000 -0.476 0.000 0.964 5186 F HN 0.180 nan 8.300 nan 0.000 0.486 5187 Q N 0.466 120.322 119.800 0.094 0.000 2.443 5187 Q HA -0.142 3.914 4.340 -0.472 0.000 0.213 5187 Q C 1.428 177.419 176.000 -0.015 0.000 0.982 5187 Q CA 1.395 57.203 55.803 0.010 0.000 0.894 5187 Q CB -0.373 28.318 28.738 -0.078 0.000 0.947 5187 Q HN 0.455 nan 8.270 nan 0.000 0.480 5188 A N -0.738 122.048 122.820 -0.056 0.000 2.140 5188 A HA 0.098 4.134 4.320 -0.472 0.000 0.209 5188 A C 1.524 179.009 177.584 -0.164 0.000 1.181 5188 A CA 0.364 52.339 52.037 -0.103 0.000 0.824 5188 A CB 0.161 19.079 19.000 -0.136 0.000 0.879 5188 A HN 0.380 nan 8.150 nan 0.000 0.480 5189 E N -0.321 119.745 120.200 -0.223 0.000 2.415 5189 E HA 0.088 4.155 4.350 -0.472 0.000 0.197 5189 E C -0.523 175.720 176.600 -0.596 0.000 1.007 5189 E CA 0.353 56.511 56.400 -0.403 0.000 0.890 5189 E CB 0.207 29.620 29.700 -0.478 0.000 0.891 5189 E HN 0.663 nan 8.360 nan 0.000 0.496 5190 H N 0.217 119.238 119.070 -0.081 0.000 2.954 5190 H HA 0.217 4.491 4.556 -0.469 0.000 0.361 5190 H C -0.569 174.793 175.328 0.057 0.000 1.122 5190 H CA -0.589 55.467 56.048 0.013 0.000 1.217 5190 H CB 1.158 30.976 29.762 0.094 0.000 1.776 5190 H HN -0.106 nan 8.280 nan 0.000 0.533 5191 N N 3.223 122.013 118.700 0.150 0.000 3.050 5191 N HA 0.021 4.477 4.740 -0.472 0.000 0.289 5191 N C 1.192 176.755 175.510 0.088 0.000 1.209 5191 N CA 0.061 53.163 53.050 0.086 0.000 1.154 5191 N CB 0.154 38.683 38.487 0.070 0.000 1.444 5191 N HN 0.616 nan 8.380 nan 0.000 0.529 5192 I N 0.886 121.501 120.570 0.076 0.000 2.830 5192 I HA -0.134 3.753 4.170 -0.472 0.000 0.263 5192 I C 1.622 177.622 176.117 -0.195 0.000 1.230 5192 I CA 0.653 61.933 61.300 -0.033 0.000 1.480 5192 I CB 0.372 38.237 38.000 -0.224 0.000 1.095 5192 I HN 0.421 nan 8.210 nan 0.000 0.455 5193 L N 0.060 121.166 121.223 -0.194 0.000 2.341 5193 L HA 0.003 4.060 4.340 -0.472 0.000 0.214 5193 L C 1.380 178.230 176.870 -0.033 0.000 1.115 5193 L CA 0.478 55.212 54.840 -0.177 0.000 0.820 5193 L CB 0.129 42.095 42.059 -0.155 0.000 0.944 5193 L HN 0.184 nan 8.230 nan 0.000 0.452 5194 M N -0.328 119.267 119.600 -0.008 0.000 2.853 5194 M HA 0.202 4.398 4.480 -0.472 0.000 0.274 5194 M C -0.586 175.685 176.300 -0.049 0.000 1.289 5194 M CA 0.230 55.541 55.300 0.018 0.000 1.031 5194 M CB -1.015 31.617 32.600 0.053 0.000 1.352 5194 M HN 0.039 nan 8.290 nan 0.000 0.485 5195 H N 1.014 120.000 119.070 -0.139 0.000 2.690 5195 H HA 0.488 4.763 4.556 -0.468 0.000 0.368 5195 H C -2.321 172.925 175.328 -0.135 0.000 1.150 5195 H CA -1.610 54.287 56.048 -0.252 0.000 1.174 5195 H CB 2.783 32.470 29.762 -0.125 0.000 1.684 5195 H HN -0.042 nan 8.280 nan 0.000 0.538 5196 P HA 0.073 nan 4.420 nan 0.000 0.254 5196 P C 0.158 177.522 177.300 0.106 0.000 1.494 5196 P CA 0.259 63.436 63.100 0.128 0.000 0.961 5196 P CB 0.177 31.917 31.700 0.066 0.000 1.493 5197 F N -0.914 119.036 119.950 -0.000 0.000 2.581 5197 F HA 0.113 4.364 4.527 -0.461 0.000 0.278 5197 F C 2.433 178.090 175.800 -0.239 0.000 1.000 5197 F CA 0.025 57.852 58.000 -0.288 0.000 1.230 5197 F CB -0.462 38.160 39.000 -0.630 0.000 1.008 5197 F HN 0.066 nan 8.300 nan 0.000 0.695 5198 H N 0.831 119.807 119.070 -0.156 0.000 2.423 5198 H HA -0.144 4.127 4.556 -0.474 0.000 0.297 5198 H C 1.917 177.169 175.328 -0.127 0.000 1.075 5198 H CA 1.874 57.808 56.048 -0.190 0.000 1.342 5198 H CB 0.267 29.906 29.762 -0.205 0.000 1.395 5198 H HN 0.337 nan 8.280 nan 0.000 0.530 5199 Q N 1.142 120.935 119.800 -0.012 0.000 2.077 5199 Q HA -0.161 3.896 4.340 -0.472 0.000 0.206 5199 Q C 2.314 178.244 176.000 -0.118 0.000 0.989 5199 Q CA 2.035 57.804 55.803 -0.058 0.000 0.853 5199 Q CB -1.087 27.669 28.738 0.031 0.000 0.907 5199 Q HN 0.480 nan 8.270 nan 0.000 0.418 5200 L N 0.279 121.480 121.223 -0.036 0.000 2.353 5200 L HA -0.001 4.056 4.340 -0.472 0.000 0.220 5200 L C 2.302 179.095 176.870 -0.129 0.000 1.133 5200 L CA 1.011 55.854 54.840 0.004 0.000 0.798 5200 L CB -0.542 41.687 42.059 0.284 0.000 0.922 5200 L HN 0.565 nan 8.230 nan 0.000 0.445 5201 G N -1.200 107.467 108.800 -0.221 0.000 2.411 5201 G HA2 -0.110 3.567 3.960 -0.472 0.000 0.213 5201 G HA3 -0.110 3.567 3.960 -0.472 0.000 0.213 5201 G C 1.522 176.185 174.900 -0.394 0.000 1.166 5201 G CA 0.438 45.350 45.100 -0.314 0.000 0.802 5201 G HN 0.140 nan 8.290 nan 0.000 0.533 5202 V N 1.686 121.320 119.914 -0.467 0.000 2.490 5202 V HA -0.100 3.737 4.120 -0.472 0.000 0.250 5202 V C 3.254 179.176 176.094 -0.287 0.000 1.061 5202 V CA 1.782 63.776 62.300 -0.510 0.000 1.064 5202 V CB -0.555 30.922 31.823 -0.577 0.000 0.670 5202 V HN 0.456 nan 8.190 nan 0.000 0.461 5203 A N 0.579 123.238 122.820 -0.267 0.000 1.858 5203 A HA -0.108 3.929 4.320 -0.472 0.000 0.216 5203 A C 2.406 179.632 177.584 -0.598 0.000 1.190 5203 A CA 2.118 53.986 52.037 -0.282 0.000 0.617 5203 A CB -1.162 17.674 19.000 -0.273 0.000 0.827 5203 A HN 0.512 nan 8.150 nan 0.000 0.443 5204 G N -1.502 106.855 108.800 -0.737 0.000 2.426 5204 G HA2 0.047 3.723 3.960 -0.472 0.000 0.214 5204 G HA3 0.047 3.723 3.960 -0.472 0.000 0.214 5204 G C 1.551 176.144 174.900 -0.511 0.000 1.156 5204 G CA 0.963 45.505 45.100 -0.930 0.000 0.802 5204 G HN 0.352 nan 8.290 nan 0.000 0.534 5205 V N 0.110 119.823 119.914 -0.336 0.000 2.379 5205 V HA 0.131 3.968 4.120 -0.472 0.000 0.245 5205 V C 2.039 178.127 176.094 -0.010 0.000 1.044 5205 V CA 1.040 63.228 62.300 -0.187 0.000 1.036 5205 V CB -0.325 31.373 31.823 -0.207 0.000 0.664 5205 V HN 0.440 nan 8.190 nan 0.000 0.453 5206 F N -0.415 119.393 119.950 -0.237 0.000 2.795 5206 F HA 0.160 4.405 4.527 -0.471 0.000 0.303 5206 F C 1.619 177.311 175.800 -0.180 0.000 1.186 5206 F CA 0.111 58.012 58.000 -0.165 0.000 1.415 5206 F CB 0.256 39.177 39.000 -0.132 0.000 1.106 5206 F HN 0.353 nan 8.300 nan 0.000 0.558 5207 G N -0.866 107.861 108.800 -0.122 0.000 2.766 5207 G HA2 0.033 3.710 3.960 -0.472 0.000 0.201 5207 G HA3 0.033 3.710 3.960 -0.472 0.000 0.201 5207 G C 1.741 176.473 174.900 -0.280 0.000 1.177 5207 G CA 0.525 45.449 45.100 -0.293 0.000 0.773 5207 G HN 0.262 nan 8.290 nan 0.000 0.648 5208 G N 1.465 110.160 108.800 -0.174 0.000 2.550 5208 G HA2 -0.049 3.628 3.960 -0.472 0.000 0.222 5208 G HA3 -0.049 3.628 3.960 -0.472 0.000 0.222 5208 G C 1.846 176.751 174.900 0.008 0.000 1.113 5208 G CA 2.051 47.120 45.100 -0.051 0.000 0.748 5208 G HN 0.763 nan 8.290 nan 0.000 0.585 5209 A N 0.793 123.601 122.820 -0.020 0.000 1.823 5209 A HA 0.166 4.202 4.320 -0.472 0.000 0.214 5209 A C 2.330 179.942 177.584 0.047 0.000 1.225 5209 A CA 1.667 53.705 52.037 0.002 0.000 0.604 5209 A CB -0.798 18.197 19.000 -0.007 0.000 0.878 5209 A HN 0.805 nan 8.150 nan 0.000 0.450 5210 L N -0.675 120.574 121.223 0.045 0.000 2.197 5210 L HA -0.175 3.882 4.340 -0.472 0.000 0.215 5210 L C 1.936 179.023 176.870 0.363 0.000 1.095 5210 L CA 1.855 56.781 54.840 0.145 0.000 0.764 5210 L CB -0.982 41.170 42.059 0.155 0.000 0.897 5210 L HN 0.472 nan 8.230 nan 0.000 0.436 5211 F N -2.222 117.718 119.950 -0.016 0.000 2.262 5211 F HA -0.094 4.151 4.527 -0.471 0.000 0.292 5211 F C 2.699 178.454 175.800 -0.075 0.000 1.081 5211 F CA 0.429 58.403 58.000 -0.044 0.000 1.355 5211 F CB -0.673 38.320 39.000 -0.011 0.000 1.069 5211 F HN 0.202 nan 8.300 nan 0.000 0.506 5212 C N 0.857 120.232 119.300 0.124 0.000 2.410 5212 C HA -0.135 4.042 4.460 -0.472 0.000 0.281 5212 C C 3.015 177.979 174.990 -0.044 0.000 1.318 5212 C CA 1.184 60.200 59.018 -0.003 0.000 1.776 5212 C CB -1.365 26.354 27.740 -0.035 0.000 1.942 5212 C HN 0.471 nan 8.230 nan 0.000 0.508 5213 A N 0.081 122.890 122.820 -0.018 0.000 1.933 5213 A HA -0.123 3.914 4.320 -0.472 0.000 0.218 5213 A C 2.255 179.779 177.584 -0.100 0.000 1.175 5213 A CA 1.978 53.983 52.037 -0.055 0.000 0.628 5213 A CB -0.428 18.550 19.000 -0.036 0.000 0.814 5213 A HN 0.625 nan 8.150 nan 0.000 0.444 5214 M N -1.710 117.813 119.600 -0.128 0.000 2.102 5214 M HA -0.036 4.160 4.480 -0.472 0.000 0.259 5214 M C 2.309 178.522 176.300 -0.145 0.000 1.083 5214 M CA 1.738 56.898 55.300 -0.234 0.000 1.141 5214 M CB -1.413 30.939 32.600 -0.413 0.000 1.318 5214 M HN 0.655 nan 8.290 nan 0.000 0.421 5215 H N 0.760 119.693 119.070 -0.228 0.000 2.387 5215 H HA -0.070 4.202 4.556 -0.472 0.000 0.299 5215 H C 1.904 177.120 175.328 -0.186 0.000 1.099 5215 H CA 1.979 57.911 56.048 -0.193 0.000 1.315 5215 H CB -0.756 28.889 29.762 -0.195 0.000 1.380 5215 H HN 0.359 nan 8.280 nan 0.000 0.513 5216 G N -0.454 108.257 108.800 -0.147 0.000 2.453 5216 G HA2 -0.293 3.384 3.960 -0.472 0.000 0.215 5216 G HA3 -0.293 3.384 3.960 -0.472 0.000 0.215 5216 G C 2.020 176.851 174.900 -0.116 0.000 1.201 5216 G CA 1.267 46.248 45.100 -0.199 0.000 0.784 5216 G HN 0.542 nan 8.290 nan 0.000 0.545 5217 S N 0.426 116.065 115.700 -0.102 0.000 2.444 5217 S HA -0.161 4.026 4.470 -0.472 0.000 0.225 5217 S C 2.494 177.059 174.600 -0.058 0.000 1.042 5217 S CA 1.751 59.898 58.200 -0.088 0.000 1.132 5217 S CB -0.671 62.448 63.200 -0.134 0.000 1.099 5217 S HN 0.293 nan 8.310 nan 0.000 0.417 5218 L N 1.095 122.262 121.223 -0.093 0.000 2.051 5218 L HA -0.114 3.943 4.340 -0.472 0.000 0.214 5218 L C 2.667 179.560 176.870 0.039 0.000 1.076 5218 L CA 1.683 56.499 54.840 -0.040 0.000 0.758 5218 L CB -0.936 41.049 42.059 -0.123 0.000 0.890 5218 L HN 0.391 nan 8.230 nan 0.000 0.433 5219 V N -0.256 119.668 119.914 0.016 0.000 2.343 5219 V HA -0.268 3.569 4.120 -0.472 0.000 0.247 5219 V C 2.444 178.504 176.094 -0.057 0.000 1.051 5219 V CA 2.671 64.922 62.300 -0.082 0.000 1.036 5219 V CB -0.213 31.497 31.823 -0.188 0.000 0.654 5219 V HN 0.543 nan 8.190 nan 0.000 0.451 5220 T N -0.916 113.611 114.554 -0.045 0.000 2.857 5220 T HA -0.130 3.937 4.350 -0.472 0.000 0.266 5220 T C 1.983 176.706 174.700 0.039 0.000 1.048 5220 T CA 1.610 63.703 62.100 -0.012 0.000 1.139 5220 T CB -0.375 68.470 68.868 -0.038 0.000 0.874 5220 T HN 0.558 nan 8.240 nan 0.000 0.455 5221 S N 0.943 116.675 115.700 0.052 0.000 2.500 5221 S HA 0.002 4.189 4.470 -0.472 0.000 0.239 5221 S C 1.029 175.702 174.600 0.122 0.000 0.989 5221 S CA 0.548 58.804 58.200 0.092 0.000 0.951 5221 S CB -0.250 63.031 63.200 0.135 0.000 0.759 5221 S HN 0.325 nan 8.310 nan 0.000 0.523 5222 S N 1.314 117.097 115.700 0.139 0.000 2.259 5222 S HA 0.548 4.734 4.470 -0.472 0.000 0.181 5222 S C -1.128 173.594 174.600 0.204 0.000 1.589 5222 S CA -0.751 57.556 58.200 0.178 0.000 1.234 5222 S CB 0.189 63.529 63.200 0.234 0.000 1.119 5222 S HN 0.375 nan 8.310 nan 0.000 0.458 5223 L N 6.569 127.884 121.223 0.152 0.000 2.410 5223 L HA 0.551 4.608 4.340 -0.472 0.000 0.270 5223 L C 0.842 177.783 176.870 0.119 0.000 0.983 5223 L CA -0.859 54.076 54.840 0.158 0.000 0.822 5223 L CB 1.746 43.886 42.059 0.135 0.000 1.285 5223 L HN 0.702 nan 8.230 nan 0.000 0.409 5224 I N 2.370 123.010 120.570 0.116 0.000 3.982 5224 I HA -0.117 3.769 4.170 -0.472 0.000 0.063 5224 I C 0.370 176.530 176.117 0.071 0.000 0.778 5224 I CA 0.605 61.955 61.300 0.083 0.000 1.209 5224 I CB -0.255 37.790 38.000 0.074 0.000 1.050 5224 I HN 0.862 nan 8.210 nan 0.000 0.456 5225 R N 0.679 121.217 120.500 0.064 0.000 3.009 5225 R HA 0.229 4.286 4.340 -0.472 0.000 0.278 5225 R C -1.021 175.311 176.300 0.055 0.000 1.515 5225 R CA -0.333 55.801 56.100 0.056 0.000 1.055 5225 R CB 0.864 31.189 30.300 0.042 0.000 1.345 5225 R HN 0.656 nan 8.270 nan 0.000 0.421 5226 E N 2.006 122.247 120.200 0.068 0.000 2.714 5226 E HA 0.120 4.187 4.350 -0.472 0.000 0.219 5226 E C 0.111 176.751 176.600 0.068 0.000 0.979 5226 E CA -0.060 56.380 56.400 0.067 0.000 1.092 5226 E CB 1.911 31.661 29.700 0.083 0.000 1.049 5226 E HN 0.584 nan 8.360 nan 0.000 0.487 5227 T N -0.425 114.170 114.554 0.068 0.000 3.245 5227 T HA -0.022 4.045 4.350 -0.472 0.000 0.261 5227 T C -0.103 174.627 174.700 0.051 0.000 0.842 5227 T CA 0.769 62.908 62.100 0.064 0.000 0.858 5227 T CB 0.163 69.097 68.868 0.111 0.000 1.262 5227 T HN -0.001 nan 8.240 nan 0.000 0.587 5228 T N 4.283 118.867 114.554 0.050 0.000 3.580 5228 T HA -0.173 3.893 4.350 -0.472 0.000 0.402 5228 T C 0.579 175.303 174.700 0.039 0.000 0.765 5228 T CA 1.640 63.764 62.100 0.039 0.000 2.064 5228 T CB -1.840 67.044 68.868 0.028 0.000 1.724 5228 T HN 0.980 nan 8.240 nan 0.000 0.719 5229 E N -1.535 118.694 120.200 0.049 0.000 2.960 5229 E HA -0.394 3.673 4.350 -0.472 0.000 0.268 5229 E C 1.064 177.691 176.600 0.045 0.000 1.104 5229 E CA 2.223 58.651 56.400 0.047 0.000 0.773 5229 E CB -2.190 27.530 29.700 0.034 0.000 1.383 5229 E HN 0.927 nan 8.360 nan 0.000 0.451 5230 T N -3.326 111.254 114.554 0.043 0.000 2.788 5230 T HA -0.069 3.998 4.350 -0.472 0.000 0.268 5230 T C 1.147 175.874 174.700 0.044 0.000 1.044 5230 T CA 1.603 63.722 62.100 0.031 0.000 1.139 5230 T CB -0.015 68.863 68.868 0.018 0.000 0.867 5230 T HN 0.510 nan 8.240 nan 0.000 0.454 5231 E N 0.457 120.703 120.200 0.076 0.000 3.877 5231 E HA 0.476 4.543 4.350 -0.472 0.000 0.125 5231 E C -0.427 176.277 176.600 0.174 0.000 1.063 5231 E CA -0.063 56.417 56.400 0.133 0.000 0.802 5231 E CB 0.857 30.646 29.700 0.150 0.000 1.933 5231 E HN 0.288 nan 8.360 nan 0.000 0.413 5232 S N -0.766 115.120 115.700 0.311 0.000 2.693 5232 S HA 0.668 4.854 4.470 -0.472 0.000 0.276 5232 S C 0.481 175.191 174.600 0.182 0.000 1.192 5232 S CA 0.082 58.384 58.200 0.169 0.000 0.994 5232 S CB 1.502 64.666 63.200 -0.061 0.000 1.012 5232 S HN 0.604 nan 8.310 nan 0.000 0.550 5233 A N 0.937 123.800 122.820 0.071 0.000 2.220 5233 A HA 0.283 4.320 4.320 -0.472 0.000 0.211 5233 A C 1.362 178.978 177.584 0.053 0.000 1.176 5233 A CA -0.099 51.986 52.037 0.081 0.000 0.834 5233 A CB -0.753 18.278 19.000 0.052 0.000 0.868 5233 A HN 0.919 nan 8.150 nan 0.000 0.488 5234 N N -0.953 117.712 118.700 -0.059 0.000 2.471 5234 N HA 0.033 4.490 4.740 -0.472 0.000 0.205 5234 N C 0.011 175.423 175.510 -0.164 0.000 1.251 5234 N CA 0.298 53.271 53.050 -0.127 0.000 0.843 5234 N CB -0.096 38.264 38.487 -0.211 0.000 1.044 5234 N HN 0.652 nan 8.380 nan 0.000 0.461 5235 Y N -1.010 119.335 120.300 0.075 0.000 2.445 5235 Y HA 0.197 4.465 4.550 -0.471 0.000 0.247 5235 Y C 2.208 178.176 175.900 0.115 0.000 1.129 5235 Y CA -0.641 57.512 58.100 0.089 0.000 1.251 5235 Y CB 0.707 39.204 38.460 0.062 0.000 1.176 5235 Y HN 0.058 nan 8.280 nan 0.000 0.522 5236 G N -0.082 108.866 108.800 0.247 0.000 3.024 5236 G HA2 -0.185 3.492 3.960 -0.472 0.000 0.202 5236 G HA3 -0.185 3.492 3.960 -0.472 0.000 0.202 5236 G C -0.520 174.534 174.900 0.257 0.000 1.195 5236 G CA 0.796 46.020 45.100 0.207 0.000 0.924 5236 G HN 0.462 nan 8.290 nan 0.000 0.500 5237 Y N -0.874 119.504 120.300 0.130 0.000 2.275 5237 Y HA 0.387 4.654 4.550 -0.471 0.000 0.319 5237 Y C -0.690 175.295 175.900 0.141 0.000 1.204 5237 Y CA -1.179 56.994 58.100 0.122 0.000 1.136 5237 Y CB 1.014 39.549 38.460 0.125 0.000 1.228 5237 Y HN -0.088 nan 8.280 nan 0.000 0.413 5238 K N 6.550 126.944 120.400 -0.010 0.000 2.227 5238 K HA 0.223 4.260 4.320 -0.472 0.000 0.280 5238 K C -0.613 176.046 176.600 0.097 0.000 1.041 5238 K CA -0.762 55.594 56.287 0.116 0.000 0.905 5238 K CB 1.127 33.639 32.500 0.019 0.000 1.068 5238 K HN 0.627 nan 8.250 nan 0.000 0.470 5239 F N 1.760 121.868 119.950 0.263 0.000 2.623 5239 F HA 0.002 4.245 4.527 -0.472 0.000 0.383 5239 F C 1.281 177.168 175.800 0.145 0.000 1.077 5239 F CA 1.951 60.165 58.000 0.357 0.000 1.268 5239 F CB 0.343 39.475 39.000 0.220 0.000 1.053 5239 F HN 0.859 nan 8.300 nan 0.000 0.571 5240 G N 3.599 112.002 108.800 -0.661 0.000 2.284 5240 G HA2 -0.261 3.415 3.960 -0.472 0.000 0.216 5240 G HA3 -0.261 3.415 3.960 -0.472 0.000 0.216 5240 G C 0.056 174.764 174.900 -0.319 0.000 1.009 5240 G CA -0.000 44.720 45.100 -0.633 0.000 0.625 5240 G HN 0.996 nan 8.290 nan 0.000 0.501 5241 Q N 0.798 120.398 119.800 -0.333 0.000 2.330 5241 Q HA 0.422 4.479 4.340 -0.472 0.000 0.279 5241 Q C 0.184 176.072 176.000 -0.186 0.000 1.024 5241 Q CA 0.285 55.914 55.803 -0.289 0.000 0.900 5241 Q CB 0.865 29.357 28.738 -0.410 0.000 1.221 5241 Q HN 0.186 nan 8.270 nan 0.000 0.396 5242 E N 1.943 122.072 120.200 -0.118 0.000 2.445 5242 E HA 0.036 4.102 4.350 -0.472 0.000 0.189 5242 E C -0.590 175.986 176.600 -0.041 0.000 1.069 5242 E CA 0.220 56.587 56.400 -0.056 0.000 0.871 5242 E CB 0.209 29.879 29.700 -0.049 0.000 0.991 5242 E HN 0.616 nan 8.360 nan 0.000 0.481 5243 E N 0.433 120.587 120.200 -0.076 0.000 2.322 5243 E HA 0.231 4.298 4.350 -0.472 0.000 0.257 5243 E C -0.130 176.479 176.600 0.014 0.000 1.155 5243 E CA -0.285 56.084 56.400 -0.052 0.000 0.936 5243 E CB 0.831 30.481 29.700 -0.084 0.000 1.130 5243 E HN -0.114 nan 8.360 nan 0.000 0.465 5244 E N 0.167 120.385 120.200 0.030 0.000 2.593 5244 E HA 0.072 4.138 4.350 -0.472 0.000 0.232 5244 E C 0.250 176.937 176.600 0.145 0.000 1.026 5244 E CA -0.041 56.419 56.400 0.099 0.000 0.772 5244 E CB 0.551 30.203 29.700 -0.080 0.000 1.310 5244 E HN 0.542 nan 8.360 nan 0.000 0.413 5245 T N 3.261 118.006 114.554 0.317 0.000 2.771 5245 T HA -0.272 3.795 4.350 -0.472 0.000 0.262 5245 T C 0.532 175.408 174.700 0.293 0.000 1.027 5245 T CA 2.076 64.366 62.100 0.316 0.000 1.159 5245 T CB -0.351 68.815 68.868 0.497 0.000 0.844 5245 T HN 0.500 nan 8.240 nan 0.000 0.478 5246 Y N 0.800 121.193 120.300 0.155 0.000 2.342 5246 Y HA 0.685 4.952 4.550 -0.472 0.000 0.334 5246 Y C -0.269 175.693 175.900 0.104 0.000 1.067 5246 Y CA -2.343 55.830 58.100 0.123 0.000 1.128 5246 Y CB 0.291 38.830 38.460 0.132 0.000 1.200 5246 Y HN -0.055 nan 8.280 nan 0.000 0.464 5247 N N 3.441 122.194 118.700 0.090 0.000 2.530 5247 N HA 0.219 4.676 4.740 -0.472 0.000 0.273 5247 N C 0.520 176.032 175.510 0.002 0.000 1.173 5247 N CA -0.288 52.755 53.050 -0.012 0.000 0.967 5247 N CB 0.645 39.165 38.487 0.054 0.000 1.109 5247 N HN 0.738 nan 8.380 nan 0.000 0.453 5248 I N 2.235 122.763 120.570 -0.070 0.000 2.364 5248 I HA -0.086 3.801 4.170 -0.472 0.000 0.241 5248 I C 1.806 177.986 176.117 0.106 0.000 1.082 5248 I CA 0.766 62.073 61.300 0.012 0.000 1.401 5248 I CB -0.837 37.130 38.000 -0.056 0.000 1.126 5248 I HN 0.397 nan 8.210 nan 0.000 0.429 5249 V N 1.694 121.641 119.914 0.055 0.000 2.809 5249 V HA -0.112 3.725 4.120 -0.472 0.000 0.256 5249 V C 2.702 178.862 176.094 0.111 0.000 1.080 5249 V CA 1.378 63.714 62.300 0.060 0.000 1.102 5249 V CB -0.855 30.959 31.823 -0.014 0.000 0.705 5249 V HN 0.415 nan 8.190 nan 0.000 0.475 5250 A N -0.170 122.712 122.820 0.103 0.000 2.014 5250 A HA 0.053 4.090 4.320 -0.472 0.000 0.218 5250 A C 2.325 180.016 177.584 0.178 0.000 1.163 5250 A CA 1.711 53.819 52.037 0.118 0.000 0.652 5250 A CB -0.374 18.683 19.000 0.096 0.000 0.808 5250 A HN 0.524 nan 8.150 nan 0.000 0.449 5251 A N -0.918 122.028 122.820 0.210 0.000 1.832 5251 A HA -0.068 3.968 4.320 -0.472 0.000 0.214 5251 A C 2.096 179.846 177.584 0.277 0.000 1.242 5251 A CA 1.431 53.617 52.037 0.247 0.000 0.603 5251 A CB -1.158 18.002 19.000 0.267 0.000 0.902 5251 A HN 0.637 nan 8.150 nan 0.000 0.455 5252 H N 0.598 119.767 119.070 0.166 0.000 2.362 5252 H HA -0.206 4.066 4.556 -0.472 0.000 0.294 5252 H C 2.126 177.558 175.328 0.173 0.000 1.113 5252 H CA 2.221 58.370 56.048 0.170 0.000 1.253 5252 H CB -1.028 28.815 29.762 0.136 0.000 1.363 5252 H HN 0.382 nan 8.280 nan 0.000 0.494 5253 G N -0.193 108.886 108.800 0.466 0.000 2.606 5253 G HA2 -0.361 3.315 3.960 -0.472 0.000 0.223 5253 G HA3 -0.361 3.315 3.960 -0.472 0.000 0.223 5253 G C 1.837 176.929 174.900 0.320 0.000 1.106 5253 G CA 1.198 46.511 45.100 0.355 0.000 0.745 5253 G HN 0.672 nan 8.290 nan 0.000 0.597 5254 Y N -0.835 119.549 120.300 0.141 0.000 2.134 5254 Y HA 0.010 4.277 4.550 -0.471 0.000 0.283 5254 Y C 2.492 178.466 175.900 0.123 0.000 1.108 5254 Y CA 0.794 58.957 58.100 0.106 0.000 1.096 5254 Y CB -0.222 38.291 38.460 0.088 0.000 1.005 5254 Y HN 0.146 nan 8.280 nan 0.000 0.487 5255 F N 1.589 121.436 119.950 -0.172 0.000 2.091 5255 F HA -0.140 4.104 4.527 -0.472 0.000 0.299 5255 F C 2.436 178.092 175.800 -0.241 0.000 1.103 5255 F CA 1.569 59.359 58.000 -0.351 0.000 1.228 5255 F CB -1.197 37.552 39.000 -0.419 0.000 0.984 5255 F HN 0.180 nan 8.300 nan 0.000 0.477 5256 G N -0.539 108.074 108.800 -0.312 0.000 2.503 5256 G HA2 -0.347 3.330 3.960 -0.472 0.000 0.221 5256 G HA3 -0.347 3.330 3.960 -0.472 0.000 0.221 5256 G C 1.861 176.729 174.900 -0.054 0.000 1.131 5256 G CA 1.062 45.991 45.100 -0.285 0.000 0.756 5256 G HN 0.265 nan 8.290 nan 0.000 0.572 5257 R N -0.908 119.633 120.500 0.068 0.000 2.119 5257 R HA 0.214 4.271 4.340 -0.472 0.000 0.222 5257 R C 2.344 178.697 176.300 0.088 0.000 1.088 5257 R CA 0.301 56.469 56.100 0.113 0.000 0.984 5257 R CB -0.632 29.774 30.300 0.177 0.000 0.884 5257 R HN 0.373 nan 8.270 nan 0.000 0.447 5258 L N -0.060 121.229 121.223 0.109 0.000 1.961 5258 L HA 0.014 4.071 4.340 -0.472 0.000 0.210 5258 L C 0.229 177.038 176.870 -0.102 0.000 1.072 5258 L CA 1.831 56.727 54.840 0.094 0.000 0.749 5258 L CB -0.083 42.107 42.059 0.219 0.000 0.889 5258 L HN -0.011 nan 8.230 nan 0.000 0.432 5259 I N 1.058 121.405 120.570 -0.372 0.000 2.377 5259 I HA 0.152 4.039 4.170 -0.472 0.000 0.293 5259 I C -0.258 175.547 176.117 -0.520 0.000 0.987 5259 I CA -1.214 59.729 61.300 -0.594 0.000 1.185 5259 I CB 0.827 38.311 38.000 -0.860 0.000 1.341 5259 I HN 0.124 nan 8.210 nan 0.000 0.455 5260 F N 4.261 124.150 119.950 -0.102 0.000 2.505 5260 F HA -0.097 4.147 4.527 -0.472 0.000 0.370 5260 F C 1.024 176.792 175.800 -0.053 0.000 1.009 5260 F CA -0.083 57.890 58.000 -0.044 0.000 1.244 5260 F CB -0.552 38.448 39.000 0.001 0.000 0.925 5260 F HN 0.623 nan 8.300 nan 0.000 0.590 5261 Q N 1.035 121.012 119.800 0.294 0.000 3.261 5261 Q HA -0.100 3.957 4.340 -0.472 0.000 0.201 5261 Q C 0.344 176.561 176.000 0.363 0.000 1.184 5261 Q CA 1.064 56.996 55.803 0.215 0.000 1.233 5261 Q CB -0.062 28.730 28.738 0.090 0.000 1.393 5261 Q HN 0.800 nan 8.270 nan 0.000 0.695 5262 Y N -2.968 117.447 120.300 0.191 0.000 3.062 5262 Y HA -0.420 3.847 4.550 -0.473 0.000 0.481 5262 Y C 1.310 177.299 175.900 0.150 0.000 1.129 5262 Y CA 1.565 59.748 58.100 0.139 0.000 2.748 5262 Y CB -1.939 36.564 38.460 0.071 0.000 0.834 5262 Y HN 0.621 nan 8.280 nan 0.000 0.534 5263 A N -0.700 122.308 122.820 0.314 0.000 2.067 5263 A HA 0.241 4.278 4.320 -0.472 0.000 0.217 5263 A C 1.466 178.981 177.584 -0.115 0.000 1.156 5263 A CA 1.069 53.156 52.037 0.083 0.000 0.683 5263 A CB -0.219 18.694 19.000 -0.144 0.000 0.808 5263 A HN 0.340 nan 8.150 nan 0.000 0.455 5264 S N -1.143 114.459 115.700 -0.163 0.000 2.617 5264 S HA 0.603 4.790 4.470 -0.472 0.000 0.283 5264 S C -0.523 174.250 174.600 0.288 0.000 1.189 5264 S CA -0.651 57.405 58.200 -0.240 0.000 1.036 5264 S CB 0.202 62.904 63.200 -0.831 0.000 1.014 5264 S HN 0.267 nan 8.310 nan 0.000 0.522 5265 F N 3.591 123.593 119.950 0.086 0.000 2.467 5265 F HA 0.142 4.385 4.527 -0.473 0.000 0.362 5265 F C 1.462 177.485 175.800 0.372 0.000 1.090 5265 F CA -0.817 57.296 58.000 0.189 0.000 1.202 5265 F CB 0.884 39.956 39.000 0.119 0.000 1.113 5265 F HN 0.754 nan 8.300 nan 0.000 0.541 5266 N N 1.743 120.632 118.700 0.316 0.000 2.197 5266 N HA -0.114 4.343 4.740 -0.472 0.000 0.184 5266 N C 0.241 175.783 175.510 0.054 0.000 1.030 5266 N CA 0.442 53.546 53.050 0.090 0.000 0.851 5266 N CB -0.249 38.211 38.487 -0.044 0.000 1.003 5266 N HN 0.349 nan 8.380 nan 0.000 0.430 5267 N N 0.273 118.974 118.700 0.001 0.000 2.479 5267 N HA 0.120 4.577 4.740 -0.472 0.000 0.285 5267 N C 0.191 175.741 175.510 0.068 0.000 1.075 5267 N CA 0.023 53.063 53.050 -0.016 0.000 0.967 5267 N CB 1.550 39.980 38.487 -0.094 0.000 1.137 5267 N HN 0.090 nan 8.380 nan 0.000 0.472 5268 S N 2.811 118.552 115.700 0.068 0.000 2.382 5268 S HA -0.029 4.158 4.470 -0.472 0.000 0.228 5268 S C 1.735 176.439 174.600 0.175 0.000 1.027 5268 S CA 0.897 59.169 58.200 0.119 0.000 0.991 5268 S CB 0.078 63.309 63.200 0.050 0.000 0.823 5268 S HN 0.523 nan 8.310 nan 0.000 0.469 5269 R N 1.247 121.730 120.500 -0.029 0.000 2.081 5269 R HA -0.050 4.007 4.340 -0.472 0.000 0.235 5269 R C 2.666 178.814 176.300 -0.252 0.000 1.131 5269 R CA 1.616 57.459 56.100 -0.428 0.000 0.960 5269 R CB -1.267 28.764 30.300 -0.449 0.000 0.856 5269 R HN 0.637 nan 8.270 nan 0.000 0.436 5270 S N 1.011 116.664 115.700 -0.078 0.000 2.368 5270 S HA -0.071 4.115 4.470 -0.472 0.000 0.225 5270 S C 1.398 176.339 174.600 0.568 0.000 1.030 5270 S CA 0.345 58.515 58.200 -0.050 0.000 0.999 5270 S CB -0.447 62.367 63.200 -0.644 0.000 0.844 5270 S HN 0.191 nan 8.310 nan 0.000 0.459 5271 L N 2.510 124.156 121.223 0.704 0.000 2.461 5271 L HA 0.202 4.259 4.340 -0.472 0.000 0.272 5271 L C 0.305 177.703 176.870 0.879 0.000 1.197 5271 L CA 0.367 55.674 54.840 0.779 0.000 0.836 5271 L CB -0.251 42.108 42.059 0.499 0.000 1.105 5271 L HN 0.579 nan 8.230 nan 0.000 0.477 5272 H N 3.228 122.543 119.070 0.408 0.000 1.532 5272 H HA -0.248 4.025 4.556 -0.471 0.000 0.094 5272 H C 0.427 176.061 175.328 0.511 0.000 1.033 5272 H CA 0.576 56.796 56.048 0.287 0.000 1.882 5272 H CB -0.632 29.174 29.762 0.073 0.000 2.241 5272 H HN 0.739 nan 8.280 nan 0.000 0.952 5273 F N -3.973 116.188 119.950 0.351 0.000 2.560 5273 F HA -0.473 3.771 4.527 -0.471 0.000 0.695 5273 F C 2.097 178.071 175.800 0.290 0.000 0.486 5273 F CA 2.118 60.296 58.000 0.296 0.000 0.722 5273 F CB -1.989 37.192 39.000 0.303 0.000 1.608 5273 F HN 0.460 nan 8.300 nan 0.000 0.266 5274 F N 1.640 121.862 119.950 0.453 0.000 2.134 5274 F HA -0.033 4.213 4.527 -0.468 0.000 0.299 5274 F C 1.994 177.964 175.800 0.284 0.000 1.097 5274 F CA 2.049 60.251 58.000 0.336 0.000 1.264 5274 F CB -0.708 38.516 39.000 0.373 0.000 1.001 5274 F HN 0.089 nan 8.300 nan 0.000 0.479 5275 L N 0.097 121.339 121.223 0.033 0.000 2.386 5275 L HA -0.326 3.731 4.340 -0.472 0.000 0.220 5275 L C 2.426 179.230 176.870 -0.109 0.000 1.115 5275 L CA 1.222 55.991 54.840 -0.117 0.000 0.780 5275 L CB -1.434 40.609 42.059 -0.026 0.000 0.902 5275 L HN 0.453 nan 8.230 nan 0.000 0.442 5276 A N -0.632 122.170 122.820 -0.031 0.000 1.919 5276 A HA 0.199 4.236 4.320 -0.472 0.000 0.211 5276 A C 2.515 180.073 177.584 -0.043 0.000 1.310 5276 A CA 0.910 52.924 52.037 -0.039 0.000 0.651 5276 A CB -0.771 18.242 19.000 0.022 0.000 0.996 5276 A HN 0.270 nan 8.150 nan 0.000 0.479 5277 A N -0.920 121.945 122.820 0.075 0.000 1.925 5277 A HA -0.367 3.670 4.320 -0.472 0.000 0.244 5277 A C 2.130 179.865 177.584 0.253 0.000 1.963 5277 A CA 2.237 54.394 52.037 0.200 0.000 0.753 5277 A CB -1.801 17.505 19.000 0.511 0.000 0.842 5277 A HN 0.850 nan 8.150 nan 0.000 0.530 5278 W N -0.776 120.332 121.300 -0.320 0.000 2.353 5278 W HA -0.212 4.167 4.660 -0.468 0.000 0.319 5278 W C 2.768 179.153 176.519 -0.224 0.000 1.207 5278 W CA 1.223 58.414 57.345 -0.255 0.000 1.291 5278 W CB -0.089 29.118 29.460 -0.420 0.000 1.159 5278 W HN 0.360 nan 8.180 nan 0.000 0.478 5279 R N 0.756 121.171 120.500 -0.142 0.000 2.127 5279 R HA -0.168 3.888 4.340 -0.472 0.000 0.219 5279 R C 2.028 178.094 176.300 -0.389 0.000 1.133 5279 R CA 2.121 58.038 56.100 -0.304 0.000 0.890 5279 R CB -1.393 28.768 30.300 -0.231 0.000 0.804 5279 R HN 0.120 nan 8.270 nan 0.000 0.443 5280 V N 0.972 120.618 119.914 -0.446 0.000 2.353 5280 V HA -0.314 3.523 4.120 -0.472 0.000 0.260 5280 V C 2.500 178.014 176.094 -0.967 0.000 1.091 5280 V CA 2.209 64.020 62.300 -0.816 0.000 1.088 5280 V CB -1.040 30.256 31.823 -0.879 0.000 0.672 5280 V HN 0.327 nan 8.190 nan 0.000 0.455 5281 V N 0.680 120.283 119.914 -0.519 0.000 2.237 5281 V HA -0.155 3.682 4.120 -0.472 0.000 0.245 5281 V C 2.426 178.306 176.094 -0.357 0.000 1.046 5281 V CA 2.648 64.773 62.300 -0.291 0.000 1.007 5281 V CB -0.828 30.967 31.823 -0.046 0.000 0.638 5281 V HN 0.564 nan 8.190 nan 0.000 0.445 5282 G N -1.130 107.481 108.800 -0.314 0.000 2.448 5282 G HA2 -0.171 3.506 3.960 -0.472 0.000 0.218 5282 G HA3 -0.171 3.506 3.960 -0.472 0.000 0.218 5282 G C 1.741 176.545 174.900 -0.159 0.000 1.135 5282 G CA 1.062 46.061 45.100 -0.168 0.000 0.784 5282 G HN 0.597 nan 8.290 nan 0.000 0.543 5283 V N -0.603 119.141 119.914 -0.282 0.000 2.515 5283 V HA -0.045 3.792 4.120 -0.472 0.000 0.250 5283 V C 2.180 178.198 176.094 -0.126 0.000 1.058 5283 V CA 1.442 63.590 62.300 -0.253 0.000 1.064 5283 V CB -0.415 31.204 31.823 -0.340 0.000 0.675 5283 V HN 0.473 nan 8.190 nan 0.000 0.461 5284 W N 0.120 121.291 121.300 -0.216 0.000 2.380 5284 W HA -0.000 4.362 4.660 -0.497 0.000 0.317 5284 W C 2.596 179.017 176.519 -0.165 0.000 1.196 5284 W CA 1.247 58.466 57.345 -0.209 0.000 1.307 5284 W CB -1.559 27.737 29.460 -0.274 0.000 1.157 5284 W HN 0.322 nan 8.180 nan 0.000 0.483 5285 F N 0.645 120.646 119.950 0.085 0.000 2.063 5285 F HA -0.374 3.871 4.527 -0.471 0.000 0.298 5285 F C 2.550 178.096 175.800 -0.423 0.000 1.105 5285 F CA 1.634 59.574 58.000 -0.100 0.000 1.215 5285 F CB -0.834 38.263 39.000 0.163 0.000 0.972 5285 F HN -0.132 nan 8.300 nan 0.000 0.483 5286 A N -0.051 122.736 122.820 -0.055 0.000 1.877 5286 A HA -0.119 3.918 4.320 -0.472 0.000 0.216 5286 A C 2.314 179.745 177.584 -0.254 0.000 1.186 5286 A CA 1.584 53.495 52.037 -0.210 0.000 0.620 5286 A CB -1.283 17.586 19.000 -0.218 0.000 0.822 5286 A HN 0.364 nan 8.150 nan 0.000 0.443 5287 A N -0.678 122.047 122.820 -0.159 0.000 1.927 5287 A HA -0.132 3.905 4.320 -0.472 0.000 0.220 5287 A C 2.063 179.540 177.584 -0.178 0.000 1.185 5287 A CA 1.999 53.963 52.037 -0.121 0.000 0.639 5287 A CB -0.547 18.447 19.000 -0.011 0.000 0.820 5287 A HN 0.421 nan 8.150 nan 0.000 0.451 5288 L N -0.614 120.443 121.223 -0.276 0.000 2.068 5288 L HA 0.061 4.117 4.340 -0.472 0.000 0.204 5288 L C 2.837 179.361 176.870 -0.577 0.000 1.076 5288 L CA 1.759 56.366 54.840 -0.388 0.000 0.753 5288 L CB -1.328 40.449 42.059 -0.470 0.000 0.910 5288 L HN 0.384 nan 8.230 nan 0.000 0.439 5289 G N -0.058 108.157 108.800 -0.975 0.000 2.606 5289 G HA2 -0.342 3.335 3.960 -0.472 0.000 0.221 5289 G HA3 -0.342 3.335 3.960 -0.472 0.000 0.221 5289 G C 1.579 176.263 174.900 -0.360 0.000 1.152 5289 G CA 1.522 46.184 45.100 -0.730 0.000 0.765 5289 G HN 0.267 nan 8.290 nan 0.000 0.595 5290 I N 1.065 121.427 120.570 -0.347 0.000 2.133 5290 I HA -0.060 3.827 4.170 -0.472 0.000 0.238 5290 I C 2.960 179.010 176.117 -0.111 0.000 1.074 5290 I CA 1.384 62.503 61.300 -0.303 0.000 1.342 5290 I CB -0.728 37.067 38.000 -0.342 0.000 1.053 5290 I HN 0.077 nan 8.210 nan 0.000 0.404 5291 S N -0.569 115.081 115.700 -0.085 0.000 2.465 5291 S HA -0.194 3.993 4.470 -0.472 0.000 0.241 5291 S C 2.027 176.699 174.600 0.121 0.000 1.000 5291 S CA 1.625 59.840 58.200 0.025 0.000 0.964 5291 S CB -0.428 62.789 63.200 0.029 0.000 0.763 5291 S HN 0.516 nan 8.310 nan 0.000 0.512 5292 T N 1.448 116.057 114.554 0.091 0.000 2.852 5292 T HA 0.175 4.242 4.350 -0.472 0.000 0.256 5292 T C 1.303 176.151 174.700 0.246 0.000 1.038 5292 T CA 0.626 62.872 62.100 0.244 0.000 1.141 5292 T CB -0.165 68.859 68.868 0.261 0.000 0.869 5292 T HN 0.315 nan 8.240 nan 0.000 0.439 5293 M N 1.203 120.880 119.600 0.128 0.000 2.752 5293 M HA 0.190 4.387 4.480 -0.472 0.000 0.214 5293 M C 1.576 177.882 176.300 0.009 0.000 1.123 5293 M CA -0.065 55.237 55.300 0.004 0.000 1.017 5293 M CB 0.036 32.539 32.600 -0.162 0.000 1.785 5293 M HN 0.190 nan 8.290 nan 0.000 0.499 5294 A N -0.880 121.950 122.820 0.018 0.000 2.275 5294 A HA 0.219 4.256 4.320 -0.472 0.000 0.212 5294 A C 0.794 177.873 177.584 -0.842 0.000 1.201 5294 A CA 0.307 52.190 52.037 -0.257 0.000 0.843 5294 A CB -0.191 18.545 19.000 -0.439 0.000 0.873 5294 A HN 0.563 nan 8.150 nan 0.000 0.492 5295 F N -1.410 118.612 119.950 0.120 0.000 2.936 5295 F HA 0.207 4.449 4.527 -0.474 0.000 0.334 5295 F C 0.055 175.921 175.800 0.110 0.000 1.170 5295 F CA -0.582 57.468 58.000 0.084 0.000 1.104 5295 F CB -0.254 38.786 39.000 0.066 0.000 1.216 5295 F HN 0.169 nan 8.300 nan 0.000 0.518 5296 N N 1.654 120.511 118.700 0.263 0.000 2.746 5296 N HA -0.222 4.235 4.740 -0.472 0.000 0.250 5296 N C -0.542 175.118 175.510 0.249 0.000 1.055 5296 N CA 0.320 53.551 53.050 0.302 0.000 0.699 5296 N CB -1.371 37.252 38.487 0.227 0.000 0.919 5296 N HN 0.430 nan 8.380 nan 0.000 0.548 5297 L N 0.186 121.561 121.223 0.253 0.000 2.719 5297 L HA 0.298 4.355 4.340 -0.472 0.000 0.236 5297 L C -0.144 176.853 176.870 0.211 0.000 1.221 5297 L CA -0.603 54.357 54.840 0.200 0.000 1.048 5297 L CB -0.067 42.120 42.059 0.213 0.000 1.364 5297 L HN 0.209 nan 8.230 nan 0.000 0.447 5298 N N 0.840 119.667 118.700 0.212 0.000 2.294 5298 N HA 0.166 4.623 4.740 -0.472 0.000 0.248 5298 N C 0.591 176.091 175.510 -0.018 0.000 1.300 5298 N CA -0.058 53.129 53.050 0.227 0.000 0.925 5298 N CB 0.264 38.928 38.487 0.295 0.000 1.188 5298 N HN 0.362 nan 8.380 nan 0.000 0.512 5299 G N -0.788 107.999 108.800 -0.021 0.000 2.630 5299 G HA2 0.196 3.873 3.960 -0.472 0.000 0.236 5299 G HA3 0.196 3.873 3.960 -0.472 0.000 0.236 5299 G C -0.199 174.600 174.900 -0.167 0.000 1.248 5299 G CA -0.493 44.413 45.100 -0.323 0.000 0.844 5299 G HN 0.371 nan 8.290 nan 0.000 0.588 5300 F N 0.021 119.984 119.950 0.022 0.000 2.657 5300 F HA -0.036 4.210 4.527 -0.469 0.000 0.347 5300 F C 1.158 177.104 175.800 0.243 0.000 1.180 5300 F CA 0.126 58.234 58.000 0.182 0.000 1.383 5300 F CB 0.421 39.743 39.000 0.536 0.000 1.077 5300 F HN 0.320 nan 8.300 nan 0.000 0.622 5301 N N 1.661 120.593 118.700 0.386 0.000 2.442 5301 N HA 0.247 4.704 4.740 -0.472 0.000 0.274 5301 N C -0.855 174.737 175.510 0.137 0.000 1.002 5301 N CA -0.458 52.736 53.050 0.240 0.000 0.910 5301 N CB 0.582 39.115 38.487 0.076 0.000 1.244 5301 N HN 0.404 nan 8.380 nan 0.000 0.492 5302 F N 0.651 120.652 119.950 0.086 0.000 2.724 5302 F HA 0.333 4.577 4.527 -0.473 0.000 0.310 5302 F C 0.412 176.257 175.800 0.076 0.000 1.107 5302 F CA -0.710 57.334 58.000 0.073 0.000 1.218 5302 F CB -0.032 39.016 39.000 0.080 0.000 1.042 5302 F HN 0.275 nan 8.300 nan 0.000 0.540 5303 N N 1.855 120.667 118.700 0.187 0.000 2.332 5303 N HA -0.089 4.368 4.740 -0.472 0.000 0.274 5303 N C 0.771 176.366 175.510 0.141 0.000 1.351 5303 N CA 1.113 54.223 53.050 0.100 0.000 0.875 5303 N CB -0.420 38.056 38.487 -0.019 0.000 1.140 5303 N HN 0.595 nan 8.380 nan 0.000 0.489 5304 H N -0.388 118.725 119.070 0.072 0.000 4.829 5304 H HA -0.361 3.912 4.556 -0.472 0.000 0.080 5304 H C 1.755 177.107 175.328 0.041 0.000 0.582 5304 H CA 1.270 57.344 56.048 0.043 0.000 1.075 5304 H CB -1.021 28.754 29.762 0.021 0.000 0.466 5304 H HN 0.559 nan 8.280 nan 0.000 0.746 5305 S N 0.383 116.180 115.700 0.162 0.000 2.614 5305 S HA -0.323 3.864 4.470 -0.472 0.000 0.365 5305 S C 0.927 175.561 174.600 0.056 0.000 1.312 5305 S CA 2.235 60.474 58.200 0.066 0.000 1.416 5305 S CB -0.919 62.322 63.200 0.070 0.000 1.399 5305 S HN 0.333 nan 8.310 nan 0.000 0.473 5306 V N 2.612 122.575 119.914 0.081 0.000 2.493 5306 V HA 0.370 4.207 4.120 -0.472 0.000 0.292 5306 V C 0.404 176.496 176.094 -0.003 0.000 1.016 5306 V CA 0.749 63.073 62.300 0.040 0.000 1.097 5306 V CB 0.512 32.362 31.823 0.045 0.000 0.947 5306 V HN 0.542 nan 8.190 nan 0.000 0.479 5307 I N 4.299 124.857 120.570 -0.019 0.000 3.264 5307 I HA 0.631 4.518 4.170 -0.472 0.000 0.309 5307 I C -0.294 175.798 176.117 -0.042 0.000 1.099 5307 I CA -0.452 60.820 61.300 -0.047 0.000 0.989 5307 I CB 2.394 40.369 38.000 -0.042 0.000 1.250 5307 I HN 0.756 nan 8.210 nan 0.000 0.478 5308 D N 0.522 120.893 120.400 -0.049 0.000 2.621 5308 D HA 0.679 5.036 4.640 -0.472 0.000 0.255 5308 D C 0.529 176.809 176.300 -0.032 0.000 1.122 5308 D CA 0.135 54.111 54.000 -0.040 0.000 1.096 5308 D CB 1.804 42.577 40.800 -0.045 0.000 1.282 5308 D HN 0.589 nan 8.370 nan 0.000 0.619 5309 A N 0.520 123.323 122.820 -0.027 0.000 1.841 5309 A HA -0.099 3.938 4.320 -0.472 0.000 0.214 5309 A C 1.909 179.479 177.584 -0.023 0.000 1.195 5309 A CA 1.869 53.893 52.037 -0.022 0.000 0.611 5309 A CB -0.798 18.191 19.000 -0.019 0.000 0.835 5309 A HN 0.614 nan 8.150 nan 0.000 0.443 5310 K N -1.441 118.945 120.400 -0.025 0.000 2.063 5310 K HA -0.045 3.992 4.320 -0.472 0.000 0.208 5310 K C 1.098 177.681 176.600 -0.028 0.000 1.048 5310 K CA 1.761 58.034 56.287 -0.024 0.000 0.928 5310 K CB -0.278 32.208 32.500 -0.024 0.000 0.713 5310 K HN 0.822 nan 8.250 nan 0.000 0.442 5311 G N -0.006 108.773 108.800 -0.036 0.000 2.273 5311 G HA2 -0.146 3.531 3.960 -0.472 0.000 0.162 5311 G HA3 -0.146 3.531 3.960 -0.472 0.000 0.162 5311 G C -0.710 174.151 174.900 -0.065 0.000 1.006 5311 G CA -0.366 44.707 45.100 -0.045 0.000 0.704 5311 G HN 0.243 nan 8.290 nan 0.000 0.487 5312 N N 0.342 119.005 118.700 -0.060 0.000 2.345 5312 N HA 0.203 4.660 4.740 -0.472 0.000 0.243 5312 N C 0.210 175.655 175.510 -0.107 0.000 1.246 5312 N CA 0.394 53.400 53.050 -0.073 0.000 0.863 5312 N CB 2.015 40.469 38.487 -0.056 0.000 1.096 5312 N HN 0.247 nan 8.380 nan 0.000 0.446 5313 V N 3.398 123.222 119.914 -0.151 0.000 2.465 5313 V HA 0.230 4.066 4.120 -0.472 0.000 0.279 5313 V C -0.333 175.683 176.094 -0.129 0.000 1.045 5313 V CA -0.541 61.628 62.300 -0.218 0.000 0.938 5313 V CB 0.570 32.124 31.823 -0.448 0.000 0.986 5313 V HN 0.360 nan 8.190 nan 0.000 0.467 5314 I N 6.172 126.683 120.570 -0.098 0.000 2.354 5314 I HA 0.380 4.267 4.170 -0.472 0.000 0.286 5314 I C 0.134 176.228 176.117 -0.039 0.000 1.007 5314 I CA -0.583 60.679 61.300 -0.063 0.000 1.167 5314 I CB 0.883 38.852 38.000 -0.051 0.000 1.320 5314 I HN 0.645 nan 8.210 nan 0.000 0.458 5315 N N 4.387 123.065 118.700 -0.037 0.000 2.454 5315 N HA 0.154 4.611 4.740 -0.472 0.000 0.260 5315 N C 0.384 175.883 175.510 -0.019 0.000 1.218 5315 N CA 0.218 53.266 53.050 -0.004 0.000 0.904 5315 N CB 0.524 38.999 38.487 -0.020 0.000 1.065 5315 N HN 0.558 nan 8.380 nan 0.000 0.462 5316 T N -1.537 113.052 114.554 0.058 0.000 2.824 5316 T HA 0.108 4.175 4.350 -0.472 0.000 0.277 5316 T C 0.848 175.612 174.700 0.106 0.000 0.975 5316 T CA -0.707 61.439 62.100 0.076 0.000 0.966 5316 T CB 0.755 69.721 68.868 0.163 0.000 1.054 5316 T HN 0.575 nan 8.240 nan 0.000 0.533 5317 W N 0.375 121.687 121.300 0.020 0.000 2.378 5317 W HA 0.031 4.408 4.660 -0.471 0.000 0.313 5317 W C 2.662 179.189 176.519 0.014 0.000 1.197 5317 W CA 0.658 58.009 57.345 0.010 0.000 1.304 5317 W CB -0.325 29.129 29.460 -0.009 0.000 1.148 5317 W HN 0.827 nan 8.180 nan 0.000 0.494 5318 A N -0.113 122.882 122.820 0.291 0.000 2.298 5318 A HA -0.268 3.769 4.320 -0.472 0.000 0.215 5318 A C 1.124 178.817 177.584 0.180 0.000 1.193 5318 A CA 2.269 54.408 52.037 0.169 0.000 0.697 5318 A CB -0.827 18.228 19.000 0.093 0.000 0.774 5318 A HN 0.372 nan 8.150 nan 0.000 0.492 5319 D N -0.575 119.946 120.400 0.202 0.000 2.149 5319 D HA -0.036 4.321 4.640 -0.472 0.000 0.206 5319 D C 1.865 178.256 176.300 0.153 0.000 0.967 5319 D CA 0.803 54.902 54.000 0.164 0.000 0.848 5319 D CB -0.012 40.879 40.800 0.153 0.000 0.998 5319 D HN 0.306 nan 8.370 nan 0.000 0.474 5320 I N 1.108 121.802 120.570 0.208 0.000 2.099 5320 I HA -0.236 3.650 4.170 -0.472 0.000 0.239 5320 I C 2.381 178.579 176.117 0.134 0.000 1.066 5320 I CA 1.131 62.548 61.300 0.195 0.000 1.324 5320 I CB -1.138 37.056 38.000 0.324 0.000 1.037 5320 I HN 0.145 nan 8.210 nan 0.000 0.401 5321 I N 0.800 121.447 120.570 0.129 0.000 2.358 5321 I HA -0.418 3.469 4.170 -0.472 0.000 0.257 5321 I C 2.342 178.489 176.117 0.050 0.000 1.123 5321 I CA 1.565 62.901 61.300 0.059 0.000 1.393 5321 I CB -0.629 37.397 38.000 0.044 0.000 1.073 5321 I HN 0.456 nan 8.210 nan 0.000 0.437 5322 N N 0.344 119.086 118.700 0.069 0.000 2.062 5322 N HA -0.168 4.288 4.740 -0.472 0.000 0.191 5322 N C 1.955 177.486 175.510 0.035 0.000 1.042 5322 N CA 0.818 53.897 53.050 0.049 0.000 0.845 5322 N CB 0.117 38.636 38.487 0.053 0.000 1.024 5322 N HN 0.202 nan 8.380 nan 0.000 0.424 5323 R N 0.943 121.470 120.500 0.046 0.000 2.117 5323 R HA -0.097 3.960 4.340 -0.472 0.000 0.243 5323 R C 1.892 178.210 176.300 0.030 0.000 1.143 5323 R CA 1.034 57.157 56.100 0.038 0.000 0.968 5323 R CB -1.173 29.156 30.300 0.049 0.000 0.863 5323 R HN 0.287 nan 8.270 nan 0.000 0.444 5324 A N 1.345 124.183 122.820 0.030 0.000 2.216 5324 A HA -0.093 3.943 4.320 -0.472 0.000 0.214 5324 A C 1.538 179.126 177.584 0.007 0.000 1.160 5324 A CA 1.121 53.168 52.037 0.017 0.000 0.725 5324 A CB -0.194 18.811 19.000 0.009 0.000 0.784 5324 A HN 0.284 nan 8.150 nan 0.000 0.472 5325 N N -0.643 118.061 118.700 0.006 0.000 2.571 5325 N HA 0.130 4.586 4.740 -0.472 0.000 0.195 5325 N C 1.617 177.126 175.510 -0.002 0.000 1.040 5325 N CA 0.499 53.545 53.050 -0.007 0.000 0.890 5325 N CB -0.317 38.163 38.487 -0.012 0.000 1.233 5325 N HN 0.377 nan 8.380 nan 0.000 0.435 5326 L N 1.296 122.522 121.223 0.005 0.000 2.013 5326 L HA -0.127 3.929 4.340 -0.472 0.000 0.212 5326 L C 2.443 179.327 176.870 0.023 0.000 1.073 5326 L CA 1.645 56.491 54.840 0.009 0.000 0.753 5326 L CB -1.120 40.945 42.059 0.009 0.000 0.890 5326 L HN 0.200 nan 8.230 nan 0.000 0.432 5327 G N 1.232 110.047 108.800 0.025 0.000 2.777 5327 G HA2 -0.380 3.297 3.960 -0.472 0.000 0.217 5327 G HA3 -0.380 3.297 3.960 -0.472 0.000 0.217 5327 G C 1.504 176.432 174.900 0.046 0.000 1.295 5327 G CA 1.504 46.623 45.100 0.032 0.000 0.800 5327 G HN 0.451 nan 8.290 nan 0.000 0.637 5328 M N -0.471 119.155 119.600 0.043 0.000 2.149 5328 M HA -0.006 4.191 4.480 -0.472 0.000 0.261 5328 M C 2.254 178.624 176.300 0.116 0.000 1.064 5328 M CA 2.377 57.717 55.300 0.067 0.000 1.102 5328 M CB -0.877 31.745 32.600 0.038 0.000 1.369 5328 M HN 0.411 nan 8.290 nan 0.000 0.408 5329 E N 1.412 121.653 120.200 0.070 0.000 2.086 5329 E HA -0.234 3.833 4.350 -0.472 0.000 0.205 5329 E C 2.165 178.951 176.600 0.310 0.000 1.027 5329 E CA 2.731 59.199 56.400 0.113 0.000 0.830 5329 E CB -0.215 29.501 29.700 0.025 0.000 0.751 5329 E HN 0.609 nan 8.360 nan 0.000 0.456 5330 V N -0.732 119.271 119.914 0.149 0.000 2.261 5330 V HA -0.256 3.581 4.120 -0.472 0.000 0.246 5330 V C 2.334 178.500 176.094 0.121 0.000 1.047 5330 V CA 1.877 64.240 62.300 0.105 0.000 1.015 5330 V CB -0.603 31.250 31.823 0.050 0.000 0.642 5330 V HN 0.200 nan 8.190 nan 0.000 0.446 5331 M N 1.540 121.211 119.600 0.117 0.000 2.213 5331 M HA -0.002 4.195 4.480 -0.472 0.000 0.263 5331 M C 1.410 177.775 176.300 0.109 0.000 1.062 5331 M CA 1.154 56.510 55.300 0.093 0.000 1.105 5331 M CB -1.827 30.820 32.600 0.078 0.000 1.385 5331 M HN 0.857 nan 8.290 nan 0.000 0.417 5332 H N 2.400 121.513 119.070 0.072 0.000 3.092 5332 H HA -0.056 4.217 4.556 -0.472 0.000 0.332 5332 H C -0.405 174.969 175.328 0.077 0.000 1.029 5332 H CA 0.843 56.935 56.048 0.072 0.000 1.376 5332 H CB -0.240 29.565 29.762 0.072 0.000 1.329 5332 H HN 0.382 nan 8.280 nan 0.000 0.598 5333 E N 1.235 121.406 120.200 -0.048 0.000 2.162 5333 E HA -0.310 3.757 4.350 -0.472 0.000 0.209 5333 E C 0.554 176.928 176.600 -0.377 0.000 1.328 5333 E CA 0.668 56.947 56.400 -0.201 0.000 0.712 5333 E CB -0.707 28.863 29.700 -0.216 0.000 1.107 5333 E HN 0.706 nan 8.360 nan 0.000 0.347 5334 R N 2.240 122.616 120.500 -0.207 0.000 2.973 5334 R HA -0.134 3.923 4.340 -0.472 0.000 0.277 5334 R C 0.822 176.955 176.300 -0.278 0.000 1.000 5334 R CA 0.945 56.941 56.100 -0.173 0.000 1.175 5334 R CB -0.213 30.056 30.300 -0.052 0.000 1.113 5334 R HN 0.533 nan 8.270 nan 0.000 0.495 5335 N N -2.282 116.303 118.700 -0.192 0.000 2.627 5335 N HA -0.292 4.165 4.740 -0.472 0.000 0.248 5335 N C 0.138 175.489 175.510 -0.265 0.000 1.173 5335 N CA 1.398 54.340 53.050 -0.180 0.000 0.741 5335 N CB -1.060 37.361 38.487 -0.110 0.000 1.128 5335 N HN 0.717 nan 8.380 nan 0.000 0.562 5336 A N -0.685 121.831 122.820 -0.506 0.000 2.469 5336 A HA 0.228 4.265 4.320 -0.472 0.000 0.245 5336 A C 0.074 177.454 177.584 -0.341 0.000 1.221 5336 A CA 0.095 51.896 52.037 -0.393 0.000 0.946 5336 A CB 0.104 18.892 19.000 -0.354 0.000 1.049 5336 A HN 0.722 nan 8.150 nan 0.000 0.529 5337 H N -1.900 117.098 119.070 -0.121 0.000 2.667 5337 H HA 0.564 4.836 4.556 -0.473 0.000 0.353 5337 H C -0.581 174.629 175.328 -0.197 0.000 1.072 5337 H CA -1.628 54.351 56.048 -0.116 0.000 1.214 5337 H CB 0.398 30.116 29.762 -0.074 0.000 1.600 5337 H HN -0.015 nan 8.280 nan 0.000 0.527 5338 N N 1.809 120.373 118.700 -0.228 0.000 2.230 5338 N HA 0.106 4.563 4.740 -0.472 0.000 0.202 5338 N C -0.840 174.214 175.510 -0.760 0.000 1.119 5338 N CA 0.222 52.956 53.050 -0.528 0.000 0.851 5338 N CB 0.575 38.627 38.487 -0.725 0.000 0.990 5338 N HN 0.295 nan 8.380 nan 0.000 0.497 5339 F N 0.644 120.603 119.950 0.015 0.000 2.661 5339 F HA 0.459 4.702 4.527 -0.473 0.000 0.347 5339 F C -1.107 174.657 175.800 -0.061 0.000 1.086 5339 F CA -1.860 56.129 58.000 -0.018 0.000 1.016 5339 F CB 0.126 39.118 39.000 -0.013 0.000 1.368 5339 F HN -0.249 nan 8.300 nan 0.000 0.505 5340 P HA 0.212 nan 4.420 nan 0.000 0.245 5340 P C -0.643 176.649 177.300 -0.014 0.000 1.203 5340 P CA 0.870 63.984 63.100 0.022 0.000 0.792 5340 P CB 0.754 32.471 31.700 0.028 0.000 0.997 5341 L N 0.654 121.885 121.223 0.012 0.000 2.349 5341 L HA 0.435 4.492 4.340 -0.472 0.000 0.278 5341 L C -0.327 176.542 176.870 -0.002 0.000 0.996 5341 L CA -0.828 54.005 54.840 -0.013 0.000 0.825 5341 L CB 1.978 44.028 42.059 -0.014 0.000 1.243 5341 L HN -0.289 nan 8.230 nan 0.000 0.412 5342 D N 3.738 124.129 120.400 -0.015 0.000 2.411 5342 D HA 0.196 4.553 4.640 -0.472 0.000 0.225 5342 D C 0.343 176.641 176.300 -0.002 0.000 1.156 5342 D CA -0.329 53.683 54.000 0.021 0.000 0.874 5342 D CB 1.083 41.928 40.800 0.075 0.000 1.034 5342 D HN 0.281 nan 8.370 nan 0.000 0.502 5343 L N 2.282 123.504 121.223 -0.001 0.000 2.645 5343 L HA 0.493 4.550 4.340 -0.472 0.000 0.234 5343 L C 0.733 177.579 176.870 -0.041 0.000 1.165 5343 L CA -0.112 54.711 54.840 -0.027 0.000 0.944 5343 L CB -1.963 40.082 42.059 -0.023 0.000 1.149 5343 L HN 0.481 nan 8.230 nan 0.000 0.446 5344 A N 0.000 122.805 122.820 -0.025 0.000 2.254 5344 A HA 0.000 4.037 4.320 -0.472 0.000 0.244 5344 A CA 0.000 52.010 52.037 -0.046 0.000 0.836 5344 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 5344 A HN 0.000 nan 8.150 nan 0.000 0.486