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 3izi_1_K DATA FIRST_RESID 5131 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 5131 V HA 0.000 nan 4.120 nan 0.000 0.244 5131 V C 0.000 176.094 176.094 0.000 0.000 1.182 5131 V CA 0.000 62.300 62.300 0.000 0.000 1.235 5131 V CB 0.000 31.825 31.823 0.003 0.000 1.184 5132 L N 3.835 125.057 121.223 -0.002 0.000 2.334 5132 L HA 0.625 4.965 4.340 -0.001 0.000 0.277 5132 L C -2.016 174.850 176.870 -0.006 0.000 1.075 5132 L CA -1.443 53.395 54.840 -0.003 0.000 0.804 5132 L CB 0.255 42.310 42.059 -0.007 0.000 1.174 5132 L HN 0.169 nan 8.230 nan 0.000 0.438 5133 P HA 0.068 nan 4.420 nan 0.000 0.272 5133 P C -0.636 176.658 177.300 -0.010 0.000 1.223 5133 P CA -0.571 62.525 63.100 -0.006 0.000 0.784 5133 P CB 0.579 32.276 31.700 -0.004 0.000 0.923 5134 E N 1.884 122.078 120.200 -0.010 0.000 2.415 5134 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 5134 E C 0.628 177.220 176.600 -0.013 0.000 1.016 5134 E CA 0.812 57.205 56.400 -0.012 0.000 0.924 5134 E CB -0.438 29.256 29.700 -0.010 0.000 0.961 5134 E HN 0.610 nan 8.360 nan 0.000 0.459 5135 N N 2.356 121.045 118.700 -0.017 0.000 2.990 5135 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 5135 N C -0.633 174.865 175.510 -0.019 0.000 1.452 5135 N CA 0.872 53.912 53.050 -0.017 0.000 1.624 5135 N CB -1.140 37.340 38.487 -0.011 0.000 1.088 5135 N HN 0.483 nan 8.380 nan 0.000 0.695 5136 M N 2.607 122.196 119.600 -0.017 0.000 2.238 5136 M HA 0.259 4.739 4.480 -0.001 0.000 0.350 5136 M C -0.418 175.860 176.300 -0.037 0.000 1.321 5136 M CA 0.494 55.785 55.300 -0.015 0.000 1.097 5136 M CB 0.557 33.153 32.600 -0.007 0.000 1.713 5136 M HN 0.055 nan 8.290 nan 0.000 0.455 5137 K N 4.210 124.586 120.400 -0.040 0.000 2.143 5137 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 5137 K C -0.639 175.871 176.600 -0.150 0.000 1.001 5137 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 5137 K CB 1.421 33.840 32.500 -0.135 0.000 1.047 5137 K HN 0.635 nan 8.250 nan 0.000 0.458 5138 R N 2.450 122.778 120.500 -0.287 0.000 2.628 5138 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 5138 R C -1.601 174.483 176.300 -0.360 0.000 0.980 5138 R CA -0.587 55.399 56.100 -0.191 0.000 0.891 5138 R CB 0.949 31.200 30.300 -0.083 0.000 1.188 5138 R HN 0.534 nan 8.270 nan 0.000 0.450 5139 Y N 4.576 124.886 120.300 0.018 0.000 2.446 5139 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 5139 Y C 0.262 176.168 175.900 0.010 0.000 0.984 5139 Y CA -0.893 57.216 58.100 0.016 0.000 1.058 5139 Y CB 2.209 40.684 38.460 0.024 0.000 1.220 5139 Y HN 0.404 nan 8.280 nan 0.000 0.455 5140 M N 1.101 120.785 119.600 0.140 0.000 2.534 5140 M HA 0.755 5.234 4.480 -0.001 0.000 0.280 5140 M C 0.043 176.377 176.300 0.057 0.000 1.217 5140 M CA -0.203 55.144 55.300 0.078 0.000 0.893 5140 M CB 1.311 33.936 32.600 0.042 0.000 1.730 5140 M HN 0.845 nan 8.290 nan 0.000 0.483 5141 G N 3.035 111.855 108.800 0.034 0.000 2.629 5141 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.313 5141 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.313 5141 G C 0.510 175.416 174.900 0.010 0.000 1.217 5141 G CA 1.523 46.629 45.100 0.010 0.000 0.994 5141 G HN 1.172 nan 8.290 nan 0.000 0.549 5142 R N 1.027 121.530 120.500 0.005 0.000 2.159 5142 R HA -0.004 4.336 4.340 -0.001 0.000 0.237 5142 R C 2.129 178.447 176.300 0.031 0.000 1.131 5142 R CA 2.630 58.733 56.100 0.005 0.000 0.982 5142 R CB -0.621 29.679 30.300 0.001 0.000 0.868 5142 R HN 0.602 nan 8.270 nan 0.000 0.453 5143 D N -0.424 120.017 120.400 0.067 0.000 2.162 5143 D HA -0.011 4.629 4.640 -0.001 0.000 0.203 5143 D C 1.618 178.015 176.300 0.161 0.000 0.967 5143 D CA 1.378 55.463 54.000 0.141 0.000 0.840 5143 D CB -0.137 40.775 40.800 0.187 0.000 0.972 5143 D HN 0.354 nan 8.370 nan 0.000 0.482 5144 A N 1.091 123.991 122.820 0.133 0.000 1.930 5144 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 5144 A C 2.146 179.723 177.584 -0.012 0.000 1.175 5144 A CA 1.151 53.239 52.037 0.085 0.000 0.627 5144 A CB -0.233 18.818 19.000 0.086 0.000 0.815 5144 A HN 0.064 nan 8.150 nan 0.000 0.443 5145 Q N -0.701 119.096 119.800 -0.006 0.000 2.062 5145 Q HA -0.098 4.241 4.340 -0.001 0.000 0.196 5145 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 5145 Q CA 1.375 57.163 55.803 -0.026 0.000 0.832 5145 Q CB -0.412 28.312 28.738 -0.022 0.000 0.899 5145 Q HN 0.750 nan 8.270 nan 0.000 0.442 5146 R N 0.296 120.777 120.500 -0.032 0.000 2.083 5146 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 5146 R C 2.285 178.522 176.300 -0.104 0.000 1.137 5146 R CA 1.367 57.441 56.100 -0.044 0.000 0.951 5146 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 5146 R HN 0.184 nan 8.270 nan 0.000 0.434 5147 M N 1.034 120.540 119.600 -0.157 0.000 2.086 5147 M HA -0.163 4.317 4.480 -0.001 0.000 0.261 5147 M C 1.157 177.250 176.300 -0.344 0.000 1.067 5147 M CA 1.814 56.911 55.300 -0.338 0.000 1.116 5147 M CB -0.770 31.398 32.600 -0.720 0.000 1.348 5147 M HN 0.136 nan 8.290 nan 0.000 0.407 5148 N N 0.862 119.424 118.700 -0.230 0.000 2.166 5148 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 5148 N C 1.809 177.234 175.510 -0.141 0.000 1.019 5148 N CA 1.439 54.389 53.050 -0.166 0.000 0.856 5148 N CB -0.464 37.971 38.487 -0.088 0.000 0.993 5148 N HN 0.483 nan 8.380 nan 0.000 0.426 5149 I N 0.129 120.630 120.570 -0.115 0.000 2.315 5149 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 5149 I C 1.609 177.655 176.117 -0.117 0.000 1.117 5149 I CA 0.541 61.790 61.300 -0.084 0.000 1.404 5149 I CB -0.034 37.935 38.000 -0.051 0.000 1.071 5149 I HN 0.019 nan 8.210 nan 0.000 0.419 5150 L N 0.659 121.782 121.223 -0.167 0.000 2.093 5150 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 5150 L C 2.662 179.377 176.870 -0.259 0.000 1.085 5150 L CA 1.967 56.694 54.840 -0.189 0.000 0.755 5150 L CB -1.263 40.675 42.059 -0.201 0.000 0.904 5150 L HN 0.183 nan 8.230 nan 0.000 0.435 5151 A N -0.625 121.957 122.820 -0.397 0.000 1.858 5151 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 5151 A C 2.409 179.900 177.584 -0.157 0.000 1.190 5151 A CA 1.722 53.517 52.037 -0.404 0.000 0.617 5151 A CB -1.342 17.405 19.000 -0.422 0.000 0.827 5151 A HN 0.419 nan 8.150 nan 0.000 0.443 5152 G N -0.927 107.801 108.800 -0.120 0.000 2.402 5152 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 5152 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 5152 G C 1.746 176.609 174.900 -0.060 0.000 1.162 5152 G CA 0.986 46.046 45.100 -0.066 0.000 0.777 5152 G HN 0.551 nan 8.290 nan 0.000 0.539 5153 R N 0.002 120.459 120.500 -0.072 0.000 2.075 5153 R HA 0.065 4.405 4.340 -0.001 0.000 0.232 5153 R C 2.506 178.775 176.300 -0.052 0.000 1.126 5153 R CA 1.038 57.103 56.100 -0.059 0.000 0.963 5153 R CB -0.311 29.954 30.300 -0.058 0.000 0.858 5153 R HN 0.406 nan 8.270 nan 0.000 0.435 5154 I N 0.778 121.312 120.570 -0.060 0.000 2.226 5154 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 5154 I C 2.069 178.171 176.117 -0.026 0.000 1.100 5154 I CA 0.820 62.097 61.300 -0.039 0.000 1.374 5154 I CB -0.189 37.790 38.000 -0.036 0.000 1.057 5154 I HN 0.212 nan 8.210 nan 0.000 0.413 5155 I N 1.063 121.617 120.570 -0.026 0.000 2.179 5155 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 5155 I C 2.831 178.934 176.117 -0.023 0.000 1.088 5155 I CA 1.775 63.065 61.300 -0.017 0.000 1.357 5155 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 5155 I HN 0.186 nan 8.210 nan 0.000 0.409 5156 A N 0.155 122.956 122.820 -0.032 0.000 1.969 5156 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 5156 A C 2.170 179.733 177.584 -0.035 0.000 1.169 5156 A CA 1.174 53.189 52.037 -0.037 0.000 0.635 5156 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 5156 A HN 0.337 nan 8.150 nan 0.000 0.445 5157 E N -0.298 119.882 120.200 -0.033 0.000 2.110 5157 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 5157 E C 2.084 178.669 176.600 -0.025 0.000 0.988 5157 E CA 1.697 58.080 56.400 -0.030 0.000 0.804 5157 E CB -0.609 29.075 29.700 -0.028 0.000 0.745 5157 E HN 0.600 nan 8.360 nan 0.000 0.458 5158 T N 0.741 115.282 114.554 -0.022 0.000 2.770 5158 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 5158 T C 2.121 176.808 174.700 -0.020 0.000 1.039 5158 T CA 0.972 63.061 62.100 -0.018 0.000 1.142 5158 T CB -0.098 68.763 68.868 -0.012 0.000 0.868 5158 T HN -0.036 nan 8.240 nan 0.000 0.435 5159 V N 2.758 122.658 119.914 -0.022 0.000 2.591 5159 V HA -0.112 4.008 4.120 -0.001 0.000 0.249 5159 V C 2.629 178.706 176.094 -0.028 0.000 1.053 5159 V CA 1.500 63.786 62.300 -0.023 0.000 1.068 5159 V CB -0.679 31.131 31.823 -0.023 0.000 0.689 5159 V HN 0.522 nan 8.190 nan 0.000 0.462 5160 R N 1.661 122.142 120.500 -0.033 0.000 2.200 5160 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 5160 R C 2.064 178.342 176.300 -0.037 0.000 1.127 5160 R CA 1.729 57.806 56.100 -0.038 0.000 0.989 5160 R CB -0.883 29.392 30.300 -0.042 0.000 0.869 5160 R HN 0.598 nan 8.270 nan 0.000 0.459 5161 S N 0.286 115.966 115.700 -0.033 0.000 2.555 5161 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 5161 S C 1.698 176.279 174.600 -0.033 0.000 0.978 5161 S CA 0.823 59.003 58.200 -0.033 0.000 0.934 5161 S CB -0.062 63.121 63.200 -0.028 0.000 0.766 5161 S HN 0.587 nan 8.310 nan 0.000 0.533 5162 T N -1.036 113.500 114.554 -0.030 0.000 3.060 5162 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 5162 T C 0.375 175.057 174.700 -0.031 0.000 1.079 5162 T CA -0.496 61.587 62.100 -0.028 0.000 1.013 5162 T CB -0.446 68.409 68.868 -0.021 0.000 0.975 5162 T HN 0.279 nan 8.240 nan 0.000 0.518 5163 L N 2.850 124.051 121.223 -0.036 0.000 2.462 5163 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 5163 L C 0.702 177.543 176.870 -0.048 0.000 1.166 5163 L CA 1.597 56.413 54.840 -0.039 0.000 0.880 5163 L CB -0.668 41.365 42.059 -0.044 0.000 1.142 5163 L HN 0.703 nan 8.230 nan 0.000 0.473 5164 G N 4.045 112.820 108.800 -0.042 0.000 2.663 5164 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.686 5164 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.686 5164 G C -2.116 172.745 174.900 -0.064 0.000 1.288 5164 G CA -0.456 44.612 45.100 -0.055 0.000 0.836 5164 G HN 0.481 nan 8.290 nan 0.000 0.584 5165 P HA -0.009 nan 4.420 nan 0.000 0.219 5165 P C 1.370 178.555 177.300 -0.192 0.000 1.146 5165 P CA 1.479 64.510 63.100 -0.115 0.000 0.808 5165 P CB 0.054 31.605 31.700 -0.247 0.000 0.779 5166 K N -0.782 119.480 120.400 -0.230 0.000 2.437 5166 K HA 0.266 4.585 4.320 -0.001 0.000 0.205 5166 K C 0.932 177.470 176.600 -0.103 0.000 1.026 5166 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 5166 K CB -0.301 32.070 32.500 -0.214 0.000 0.863 5166 K HN 0.016 nan 8.250 nan 0.000 0.502 5167 G N 0.525 109.277 108.800 -0.079 0.000 2.594 5167 G HA2 0.167 4.127 3.960 -0.001 0.000 0.243 5167 G HA3 0.167 4.127 3.960 -0.001 0.000 0.243 5167 G C 0.037 174.913 174.900 -0.040 0.000 1.229 5167 G CA -0.385 44.684 45.100 -0.053 0.000 0.843 5167 G HN -0.020 nan 8.290 nan 0.000 0.578 5168 M N 0.073 119.653 119.600 -0.033 0.000 2.705 5168 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 5168 M C -0.482 175.806 176.300 -0.021 0.000 1.172 5168 M CA -0.576 54.708 55.300 -0.026 0.000 0.901 5168 M CB 1.235 33.819 32.600 -0.027 0.000 1.516 5168 M HN 0.344 nan 8.290 nan 0.000 0.530 5169 D N 0.555 120.943 120.400 -0.019 0.000 2.326 5169 D HA 0.473 5.112 4.640 -0.001 0.000 0.248 5169 D C -0.532 175.756 176.300 -0.019 0.000 1.001 5169 D CA -0.335 53.655 54.000 -0.017 0.000 0.961 5169 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 5169 D HN 0.089 nan 8.370 nan 0.000 0.502 5170 K N 0.777 121.166 120.400 -0.019 0.000 2.259 5170 K HA 0.433 4.753 4.320 -0.001 0.000 0.252 5170 K C -0.578 176.007 176.600 -0.024 0.000 0.936 5170 K CA -0.651 55.625 56.287 -0.019 0.000 0.810 5170 K CB 2.308 34.799 32.500 -0.015 0.000 1.143 5170 K HN 0.428 nan 8.250 nan 0.000 0.427 5171 M N 4.055 123.639 119.600 -0.026 0.000 2.036 5171 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 5171 M C -1.544 174.740 176.300 -0.026 0.000 1.012 5171 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 5171 M CB 0.315 32.893 32.600 -0.036 0.000 1.423 5171 M HN 0.333 nan 8.290 nan 0.000 0.405 5172 L N 5.964 127.172 121.223 -0.025 0.000 2.265 5172 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 5172 L C -0.820 176.041 176.870 -0.016 0.000 1.033 5172 L CA -0.236 54.595 54.840 -0.016 0.000 0.814 5172 L CB 1.665 43.718 42.059 -0.010 0.000 1.203 5172 L HN 0.415 nan 8.230 nan 0.000 0.423 5173 V N 2.955 122.862 119.914 -0.012 0.000 2.384 5173 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 5173 V C -0.198 175.894 176.094 -0.004 0.000 1.020 5173 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 5173 V CB 1.522 33.339 31.823 -0.011 0.000 0.987 5173 V HN 0.789 nan 8.190 nan 0.000 0.436 5174 D N 2.374 122.774 120.400 0.000 0.000 2.447 5174 D HA 0.054 4.694 4.640 -0.001 0.000 0.265 5174 D C 0.889 177.190 176.300 0.002 0.000 1.250 5174 D CA -0.473 53.529 54.000 0.002 0.000 1.046 5174 D CB 0.645 41.448 40.800 0.006 0.000 1.095 5174 D HN 0.429 nan 8.370 nan 0.000 0.555 5175 D N -1.691 118.710 120.400 0.002 0.000 2.219 5175 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 5175 D C 1.495 177.797 176.300 0.003 0.000 0.970 5175 D CA 0.686 54.688 54.000 0.002 0.000 0.851 5175 D CB 0.005 40.805 40.800 0.001 0.000 0.943 5175 D HN 0.193 nan 8.370 nan 0.000 0.488 5176 L N -1.099 120.127 121.223 0.005 0.000 2.558 5176 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 5176 L C 2.043 178.917 176.870 0.008 0.000 1.128 5176 L CA 0.973 55.817 54.840 0.007 0.000 0.868 5176 L CB 0.133 42.197 42.059 0.008 0.000 1.006 5176 L HN 0.276 nan 8.230 nan 0.000 0.454 5177 G N -1.498 107.306 108.800 0.007 0.000 2.213 5177 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 5177 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 5177 G C 0.321 175.227 174.900 0.011 0.000 0.992 5177 G CA 0.113 45.218 45.100 0.007 0.000 0.632 5177 G HN 0.333 nan 8.290 nan 0.000 0.511 5178 D N 0.951 121.361 120.400 0.017 0.000 2.401 5178 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 5178 D C 0.258 176.569 176.300 0.019 0.000 1.192 5178 D CA 0.502 54.520 54.000 0.029 0.000 0.885 5178 D CB 1.315 42.136 40.800 0.034 0.000 1.147 5178 D HN 0.587 nan 8.370 nan 0.000 0.478 5179 V N 4.888 124.809 119.914 0.012 0.000 2.555 5179 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 5179 V C -1.054 175.014 176.094 -0.044 0.000 1.038 5179 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 5179 V CB 1.904 33.694 31.823 -0.055 0.000 0.991 5179 V HN 0.344 nan 8.190 nan 0.000 0.434 5180 V N 6.932 126.823 119.914 -0.038 0.000 2.604 5180 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 5180 V C -0.893 175.169 176.094 -0.053 0.000 1.043 5180 V CA -0.232 62.048 62.300 -0.032 0.000 0.888 5180 V CB 2.272 34.105 31.823 0.016 0.000 0.995 5180 V HN 0.786 nan 8.190 nan 0.000 0.429 5181 V N 5.852 125.726 119.914 -0.067 0.000 2.417 5181 V HA 0.789 4.908 4.120 -0.001 0.000 0.291 5181 V C 0.089 176.172 176.094 -0.018 0.000 1.024 5181 V CA 0.019 62.288 62.300 -0.052 0.000 0.861 5181 V CB 1.594 33.373 31.823 -0.075 0.000 0.985 5181 V HN 1.074 nan 8.190 nan 0.000 0.436 5182 T N 2.594 117.140 114.554 -0.013 0.000 2.769 5182 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 5182 T C 0.071 174.767 174.700 -0.006 0.000 1.400 5182 T CA -0.360 61.738 62.100 -0.003 0.000 1.007 5182 T CB 1.995 70.865 68.868 0.003 0.000 1.392 5182 T HN 0.656 nan 8.240 nan 0.000 0.500 5183 N N 0.808 119.506 118.700 -0.002 0.000 2.210 5183 N HA 0.081 4.821 4.740 -0.001 0.000 0.203 5183 N C -0.313 175.194 175.510 -0.004 0.000 1.175 5183 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 5183 N CB 0.471 38.956 38.487 -0.004 0.000 1.041 5183 N HN 0.693 nan 8.380 nan 0.000 0.506 5184 D N -0.101 120.299 120.400 -0.001 0.000 2.401 5184 D HA 0.186 4.825 4.640 -0.001 0.000 0.254 5184 D C 1.497 177.795 176.300 -0.003 0.000 1.192 5184 D CA 0.291 54.291 54.000 -0.000 0.000 0.885 5184 D CB 1.012 41.814 40.800 0.004 0.000 1.147 5184 D HN 0.269 nan 8.370 nan 0.000 0.478 5185 G N 2.612 111.409 108.800 -0.005 0.000 2.440 5185 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 5185 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 5185 G C 1.513 176.411 174.900 -0.004 0.000 1.154 5185 G CA 0.731 45.827 45.100 -0.007 0.000 0.767 5185 G HN 0.488 nan 8.290 nan 0.000 0.552 5186 V N 0.824 120.737 119.914 -0.002 0.000 2.270 5186 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 5186 V C 3.179 179.274 176.094 0.001 0.000 1.043 5186 V CA 2.383 64.683 62.300 0.000 0.000 1.014 5186 V CB -0.905 30.919 31.823 0.001 0.000 0.645 5186 V HN 0.401 nan 8.190 nan 0.000 0.447 5187 T N 0.389 114.944 114.554 0.002 0.000 2.720 5187 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 5187 T C 1.795 176.496 174.700 0.002 0.000 1.037 5187 T CA 1.951 64.054 62.100 0.004 0.000 1.144 5187 T CB -0.312 68.559 68.868 0.006 0.000 0.864 5187 T HN 0.338 nan 8.240 nan 0.000 0.444 5188 I N 0.247 120.817 120.570 -0.000 0.000 2.179 5188 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 5188 I C 2.114 178.231 176.117 -0.000 0.000 1.088 5188 I CA 1.006 62.305 61.300 -0.002 0.000 1.357 5188 I CB -0.282 37.715 38.000 -0.005 0.000 1.051 5188 I HN 0.156 nan 8.210 nan 0.000 0.409 5189 L N 0.170 121.393 121.223 0.000 0.000 2.156 5189 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 5189 L C 2.492 179.364 176.870 0.003 0.000 1.095 5189 L CA 1.496 56.337 54.840 0.002 0.000 0.770 5189 L CB -0.957 41.103 42.059 0.001 0.000 0.914 5189 L HN 0.151 nan 8.230 nan 0.000 0.439 5190 R N -0.106 120.396 120.500 0.003 0.000 2.066 5190 R HA -0.106 4.233 4.340 -0.001 0.000 0.232 5190 R C 1.924 178.226 176.300 0.004 0.000 1.131 5190 R CA 1.238 57.340 56.100 0.004 0.000 0.955 5190 R CB 0.044 30.346 30.300 0.004 0.000 0.851 5190 R HN 0.320 nan 8.270 nan 0.000 0.432 5191 E N 1.038 121.240 120.200 0.003 0.000 2.112 5191 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 5191 E C 1.208 177.809 176.600 0.002 0.000 0.979 5191 E CA 0.536 56.938 56.400 0.004 0.000 0.814 5191 E CB -0.355 29.348 29.700 0.004 0.000 0.762 5191 E HN 0.462 nan 8.360 nan 0.000 0.460 5192 M N 0.715 120.316 119.600 0.002 0.000 2.252 5192 M HA 0.098 4.577 4.480 -0.001 0.000 0.333 5192 M C 0.208 176.509 176.300 0.002 0.000 1.111 5192 M CA 0.141 55.442 55.300 0.002 0.000 1.140 5192 M CB 0.433 33.035 32.600 0.002 0.000 1.538 5192 M HN -0.230 nan 8.290 nan 0.000 0.448 5193 S N 2.361 118.061 115.700 0.000 0.000 2.955 5193 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 5193 S C -0.254 174.344 174.600 -0.003 0.000 1.198 5193 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 5193 S CB -0.354 62.843 63.200 -0.005 0.000 1.279 5193 S HN 0.570 nan 8.310 nan 0.000 0.508 5194 V N 3.393 123.307 119.914 0.000 0.000 2.686 5194 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 5194 V C 1.394 177.478 176.094 -0.016 0.000 1.055 5194 V CA -0.101 62.202 62.300 0.005 0.000 1.050 5194 V CB 1.269 33.103 31.823 0.018 0.000 0.984 5194 V HN 0.874 nan 8.190 nan 0.000 0.482 5195 E N 1.934 122.107 120.200 -0.045 0.000 2.256 5195 E HA 0.034 4.383 4.350 -0.001 0.000 0.198 5195 E C 0.458 176.968 176.600 -0.150 0.000 0.908 5195 E CA 0.195 56.519 56.400 -0.127 0.000 0.915 5195 E CB 0.297 29.863 29.700 -0.224 0.000 0.890 5195 E HN 0.743 nan 8.360 nan 0.000 0.484 5196 H N 1.674 120.732 119.070 -0.019 0.000 2.848 5196 H HA 0.075 4.630 4.556 -0.000 0.000 0.317 5196 H C -1.676 173.637 175.328 -0.026 0.000 1.046 5196 H CA -1.219 54.807 56.048 -0.036 0.000 1.470 5196 H CB 1.139 30.866 29.762 -0.059 0.000 1.483 5196 H HN 0.082 nan 8.280 nan 0.000 0.548 5197 P HA -0.134 nan 4.420 nan 0.000 0.218 5197 P C 1.335 178.660 177.300 0.042 0.000 1.148 5197 P CA 1.495 64.624 63.100 0.048 0.000 0.822 5197 P CB 0.269 31.992 31.700 0.039 0.000 0.784 5198 A N 0.243 123.089 122.820 0.043 0.000 1.902 5198 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 5198 A C 2.331 179.923 177.584 0.013 0.000 1.181 5198 A CA 2.156 54.199 52.037 0.011 0.000 0.623 5198 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 5198 A HN 0.203 nan 8.150 nan 0.000 0.443 5199 A N -0.282 122.558 122.820 0.033 0.000 1.933 5199 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 5199 A C 2.070 179.669 177.584 0.025 0.000 1.175 5199 A CA 1.731 53.785 52.037 0.028 0.000 0.628 5199 A CB -0.407 18.626 19.000 0.055 0.000 0.814 5199 A HN 0.555 nan 8.150 nan 0.000 0.444 5200 K N -0.994 119.424 120.400 0.031 0.000 2.147 5200 K HA -0.065 4.255 4.320 -0.001 0.000 0.205 5200 K C 1.829 178.439 176.600 0.017 0.000 1.049 5200 K CA 1.326 57.626 56.287 0.021 0.000 0.936 5200 K CB -0.185 32.327 32.500 0.021 0.000 0.722 5200 K HN 0.376 nan 8.250 nan 0.000 0.446 5201 M N 0.345 119.955 119.600 0.017 0.000 2.334 5201 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 5201 M C 2.136 178.444 176.300 0.013 0.000 1.082 5201 M CA 1.027 56.336 55.300 0.015 0.000 1.141 5201 M CB -0.607 32.004 32.600 0.017 0.000 1.380 5201 M HN 0.183 nan 8.290 nan 0.000 0.440 5202 L N 0.336 121.565 121.223 0.010 0.000 2.083 5202 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 5202 L C 2.218 179.091 176.870 0.005 0.000 1.083 5202 L CA 1.041 55.884 54.840 0.006 0.000 0.752 5202 L CB -0.198 41.860 42.059 -0.001 0.000 0.899 5202 L HN 0.181 nan 8.230 nan 0.000 0.433 5203 I N -0.317 120.257 120.570 0.006 0.000 2.335 5203 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 5203 I C 2.368 178.488 176.117 0.005 0.000 1.129 5203 I CA 1.040 62.344 61.300 0.005 0.000 1.402 5203 I CB -0.341 37.663 38.000 0.007 0.000 1.069 5203 I HN 0.306 nan 8.210 nan 0.000 0.424 5204 E N 0.394 120.598 120.200 0.008 0.000 2.204 5204 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 5204 E C 2.401 179.005 176.600 0.007 0.000 0.990 5204 E CA 1.061 57.465 56.400 0.008 0.000 0.821 5204 E CB -0.208 29.498 29.700 0.010 0.000 0.750 5204 E HN 0.384 nan 8.360 nan 0.000 0.477 5205 V N 1.489 121.407 119.914 0.007 0.000 2.307 5205 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 5205 V C 2.480 178.575 176.094 0.002 0.000 1.045 5205 V CA 1.756 64.059 62.300 0.006 0.000 1.024 5205 V CB -0.854 30.972 31.823 0.005 0.000 0.651 5205 V HN 0.241 nan 8.190 nan 0.000 0.449 5206 A N -0.284 122.537 122.820 0.000 0.000 1.940 5206 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 5206 A C 2.295 179.879 177.584 0.001 0.000 1.176 5206 A CA 2.033 54.069 52.037 -0.001 0.000 0.631 5206 A CB -0.417 18.582 19.000 -0.002 0.000 0.814 5206 A HN 0.557 nan 8.150 nan 0.000 0.446 5207 K N -1.607 118.794 120.400 0.002 0.000 2.062 5207 K HA -0.082 4.238 4.320 -0.001 0.000 0.205 5207 K C 2.138 178.740 176.600 0.003 0.000 1.051 5207 K CA 1.535 57.823 56.287 0.003 0.000 0.941 5207 K CB -0.368 32.134 32.500 0.004 0.000 0.719 5207 K HN 0.422 nan 8.250 nan 0.000 0.440 5208 T N 0.775 115.331 114.554 0.004 0.000 2.995 5208 T HA -0.074 4.276 4.350 -0.001 0.000 0.269 5208 T C 1.775 176.477 174.700 0.004 0.000 1.091 5208 T CA 0.810 62.913 62.100 0.004 0.000 1.128 5208 T CB 0.066 68.938 68.868 0.006 0.000 0.891 5208 T HN 0.085 nan 8.240 nan 0.000 0.492 5209 Q N 0.956 120.758 119.800 0.003 0.000 2.020 5209 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 5209 Q C 2.301 178.302 176.000 0.001 0.000 0.982 5209 Q CA 1.237 57.041 55.803 0.001 0.000 0.838 5209 Q CB -0.484 28.253 28.738 -0.001 0.000 0.899 5209 Q HN 0.539 nan 8.270 nan 0.000 0.423 5210 E N 0.903 121.104 120.200 0.001 0.000 2.106 5210 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 5210 E C 1.720 178.321 176.600 0.002 0.000 0.984 5210 E CA 0.954 57.355 56.400 0.002 0.000 0.806 5210 E CB 0.230 29.930 29.700 0.001 0.000 0.750 5210 E HN 0.282 nan 8.360 nan 0.000 0.458 5211 K N 0.073 120.474 120.400 0.002 0.000 2.076 5211 K HA -0.127 4.192 4.320 -0.001 0.000 0.204 5211 K C 2.154 178.755 176.600 0.002 0.000 1.051 5211 K CA 1.184 57.472 56.287 0.002 0.000 0.949 5211 K CB -0.012 32.489 32.500 0.002 0.000 0.726 5211 K HN -0.088 nan 8.250 nan 0.000 0.443 5212 E N 0.337 120.538 120.200 0.002 0.000 2.060 5212 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 5212 E C 1.594 178.195 176.600 0.002 0.000 0.974 5212 E CA 1.103 57.505 56.400 0.003 0.000 0.808 5212 E CB 0.516 30.218 29.700 0.003 0.000 0.768 5212 E HN 0.160 nan 8.360 nan 0.000 0.453 5213 V N -4.941 114.975 119.914 0.002 0.000 3.497 5213 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 5213 V C 1.389 177.485 176.094 0.003 0.000 1.474 5213 V CA 0.742 63.043 62.300 0.003 0.000 1.025 5213 V CB 0.494 32.319 31.823 0.003 0.000 0.820 5213 V HN 0.304 nan 8.190 nan 0.000 0.437 5214 G N 0.692 109.493 108.800 0.002 0.000 3.586 5214 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 5214 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 5214 G C 0.203 175.104 174.900 0.002 0.000 1.411 5214 G CA 0.498 45.600 45.100 0.003 0.000 0.898 5214 G HN 0.628 nan 8.290 nan 0.000 0.575 5215 D N 0.801 121.203 120.400 0.003 0.000 2.511 5215 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 5215 D C 1.519 177.819 176.300 -0.001 0.000 1.220 5215 D CA 1.158 55.159 54.000 0.002 0.000 1.077 5215 D CB 0.656 41.458 40.800 0.004 0.000 1.126 5215 D HN 1.595 nan 8.370 nan 0.000 0.583 5216 G N -0.628 108.169 108.800 -0.004 0.000 2.143 5216 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.249 5216 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.249 5216 G C 1.036 175.929 174.900 -0.011 0.000 0.981 5216 G CA 1.481 46.575 45.100 -0.008 0.000 0.665 5216 G HN 0.593 nan 8.290 nan 0.000 0.528 5217 T N -2.062 112.487 114.554 -0.009 0.000 2.588 5217 T HA -0.149 4.201 4.350 -0.001 0.000 0.261 5217 T C 2.202 176.893 174.700 -0.016 0.000 1.069 5217 T CA 2.619 64.713 62.100 -0.010 0.000 1.172 5217 T CB -1.008 67.856 68.868 -0.007 0.000 0.863 5217 T HN 0.341 nan 8.240 nan 0.000 0.408 5218 T N 1.849 116.393 114.554 -0.017 0.000 2.635 5218 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 5218 T C 2.275 176.955 174.700 -0.032 0.000 1.040 5218 T CA 2.088 64.174 62.100 -0.024 0.000 1.156 5218 T CB -1.240 67.613 68.868 -0.024 0.000 0.863 5218 T HN 0.566 nan 8.240 nan 0.000 0.430 5219 T N 1.999 116.533 114.554 -0.032 0.000 2.635 5219 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 5219 T C 2.345 177.015 174.700 -0.050 0.000 1.040 5219 T CA 1.528 63.602 62.100 -0.042 0.000 1.156 5219 T CB -0.698 68.148 68.868 -0.036 0.000 0.863 5219 T HN 0.473 nan 8.240 nan 0.000 0.430 5220 A N 0.661 123.458 122.820 -0.038 0.000 1.933 5220 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 5220 A C 2.600 180.159 177.584 -0.042 0.000 1.175 5220 A CA 1.436 53.451 52.037 -0.038 0.000 0.628 5220 A CB -0.904 18.084 19.000 -0.020 0.000 0.814 5220 A HN 0.378 nan 8.150 nan 0.000 0.444 5221 V N -0.510 119.383 119.914 -0.036 0.000 2.358 5221 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 5221 V C 2.547 178.612 176.094 -0.048 0.000 1.047 5221 V CA 1.833 64.112 62.300 -0.035 0.000 1.035 5221 V CB -0.733 31.074 31.823 -0.026 0.000 0.658 5221 V HN 0.362 nan 8.190 nan 0.000 0.452 5222 V N 0.848 120.729 119.914 -0.055 0.000 2.307 5222 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 5222 V C 2.581 178.622 176.094 -0.088 0.000 1.045 5222 V CA 2.184 64.445 62.300 -0.065 0.000 1.024 5222 V CB -0.536 31.249 31.823 -0.063 0.000 0.651 5222 V HN 0.564 nan 8.190 nan 0.000 0.449 5223 V N -0.957 118.891 119.914 -0.109 0.000 2.626 5223 V HA -0.063 4.056 4.120 -0.001 0.000 0.252 5223 V C 2.404 178.396 176.094 -0.170 0.000 1.067 5223 V CA 1.683 63.884 62.300 -0.165 0.000 1.081 5223 V CB -1.229 30.473 31.823 -0.203 0.000 0.686 5223 V HN 0.372 nan 8.190 nan 0.000 0.468 5224 A N 1.574 124.327 122.820 -0.111 0.000 1.873 5224 A HA 0.096 4.415 4.320 -0.001 0.000 0.215 5224 A C 2.396 179.943 177.584 -0.062 0.000 1.186 5224 A CA 1.856 53.847 52.037 -0.076 0.000 0.616 5224 A CB -1.482 17.494 19.000 -0.040 0.000 0.823 5224 A HN 0.670 nan 8.150 nan 0.000 0.442 5225 G N -0.741 108.022 108.800 -0.061 0.000 2.408 5225 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 5225 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 5225 G C 1.461 176.327 174.900 -0.057 0.000 1.150 5225 G CA 1.290 46.358 45.100 -0.052 0.000 0.776 5225 G HN 0.536 nan 8.290 nan 0.000 0.542 5226 E N 0.336 120.487 120.200 -0.082 0.000 2.072 5226 E HA 0.027 4.376 4.350 -0.001 0.000 0.191 5226 E C 2.527 179.071 176.600 -0.094 0.000 0.985 5226 E CA 0.510 56.856 56.400 -0.091 0.000 0.801 5226 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 5226 E HN 0.419 nan 8.360 nan 0.000 0.452 5227 L N -0.081 121.057 121.223 -0.141 0.000 2.046 5227 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 5227 L C 2.424 179.327 176.870 0.056 0.000 1.077 5227 L CA 0.943 55.688 54.840 -0.158 0.000 0.747 5227 L CB -0.384 41.499 42.059 -0.293 0.000 0.896 5227 L HN 0.220 nan 8.230 nan 0.000 0.432 5228 L N -0.763 120.484 121.223 0.040 0.000 2.046 5228 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 5228 L C 2.825 179.719 176.870 0.041 0.000 1.077 5228 L CA 1.126 56.003 54.840 0.061 0.000 0.747 5228 L CB -0.517 41.550 42.059 0.013 0.000 0.896 5228 L HN 0.256 nan 8.230 nan 0.000 0.432 5229 R N 0.345 120.852 120.500 0.010 0.000 2.083 5229 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 5229 R C 2.286 178.603 176.300 0.029 0.000 1.137 5229 R CA 1.300 57.403 56.100 0.005 0.000 0.951 5229 R CB 0.053 30.344 30.300 -0.015 0.000 0.851 5229 R HN 0.148 nan 8.270 nan 0.000 0.434 5230 K N 0.225 120.655 120.400 0.050 0.000 2.148 5230 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 5230 K C 1.945 178.625 176.600 0.134 0.000 1.050 5230 K CA 1.185 57.525 56.287 0.089 0.000 0.942 5230 K CB -0.329 32.233 32.500 0.102 0.000 0.724 5230 K HN 0.273 nan 8.250 nan 0.000 0.446 5231 A N 1.425 124.346 122.820 0.168 0.000 1.883 5231 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 5231 A C 2.198 179.806 177.584 0.040 0.000 1.186 5231 A CA 1.917 54.030 52.037 0.126 0.000 0.624 5231 A CB -0.466 18.615 19.000 0.135 0.000 0.822 5231 A HN 0.457 nan 8.150 nan 0.000 0.444 5232 E N -0.471 119.747 120.200 0.030 0.000 2.106 5232 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 5232 E C 2.004 178.609 176.600 0.008 0.000 0.984 5232 E CA 1.125 57.528 56.400 0.006 0.000 0.806 5232 E CB -0.149 29.551 29.700 0.001 0.000 0.750 5232 E HN 0.750 nan 8.360 nan 0.000 0.458 5233 E N -0.086 120.127 120.200 0.021 0.000 2.070 5233 E HA -0.235 4.115 4.350 -0.001 0.000 0.197 5233 E C 1.911 178.522 176.600 0.019 0.000 1.004 5233 E CA 1.141 57.553 56.400 0.021 0.000 0.805 5233 E CB 0.050 29.767 29.700 0.030 0.000 0.744 5233 E HN 0.209 nan 8.360 nan 0.000 0.451 5234 L N 0.279 121.518 121.223 0.025 0.000 2.109 5234 L HA -0.123 4.217 4.340 -0.001 0.000 0.207 5234 L C 2.262 179.128 176.870 -0.008 0.000 1.086 5234 L CA 0.964 55.813 54.840 0.015 0.000 0.760 5234 L CB -0.694 41.376 42.059 0.019 0.000 0.910 5234 L HN 0.234 nan 8.230 nan 0.000 0.437 5235 L N -0.654 120.556 121.223 -0.021 0.000 2.083 5235 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 5235 L C 2.120 178.972 176.870 -0.030 0.000 1.083 5235 L CA 1.649 56.463 54.840 -0.043 0.000 0.752 5235 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 5235 L HN 0.280 nan 8.230 nan 0.000 0.433 5236 D N -1.814 118.577 120.400 -0.015 0.000 2.249 5236 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 5236 D C 1.777 178.076 176.300 -0.003 0.000 0.962 5236 D CA 0.469 54.464 54.000 -0.009 0.000 0.860 5236 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 5236 D HN 0.192 nan 8.370 nan 0.000 0.505 5237 Q N 0.143 119.943 119.800 0.001 0.000 2.373 5237 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 5237 Q C 0.004 176.008 176.000 0.007 0.000 0.942 5237 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 5237 Q CB 0.204 28.949 28.738 0.012 0.000 1.022 5237 Q HN 0.252 nan 8.270 nan 0.000 0.502 5238 N N -0.854 117.848 118.700 0.003 0.000 2.861 5238 N HA -0.139 4.601 4.740 -0.001 0.000 0.247 5238 N C -1.582 173.939 175.510 0.019 0.000 1.117 5238 N CA 0.262 53.318 53.050 0.010 0.000 0.703 5238 N CB -1.070 37.425 38.487 0.013 0.000 1.052 5238 N HN -0.046 nan 8.380 nan 0.000 0.555 5239 V N 1.822 121.742 119.914 0.010 0.000 2.334 5239 V HA 0.230 4.350 4.120 -0.001 0.000 0.281 5239 V C 0.621 176.727 176.094 0.019 0.000 1.016 5239 V CA -0.870 61.441 62.300 0.019 0.000 0.832 5239 V CB 1.246 33.072 31.823 0.004 0.000 0.999 5239 V HN 0.306 nan 8.190 nan 0.000 0.439 5240 H N 7.783 126.833 119.070 -0.033 0.000 2.928 5240 H HA 0.097 4.653 4.556 -0.000 0.000 0.338 5240 H C -1.731 173.565 175.328 -0.053 0.000 1.047 5240 H CA -1.269 54.758 56.048 -0.035 0.000 1.435 5240 H CB 1.946 31.690 29.762 -0.029 0.000 1.428 5240 H HN 0.351 nan 8.280 nan 0.000 0.590 5241 P HA -0.188 nan 4.420 nan 0.000 0.217 5241 P C 1.402 178.729 177.300 0.046 0.000 1.148 5241 P CA 2.464 65.502 63.100 -0.102 0.000 0.834 5241 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 5242 T N -4.098 110.633 114.554 0.295 0.000 2.995 5242 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 5242 T C 1.624 176.347 174.700 0.039 0.000 1.091 5242 T CA 0.808 62.993 62.100 0.141 0.000 1.128 5242 T CB -0.941 67.986 68.868 0.099 0.000 0.891 5242 T HN -0.048 nan 8.240 nan 0.000 0.492 5243 I N 0.879 121.477 120.570 0.046 0.000 2.480 5243 I HA 0.042 4.212 4.170 -0.001 0.000 0.251 5243 I C 2.576 178.641 176.117 -0.088 0.000 1.124 5243 I CA 0.385 61.675 61.300 -0.016 0.000 1.444 5243 I CB -0.284 37.719 38.000 0.004 0.000 1.098 5243 I HN 0.072 nan 8.210 nan 0.000 0.428 5244 V N 0.722 120.549 119.914 -0.144 0.000 2.295 5244 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 5244 V C 2.561 178.323 176.094 -0.554 0.000 1.049 5244 V CA 2.039 64.117 62.300 -0.371 0.000 1.024 5244 V CB -0.766 30.843 31.823 -0.356 0.000 0.648 5244 V HN 0.439 nan 8.190 nan 0.000 0.447 5245 V N -0.706 119.038 119.914 -0.283 0.000 2.667 5245 V HA -0.143 3.976 4.120 -0.001 0.000 0.252 5245 V C 2.361 178.413 176.094 -0.069 0.000 1.065 5245 V CA 2.188 64.396 62.300 -0.153 0.000 1.083 5245 V CB -0.798 30.992 31.823 -0.053 0.000 0.692 5245 V HN 0.514 nan 8.190 nan 0.000 0.468 5246 K N 2.305 122.664 120.400 -0.069 0.000 2.031 5246 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 5246 K C 2.122 178.714 176.600 -0.013 0.000 1.049 5246 K CA 2.010 58.279 56.287 -0.029 0.000 0.939 5246 K CB -1.264 31.220 32.500 -0.026 0.000 0.717 5246 K HN 0.426 nan 8.250 nan 0.000 0.438 5247 G N -0.716 108.068 108.800 -0.027 0.000 2.408 5247 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 5247 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 5247 G C 1.135 176.110 174.900 0.125 0.000 1.150 5247 G CA 0.718 45.850 45.100 0.054 0.000 0.776 5247 G HN 0.271 nan 8.290 nan 0.000 0.542 5248 Y N 0.340 120.589 120.300 -0.086 0.000 2.263 5248 Y HA -0.020 4.529 4.550 -0.001 0.000 0.292 5248 Y C 2.853 178.537 175.900 -0.359 0.000 1.130 5248 Y CA 0.914 58.888 58.100 -0.211 0.000 1.179 5248 Y CB -0.929 37.602 38.460 0.118 0.000 0.998 5248 Y HN 0.264 nan 8.280 nan 0.000 0.532 5249 Q N 0.424 120.231 119.800 0.012 0.000 2.079 5249 Q HA -0.048 4.292 4.340 -0.001 0.000 0.200 5249 Q C 2.362 178.304 176.000 -0.098 0.000 0.974 5249 Q CA 1.745 57.528 55.803 -0.032 0.000 0.840 5249 Q CB -0.456 28.286 28.738 0.007 0.000 0.898 5249 Q HN 0.319 nan 8.270 nan 0.000 0.430 5250 A N 0.265 123.053 122.820 -0.054 0.000 1.873 5250 A HA -0.010 4.310 4.320 -0.001 0.000 0.215 5250 A C 2.276 179.817 177.584 -0.073 0.000 1.186 5250 A CA 1.853 53.905 52.037 0.024 0.000 0.616 5250 A CB -1.160 17.930 19.000 0.151 0.000 0.823 5250 A HN 0.500 nan 8.150 nan 0.000 0.442 5251 A N -0.301 122.386 122.820 -0.221 0.000 1.930 5251 A HA 0.225 4.545 4.320 -0.001 0.000 0.217 5251 A C 2.452 179.688 177.584 -0.580 0.000 1.175 5251 A CA 1.882 53.652 52.037 -0.445 0.000 0.627 5251 A CB -0.860 17.764 19.000 -0.625 0.000 0.815 5251 A HN 0.995 nan 8.150 nan 0.000 0.443 5252 A N -1.154 121.256 122.820 -0.684 0.000 1.930 5252 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 5252 A C 2.111 179.603 177.584 -0.153 0.000 1.175 5252 A CA 1.492 53.365 52.037 -0.272 0.000 0.627 5252 A CB -0.391 18.524 19.000 -0.141 0.000 0.815 5252 A HN 0.464 nan 8.150 nan 0.000 0.443 5253 Q N -0.308 119.388 119.800 -0.172 0.000 2.119 5253 Q HA -0.167 4.172 4.340 -0.001 0.000 0.201 5253 Q C 2.017 177.910 176.000 -0.178 0.000 0.972 5253 Q CA 1.846 57.573 55.803 -0.127 0.000 0.847 5253 Q CB -0.337 28.349 28.738 -0.087 0.000 0.903 5253 Q HN 0.632 nan 8.270 nan 0.000 0.433 5254 K N 0.910 121.112 120.400 -0.330 0.000 2.148 5254 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 5254 K C 1.821 178.268 176.600 -0.255 0.000 1.050 5254 K CA 1.149 57.172 56.287 -0.441 0.000 0.942 5254 K CB -0.362 31.491 32.500 -1.079 0.000 0.724 5254 K HN 0.124 nan 8.250 nan 0.000 0.446 5255 A N 0.533 123.243 122.820 -0.184 0.000 1.933 5255 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 5255 A C 2.035 179.596 177.584 -0.039 0.000 1.175 5255 A CA 1.580 53.582 52.037 -0.058 0.000 0.628 5255 A CB -0.484 18.546 19.000 0.049 0.000 0.814 5255 A HN 0.497 nan 8.150 nan 0.000 0.444 5256 Q N -0.876 118.893 119.800 -0.051 0.000 2.084 5256 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 5256 Q C 2.140 178.118 176.000 -0.035 0.000 0.978 5256 Q CA 1.637 57.421 55.803 -0.033 0.000 0.844 5256 Q CB -0.160 28.558 28.738 -0.033 0.000 0.898 5256 Q HN 0.863 nan 8.270 nan 0.000 0.426 5257 E N 0.767 120.933 120.200 -0.057 0.000 2.072 5257 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 5257 E C 1.988 178.567 176.600 -0.035 0.000 0.985 5257 E CA 0.633 57.005 56.400 -0.047 0.000 0.801 5257 E CB 0.001 29.663 29.700 -0.063 0.000 0.750 5257 E HN 0.295 nan 8.360 nan 0.000 0.452 5258 L N 0.601 121.797 121.223 -0.045 0.000 2.042 5258 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 5258 L C 2.565 179.434 176.870 -0.002 0.000 1.076 5258 L CA 0.922 55.750 54.840 -0.021 0.000 0.749 5258 L CB -0.327 41.718 42.059 -0.024 0.000 0.893 5258 L HN 0.265 nan 8.230 nan 0.000 0.432 5259 L N -0.797 120.423 121.223 -0.005 0.000 2.109 5259 L HA -0.135 4.204 4.340 -0.001 0.000 0.207 5259 L C 2.609 179.482 176.870 0.004 0.000 1.086 5259 L CA 0.782 55.625 54.840 0.004 0.000 0.760 5259 L CB -0.428 41.633 42.059 0.004 0.000 0.910 5259 L HN 0.164 nan 8.230 nan 0.000 0.437 5260 K N -0.149 120.249 120.400 -0.003 0.000 2.211 5260 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 5260 K C 2.071 178.671 176.600 0.001 0.000 1.050 5260 K CA 1.769 58.055 56.287 -0.002 0.000 0.945 5260 K CB -0.354 32.142 32.500 -0.006 0.000 0.732 5260 K HN 0.466 nan 8.250 nan 0.000 0.451 5261 T N -1.890 112.664 114.554 0.001 0.000 3.040 5261 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 5261 T C 1.831 176.536 174.700 0.009 0.000 1.064 5261 T CA -0.016 62.086 62.100 0.004 0.000 1.110 5261 T CB -0.006 68.864 68.868 0.002 0.000 0.921 5261 T HN -0.063 nan 8.240 nan 0.000 0.480 5262 I N 2.132 122.711 120.570 0.015 0.000 2.876 5262 I HA 0.443 4.612 4.170 -0.001 0.000 0.264 5262 I C 1.402 177.532 176.117 0.022 0.000 1.204 5262 I CA -0.626 60.689 61.300 0.025 0.000 1.485 5262 I CB -0.615 37.411 38.000 0.043 0.000 1.103 5262 I HN 0.347 nan 8.210 nan 0.000 0.446 5263 A N 0.038 122.868 122.820 0.016 0.000 2.531 5263 A HA 0.098 4.417 4.320 -0.001 0.000 0.236 5263 A C 0.088 177.679 177.584 0.011 0.000 1.062 5263 A CA 0.044 52.089 52.037 0.013 0.000 0.760 5263 A CB -0.468 18.537 19.000 0.009 0.000 0.995 5263 A HN 0.432 nan 8.150 nan 0.000 0.501 5264 C N 3.126 122.432 119.300 0.011 0.000 2.264 5264 C HA 0.435 4.894 4.460 -0.001 0.000 0.324 5264 C C 0.365 175.359 174.990 0.006 0.000 1.267 5264 C CA -0.579 58.444 59.018 0.008 0.000 1.618 5264 C CB -0.506 27.240 27.740 0.010 0.000 2.278 5264 C HN 0.932 nan 8.230 nan 0.000 0.499 5265 E N 1.336 121.539 120.200 0.004 0.000 2.414 5265 E HA 0.359 4.708 4.350 -0.001 0.000 0.263 5265 E C -0.138 176.464 176.600 0.003 0.000 1.000 5265 E CA 0.403 56.805 56.400 0.003 0.000 0.914 5265 E CB 0.522 30.223 29.700 0.002 0.000 0.948 5265 E HN 0.497 nan 8.360 nan 0.000 0.444 5266 V N 2.144 122.060 119.914 0.003 0.000 3.087 5266 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 5266 V C -0.187 175.908 176.094 0.002 0.000 1.187 5266 V CA -0.589 61.712 62.300 0.003 0.000 0.999 5266 V CB 2.255 34.080 31.823 0.003 0.000 1.049 5266 V HN 0.752 nan 8.190 nan 0.000 0.431 5267 G N 3.159 111.960 108.800 0.002 0.000 2.254 5267 G HA2 0.402 4.362 3.960 -0.001 0.000 0.253 5267 G HA3 0.402 4.362 3.960 -0.001 0.000 0.253 5267 G C 1.028 175.929 174.900 0.002 0.000 1.246 5267 G CA 0.383 45.484 45.100 0.002 0.000 0.946 5267 G HN 1.560 nan 8.290 nan 0.000 0.474 5268 A N 2.637 125.458 122.820 0.002 0.000 1.933 5268 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 5268 A C 2.053 179.638 177.584 0.003 0.000 1.175 5268 A CA 1.215 53.254 52.037 0.002 0.000 0.628 5268 A CB -0.023 18.978 19.000 0.002 0.000 0.814 5268 A HN 0.577 nan 8.150 nan 0.000 0.444 5269 Q N -0.209 119.592 119.800 0.003 0.000 2.198 5269 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 5269 Q C -0.744 175.257 176.000 0.003 0.000 0.848 5269 Q CA -0.123 55.682 55.803 0.003 0.000 0.974 5269 Q CB 0.063 28.803 28.738 0.003 0.000 1.115 5269 Q HN 0.745 nan 8.270 nan 0.000 0.494 5270 D N 1.074 121.476 120.400 0.002 0.000 2.412 5270 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 5270 D C 1.234 177.534 176.300 0.001 0.000 1.217 5270 D CA 0.159 54.160 54.000 0.001 0.000 0.897 5270 D CB 0.916 41.717 40.800 0.001 0.000 1.132 5270 D HN -0.220 nan 8.370 nan 0.000 0.493 5271 K N 2.996 123.396 120.400 0.001 0.000 2.077 5271 K HA -0.258 4.062 4.320 -0.001 0.000 0.213 5271 K C 1.448 178.048 176.600 -0.001 0.000 1.051 5271 K CA 1.688 57.975 56.287 0.000 0.000 0.929 5271 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 5271 K HN 0.492 nan 8.250 nan 0.000 0.451 5272 E N 0.050 120.249 120.200 -0.002 0.000 2.017 5272 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 5272 E C 2.113 178.711 176.600 -0.003 0.000 0.997 5272 E CA 1.400 57.798 56.400 -0.004 0.000 0.804 5272 E CB -0.469 29.229 29.700 -0.004 0.000 0.757 5272 E HN 0.343 nan 8.360 nan 0.000 0.448 5273 I N 1.215 121.784 120.570 -0.001 0.000 2.335 5273 I HA -0.233 3.937 4.170 -0.001 0.000 0.251 5273 I C 2.247 178.364 176.117 0.001 0.000 1.129 5273 I CA 0.940 62.240 61.300 -0.000 0.000 1.402 5273 I CB -0.164 37.837 38.000 0.001 0.000 1.069 5273 I HN 0.035 nan 8.210 nan 0.000 0.424 5274 L N -0.418 120.806 121.223 0.001 0.000 2.056 5274 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 5274 L C 2.496 179.366 176.870 0.001 0.000 1.078 5274 L CA 1.857 56.698 54.840 0.002 0.000 0.749 5274 L CB -1.173 40.887 42.059 0.002 0.000 0.901 5274 L HN 0.405 nan 8.230 nan 0.000 0.433 5275 T N -3.741 110.812 114.554 -0.001 0.000 2.985 5275 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 5275 T C 1.862 176.559 174.700 -0.005 0.000 1.076 5275 T CA 0.575 62.673 62.100 -0.003 0.000 1.135 5275 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 5275 T HN 0.005 nan 8.240 nan 0.000 0.480 5276 K N 0.797 121.193 120.400 -0.005 0.000 2.062 5276 K HA 0.248 4.568 4.320 -0.001 0.000 0.205 5276 K C 2.127 178.726 176.600 -0.001 0.000 1.051 5276 K CA 0.593 56.876 56.287 -0.007 0.000 0.941 5276 K CB -0.429 32.067 32.500 -0.006 0.000 0.719 5276 K HN 0.266 nan 8.250 nan 0.000 0.440 5277 I N 0.740 121.311 120.570 0.002 0.000 2.179 5277 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 5277 I C 2.162 178.284 176.117 0.007 0.000 1.088 5277 I CA 1.437 62.741 61.300 0.006 0.000 1.357 5277 I CB -1.336 36.667 38.000 0.006 0.000 1.051 5277 I HN 0.090 nan 8.210 nan 0.000 0.409 5278 A N 0.818 123.641 122.820 0.005 0.000 1.873 5278 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 5278 A C 2.410 179.998 177.584 0.007 0.000 1.193 5278 A CA 2.002 54.043 52.037 0.006 0.000 0.629 5278 A CB -0.638 18.364 19.000 0.004 0.000 0.826 5278 A HN 0.355 nan 8.150 nan 0.000 0.447 5279 M N -0.311 119.290 119.600 0.003 0.000 2.132 5279 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 5279 M C 2.427 178.734 176.300 0.012 0.000 1.065 5279 M CA 2.019 57.319 55.300 0.000 0.000 1.122 5279 M CB -0.746 31.844 32.600 -0.016 0.000 1.365 5279 M HN 0.725 nan 8.290 nan 0.000 0.411 5280 T N -2.716 111.847 114.554 0.015 0.000 2.867 5280 T HA -0.095 4.255 4.350 -0.001 0.000 0.268 5280 T C 1.888 176.613 174.700 0.042 0.000 1.057 5280 T CA 1.630 63.751 62.100 0.035 0.000 1.136 5280 T CB -0.456 68.430 68.868 0.031 0.000 0.874 5280 T HN 0.298 nan 8.240 nan 0.000 0.466 5281 S N 0.921 116.638 115.700 0.028 0.000 2.368 5281 S HA 0.050 4.520 4.470 -0.001 0.000 0.224 5281 S C 2.001 176.618 174.600 0.029 0.000 1.029 5281 S CA 0.721 58.937 58.200 0.025 0.000 0.988 5281 S CB -0.616 62.594 63.200 0.017 0.000 0.838 5281 S HN 0.589 nan 8.310 nan 0.000 0.462 5282 I N 1.762 122.349 120.570 0.029 0.000 2.361 5282 I HA -0.100 4.069 4.170 -0.001 0.000 0.251 5282 I C 1.275 177.420 176.117 0.047 0.000 1.133 5282 I CA 0.893 62.211 61.300 0.031 0.000 1.413 5282 I CB -0.904 37.110 38.000 0.024 0.000 1.073 5282 I HN 0.428 nan 8.210 nan 0.000 0.424 5283 T N -0.590 114.006 114.554 0.069 0.000 2.932 5283 T HA 0.321 4.671 4.350 -0.001 0.000 0.312 5283 T C 1.161 175.919 174.700 0.097 0.000 1.071 5283 T CA 0.100 62.273 62.100 0.121 0.000 1.128 5283 T CB 1.289 70.282 68.868 0.209 0.000 0.984 5283 T HN 0.603 nan 8.240 nan 0.000 0.549 5284 G N 1.507 110.365 108.800 0.097 0.000 2.176 5284 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 5284 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 5284 G C -0.068 174.848 174.900 0.028 0.000 0.979 5284 G CA 0.393 45.515 45.100 0.037 0.000 0.641 5284 G HN 0.943 nan 8.290 nan 0.000 0.530 5285 K N -0.939 119.485 120.400 0.040 0.000 2.350 5285 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 5285 K C 1.495 178.116 176.600 0.035 0.000 0.994 5285 K CA -0.520 55.785 56.287 0.030 0.000 0.839 5285 K CB 1.434 33.951 32.500 0.027 0.000 1.244 5285 K HN 0.160 nan 8.250 nan 0.000 0.443 5286 G N 0.377 109.194 108.800 0.028 0.000 2.422 5286 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 5286 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 5286 G C 1.290 176.209 174.900 0.030 0.000 1.140 5286 G CA 0.985 46.102 45.100 0.029 0.000 0.775 5286 G HN 0.616 nan 8.290 nan 0.000 0.545 5287 A N 1.689 124.526 122.820 0.028 0.000 2.125 5287 A HA -0.029 4.290 4.320 -0.001 0.000 0.219 5287 A C 2.131 179.730 177.584 0.025 0.000 1.156 5287 A CA 1.763 53.815 52.037 0.025 0.000 0.671 5287 A CB -0.438 18.576 19.000 0.023 0.000 0.794 5287 A HN 0.662 nan 8.150 nan 0.000 0.459 5288 E N 1.233 121.452 120.200 0.033 0.000 2.331 5288 E HA -0.293 4.057 4.350 -0.001 0.000 0.199 5288 E C 1.613 178.227 176.600 0.022 0.000 1.008 5288 E CA 1.365 57.785 56.400 0.033 0.000 0.843 5288 E CB -0.546 29.190 29.700 0.060 0.000 0.761 5288 E HN 0.820 nan 8.360 nan 0.000 0.507 5289 K N 0.860 121.274 120.400 0.024 0.000 2.211 5289 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 5289 K C 1.503 178.108 176.600 0.008 0.000 1.047 5289 K CA 1.491 57.788 56.287 0.016 0.000 0.935 5289 K CB -0.006 32.505 32.500 0.019 0.000 0.728 5289 K HN 0.160 nan 8.250 nan 0.000 0.452 5290 A N 1.769 124.595 122.820 0.009 0.000 2.616 5290 A HA 0.144 4.464 4.320 -0.001 0.000 0.294 5290 A C 1.305 178.891 177.584 0.003 0.000 1.091 5290 A CA -0.561 51.479 52.037 0.005 0.000 0.971 5290 A CB -0.055 18.950 19.000 0.008 0.000 1.222 5290 A HN 0.415 nan 8.150 nan 0.000 0.521 5291 K N 0.164 120.565 120.400 0.002 0.000 2.286 5291 K HA -0.211 4.109 4.320 -0.001 0.000 0.203 5291 K C 0.862 177.459 176.600 -0.005 0.000 1.045 5291 K CA 1.928 58.215 56.287 -0.000 0.000 0.935 5291 K CB -0.102 32.396 32.500 -0.004 0.000 0.737 5291 K HN 0.333 nan 8.250 nan 0.000 0.460 5292 E N 1.487 121.681 120.200 -0.009 0.000 2.046 5292 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 5292 E C 1.913 178.510 176.600 -0.004 0.000 0.982 5292 E CA 1.296 57.690 56.400 -0.010 0.000 0.800 5292 E CB -0.072 29.620 29.700 -0.013 0.000 0.756 5292 E HN 0.257 nan 8.360 nan 0.000 0.449 5293 K N 0.336 120.735 120.400 -0.001 0.000 2.097 5293 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 5293 K C 1.637 178.239 176.600 0.005 0.000 1.050 5293 K CA 0.811 57.099 56.287 0.002 0.000 0.938 5293 K CB -0.252 32.250 32.500 0.004 0.000 0.718 5293 K HN 0.005 nan 8.250 nan 0.000 0.442 5294 L N 0.411 121.637 121.223 0.005 0.000 2.093 5294 L HA 0.036 4.376 4.340 -0.001 0.000 0.208 5294 L C 2.276 179.150 176.870 0.006 0.000 1.085 5294 L CA 1.894 56.738 54.840 0.007 0.000 0.755 5294 L CB -1.150 40.914 42.059 0.009 0.000 0.904 5294 L HN 0.269 nan 8.230 nan 0.000 0.435 5295 A N -0.799 122.022 122.820 0.003 0.000 1.898 5295 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 5295 A C 2.314 179.900 177.584 0.002 0.000 1.181 5295 A CA 1.631 53.669 52.037 0.002 0.000 0.620 5295 A CB -0.497 18.502 19.000 -0.002 0.000 0.819 5295 A HN 0.380 nan 8.150 nan 0.000 0.442 5296 E N 0.330 120.531 120.200 0.002 0.000 2.058 5296 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 5296 E C 1.697 178.300 176.600 0.006 0.000 0.997 5296 E CA 1.595 57.996 56.400 0.003 0.000 0.801 5296 E CB -0.388 29.313 29.700 0.002 0.000 0.746 5296 E HN 0.639 nan 8.360 nan 0.000 0.450 5297 I N -0.329 120.245 120.570 0.007 0.000 2.179 5297 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 5297 I C 1.931 178.054 176.117 0.009 0.000 1.088 5297 I CA 0.758 62.064 61.300 0.010 0.000 1.357 5297 I CB -0.152 37.855 38.000 0.012 0.000 1.051 5297 I HN 0.161 nan 8.210 nan 0.000 0.409 5298 I N -0.362 120.213 120.570 0.008 0.000 2.406 5298 I HA -0.163 4.006 4.170 -0.001 0.000 0.249 5298 I C 2.296 178.417 176.117 0.006 0.000 1.122 5298 I CA 1.068 62.372 61.300 0.007 0.000 1.431 5298 I CB -0.288 37.716 38.000 0.006 0.000 1.087 5298 I HN -0.063 nan 8.210 nan 0.000 0.424 5299 V N 0.232 120.149 119.914 0.006 0.000 2.358 5299 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 5299 V C 2.512 178.610 176.094 0.006 0.000 1.047 5299 V CA 1.919 64.222 62.300 0.005 0.000 1.035 5299 V CB -0.548 31.277 31.823 0.004 0.000 0.658 5299 V HN 0.403 nan 8.190 nan 0.000 0.452 5300 E N 0.845 121.050 120.200 0.007 0.000 2.077 5300 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 5300 E C 2.134 178.740 176.600 0.010 0.000 0.989 5300 E CA 1.682 58.088 56.400 0.009 0.000 0.800 5300 E CB -0.493 29.212 29.700 0.010 0.000 0.746 5300 E HN 0.492 nan 8.360 nan 0.000 0.452 5301 A N 0.031 122.856 122.820 0.010 0.000 1.902 5301 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 5301 A C 2.506 180.094 177.584 0.008 0.000 1.181 5301 A CA 1.731 53.774 52.037 0.009 0.000 0.623 5301 A CB -0.786 18.219 19.000 0.008 0.000 0.818 5301 A HN 0.205 nan 8.150 nan 0.000 0.443 5302 V N -0.328 119.590 119.914 0.007 0.000 2.307 5302 V HA -0.194 3.925 4.120 -0.001 0.000 0.245 5302 V C 2.764 178.862 176.094 0.007 0.000 1.045 5302 V CA 2.243 64.546 62.300 0.006 0.000 1.024 5302 V CB -0.853 30.973 31.823 0.005 0.000 0.651 5302 V HN 0.546 nan 8.190 nan 0.000 0.449 5303 S N 0.189 115.894 115.700 0.008 0.000 2.387 5303 S HA -0.219 4.250 4.470 -0.001 0.000 0.230 5303 S C 2.169 176.775 174.600 0.011 0.000 1.035 5303 S CA 1.511 59.716 58.200 0.009 0.000 1.014 5303 S CB -0.472 62.733 63.200 0.009 0.000 0.836 5303 S HN 0.659 nan 8.310 nan 0.000 0.466 5304 A N 1.112 123.940 122.820 0.013 0.000 1.855 5304 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 5304 A C 2.402 179.995 177.584 0.016 0.000 1.191 5304 A CA 1.759 53.806 52.037 0.018 0.000 0.613 5304 A CB -0.821 18.191 19.000 0.019 0.000 0.829 5304 A HN 0.579 nan 8.150 nan 0.000 0.442 5305 V N -3.209 116.711 119.914 0.011 0.000 3.052 5305 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 5305 V C 2.033 178.131 176.094 0.006 0.000 1.100 5305 V CA 1.364 63.669 62.300 0.009 0.000 1.112 5305 V CB -0.365 31.461 31.823 0.005 0.000 0.738 5305 V HN 0.194 nan 8.190 nan 0.000 0.469 5306 V N 0.552 120.470 119.914 0.006 0.000 2.809 5306 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 5306 V C 1.571 177.667 176.094 0.003 0.000 1.080 5306 V CA 2.291 64.593 62.300 0.004 0.000 1.102 5306 V CB -0.537 31.288 31.823 0.004 0.000 0.705 5306 V HN 0.842 nan 8.190 nan 0.000 0.475 5307 D N -0.652 119.751 120.400 0.004 0.000 4.438 5307 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 5307 D C 0.632 176.932 176.300 0.001 0.000 0.686 5307 D CA 1.927 55.928 54.000 0.002 0.000 1.183 5307 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 5307 D HN 0.557 nan 8.370 nan 0.000 0.521 5308 D N 1.019 121.419 120.400 -0.001 0.000 2.393 5308 D HA 0.290 4.929 4.640 -0.001 0.000 0.246 5308 D C -0.158 176.142 176.300 0.000 0.000 1.275 5308 D CA 0.227 54.227 54.000 -0.001 0.000 0.979 5308 D CB 0.403 41.201 40.800 -0.003 0.000 1.101 5308 D HN 0.154 nan 8.370 nan 0.000 0.505 5309 E N -0.605 119.595 120.200 0.000 0.000 2.731 5309 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 5309 E C -0.182 176.418 176.600 0.000 0.000 1.087 5309 E CA -0.503 55.897 56.400 0.001 0.000 1.020 5309 E CB 0.857 30.558 29.700 0.001 0.000 1.339 5309 E HN 0.502 nan 8.360 nan 0.000 0.444 5310 G N 0.591 109.391 108.800 0.000 0.000 2.328 5310 G HA2 0.353 4.313 3.960 -0.001 0.000 0.299 5310 G HA3 0.353 4.313 3.960 -0.001 0.000 0.299 5310 G C -1.738 173.162 174.900 0.000 0.000 1.435 5310 G CA -0.926 44.175 45.100 0.000 0.000 0.865 5310 G HN 0.025 nan 8.290 nan 0.000 0.601 5311 K N 0.302 120.702 120.400 0.000 0.000 2.581 5311 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 5311 K C -1.662 174.938 176.600 0.000 0.000 0.966 5311 K CA -0.581 55.706 56.287 0.000 0.000 0.811 5311 K CB 2.058 34.558 32.500 -0.001 0.000 1.223 5311 K HN 0.879 nan 8.250 nan 0.000 0.438 5312 V N 3.032 122.947 119.914 0.001 0.000 2.547 5312 V HA 0.429 4.548 4.120 -0.001 0.000 0.299 5312 V C -1.121 174.973 176.094 -0.000 0.000 1.040 5312 V CA -0.515 61.785 62.300 0.001 0.000 0.913 5312 V CB 1.693 33.517 31.823 0.001 0.000 0.992 5312 V HN 0.779 nan 8.190 nan 0.000 0.449 5313 D N 4.539 124.939 120.400 -0.001 0.000 2.441 5313 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 5313 D C 0.786 177.084 176.300 -0.003 0.000 1.073 5313 D CA -0.306 53.693 54.000 -0.002 0.000 0.850 5313 D CB 1.678 42.477 40.800 -0.003 0.000 1.062 5313 D HN 0.553 nan 8.370 nan 0.000 0.524 5314 K N 2.042 122.441 120.400 -0.003 0.000 2.280 5314 K HA -0.151 4.168 4.320 -0.001 0.000 0.202 5314 K C 0.881 177.477 176.600 -0.007 0.000 1.047 5314 K CA 0.820 57.105 56.287 -0.004 0.000 0.942 5314 K CB 0.249 32.748 32.500 -0.003 0.000 0.739 5314 K HN 0.354 nan 8.250 nan 0.000 0.457 5315 D N 0.764 121.159 120.400 -0.008 0.000 2.310 5315 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 5315 D C 1.343 177.634 176.300 -0.015 0.000 0.965 5315 D CA 0.627 54.620 54.000 -0.012 0.000 0.879 5315 D CB 0.158 40.950 40.800 -0.012 0.000 0.921 5315 D HN 0.104 nan 8.370 nan 0.000 0.510 5316 L N -0.187 121.029 121.223 -0.011 0.000 2.492 5316 L HA 0.157 4.497 4.340 -0.001 0.000 0.223 5316 L C 0.355 177.218 176.870 -0.011 0.000 1.132 5316 L CA 0.248 55.081 54.840 -0.011 0.000 0.850 5316 L CB 0.133 42.189 42.059 -0.005 0.000 0.966 5316 L HN 0.019 nan 8.230 nan 0.000 0.454 5317 I N 0.567 121.131 120.570 -0.010 0.000 2.390 5317 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 5317 I C -0.089 176.020 176.117 -0.015 0.000 1.016 5317 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 5317 I CB 1.406 39.404 38.000 -0.004 0.000 1.293 5317 I HN -0.148 nan 8.210 nan 0.000 0.458 5318 K N 7.269 127.656 120.400 -0.021 0.000 2.172 5318 K HA 0.451 4.771 4.320 -0.001 0.000 0.276 5318 K C -0.785 175.802 176.600 -0.023 0.000 1.013 5318 K CA -0.238 56.032 56.287 -0.028 0.000 0.913 5318 K CB 0.773 33.246 32.500 -0.045 0.000 1.055 5318 K HN 0.396 nan 8.250 nan 0.000 0.461 5319 I N 3.934 124.491 120.570 -0.021 0.000 2.347 5319 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 5319 I C -0.160 175.944 176.117 -0.022 0.000 1.058 5319 I CA -0.679 60.612 61.300 -0.015 0.000 1.202 5319 I CB 0.344 38.339 38.000 -0.009 0.000 1.386 5319 I HN 0.684 nan 8.210 nan 0.000 0.475 5320 E N 6.975 127.159 120.200 -0.026 0.000 2.214 5320 E HA 0.612 4.962 4.350 -0.001 0.000 0.274 5320 E C -0.785 175.804 176.600 -0.018 0.000 0.977 5320 E CA -0.596 55.784 56.400 -0.034 0.000 0.827 5320 E CB 1.407 31.071 29.700 -0.059 0.000 1.130 5320 E HN 0.563 nan 8.360 nan 0.000 0.394 5321 K N 1.624 122.013 120.400 -0.019 0.000 2.498 5321 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 5321 K C -1.332 175.261 176.600 -0.012 0.000 0.933 5321 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 5321 K CB 1.818 34.312 32.500 -0.011 0.000 1.301 5321 K HN 0.197 nan 8.250 nan 0.000 0.432 5322 K N 1.349 121.748 120.400 -0.001 0.000 2.581 5322 K HA 0.216 4.536 4.320 -0.001 0.000 0.249 5322 K C -1.282 175.320 176.600 0.003 0.000 0.966 5322 K CA -0.338 55.949 56.287 0.001 0.000 0.811 5322 K CB 2.179 34.688 32.500 0.015 0.000 1.223 5322 K HN 0.711 nan 8.250 nan 0.000 0.438 5323 S N 2.579 118.275 115.700 -0.007 0.000 2.568 5323 S HA 0.601 5.070 4.470 -0.001 0.000 0.282 5323 S C 0.136 174.739 174.600 0.004 0.000 1.338 5323 S CA 1.339 59.535 58.200 -0.006 0.000 1.045 5323 S CB -0.222 62.967 63.200 -0.018 0.000 0.873 5323 S HN 1.208 nan 8.310 nan 0.000 0.516 5324 G N 1.787 110.591 108.800 0.007 0.000 2.428 5324 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 5324 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 5324 G C -0.098 174.810 174.900 0.014 0.000 1.340 5324 G CA -0.039 45.067 45.100 0.011 0.000 0.915 5324 G HN 2.159 nan 8.290 nan 0.000 0.645 5325 A N -0.814 122.013 122.820 0.013 0.000 6.088 5325 A HA 0.395 4.715 4.320 -0.001 0.000 0.261 5325 A C 1.091 178.682 177.584 0.012 0.000 2.138 5325 A CA 1.912 53.956 52.037 0.012 0.000 0.708 5325 A CB -1.632 17.377 19.000 0.015 0.000 1.068 5325 A HN 2.717 nan 8.150 nan 0.000 0.364 5326 S N -2.556 113.152 115.700 0.012 0.000 2.745 5326 S HA 0.692 5.162 4.470 -0.001 0.000 0.306 5326 S C 1.124 175.732 174.600 0.014 0.000 1.137 5326 S CA 0.144 58.351 58.200 0.012 0.000 0.900 5326 S CB 1.369 64.575 63.200 0.010 0.000 1.176 5326 S HN 1.652 nan 8.310 nan 0.000 0.520 5327 I N 1.117 121.695 120.570 0.014 0.000 2.493 5327 I HA -0.086 4.084 4.170 -0.001 0.000 0.254 5327 I C 1.577 177.701 176.117 0.013 0.000 1.160 5327 I CA 1.599 62.908 61.300 0.014 0.000 1.445 5327 I CB -0.101 37.908 38.000 0.015 0.000 1.086 5327 I HN 0.795 nan 8.210 nan 0.000 0.433 5328 D N 0.757 121.164 120.400 0.011 0.000 2.264 5328 D HA -0.203 4.436 4.640 -0.001 0.000 0.208 5328 D C 1.595 177.900 176.300 0.009 0.000 0.966 5328 D CA 1.120 55.125 54.000 0.008 0.000 0.864 5328 D CB 0.022 40.826 40.800 0.006 0.000 0.933 5328 D HN 0.358 nan 8.370 nan 0.000 0.499 5329 D N -0.461 119.946 120.400 0.011 0.000 2.347 5329 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 5329 D C 0.235 176.547 176.300 0.020 0.000 0.985 5329 D CA 0.385 54.393 54.000 0.013 0.000 0.879 5329 D CB -0.128 40.681 40.800 0.014 0.000 0.919 5329 D HN 0.149 nan 8.370 nan 0.000 0.526 5330 T N 1.563 116.130 114.554 0.021 0.000 2.933 5330 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 5330 T C 0.291 175.007 174.700 0.027 0.000 1.045 5330 T CA 0.675 62.791 62.100 0.026 0.000 1.143 5330 T CB 1.039 69.919 68.868 0.021 0.000 1.003 5330 T HN 0.013 nan 8.240 nan 0.000 0.540 5331 E N 1.480 121.703 120.200 0.038 0.000 2.390 5331 E HA 0.531 4.880 4.350 -0.001 0.000 0.280 5331 E C -1.883 174.747 176.600 0.051 0.000 0.992 5331 E CA -0.813 55.610 56.400 0.038 0.000 0.790 5331 E CB 1.075 30.796 29.700 0.035 0.000 1.248 5331 E HN 0.356 nan 8.360 nan 0.000 0.447 5332 L N 3.336 124.584 121.223 0.042 0.000 2.312 5332 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 5332 L C -1.080 175.827 176.870 0.061 0.000 1.070 5332 L CA -0.183 54.683 54.840 0.043 0.000 0.805 5332 L CB 0.793 42.869 42.059 0.028 0.000 1.174 5332 L HN 0.570 nan 8.230 nan 0.000 0.434 5333 I N 5.454 126.069 120.570 0.076 0.000 2.382 5333 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 5333 I C -0.058 176.098 176.117 0.064 0.000 1.007 5333 I CA -0.461 60.900 61.300 0.102 0.000 1.142 5333 I CB 1.153 39.269 38.000 0.192 0.000 1.289 5333 I HN 0.326 nan 8.210 nan 0.000 0.453 5334 K N 5.778 126.209 120.400 0.051 0.000 2.081 5334 K HA 0.485 4.804 4.320 -0.001 0.000 0.230 5334 K C 0.456 177.077 176.600 0.035 0.000 1.199 5334 K CA -0.004 56.303 56.287 0.034 0.000 1.130 5334 K CB -0.284 32.230 32.500 0.024 0.000 1.386 5334 K HN 0.979 nan 8.250 nan 0.000 0.280 5335 G N -0.658 108.159 108.800 0.029 0.000 2.398 5335 G HA2 0.022 3.982 3.960 -0.001 0.000 0.251 5335 G HA3 0.022 3.982 3.960 -0.001 0.000 0.251 5335 G C -1.606 173.289 174.900 -0.008 0.000 1.277 5335 G CA -0.805 44.304 45.100 0.016 0.000 0.927 5335 G HN 0.086 nan 8.290 nan 0.000 0.477 5336 V N 0.755 120.648 119.914 -0.034 0.000 2.495 5336 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 5336 V C -0.647 175.361 176.094 -0.142 0.000 1.031 5336 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 5336 V CB 1.407 33.149 31.823 -0.136 0.000 0.988 5336 V HN 0.911 nan 8.190 nan 0.000 0.432 5337 L N 7.465 128.566 121.223 -0.204 0.000 2.305 5337 L HA 0.836 5.176 4.340 -0.001 0.000 0.284 5337 L C -0.383 176.316 176.870 -0.286 0.000 1.013 5337 L CA -0.153 54.463 54.840 -0.373 0.000 0.819 5337 L CB 1.693 43.436 42.059 -0.527 0.000 1.227 5337 L HN 0.576 nan 8.230 nan 0.000 0.417 5338 V N 1.573 121.325 119.914 -0.270 0.000 2.769 5338 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 5338 V C -0.490 175.523 176.094 -0.136 0.000 1.061 5338 V CA -0.522 61.674 62.300 -0.174 0.000 0.931 5338 V CB 1.834 33.571 31.823 -0.143 0.000 1.010 5338 V HN 0.823 nan 8.190 nan 0.000 0.433 5339 D N 1.128 121.475 120.400 -0.088 0.000 3.134 5339 D HA 0.340 4.979 4.640 -0.001 0.000 0.248 5339 D C -0.103 176.192 176.300 -0.009 0.000 1.273 5339 D CA -0.264 53.704 54.000 -0.054 0.000 0.904 5339 D CB 0.340 41.112 40.800 -0.047 0.000 1.089 5339 D HN 0.521 nan 8.370 nan 0.000 0.478 5340 K N 0.278 120.687 120.400 0.016 0.000 2.313 5340 K HA 0.534 4.854 4.320 -0.001 0.000 0.235 5340 K C 0.185 176.819 176.600 0.057 0.000 1.035 5340 K CA -0.853 55.465 56.287 0.052 0.000 0.868 5340 K CB 1.728 34.291 32.500 0.106 0.000 1.232 5340 K HN 0.310 nan 8.250 nan 0.000 0.459 5341 E N -0.103 120.127 120.200 0.050 0.000 2.378 5341 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 5341 E C -0.748 175.866 176.600 0.023 0.000 0.932 5341 E CA -1.141 55.282 56.400 0.039 0.000 0.795 5341 E CB 1.118 30.835 29.700 0.028 0.000 1.296 5341 E HN 0.100 nan 8.360 nan 0.000 0.438 5342 R N 1.405 121.912 120.500 0.011 0.000 2.296 5342 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 5342 R C 1.247 177.541 176.300 -0.011 0.000 1.067 5342 R CA 0.159 56.250 56.100 -0.014 0.000 0.946 5342 R CB 0.959 31.250 30.300 -0.016 0.000 0.991 5342 R HN 0.649 nan 8.270 nan 0.000 0.448 5343 V N 0.008 119.911 119.914 -0.020 0.000 2.688 5343 V HA -0.101 4.019 4.120 -0.001 0.000 0.256 5343 V C 0.905 176.995 176.094 -0.006 0.000 1.084 5343 V CA 1.207 63.502 62.300 -0.010 0.000 1.103 5343 V CB -0.252 31.564 31.823 -0.013 0.000 0.688 5343 V HN 0.526 nan 8.190 nan 0.000 0.480 5344 S N -0.903 114.792 115.700 -0.009 0.000 2.521 5344 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 5344 S C 0.828 175.427 174.600 -0.001 0.000 1.098 5344 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 5344 S CB 1.821 65.023 63.200 0.004 0.000 1.034 5344 S HN 0.734 nan 8.310 nan 0.000 0.483 5345 A N 3.476 126.300 122.820 0.005 0.000 2.121 5345 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 5345 A C 1.782 179.369 177.584 0.006 0.000 1.154 5345 A CA 1.114 53.155 52.037 0.006 0.000 0.679 5345 A CB -0.438 18.567 19.000 0.007 0.000 0.795 5345 A HN 0.904 nan 8.150 nan 0.000 0.458 5346 Q N -0.905 118.899 119.800 0.008 0.000 2.389 5346 Q HA 0.144 4.483 4.340 -0.001 0.000 0.204 5346 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 5346 Q CA 0.073 55.878 55.803 0.003 0.000 0.908 5346 Q CB -0.059 28.687 28.738 0.014 0.000 1.002 5346 Q HN 0.665 nan 8.270 nan 0.000 0.493 5347 M N 1.674 121.264 119.600 -0.017 0.000 2.242 5347 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 5347 M C -2.111 174.178 176.300 -0.018 0.000 1.140 5347 M CA -1.921 53.363 55.300 -0.026 0.000 1.160 5347 M CB 0.172 32.752 32.600 -0.034 0.000 1.491 5347 M HN -0.179 nan 8.290 nan 0.000 0.459 5348 P HA 0.006 nan 4.420 nan 0.000 0.266 5348 P C -0.456 176.840 177.300 -0.007 0.000 1.193 5348 P CA 0.277 63.370 63.100 -0.012 0.000 0.770 5348 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 5349 K N 1.273 121.673 120.400 0.001 0.000 2.393 5349 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 5349 K C 0.384 176.995 176.600 0.019 0.000 1.026 5349 K CA 0.475 56.768 56.287 0.011 0.000 1.064 5349 K CB 0.124 32.631 32.500 0.012 0.000 0.833 5349 K HN 0.496 nan 8.250 nan 0.000 0.521 5350 K N -0.383 120.024 120.400 0.012 0.000 2.571 5350 K HA 0.336 4.656 4.320 -0.001 0.000 0.252 5350 K C -1.330 175.277 176.600 0.011 0.000 0.956 5350 K CA -0.787 55.510 56.287 0.017 0.000 0.822 5350 K CB 2.022 34.529 32.500 0.012 0.000 1.286 5350 K HN -0.275 nan 8.250 nan 0.000 0.439 5351 V N 2.099 122.023 119.914 0.017 0.000 2.577 5351 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 5351 V C -0.205 175.901 176.094 0.020 0.000 1.042 5351 V CA -0.538 61.769 62.300 0.012 0.000 0.872 5351 V CB 1.848 33.675 31.823 0.006 0.000 0.998 5351 V HN 1.006 nan 8.190 nan 0.000 0.423 5352 T N -0.165 114.397 114.554 0.013 0.000 2.945 5352 T HA 0.566 4.915 4.350 -0.001 0.000 0.286 5352 T C 0.105 174.812 174.700 0.011 0.000 1.025 5352 T CA -0.257 61.851 62.100 0.013 0.000 1.039 5352 T CB 1.368 70.240 68.868 0.006 0.000 1.068 5352 T HN 0.774 nan 8.240 nan 0.000 0.497 5353 D N 0.058 120.465 120.400 0.011 0.000 2.689 5353 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 5353 D C 0.269 176.578 176.300 0.016 0.000 1.148 5353 D CA 0.845 54.851 54.000 0.010 0.000 0.656 5353 D CB -1.257 39.547 40.800 0.006 0.000 1.050 5353 D HN 1.086 nan 8.370 nan 0.000 0.426 5354 A N 1.309 124.144 122.820 0.024 0.000 2.425 5354 A HA 0.410 4.730 4.320 -0.001 0.000 0.249 5354 A C 0.532 178.137 177.584 0.035 0.000 1.084 5354 A CA 0.058 52.114 52.037 0.031 0.000 0.781 5354 A CB 0.636 19.665 19.000 0.050 0.000 1.019 5354 A HN 0.150 nan 8.150 nan 0.000 0.490 5355 K N 2.719 123.137 120.400 0.030 0.000 2.354 5355 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 5355 K C -1.224 175.402 176.600 0.043 0.000 1.062 5355 K CA -0.195 56.111 56.287 0.032 0.000 0.971 5355 K CB 0.833 33.345 32.500 0.020 0.000 1.305 5355 K HN 0.541 nan 8.250 nan 0.000 0.449 5356 I N 2.198 122.810 120.570 0.070 0.000 2.352 5356 I HA 0.184 4.354 4.170 -0.001 0.000 0.290 5356 I C 0.406 176.582 176.117 0.099 0.000 1.036 5356 I CA -0.131 61.238 61.300 0.115 0.000 1.336 5356 I CB 1.316 39.421 38.000 0.175 0.000 1.407 5356 I HN 0.454 nan 8.210 nan 0.000 0.497 5357 A N 7.634 130.511 122.820 0.095 0.000 2.330 5357 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 5357 A C -0.765 176.894 177.584 0.124 0.000 1.155 5357 A CA -0.583 51.502 52.037 0.080 0.000 0.803 5357 A CB 0.695 19.720 19.000 0.042 0.000 1.208 5357 A HN 0.652 nan 8.150 nan 0.000 0.477 5358 L N 3.336 124.622 121.223 0.106 0.000 2.298 5358 L HA 0.488 4.828 4.340 -0.001 0.000 0.284 5358 L C -0.823 176.092 176.870 0.074 0.000 1.013 5358 L CA -0.189 54.719 54.840 0.114 0.000 0.824 5358 L CB 1.171 43.281 42.059 0.085 0.000 1.221 5358 L HN 0.576 nan 8.230 nan 0.000 0.418 5359 L N 3.098 124.368 121.223 0.078 0.000 2.334 5359 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 5359 L C 0.732 177.634 176.870 0.052 0.000 1.014 5359 L CA -0.379 54.493 54.840 0.053 0.000 0.815 5359 L CB 2.119 44.205 42.059 0.045 0.000 1.268 5359 L HN 0.587 nan 8.230 nan 0.000 0.428 5360 N N 0.479 119.202 118.700 0.037 0.000 2.348 5360 N HA 0.017 4.757 4.740 -0.001 0.000 0.183 5360 N C 0.351 175.878 175.510 0.028 0.000 1.094 5360 N CA -0.049 53.020 53.050 0.032 0.000 0.885 5360 N CB 0.570 39.072 38.487 0.023 0.000 1.065 5360 N HN 0.753 nan 8.380 nan 0.000 0.472 5361 C N 0.800 120.116 119.300 0.026 0.000 2.470 5361 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 5361 C C 1.037 176.043 174.990 0.026 0.000 1.341 5361 C CA -1.258 57.774 59.018 0.023 0.000 2.440 5361 C CB -0.004 27.749 27.740 0.021 0.000 2.295 5361 C HN 0.324 nan 8.230 nan 0.000 0.645 5362 A N 0.764 123.599 122.820 0.024 0.000 2.340 5362 A HA 0.631 4.951 4.320 -0.001 0.000 0.268 5362 A C -0.009 177.591 177.584 0.028 0.000 1.100 5362 A CA -0.641 51.412 52.037 0.026 0.000 0.803 5362 A CB -0.083 18.931 19.000 0.023 0.000 1.043 5362 A HN 0.859 nan 8.150 nan 0.000 0.488 5363 I N 2.245 122.834 120.570 0.030 0.000 2.243 5363 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 5363 I C 0.116 176.258 176.117 0.043 0.000 1.140 5363 I CA 0.471 61.793 61.300 0.036 0.000 1.289 5363 I CB -0.553 37.469 38.000 0.038 0.000 1.498 5363 I HN 0.716 nan 8.210 nan 0.000 0.561 5364 E N 3.534 123.757 120.200 0.039 0.000 2.450 5364 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 5364 E C -0.794 175.831 176.600 0.040 0.000 0.967 5364 E CA -1.120 55.304 56.400 0.040 0.000 0.818 5364 E CB 2.332 32.051 29.700 0.031 0.000 1.401 5364 E HN 0.123 nan 8.360 nan 0.000 0.450 5365 I N 2.310 122.905 120.570 0.041 0.000 2.406 5365 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 5365 I C 0.507 176.642 176.117 0.031 0.000 1.101 5365 I CA 0.175 61.500 61.300 0.041 0.000 1.334 5365 I CB -0.520 37.508 38.000 0.046 0.000 1.421 5365 I HN 0.397 nan 8.210 nan 0.000 0.513 5366 K N 4.902 125.320 120.400 0.029 0.000 2.319 5366 K HA 0.084 4.404 4.320 -0.001 0.000 0.265 5366 K C -0.065 176.548 176.600 0.022 0.000 1.000 5366 K CA -0.200 56.101 56.287 0.023 0.000 0.943 5366 K CB 0.846 33.359 32.500 0.021 0.000 0.950 5366 K HN 0.460 nan 8.250 nan 0.000 0.485 5367 E N 1.419 121.628 120.200 0.016 0.000 2.207 5367 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 5367 E C -1.055 175.552 176.600 0.013 0.000 0.927 5367 E CA -0.590 55.817 56.400 0.013 0.000 0.799 5367 E CB 1.358 31.063 29.700 0.007 0.000 1.172 5367 E HN 0.637 nan 8.360 nan 0.000 0.404 5368 T N 1.101 115.663 114.554 0.013 0.000 2.813 5368 T HA 0.177 4.527 4.350 -0.001 0.000 0.297 5368 T C 0.746 175.451 174.700 0.008 0.000 1.036 5368 T CA -0.377 61.730 62.100 0.012 0.000 1.044 5368 T CB 0.760 69.636 68.868 0.013 0.000 0.993 5368 T HN 0.417 nan 8.240 nan 0.000 0.535 5369 E N 0.333 120.538 120.200 0.008 0.000 2.047 5369 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 5369 E C 1.238 177.841 176.600 0.005 0.000 0.987 5369 E CA 1.031 57.435 56.400 0.006 0.000 0.799 5369 E CB -0.586 29.118 29.700 0.006 0.000 0.752 5369 E HN 0.780 nan 8.360 nan 0.000 0.449 5370 T N 1.316 115.874 114.554 0.006 0.000 2.930 5370 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 5370 T C -0.425 174.277 174.700 0.004 0.000 1.045 5370 T CA -0.690 61.413 62.100 0.005 0.000 1.134 5370 T CB 0.207 69.079 68.868 0.006 0.000 0.961 5370 T HN -0.120 nan 8.240 nan 0.000 0.545 5371 D N 2.830 123.231 120.400 0.001 0.000 2.425 5371 D HA 0.493 5.133 4.640 -0.001 0.000 0.247 5371 D C -0.243 176.056 176.300 -0.002 0.000 1.147 5371 D CA 0.459 54.458 54.000 -0.001 0.000 0.879 5371 D CB 0.868 41.666 40.800 -0.003 0.000 1.179 5371 D HN 0.758 nan 8.370 nan 0.000 0.456 5372 A N 2.640 125.457 122.820 -0.006 0.000 2.547 5372 A HA 0.584 4.904 4.320 -0.001 0.000 0.297 5372 A C -0.848 176.723 177.584 -0.022 0.000 1.056 5372 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 5372 A CB 1.605 20.606 19.000 0.002 0.000 1.282 5372 A HN 0.463 nan 8.150 nan 0.000 0.400 5373 E N 0.924 121.105 120.200 -0.032 0.000 2.314 5373 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 5373 E C -1.429 175.118 176.600 -0.089 0.000 0.884 5373 E CA -0.850 55.513 56.400 -0.061 0.000 0.753 5373 E CB 2.312 31.981 29.700 -0.051 0.000 1.213 5373 E HN 0.497 nan 8.360 nan 0.000 0.432 5374 I N 2.196 122.665 120.570 -0.169 0.000 2.428 5374 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 5374 I C 0.040 176.036 176.117 -0.202 0.000 1.019 5374 I CA -0.185 60.944 61.300 -0.285 0.000 1.351 5374 I CB 0.421 38.011 38.000 -0.682 0.000 1.412 5374 I HN 0.187 nan 8.210 nan 0.000 0.513 5375 R N 6.729 127.151 120.500 -0.130 0.000 2.310 5375 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 5375 R C -0.993 175.295 176.300 -0.021 0.000 1.004 5375 R CA -0.765 55.298 56.100 -0.061 0.000 0.900 5375 R CB 0.857 31.145 30.300 -0.020 0.000 1.152 5375 R HN 0.409 nan 8.270 nan 0.000 0.513 5376 I N 3.047 123.596 120.570 -0.036 0.000 2.416 5376 I HA 0.059 4.228 4.170 -0.001 0.000 0.288 5376 I C 1.642 177.780 176.117 0.035 0.000 1.051 5376 I CA 0.320 61.636 61.300 0.026 0.000 1.375 5376 I CB 1.103 39.108 38.000 0.008 0.000 1.407 5376 I HN 0.520 nan 8.210 nan 0.000 0.516 5377 T N 0.021 114.611 114.554 0.059 0.000 3.040 5377 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 5377 T C 0.261 174.985 174.700 0.040 0.000 1.005 5377 T CA -0.227 61.898 62.100 0.042 0.000 0.906 5377 T CB 0.564 69.457 68.868 0.042 0.000 1.082 5377 T HN 0.576 nan 8.240 nan 0.000 0.531 5378 D N 0.845 121.275 120.400 0.051 0.000 2.886 5378 D HA 0.258 4.897 4.640 -0.001 0.000 0.216 5378 D C -2.301 174.029 176.300 0.050 0.000 1.256 5378 D CA -1.691 52.335 54.000 0.043 0.000 0.844 5378 D CB 2.912 43.736 40.800 0.039 0.000 1.669 5378 D HN -0.241 nan 8.370 nan 0.000 0.513 5379 P HA -0.097 nan 4.420 nan 0.000 0.219 5379 P C 1.042 178.367 177.300 0.041 0.000 1.146 5379 P CA 0.833 63.955 63.100 0.036 0.000 0.808 5379 P CB 0.300 32.015 31.700 0.024 0.000 0.779 5380 A N 0.529 123.370 122.820 0.035 0.000 1.930 5380 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 5380 A C 2.394 180.002 177.584 0.040 0.000 1.175 5380 A CA 1.712 53.767 52.037 0.030 0.000 0.627 5380 A CB -1.072 17.939 19.000 0.017 0.000 0.815 5380 A HN 0.159 nan 8.150 nan 0.000 0.443 5381 K N -0.683 119.754 120.400 0.062 0.000 2.103 5381 K HA -0.074 4.246 4.320 -0.001 0.000 0.204 5381 K C 1.843 178.580 176.600 0.229 0.000 1.052 5381 K CA 1.125 57.476 56.287 0.107 0.000 0.945 5381 K CB -0.258 32.322 32.500 0.135 0.000 0.722 5381 K HN 0.305 nan 8.250 nan 0.000 0.443 5382 L N 1.092 122.422 121.223 0.178 0.000 2.043 5382 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 5382 L C 2.030 179.003 176.870 0.173 0.000 1.075 5382 L CA 1.762 56.707 54.840 0.175 0.000 0.752 5382 L CB -0.305 41.805 42.059 0.085 0.000 0.891 5382 L HN 0.282 nan 8.230 nan 0.000 0.432 5383 M N -1.156 118.509 119.600 0.109 0.000 2.254 5383 M HA -0.119 4.360 4.480 -0.001 0.000 0.265 5383 M C 2.129 178.463 176.300 0.056 0.000 1.066 5383 M CA 1.203 56.547 55.300 0.074 0.000 1.123 5383 M CB -1.037 31.589 32.600 0.043 0.000 1.388 5383 M HN 0.352 nan 8.290 nan 0.000 0.425 5384 E N -0.147 120.069 120.200 0.027 0.000 2.097 5384 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 5384 E C 1.866 178.380 176.600 -0.143 0.000 1.000 5384 E CA 1.399 57.745 56.400 -0.090 0.000 0.804 5384 E CB -0.204 29.387 29.700 -0.182 0.000 0.740 5384 E HN 0.400 nan 8.360 nan 0.000 0.454 5385 F N 0.423 120.379 119.950 0.010 0.000 2.163 5385 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 5385 F C 2.218 178.028 175.800 0.017 0.000 1.094 5385 F CA 0.647 58.654 58.000 0.012 0.000 1.290 5385 F CB -0.179 38.828 39.000 0.010 0.000 1.017 5385 F HN -0.047 nan 8.300 nan 0.000 0.483 5386 I N 0.190 120.883 120.570 0.205 0.000 2.194 5386 I HA -0.321 3.849 4.170 -0.001 0.000 0.246 5386 I C 2.056 178.229 176.117 0.094 0.000 1.093 5386 I CA 1.672 63.046 61.300 0.124 0.000 1.355 5386 I CB -0.458 37.595 38.000 0.089 0.000 1.046 5386 I HN 0.221 nan 8.210 nan 0.000 0.413 5387 E N -0.160 120.081 120.200 0.068 0.000 2.274 5387 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 5387 E C 2.025 178.648 176.600 0.038 0.000 0.996 5387 E CA 0.545 56.974 56.400 0.049 0.000 0.840 5387 E CB 0.020 29.733 29.700 0.022 0.000 0.772 5387 E HN 0.370 nan 8.360 nan 0.000 0.491 5388 Q N 1.151 120.969 119.800 0.030 0.000 2.137 5388 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 5388 Q C 1.432 177.465 176.000 0.054 0.000 0.960 5388 Q CA 1.330 57.143 55.803 0.017 0.000 0.847 5388 Q CB 0.203 28.932 28.738 -0.015 0.000 0.915 5388 Q HN 0.084 nan 8.270 nan 0.000 0.448 5389 E N 0.174 120.428 120.200 0.091 0.000 2.150 5389 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 5389 E C 1.670 178.339 176.600 0.114 0.000 0.985 5389 E CA 1.145 57.603 56.400 0.097 0.000 0.814 5389 E CB 0.066 29.828 29.700 0.103 0.000 0.752 5389 E HN 0.473 nan 8.360 nan 0.000 0.466 5390 E N 0.425 120.702 120.200 0.128 0.000 2.051 5390 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 5390 E C 1.963 178.622 176.600 0.098 0.000 0.991 5390 E CA 1.045 57.571 56.400 0.210 0.000 0.799 5390 E CB -0.058 29.761 29.700 0.198 0.000 0.748 5390 E HN 0.078 nan 8.360 nan 0.000 0.449 5391 K N 0.836 121.246 120.400 0.017 0.000 2.057 5391 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 5391 K C 2.234 178.789 176.600 -0.075 0.000 1.049 5391 K CA 1.195 57.443 56.287 -0.065 0.000 0.931 5391 K CB -0.063 32.414 32.500 -0.039 0.000 0.714 5391 K HN 0.078 nan 8.250 nan 0.000 0.440 5392 M N 0.767 120.360 119.600 -0.012 0.000 2.067 5392 M HA -0.188 4.292 4.480 -0.001 0.000 0.260 5392 M C 1.877 178.173 176.300 -0.007 0.000 1.069 5392 M CA 1.623 56.922 55.300 -0.001 0.000 1.117 5392 M CB -0.071 32.549 32.600 0.034 0.000 1.334 5392 M HN 0.183 nan 8.290 nan 0.000 0.407 5393 L N -0.012 121.236 121.223 0.041 0.000 2.083 5393 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 5393 L C 2.690 179.546 176.870 -0.022 0.000 1.083 5393 L CA 1.053 55.949 54.840 0.093 0.000 0.752 5393 L CB -0.919 41.290 42.059 0.251 0.000 0.899 5393 L HN 0.379 nan 8.230 nan 0.000 0.433 5394 K N 0.401 120.588 120.400 -0.355 0.000 2.097 5394 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 5394 K C 1.400 177.825 176.600 -0.290 0.000 1.049 5394 K CA 1.731 57.596 56.287 -0.704 0.000 0.933 5394 K CB -0.091 31.850 32.500 -0.933 0.000 0.717 5394 K HN 0.277 nan 8.250 nan 0.000 0.442 5395 D N 0.289 120.585 120.400 -0.173 0.000 2.183 5395 D HA -0.093 4.546 4.640 -0.001 0.000 0.203 5395 D C 1.959 178.223 176.300 -0.060 0.000 0.969 5395 D CA 0.686 54.627 54.000 -0.098 0.000 0.842 5395 D CB 0.051 40.811 40.800 -0.067 0.000 0.957 5395 D HN 0.175 nan 8.370 nan 0.000 0.484 5396 M N 0.211 119.786 119.600 -0.043 0.000 2.132 5396 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 5396 M C 2.250 178.545 176.300 -0.010 0.000 1.065 5396 M CA 0.709 56.002 55.300 -0.012 0.000 1.122 5396 M CB -0.734 31.874 32.600 0.013 0.000 1.365 5396 M HN -0.084 nan 8.290 nan 0.000 0.411 5397 V N 0.298 120.202 119.914 -0.017 0.000 2.453 5397 V HA -0.137 3.983 4.120 -0.001 0.000 0.247 5397 V C 2.668 178.744 176.094 -0.031 0.000 1.048 5397 V CA 1.544 63.839 62.300 -0.009 0.000 1.049 5397 V CB -1.233 30.602 31.823 0.020 0.000 0.672 5397 V HN 0.458 nan 8.190 nan 0.000 0.457 5398 A N -0.014 122.771 122.820 -0.058 0.000 1.972 5398 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 5398 A C 2.168 179.732 177.584 -0.034 0.000 1.169 5398 A CA 1.974 53.979 52.037 -0.054 0.000 0.635 5398 A CB -0.394 18.562 19.000 -0.075 0.000 0.810 5398 A HN 0.550 nan 8.150 nan 0.000 0.446 5399 E N 0.294 120.478 120.200 -0.028 0.000 2.072 5399 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 5399 E C 1.683 178.277 176.600 -0.010 0.000 0.982 5399 E CA 1.198 57.588 56.400 -0.016 0.000 0.803 5399 E CB -0.359 29.334 29.700 -0.012 0.000 0.755 5399 E HN 0.634 nan 8.360 nan 0.000 0.453 5400 I N 0.297 120.862 120.570 -0.008 0.000 2.179 5400 I HA -0.254 3.916 4.170 -0.001 0.000 0.242 5400 I C 2.300 178.412 176.117 -0.007 0.000 1.088 5400 I CA 1.270 62.567 61.300 -0.004 0.000 1.357 5400 I CB -0.251 37.747 38.000 -0.004 0.000 1.051 5400 I HN 0.068 nan 8.210 nan 0.000 0.409 5401 K N 1.578 121.971 120.400 -0.013 0.000 2.097 5401 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 5401 K C 2.035 178.628 176.600 -0.012 0.000 1.049 5401 K CA 1.627 57.906 56.287 -0.014 0.000 0.933 5401 K CB -0.356 32.132 32.500 -0.020 0.000 0.717 5401 K HN 0.276 nan 8.250 nan 0.000 0.442 5402 A N -0.166 122.646 122.820 -0.013 0.000 1.933 5402 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 5402 A C 2.183 179.764 177.584 -0.005 0.000 1.175 5402 A CA 2.063 54.093 52.037 -0.010 0.000 0.628 5402 A CB -0.718 18.274 19.000 -0.012 0.000 0.814 5402 A HN 0.354 nan 8.150 nan 0.000 0.444 5403 S N -1.794 113.905 115.700 -0.003 0.000 2.423 5403 S HA 0.233 4.703 4.470 -0.001 0.000 0.231 5403 S C 1.533 176.135 174.600 0.004 0.000 1.014 5403 S CA 1.257 59.458 58.200 0.002 0.000 0.965 5403 S CB -0.121 63.082 63.200 0.006 0.000 0.785 5403 S HN 1.683 nan 8.310 nan 0.000 0.495 5404 G N 0.580 109.381 108.800 0.001 0.000 2.168 5404 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.197 5404 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.197 5404 G C 0.086 174.988 174.900 0.003 0.000 0.997 5404 G CA -0.179 44.922 45.100 0.002 0.000 0.658 5404 G HN 0.804 nan 8.290 nan 0.000 0.513 5405 A N 0.261 123.082 122.820 0.003 0.000 2.407 5405 A HA 0.638 4.958 4.320 -0.001 0.000 0.248 5405 A C 0.938 178.517 177.584 -0.007 0.000 1.082 5405 A CA 0.943 52.982 52.037 0.003 0.000 0.785 5405 A CB 0.251 19.254 19.000 0.005 0.000 1.020 5405 A HN 1.297 nan 8.150 nan 0.000 0.489 5406 N N -0.636 118.057 118.700 -0.011 0.000 2.036 5406 N HA 0.202 4.941 4.740 -0.001 0.000 0.228 5406 N C -0.958 174.524 175.510 -0.045 0.000 1.368 5406 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 5406 N CB 0.482 38.960 38.487 -0.015 0.000 1.145 5406 N HN 0.268 nan 8.380 nan 0.000 0.502 5407 V N 1.518 121.402 119.914 -0.050 0.000 2.656 5407 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 5407 V C -1.146 174.860 176.094 -0.148 0.000 1.051 5407 V CA -0.770 61.456 62.300 -0.122 0.000 0.893 5407 V CB 2.402 34.197 31.823 -0.047 0.000 0.999 5407 V HN 0.230 nan 8.190 nan 0.000 0.426 5408 L N 5.460 126.495 121.223 -0.312 0.000 2.441 5408 L HA 0.614 4.954 4.340 -0.001 0.000 0.270 5408 L C -1.927 174.706 176.870 -0.394 0.000 0.973 5408 L CA -0.103 54.604 54.840 -0.220 0.000 0.842 5408 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 5408 L HN 0.598 nan 8.230 nan 0.000 0.406 5409 F N 4.392 124.346 119.950 0.006 0.000 2.402 5409 F HA 0.360 4.887 4.527 -0.001 0.000 0.355 5409 F C 0.399 176.201 175.800 0.005 0.000 1.123 5409 F CA -0.479 57.523 58.000 0.004 0.000 1.021 5409 F CB 1.489 40.489 39.000 -0.001 0.000 1.160 5409 F HN 0.437 nan 8.300 nan 0.000 0.451 5410 C N 5.190 124.577 119.300 0.145 0.000 2.281 5410 C HA 0.220 4.680 4.460 -0.001 0.000 0.325 5410 C C 1.626 176.669 174.990 0.088 0.000 1.282 5410 C CA -0.473 58.599 59.018 0.091 0.000 1.640 5410 C CB 0.647 28.417 27.740 0.050 0.000 2.288 5410 C HN 0.960 nan 8.230 nan 0.000 0.507 5411 Q N 3.531 123.373 119.800 0.070 0.000 2.170 5411 Q HA -0.063 4.277 4.340 -0.001 0.000 0.203 5411 Q C 0.751 176.774 176.000 0.038 0.000 0.976 5411 Q CA 1.631 57.464 55.803 0.049 0.000 0.858 5411 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 5411 Q HN 0.761 nan 8.270 nan 0.000 0.433 5412 K N -1.160 119.262 120.400 0.036 0.000 2.632 5412 K HA 0.446 4.766 4.320 -0.001 0.000 0.267 5412 K C 0.318 176.936 176.600 0.030 0.000 1.028 5412 K CA -0.202 56.102 56.287 0.028 0.000 1.045 5412 K CB 0.190 32.705 32.500 0.024 0.000 1.400 5412 K HN 0.112 nan 8.250 nan 0.000 0.522 5413 G N 0.261 109.076 108.800 0.024 0.000 2.599 5413 G HA2 0.435 4.395 3.960 -0.001 0.000 0.264 5413 G HA3 0.435 4.395 3.960 -0.001 0.000 0.264 5413 G C -0.528 174.386 174.900 0.023 0.000 1.200 5413 G CA -0.527 44.586 45.100 0.022 0.000 0.896 5413 G HN 0.367 nan 8.290 nan 0.000 0.536 5414 I N 0.246 120.828 120.570 0.021 0.000 2.499 5414 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 5414 I C -0.493 175.638 176.117 0.022 0.000 1.048 5414 I CA -0.789 60.525 61.300 0.023 0.000 1.062 5414 I CB 2.157 40.167 38.000 0.017 0.000 1.238 5414 I HN 0.429 nan 8.210 nan 0.000 0.426 5415 D N 5.315 125.734 120.400 0.031 0.000 2.443 5415 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 5415 D C 0.756 177.067 176.300 0.018 0.000 1.136 5415 D CA 0.063 54.079 54.000 0.028 0.000 0.879 5415 D CB 1.330 42.156 40.800 0.043 0.000 1.195 5415 D HN 0.639 nan 8.370 nan 0.000 0.443 5416 D N 3.566 123.967 120.400 0.002 0.000 2.158 5416 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 5416 D C 1.955 178.234 176.300 -0.036 0.000 0.995 5416 D CA 0.776 54.767 54.000 -0.015 0.000 0.846 5416 D CB -0.372 40.413 40.800 -0.024 0.000 0.941 5416 D HN 0.363 nan 8.370 nan 0.000 0.456 5417 L N 0.561 121.755 121.223 -0.048 0.000 2.072 5417 L HA 0.148 4.487 4.340 -0.001 0.000 0.205 5417 L C 2.378 179.161 176.870 -0.145 0.000 1.079 5417 L CA 1.860 56.620 54.840 -0.135 0.000 0.752 5417 L CB -0.990 41.018 42.059 -0.085 0.000 0.906 5417 L HN 0.102 nan 8.230 nan 0.000 0.436 5418 A N -1.130 121.719 122.820 0.048 0.000 1.972 5418 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 5418 A C 2.165 179.805 177.584 0.093 0.000 1.169 5418 A CA 1.729 53.866 52.037 0.166 0.000 0.635 5418 A CB -0.520 18.562 19.000 0.136 0.000 0.810 5418 A HN 0.667 nan 8.150 nan 0.000 0.446 5419 Q N -1.653 118.168 119.800 0.034 0.000 2.124 5419 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 5419 Q C 2.045 178.055 176.000 0.016 0.000 0.977 5419 Q CA 1.681 57.496 55.803 0.020 0.000 0.850 5419 Q CB -0.317 28.427 28.738 0.010 0.000 0.901 5419 Q HN 0.933 nan 8.270 nan 0.000 0.429 5420 H N -0.392 118.609 119.070 -0.115 0.000 2.353 5420 H HA -0.172 4.383 4.556 -0.001 0.000 0.300 5420 H C 1.356 176.632 175.328 -0.087 0.000 1.090 5420 H CA 1.716 57.673 56.048 -0.151 0.000 1.327 5420 H CB -0.078 29.519 29.762 -0.275 0.000 1.383 5420 H HN 0.224 nan 8.280 nan 0.000 0.508 5421 Y N 0.175 120.452 120.300 -0.039 0.000 2.224 5421 Y HA -0.132 4.417 4.550 -0.001 0.000 0.289 5421 Y C 2.565 178.402 175.900 -0.104 0.000 1.146 5421 Y CA 1.036 59.083 58.100 -0.089 0.000 1.182 5421 Y CB -0.641 37.816 38.460 -0.004 0.000 0.983 5421 Y HN 0.219 nan 8.280 nan 0.000 0.524 5422 L N -1.038 120.232 121.223 0.079 0.000 2.046 5422 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 5422 L C 2.640 179.490 176.870 -0.035 0.000 1.077 5422 L CA 1.236 56.085 54.840 0.014 0.000 0.747 5422 L CB -0.830 41.231 42.059 0.003 0.000 0.896 5422 L HN 0.183 nan 8.230 nan 0.000 0.432 5423 A N -0.122 122.657 122.820 -0.069 0.000 1.930 5423 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 5423 A C 2.368 179.880 177.584 -0.119 0.000 1.175 5423 A CA 1.820 53.802 52.037 -0.092 0.000 0.627 5423 A CB -0.424 18.518 19.000 -0.096 0.000 0.815 5423 A HN 0.327 nan 8.150 nan 0.000 0.443 5424 K N -0.424 119.868 120.400 -0.180 0.000 2.147 5424 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 5424 K C 1.031 177.596 176.600 -0.059 0.000 1.049 5424 K CA 1.485 57.686 56.287 -0.143 0.000 0.936 5424 K CB 0.005 32.421 32.500 -0.140 0.000 0.722 5424 K HN 0.334 nan 8.250 nan 0.000 0.446 5425 E N -0.719 119.457 120.200 -0.039 0.000 2.479 5425 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 5425 E C 0.687 177.270 176.600 -0.028 0.000 1.049 5425 E CA 0.665 57.049 56.400 -0.026 0.000 0.870 5425 E CB 0.828 30.517 29.700 -0.018 0.000 0.944 5425 E HN 0.538 nan 8.360 nan 0.000 0.492 5426 G N 1.926 110.704 108.800 -0.036 0.000 2.160 5426 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 5426 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 5426 G C 0.228 175.108 174.900 -0.034 0.000 1.022 5426 G CA 0.100 45.181 45.100 -0.032 0.000 0.741 5426 G HN 0.271 nan 8.290 nan 0.000 0.508 5427 I N 1.136 121.683 120.570 -0.040 0.000 2.325 5427 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 5427 I C 1.074 177.151 176.117 -0.066 0.000 1.019 5427 I CA -1.054 60.217 61.300 -0.049 0.000 1.302 5427 I CB 1.491 39.465 38.000 -0.043 0.000 1.401 5427 I HN 0.153 nan 8.210 nan 0.000 0.485 5428 V N 3.910 123.773 119.914 -0.085 0.000 2.546 5428 V HA 0.905 5.024 4.120 -0.001 0.000 0.284 5428 V C 0.095 176.072 176.094 -0.195 0.000 1.050 5428 V CA -0.252 61.980 62.300 -0.113 0.000 0.981 5428 V CB 1.099 32.863 31.823 -0.098 0.000 0.990 5428 V HN 0.834 nan 8.190 nan 0.000 0.474 5429 A N 3.536 126.241 122.820 -0.191 0.000 2.549 5429 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 5429 A C -0.400 177.067 177.584 -0.196 0.000 1.061 5429 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 5429 A CB 1.818 20.738 19.000 -0.133 0.000 1.287 5429 A HN 2.381 nan 8.150 nan 0.000 0.402 5430 A N 1.390 124.077 122.820 -0.220 0.000 2.449 5430 A HA 0.847 5.167 4.320 -0.001 0.000 0.302 5430 A C -0.302 177.296 177.584 0.022 0.000 1.048 5430 A CA -0.607 51.398 52.037 -0.053 0.000 0.708 5430 A CB 1.156 20.183 19.000 0.045 0.000 1.274 5430 A HN 1.403 nan 8.150 nan 0.000 0.410 5431 R N 1.390 121.913 120.500 0.037 0.000 2.832 5431 R HA 0.795 5.134 4.340 -0.001 0.000 0.271 5431 R C -0.470 175.861 176.300 0.052 0.000 0.996 5431 R CA -0.767 55.359 56.100 0.044 0.000 0.977 5431 R CB 0.801 31.116 30.300 0.025 0.000 1.168 5431 R HN 0.577 nan 8.270 nan 0.000 0.482 5432 R N -0.135 120.394 120.500 0.048 0.000 3.532 5432 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 5432 R C -0.773 175.553 176.300 0.043 0.000 1.140 5432 R CA 0.602 56.725 56.100 0.038 0.000 0.768 5432 R CB -2.351 27.966 30.300 0.027 0.000 1.252 5432 R HN 0.549 nan 8.270 nan 0.000 0.454 5433 V N 1.498 121.450 119.914 0.064 0.000 2.572 5433 V HA 0.063 4.182 4.120 -0.001 0.000 0.291 5433 V C 1.426 177.531 176.094 0.018 0.000 1.039 5433 V CA -0.111 62.223 62.300 0.057 0.000 1.055 5433 V CB 1.332 33.215 31.823 0.101 0.000 0.969 5433 V HN 0.137 nan 8.190 nan 0.000 0.482 5434 K N 4.155 124.553 120.400 -0.004 0.000 2.448 5434 K HA 0.029 4.348 4.320 -0.001 0.000 0.278 5434 K C 1.388 177.974 176.600 -0.022 0.000 1.009 5434 K CA -0.241 56.037 56.287 -0.014 0.000 0.995 5434 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 5434 K HN 0.609 nan 8.250 nan 0.000 0.481 5435 K N 2.140 122.532 120.400 -0.014 0.000 2.074 5435 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 5435 K C 1.766 178.349 176.600 -0.028 0.000 1.048 5435 K CA 1.954 58.231 56.287 -0.016 0.000 0.926 5435 K CB -0.229 32.266 32.500 -0.009 0.000 0.713 5435 K HN 0.683 nan 8.250 nan 0.000 0.444 5436 S N 1.040 116.721 115.700 -0.031 0.000 2.370 5436 S HA -0.163 4.306 4.470 -0.001 0.000 0.226 5436 S C 1.378 175.941 174.600 -0.061 0.000 1.033 5436 S CA 1.795 59.971 58.200 -0.040 0.000 1.011 5436 S CB -0.216 62.962 63.200 -0.036 0.000 0.852 5436 S HN 0.303 nan 8.310 nan 0.000 0.457 5437 D N 0.835 121.190 120.400 -0.076 0.000 2.144 5437 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 5437 D C 2.000 178.207 176.300 -0.155 0.000 0.984 5437 D CA 0.921 54.847 54.000 -0.123 0.000 0.834 5437 D CB -0.251 40.471 40.800 -0.130 0.000 0.955 5437 D HN 0.384 nan 8.370 nan 0.000 0.465 5438 M N 0.450 119.986 119.600 -0.107 0.000 2.175 5438 M HA -0.081 4.398 4.480 -0.001 0.000 0.264 5438 M C 1.902 178.156 176.300 -0.077 0.000 1.063 5438 M CA 1.192 56.438 55.300 -0.091 0.000 1.119 5438 M CB -0.775 31.805 32.600 -0.033 0.000 1.377 5438 M HN 0.111 nan 8.290 nan 0.000 0.415 5439 E N 0.090 120.253 120.200 -0.061 0.000 2.072 5439 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 5439 E C 2.061 178.628 176.600 -0.056 0.000 0.982 5439 E CA 0.838 57.210 56.400 -0.046 0.000 0.803 5439 E CB -0.007 29.673 29.700 -0.034 0.000 0.755 5439 E HN 0.500 nan 8.360 nan 0.000 0.453 5440 K N 0.648 121.004 120.400 -0.075 0.000 2.097 5440 K HA -0.096 4.224 4.320 -0.001 0.000 0.206 5440 K C 2.200 178.745 176.600 -0.091 0.000 1.049 5440 K CA 0.809 57.050 56.287 -0.077 0.000 0.933 5440 K CB -0.088 32.358 32.500 -0.090 0.000 0.717 5440 K HN 0.111 nan 8.250 nan 0.000 0.442 5441 L N 0.505 121.648 121.223 -0.135 0.000 2.083 5441 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 5441 L C 2.585 179.412 176.870 -0.072 0.000 1.083 5441 L CA 1.081 55.832 54.840 -0.149 0.000 0.752 5441 L CB -0.546 41.349 42.059 -0.274 0.000 0.899 5441 L HN 0.198 nan 8.230 nan 0.000 0.433 5442 A N -0.271 122.518 122.820 -0.052 0.000 1.898 5442 A HA -0.166 4.154 4.320 -0.001 0.000 0.216 5442 A C 2.340 179.916 177.584 -0.012 0.000 1.181 5442 A CA 1.317 53.342 52.037 -0.020 0.000 0.620 5442 A CB -0.240 18.751 19.000 -0.015 0.000 0.819 5442 A HN 0.186 nan 8.150 nan 0.000 0.442 5443 K N -0.005 120.383 120.400 -0.020 0.000 2.002 5443 K HA -0.063 4.257 4.320 -0.001 0.000 0.209 5443 K C 2.342 178.941 176.600 -0.002 0.000 1.048 5443 K CA 1.442 57.722 56.287 -0.011 0.000 0.930 5443 K CB -0.876 31.615 32.500 -0.016 0.000 0.714 5443 K HN 0.435 nan 8.250 nan 0.000 0.438 5444 A N 1.271 124.084 122.820 -0.011 0.000 1.841 5444 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 5444 A C 2.379 179.972 177.584 0.014 0.000 1.195 5444 A CA 2.729 54.766 52.037 -0.001 0.000 0.611 5444 A CB -1.075 17.915 19.000 -0.016 0.000 0.835 5444 A HN 0.516 nan 8.150 nan 0.000 0.443 5445 T N -4.479 110.081 114.554 0.010 0.000 3.043 5445 T HA 0.369 4.718 4.350 -0.001 0.000 0.263 5445 T C 1.489 176.208 174.700 0.032 0.000 1.094 5445 T CA 1.250 63.365 62.100 0.025 0.000 1.127 5445 T CB -0.066 68.822 68.868 0.032 0.000 0.905 5445 T HN 1.833 nan 8.240 nan 0.000 0.490 5446 G N 1.466 110.281 108.800 0.025 0.000 2.143 5446 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.249 5446 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.249 5446 G C 0.280 175.196 174.900 0.025 0.000 0.981 5446 G CA -0.004 45.112 45.100 0.026 0.000 0.665 5446 G HN 1.185 nan 8.290 nan 0.000 0.528 5447 A N -0.284 122.553 122.820 0.027 0.000 2.445 5447 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 5447 A C 0.428 178.028 177.584 0.026 0.000 1.075 5447 A CA 0.674 52.732 52.037 0.035 0.000 0.777 5447 A CB 0.390 19.422 19.000 0.052 0.000 1.013 5447 A HN 0.885 nan 8.150 nan 0.000 0.493 5448 N N 1.491 120.208 118.700 0.030 0.000 2.417 5448 N HA 0.375 5.115 4.740 -0.001 0.000 0.274 5448 N C -1.009 174.518 175.510 0.027 0.000 0.987 5448 N CA -0.420 52.643 53.050 0.023 0.000 0.912 5448 N CB 1.375 39.874 38.487 0.020 0.000 1.177 5448 N HN 0.283 nan 8.380 nan 0.000 0.490 5449 V N 4.814 124.741 119.914 0.022 0.000 2.485 5449 V HA 0.177 4.297 4.120 -0.001 0.000 0.287 5449 V C 0.335 176.443 176.094 0.022 0.000 1.022 5449 V CA -0.071 62.244 62.300 0.025 0.000 1.067 5449 V CB -0.113 31.720 31.823 0.016 0.000 0.967 5449 V HN 0.516 nan 8.190 nan 0.000 0.479 5450 I N 4.124 124.710 120.570 0.027 0.000 2.404 5450 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 5450 I C 1.026 177.156 176.117 0.022 0.000 0.992 5450 I CA -0.370 60.944 61.300 0.022 0.000 1.149 5450 I CB 1.408 39.421 38.000 0.022 0.000 1.315 5450 I HN 0.626 nan 8.210 nan 0.000 0.446 5451 A N 5.379 128.209 122.820 0.017 0.000 1.872 5451 A HA 0.313 4.633 4.320 -0.001 0.000 0.214 5451 A C 1.111 178.705 177.584 0.017 0.000 1.187 5451 A CA 1.117 53.163 52.037 0.016 0.000 0.614 5451 A CB -0.037 18.971 19.000 0.013 0.000 0.826 5451 A HN 0.734 nan 8.150 nan 0.000 0.442 5452 A N -0.905 121.924 122.820 0.015 0.000 2.317 5452 A HA 0.654 4.974 4.320 -0.001 0.000 0.327 5452 A C 0.767 178.360 177.584 0.015 0.000 1.178 5452 A CA -0.600 51.446 52.037 0.015 0.000 0.817 5452 A CB 0.422 19.430 19.000 0.012 0.000 1.189 5452 A HN 0.306 nan 8.150 nan 0.000 0.489 5453 I N 1.898 122.477 120.570 0.015 0.000 2.264 5453 I HA -0.310 3.859 4.170 -0.001 0.000 0.248 5453 I C 2.752 178.875 176.117 0.010 0.000 1.111 5453 I CA 1.795 63.104 61.300 0.014 0.000 1.382 5453 I CB -0.206 37.803 38.000 0.014 0.000 1.060 5453 I HN 0.760 nan 8.210 nan 0.000 0.418 5454 A N 0.658 123.483 122.820 0.009 0.000 1.972 5454 A HA -0.128 4.192 4.320 -0.001 0.000 0.219 5454 A C 2.421 180.009 177.584 0.006 0.000 1.169 5454 A CA 1.721 53.761 52.037 0.006 0.000 0.635 5454 A CB -0.655 18.349 19.000 0.006 0.000 0.810 5454 A HN 0.447 nan 8.150 nan 0.000 0.446 5455 A N -0.700 122.125 122.820 0.009 0.000 2.206 5455 A HA 0.341 4.661 4.320 -0.001 0.000 0.211 5455 A C 0.915 178.504 177.584 0.010 0.000 1.158 5455 A CA -0.126 51.917 52.037 0.009 0.000 0.761 5455 A CB -0.493 18.513 19.000 0.010 0.000 0.801 5455 A HN 0.456 nan 8.150 nan 0.000 0.473 5456 L N 1.529 122.759 121.223 0.010 0.000 2.490 5456 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 5456 L C 0.719 177.594 176.870 0.009 0.000 1.201 5456 L CA 0.167 55.014 54.840 0.011 0.000 0.869 5456 L CB 0.559 42.624 42.059 0.011 0.000 1.123 5456 L HN 0.470 nan 8.230 nan 0.000 0.484 5457 S N 1.319 117.025 115.700 0.010 0.000 2.651 5457 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 5457 S C 0.438 175.045 174.600 0.011 0.000 1.148 5457 S CA -0.283 57.922 58.200 0.009 0.000 0.837 5457 S CB 1.652 64.857 63.200 0.008 0.000 1.138 5457 S HN 0.597 nan 8.310 nan 0.000 0.478 5458 A N 0.588 123.413 122.820 0.009 0.000 1.978 5458 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 5458 A C 1.946 179.539 177.584 0.014 0.000 1.170 5458 A CA 1.330 53.373 52.037 0.011 0.000 0.636 5458 A CB -0.844 18.162 19.000 0.009 0.000 0.810 5458 A HN 0.730 nan 8.150 nan 0.000 0.448 5459 Q N 0.120 119.928 119.800 0.013 0.000 2.436 5459 Q HA -0.090 4.249 4.340 -0.001 0.000 0.209 5459 Q C 0.389 176.399 176.000 0.017 0.000 0.965 5459 Q CA 0.937 56.748 55.803 0.014 0.000 0.910 5459 Q CB -0.188 28.556 28.738 0.011 0.000 0.980 5459 Q HN 0.658 nan 8.270 nan 0.000 0.491 5460 D N -0.184 120.227 120.400 0.018 0.000 2.339 5460 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 5460 D C 0.407 176.724 176.300 0.028 0.000 1.050 5460 D CA 0.104 54.117 54.000 0.022 0.000 0.856 5460 D CB 0.607 41.420 40.800 0.021 0.000 0.922 5460 D HN 0.197 nan 8.370 nan 0.000 0.518 5461 L N 0.778 122.018 121.223 0.028 0.000 2.371 5461 L HA 0.430 4.770 4.340 -0.001 0.000 0.272 5461 L C 1.121 178.012 176.870 0.036 0.000 1.124 5461 L CA -0.530 54.330 54.840 0.034 0.000 0.816 5461 L CB 1.393 43.469 42.059 0.029 0.000 1.129 5461 L HN -0.138 nan 8.230 nan 0.000 0.448 5462 G N 1.121 109.948 108.800 0.045 0.000 2.471 5462 G HA2 0.481 4.440 3.960 -0.001 0.000 0.332 5462 G HA3 0.481 4.440 3.960 -0.001 0.000 0.332 5462 G C -1.247 173.681 174.900 0.046 0.000 1.176 5462 G CA -0.459 44.667 45.100 0.044 0.000 0.949 5462 G HN 0.520 nan 8.290 nan 0.000 0.488 5463 D N -0.179 120.245 120.400 0.041 0.000 2.248 5463 D HA 0.621 5.260 4.640 -0.001 0.000 0.246 5463 D C -0.286 176.034 176.300 0.033 0.000 1.027 5463 D CA 0.042 54.063 54.000 0.034 0.000 0.853 5463 D CB 2.137 42.953 40.800 0.026 0.000 1.243 5463 D HN 0.580 nan 8.370 nan 0.000 0.462 5464 A N 0.425 123.266 122.820 0.035 0.000 2.486 5464 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 5464 A C 0.928 178.527 177.584 0.026 0.000 1.048 5464 A CA -0.419 51.639 52.037 0.035 0.000 0.696 5464 A CB 1.718 20.755 19.000 0.062 0.000 1.278 5464 A HN 0.500 nan 8.150 nan 0.000 0.405 5465 G N 0.221 109.031 108.800 0.016 0.000 2.404 5465 G HA2 0.291 4.251 3.960 -0.001 0.000 0.215 5465 G HA3 0.291 4.251 3.960 -0.001 0.000 0.215 5465 G C 0.305 175.218 174.900 0.021 0.000 1.174 5465 G CA 1.680 46.786 45.100 0.009 0.000 0.780 5465 G HN 1.158 nan 8.290 nan 0.000 0.537 5466 L N -0.044 121.200 121.223 0.036 0.000 2.493 5466 L HA 0.647 4.986 4.340 -0.001 0.000 0.265 5466 L C -1.353 175.564 176.870 0.079 0.000 0.954 5466 L CA -0.807 54.060 54.840 0.046 0.000 0.844 5466 L CB 2.578 44.657 42.059 0.033 0.000 1.302 5466 L HN -0.120 nan 8.230 nan 0.000 0.405 5467 V N 4.429 124.394 119.914 0.084 0.000 2.376 5467 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 5467 V C -0.537 175.620 176.094 0.106 0.000 1.015 5467 V CA -0.441 61.932 62.300 0.122 0.000 0.834 5467 V CB 1.420 33.320 31.823 0.128 0.000 1.001 5467 V HN 0.829 nan 8.190 nan 0.000 0.428 5468 E N 3.155 123.442 120.200 0.145 0.000 2.308 5468 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 5468 E C -1.020 175.686 176.600 0.177 0.000 0.890 5468 E CA -0.655 55.817 56.400 0.119 0.000 0.754 5468 E CB 2.194 31.937 29.700 0.073 0.000 1.207 5468 E HN 0.751 nan 8.360 nan 0.000 0.426 5469 E N 4.331 124.605 120.200 0.123 0.000 2.152 5469 E HA 0.237 4.586 4.350 -0.001 0.000 0.285 5469 E C -0.907 175.769 176.600 0.127 0.000 1.043 5469 E CA -0.206 56.274 56.400 0.133 0.000 0.839 5469 E CB 0.678 30.425 29.700 0.078 0.000 1.069 5469 E HN 0.351 nan 8.360 nan 0.000 0.399 5470 R N 3.702 124.321 120.500 0.199 0.000 2.686 5470 R HA 0.396 4.736 4.340 -0.001 0.000 0.283 5470 R C -0.817 175.579 176.300 0.161 0.000 0.978 5470 R CA -0.908 55.281 56.100 0.148 0.000 0.897 5470 R CB 2.021 32.381 30.300 0.101 0.000 1.192 5470 R HN 0.333 nan 8.270 nan 0.000 0.457 5471 K N 2.682 123.138 120.400 0.094 0.000 2.367 5471 K HA 0.406 4.726 4.320 -0.001 0.000 0.263 5471 K C -0.885 175.758 176.600 0.072 0.000 1.000 5471 K CA -0.490 55.845 56.287 0.080 0.000 0.891 5471 K CB 1.215 33.744 32.500 0.049 0.000 1.117 5471 K HN 0.290 nan 8.250 nan 0.000 0.443 5472 I N 1.686 122.312 120.570 0.092 0.000 2.382 5472 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 5472 I C 0.574 176.723 176.117 0.054 0.000 1.002 5472 I CA -0.054 61.291 61.300 0.076 0.000 1.135 5472 I CB 1.908 39.979 38.000 0.118 0.000 1.288 5472 I HN 0.666 nan 8.210 nan 0.000 0.448 5473 S N 4.433 120.154 115.700 0.036 0.000 3.672 5473 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 5473 S C 1.264 175.877 174.600 0.022 0.000 1.151 5473 S CA 1.371 59.585 58.200 0.025 0.000 0.911 5473 S CB -1.248 61.966 63.200 0.023 0.000 0.939 5473 S HN 1.697 nan 8.310 nan 0.000 0.524 5474 G N -0.019 108.795 108.800 0.024 0.000 2.383 5474 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 5474 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 5474 G C -0.294 174.621 174.900 0.026 0.000 1.089 5474 G CA 0.290 45.403 45.100 0.021 0.000 0.640 5474 G HN 0.688 nan 8.290 nan 0.000 0.510 5475 D N 1.270 121.687 120.400 0.029 0.000 2.345 5475 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 5475 D C 0.447 176.774 176.300 0.045 0.000 1.108 5475 D CA 0.647 54.665 54.000 0.029 0.000 0.894 5475 D CB 1.573 42.386 40.800 0.021 0.000 1.203 5475 D HN 0.259 nan 8.370 nan 0.000 0.430 5476 S N 2.050 117.775 115.700 0.041 0.000 2.523 5476 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 5476 S C -0.131 174.499 174.600 0.050 0.000 1.281 5476 S CA -0.728 57.505 58.200 0.056 0.000 1.050 5476 S CB 0.047 63.275 63.200 0.046 0.000 0.937 5476 S HN 0.406 nan 8.310 nan 0.000 0.492 5477 M N 4.533 124.179 119.600 0.078 0.000 2.421 5477 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 5477 M C -1.867 174.471 176.300 0.064 0.000 1.183 5477 M CA -0.642 54.666 55.300 0.013 0.000 0.916 5477 M CB 1.085 33.638 32.600 -0.080 0.000 1.701 5477 M HN 0.419 nan 8.290 nan 0.000 0.470 5478 I N 2.918 123.491 120.570 0.006 0.000 2.336 5478 I HA 0.422 4.591 4.170 -0.001 0.000 0.292 5478 I C -1.170 174.928 176.117 -0.032 0.000 0.991 5478 I CA -0.392 60.974 61.300 0.110 0.000 1.227 5478 I CB 1.114 39.234 38.000 0.199 0.000 1.366 5478 I HN 0.503 nan 8.210 nan 0.000 0.466 5479 F N 5.829 125.817 119.950 0.063 0.000 2.391 5479 F HA 0.352 4.878 4.527 -0.001 0.000 0.359 5479 F C 0.138 175.972 175.800 0.056 0.000 1.122 5479 F CA -0.647 57.378 58.000 0.042 0.000 1.120 5479 F CB 1.289 40.305 39.000 0.027 0.000 1.142 5479 F HN 0.031 nan 8.300 nan 0.000 0.483 5480 V N 4.381 124.386 119.914 0.152 0.000 2.293 5480 V HA 0.352 4.472 4.120 -0.001 0.000 0.275 5480 V C -0.307 175.845 176.094 0.098 0.000 1.021 5480 V CA -0.559 61.812 62.300 0.118 0.000 0.815 5480 V CB 0.485 32.347 31.823 0.066 0.000 1.025 5480 V HN 0.824 nan 8.190 nan 0.000 0.448 5481 E N 3.045 123.309 120.200 0.107 0.000 2.433 5481 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 5481 E C -0.691 175.937 176.600 0.048 0.000 0.950 5481 E CA -0.872 55.578 56.400 0.083 0.000 0.796 5481 E CB 1.619 31.385 29.700 0.110 0.000 1.330 5481 E HN 0.194 nan 8.360 nan 0.000 0.455 5482 E N -0.957 119.260 120.200 0.028 0.000 2.553 5482 E HA -0.161 4.189 4.350 -0.001 0.000 0.264 5482 E C -0.490 176.103 176.600 -0.010 0.000 1.068 5482 E CA 0.677 57.080 56.400 0.005 0.000 0.774 5482 E CB -2.478 27.224 29.700 0.004 0.000 1.349 5482 E HN 0.593 nan 8.360 nan 0.000 0.404 5483 C N 0.471 119.767 119.300 -0.007 0.000 2.705 5483 C HA 0.071 4.531 4.460 -0.001 0.000 0.382 5483 C C 2.362 177.308 174.990 -0.073 0.000 1.322 5483 C CA -0.067 58.941 59.018 -0.018 0.000 2.290 5483 C CB 0.423 28.165 27.740 0.002 0.000 2.650 5483 C HN 0.408 nan 8.230 nan 0.000 0.695 5484 K N 0.302 120.641 120.400 -0.102 0.000 1.969 5484 K HA -0.106 4.213 4.320 -0.001 0.000 0.216 5484 K C 0.416 176.718 176.600 -0.497 0.000 1.048 5484 K CA 1.469 57.591 56.287 -0.275 0.000 0.948 5484 K CB -0.114 32.276 32.500 -0.184 0.000 0.726 5484 K HN 0.670 nan 8.250 nan 0.000 0.442 5485 H N 0.248 119.324 119.070 0.010 0.000 2.448 5485 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 5485 H C -2.505 172.827 175.328 0.006 0.000 1.391 5485 H CA -2.013 54.039 56.048 0.007 0.000 1.477 5485 H CB 0.614 30.379 29.762 0.006 0.000 1.520 5485 H HN 0.189 nan 8.280 nan 0.000 0.502 5486 P HA 0.069 nan 4.420 nan 0.000 0.271 5486 P C 0.681 178.010 177.300 0.047 0.000 1.226 5486 P CA -0.406 62.721 63.100 0.045 0.000 0.765 5486 P CB 1.674 33.388 31.700 0.023 0.000 0.835 5487 K N 0.937 121.357 120.400 0.034 0.000 2.358 5487 K HA 0.376 4.695 4.320 -0.001 0.000 0.197 5487 K C 0.597 177.203 176.600 0.010 0.000 1.025 5487 K CA 0.003 56.304 56.287 0.023 0.000 1.104 5487 K CB 0.739 33.251 32.500 0.019 0.000 0.855 5487 K HN 0.551 nan 8.250 nan 0.000 0.531 5488 A N 0.898 123.721 122.820 0.005 0.000 2.486 5488 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 5488 A C -0.558 177.023 177.584 -0.005 0.000 1.048 5488 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 5488 A CB 1.515 20.503 19.000 -0.019 0.000 1.278 5488 A HN -0.063 nan 8.150 nan 0.000 0.405 5489 V N -1.214 118.696 119.914 -0.006 0.000 3.102 5489 V HA 0.980 5.099 4.120 -0.001 0.000 0.312 5489 V C -0.433 175.654 176.094 -0.011 0.000 1.135 5489 V CA -0.622 61.677 62.300 -0.002 0.000 1.022 5489 V CB 1.640 33.468 31.823 0.008 0.000 1.056 5489 V HN 0.900 nan 8.190 nan 0.000 0.436 5490 T N 3.329 117.879 114.554 -0.005 0.000 2.886 5490 T HA 0.580 4.930 4.350 -0.001 0.000 0.292 5490 T C -0.632 174.071 174.700 0.006 0.000 1.012 5490 T CA -0.259 61.831 62.100 -0.017 0.000 0.982 5490 T CB 1.515 70.353 68.868 -0.051 0.000 1.018 5490 T HN 0.982 nan 8.240 nan 0.000 0.451 5491 M N 4.256 123.856 119.600 0.001 0.000 2.066 5491 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 5491 M C -1.501 174.807 176.300 0.014 0.000 1.053 5491 M CA -1.102 54.206 55.300 0.015 0.000 0.983 5491 M CB 0.571 33.177 32.600 0.010 0.000 1.520 5491 M HN 0.476 nan 8.290 nan 0.000 0.428 5492 L N 7.578 128.824 121.223 0.039 0.000 2.255 5492 L HA 0.524 4.863 4.340 -0.001 0.000 0.289 5492 L C -1.230 175.665 176.870 0.041 0.000 1.046 5492 L CA 0.064 54.932 54.840 0.046 0.000 0.816 5492 L CB 0.512 42.637 42.059 0.110 0.000 1.197 5492 L HN 0.672 nan 8.230 nan 0.000 0.427 5493 I N 5.883 126.468 120.570 0.025 0.000 2.331 5493 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 5493 I C 0.137 176.267 176.117 0.022 0.000 0.998 5493 I CA -0.585 60.727 61.300 0.021 0.000 1.267 5493 I CB 0.580 38.587 38.000 0.013 0.000 1.386 5493 I HN 0.526 nan 8.210 nan 0.000 0.476 5494 R N 4.123 124.637 120.500 0.023 0.000 2.873 5494 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 5494 R C -0.273 176.037 176.300 0.017 0.000 1.026 5494 R CA -1.041 55.071 56.100 0.021 0.000 1.002 5494 R CB 1.944 32.259 30.300 0.025 0.000 1.174 5494 R HN 0.864 nan 8.270 nan 0.000 0.488 5495 G N -1.033 107.775 108.800 0.015 0.000 2.340 5495 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 5495 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 5495 G C -0.072 174.836 174.900 0.013 0.000 1.498 5495 G CA -0.249 44.859 45.100 0.014 0.000 0.847 5495 G HN 0.377 nan 8.290 nan 0.000 0.594 5496 T N -0.551 114.012 114.554 0.015 0.000 3.035 5496 T HA 0.314 4.664 4.350 -0.001 0.000 0.268 5496 T C 0.777 175.486 174.700 0.014 0.000 1.109 5496 T CA 2.115 64.224 62.100 0.014 0.000 1.119 5496 T CB -0.236 68.642 68.868 0.016 0.000 0.900 5496 T HN 0.699 nan 8.240 nan 0.000 0.503 5497 T N 0.193 114.756 114.554 0.016 0.000 2.894 5497 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 5497 T C 0.284 174.980 174.700 -0.007 0.000 1.208 5497 T CA -0.682 61.426 62.100 0.013 0.000 1.016 5497 T CB 2.160 71.054 68.868 0.043 0.000 1.192 5497 T HN -0.078 nan 8.240 nan 0.000 0.491 5498 E N 0.708 120.872 120.200 -0.061 0.000 2.085 5498 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 5498 E C 1.566 178.084 176.600 -0.137 0.000 0.994 5498 E CA 1.836 58.157 56.400 -0.133 0.000 0.801 5498 E CB -0.059 29.500 29.700 -0.234 0.000 0.743 5498 E HN 0.609 nan 8.360 nan 0.000 0.453 5499 H N -0.886 118.187 119.070 0.005 0.000 2.495 5499 H HA 0.019 4.574 4.556 -0.001 0.000 0.287 5499 H C 2.035 177.366 175.328 0.005 0.000 1.033 5499 H CA 1.147 57.197 56.048 0.004 0.000 1.307 5499 H CB 0.113 29.877 29.762 0.004 0.000 1.401 5499 H HN 0.113 nan 8.280 nan 0.000 0.555 5500 V N 1.969 121.948 119.914 0.109 0.000 2.283 5500 V HA -0.201 3.919 4.120 -0.001 0.000 0.243 5500 V C 2.656 178.775 176.094 0.043 0.000 1.039 5500 V CA 1.669 64.007 62.300 0.065 0.000 1.016 5500 V CB -0.519 31.332 31.823 0.046 0.000 0.650 5500 V HN 0.401 nan 8.190 nan 0.000 0.449 5501 I N -1.078 119.508 120.570 0.026 0.000 2.756 5501 I HA -0.150 4.020 4.170 -0.001 0.000 0.262 5501 I C 2.239 178.365 176.117 0.015 0.000 1.225 5501 I CA 1.858 63.166 61.300 0.015 0.000 1.472 5501 I CB -0.499 37.503 38.000 0.003 0.000 1.094 5501 I HN 0.421 nan 8.210 nan 0.000 0.454 5502 E N 1.799 122.013 120.200 0.022 0.000 2.046 5502 E HA -0.272 4.077 4.350 -0.001 0.000 0.190 5502 E C 2.232 178.857 176.600 0.042 0.000 0.982 5502 E CA 1.063 57.483 56.400 0.033 0.000 0.800 5502 E CB -0.144 29.593 29.700 0.061 0.000 0.756 5502 E HN 0.542 nan 8.360 nan 0.000 0.449 5503 E N 0.597 120.829 120.200 0.054 0.000 2.153 5503 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 5503 E C 2.094 178.711 176.600 0.029 0.000 0.988 5503 E CA 1.042 57.466 56.400 0.041 0.000 0.811 5503 E CB 0.101 29.826 29.700 0.043 0.000 0.746 5503 E HN 0.215 nan 8.360 nan 0.000 0.466 5504 V N 1.379 121.309 119.914 0.027 0.000 2.358 5504 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 5504 V C 2.667 178.771 176.094 0.017 0.000 1.047 5504 V CA 1.633 63.946 62.300 0.021 0.000 1.035 5504 V CB -0.931 30.904 31.823 0.020 0.000 0.658 5504 V HN 0.360 nan 8.190 nan 0.000 0.452 5505 A N 0.506 123.335 122.820 0.015 0.000 1.908 5505 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 5505 A C 2.310 179.900 177.584 0.011 0.000 1.181 5505 A CA 2.435 54.478 52.037 0.010 0.000 0.627 5505 A CB -0.553 18.451 19.000 0.007 0.000 0.818 5505 A HN 0.469 nan 8.150 nan 0.000 0.445 5506 R N 0.035 120.544 120.500 0.014 0.000 2.075 5506 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 5506 R C 2.174 178.482 176.300 0.012 0.000 1.126 5506 R CA 1.886 57.994 56.100 0.013 0.000 0.963 5506 R CB -0.892 29.417 30.300 0.016 0.000 0.858 5506 R HN 0.394 nan 8.270 nan 0.000 0.435 5507 A N 0.132 122.961 122.820 0.015 0.000 1.883 5507 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 5507 A C 2.225 179.817 177.584 0.013 0.000 1.186 5507 A CA 2.071 54.118 52.037 0.016 0.000 0.624 5507 A CB -0.967 18.044 19.000 0.019 0.000 0.822 5507 A HN 0.329 nan 8.150 nan 0.000 0.444 5508 V N -2.438 117.483 119.914 0.012 0.000 2.871 5508 V HA -0.117 4.002 4.120 -0.001 0.000 0.256 5508 V C 1.913 178.012 176.094 0.007 0.000 1.082 5508 V CA 2.014 64.320 62.300 0.010 0.000 1.105 5508 V CB -0.662 31.167 31.823 0.009 0.000 0.713 5508 V HN 0.549 nan 8.190 nan 0.000 0.473 5509 D N 1.523 121.927 120.400 0.007 0.000 2.104 5509 D HA -0.263 4.376 4.640 -0.001 0.000 0.194 5509 D C 1.626 177.929 176.300 0.005 0.000 0.994 5509 D CA 2.303 56.306 54.000 0.004 0.000 0.830 5509 D CB -0.070 40.732 40.800 0.004 0.000 0.959 5509 D HN 0.601 nan 8.370 nan 0.000 0.452 5510 D N 0.107 120.511 120.400 0.007 0.000 2.144 5510 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 5510 D C 2.039 178.343 176.300 0.007 0.000 0.978 5510 D CA 1.370 55.374 54.000 0.007 0.000 0.833 5510 D CB -0.262 40.543 40.800 0.008 0.000 0.961 5510 D HN 0.255 nan 8.370 nan 0.000 0.470 5511 A N 0.384 123.209 122.820 0.008 0.000 1.908 5511 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 5511 A C 2.365 179.952 177.584 0.006 0.000 1.181 5511 A CA 1.181 53.222 52.037 0.008 0.000 0.627 5511 A CB -0.839 18.166 19.000 0.009 0.000 0.818 5511 A HN 0.152 nan 8.150 nan 0.000 0.445 5512 V N -0.113 119.805 119.914 0.005 0.000 2.295 5512 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 5512 V C 2.830 178.926 176.094 0.004 0.000 1.049 5512 V CA 2.012 64.315 62.300 0.004 0.000 1.024 5512 V CB -1.496 30.329 31.823 0.003 0.000 0.648 5512 V HN 0.618 nan 8.190 nan 0.000 0.447 5513 G N 0.458 109.260 108.800 0.004 0.000 2.446 5513 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.217 5513 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.217 5513 G C 1.724 176.627 174.900 0.004 0.000 1.168 5513 G CA 1.667 46.769 45.100 0.003 0.000 0.771 5513 G HN 0.594 nan 8.290 nan 0.000 0.551 5514 V N -1.441 118.476 119.914 0.005 0.000 2.591 5514 V HA -0.010 4.110 4.120 -0.001 0.000 0.249 5514 V C 2.653 178.750 176.094 0.005 0.000 1.053 5514 V CA 1.370 63.673 62.300 0.005 0.000 1.068 5514 V CB -0.486 31.341 31.823 0.007 0.000 0.689 5514 V HN 0.132 nan 8.190 nan 0.000 0.462 5515 V N 1.990 121.907 119.914 0.005 0.000 2.453 5515 V HA -0.024 4.096 4.120 -0.001 0.000 0.247 5515 V C 2.904 179.000 176.094 0.004 0.000 1.048 5515 V CA 2.137 64.440 62.300 0.005 0.000 1.049 5515 V CB -1.297 30.529 31.823 0.005 0.000 0.672 5515 V HN 0.625 nan 8.190 nan 0.000 0.457 5516 G N -1.116 107.686 108.800 0.004 0.000 2.422 5516 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.218 5516 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.218 5516 G C 1.722 176.624 174.900 0.003 0.000 1.146 5516 G CA 1.291 46.393 45.100 0.003 0.000 0.769 5516 G HN 0.536 nan 8.290 nan 0.000 0.547 5517 C N 0.541 119.843 119.300 0.003 0.000 2.429 5517 C HA -0.024 4.435 4.460 -0.001 0.000 0.277 5517 C C 3.208 178.200 174.990 0.004 0.000 1.262 5517 C CA 1.505 60.526 59.018 0.003 0.000 1.733 5517 C CB -1.037 26.705 27.740 0.004 0.000 2.010 5517 C HN 0.427 nan 8.230 nan 0.000 0.483 5518 T N 1.099 115.655 114.554 0.004 0.000 2.833 5518 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 5518 T C 1.566 176.268 174.700 0.003 0.000 1.054 5518 T CA 1.205 63.307 62.100 0.004 0.000 1.135 5518 T CB -0.212 68.659 68.868 0.004 0.000 0.869 5518 T HN 0.514 nan 8.240 nan 0.000 0.466 5519 I N 0.460 121.032 120.570 0.003 0.000 2.480 5519 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 5519 I C 2.518 178.636 176.117 0.002 0.000 1.124 5519 I CA 0.940 62.241 61.300 0.003 0.000 1.444 5519 I CB -0.211 37.791 38.000 0.003 0.000 1.098 5519 I HN 0.227 nan 8.210 nan 0.000 0.428 5520 E N 0.133 120.334 120.200 0.002 0.000 2.110 5520 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 5520 E C 0.533 177.134 176.600 0.002 0.000 0.988 5520 E CA 0.829 57.230 56.400 0.002 0.000 0.804 5520 E CB 0.166 29.867 29.700 0.002 0.000 0.745 5520 E HN 0.257 nan 8.360 nan 0.000 0.458 5521 D N -1.045 119.356 120.400 0.002 0.000 2.620 5521 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 5521 D C -0.195 176.106 176.300 0.003 0.000 1.207 5521 D CA -0.363 53.638 54.000 0.002 0.000 0.884 5521 D CB 1.596 42.398 40.800 0.002 0.000 1.262 5521 D HN 0.056 nan 8.370 nan 0.000 0.552 5522 G N 3.398 112.199 108.800 0.002 0.000 3.340 5522 G HA2 0.085 4.044 3.960 -0.001 0.000 0.240 5522 G HA3 0.085 4.044 3.960 -0.001 0.000 0.240 5522 G C 0.405 175.307 174.900 0.003 0.000 1.327 5522 G CA -0.140 44.961 45.100 0.003 0.000 1.170 5522 G HN 0.293 nan 8.290 nan 0.000 0.520 5523 R N -0.459 120.043 120.500 0.004 0.000 2.621 5523 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 5523 R C -0.761 175.543 176.300 0.006 0.000 0.969 5523 R CA -0.789 55.314 56.100 0.005 0.000 0.887 5523 R CB 2.044 32.347 30.300 0.005 0.000 1.180 5523 R HN 0.265 nan 8.270 nan 0.000 0.450 5524 I N -1.051 119.523 120.570 0.007 0.000 3.002 5524 I HA 0.775 4.944 4.170 -0.001 0.000 0.310 5524 I C -0.537 175.587 176.117 0.012 0.000 1.087 5524 I CA -1.188 60.118 61.300 0.009 0.000 1.017 5524 I CB 2.084 40.089 38.000 0.009 0.000 1.226 5524 I HN 0.359 nan 8.210 nan 0.000 0.443 5525 V N -0.141 119.782 119.914 0.015 0.000 2.962 5525 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 5525 V C 0.059 176.168 176.094 0.024 0.000 1.099 5525 V CA -0.467 61.846 62.300 0.021 0.000 0.971 5525 V CB 1.125 32.960 31.823 0.020 0.000 1.028 5525 V HN 1.139 nan 8.190 nan 0.000 0.430 5526 S N 2.182 117.901 115.700 0.033 0.000 2.562 5526 S HA 0.650 5.120 4.470 -0.001 0.000 0.281 5526 S C 0.589 175.209 174.600 0.033 0.000 1.333 5526 S CA 0.160 58.383 58.200 0.037 0.000 1.052 5526 S CB 0.868 64.099 63.200 0.052 0.000 0.884 5526 S HN 1.772 nan 8.310 nan 0.000 0.506 5527 G N 0.574 109.393 108.800 0.032 0.000 2.630 5527 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 5527 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 5527 G C 0.931 175.847 174.900 0.027 0.000 1.434 5527 G CA -0.541 44.575 45.100 0.027 0.000 1.057 5527 G HN 2.040 nan 8.290 nan 0.000 0.570 5528 G N -1.916 106.900 108.800 0.026 0.000 2.225 5528 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 5528 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 5528 G C 1.478 176.375 174.900 -0.006 0.000 1.024 5528 G CA 1.214 46.327 45.100 0.020 0.000 0.784 5528 G HN 2.457 nan 8.290 nan 0.000 0.507 5529 G N -1.402 107.386 108.800 -0.021 0.000 2.162 5529 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 5529 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 5529 G C 1.510 176.358 174.900 -0.086 0.000 0.976 5529 G CA 1.692 46.761 45.100 -0.053 0.000 0.655 5529 G HN 1.957 nan 8.290 nan 0.000 0.533 5530 S N 0.121 115.789 115.700 -0.053 0.000 2.370 5530 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 5530 S C 2.800 177.315 174.600 -0.142 0.000 1.033 5530 S CA 2.848 61.002 58.200 -0.076 0.000 1.011 5530 S CB -0.593 62.659 63.200 0.086 0.000 0.852 5530 S HN 1.399 nan 8.310 nan 0.000 0.457 5531 T N 0.024 114.545 114.554 -0.054 0.000 2.614 5531 T HA -0.095 4.254 4.350 -0.001 0.000 0.263 5531 T C 1.568 176.215 174.700 -0.089 0.000 1.055 5531 T CA 1.624 63.700 62.100 -0.041 0.000 1.162 5531 T CB -1.065 67.793 68.868 -0.017 0.000 0.863 5531 T HN 0.417 nan 8.240 nan 0.000 0.414 5532 E N 0.936 121.081 120.200 -0.092 0.000 2.187 5532 E HA -0.077 4.273 4.350 -0.001 0.000 0.199 5532 E C 2.240 178.759 176.600 -0.135 0.000 1.004 5532 E CA 0.970 57.309 56.400 -0.102 0.000 0.813 5532 E CB -0.705 28.936 29.700 -0.099 0.000 0.736 5532 E HN 0.436 nan 8.360 nan 0.000 0.468 5533 V N 0.434 120.215 119.914 -0.223 0.000 2.453 5533 V HA -0.200 3.920 4.120 -0.001 0.000 0.247 5533 V C 2.262 178.169 176.094 -0.311 0.000 1.048 5533 V CA 1.759 63.876 62.300 -0.304 0.000 1.049 5533 V CB -0.365 31.176 31.823 -0.471 0.000 0.672 5533 V HN 0.217 nan 8.190 nan 0.000 0.457 5534 E N 0.784 120.772 120.200 -0.354 0.000 2.077 5534 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 5534 E C 2.017 178.628 176.600 0.019 0.000 0.989 5534 E CA 1.571 57.971 56.400 0.000 0.000 0.800 5534 E CB -0.419 29.366 29.700 0.142 0.000 0.746 5534 E HN 0.553 nan 8.360 nan 0.000 0.452 5535 L N -0.010 121.203 121.223 -0.017 0.000 2.046 5535 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 5535 L C 2.665 179.554 176.870 0.031 0.000 1.077 5535 L CA 1.353 56.202 54.840 0.015 0.000 0.747 5535 L CB -0.669 41.394 42.059 0.007 0.000 0.896 5535 L HN 0.195 nan 8.230 nan 0.000 0.432 5536 S N -0.313 115.383 115.700 -0.006 0.000 2.356 5536 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 5536 S C 2.126 176.749 174.600 0.038 0.000 1.032 5536 S CA 1.258 59.463 58.200 0.008 0.000 1.005 5536 S CB -0.016 63.167 63.200 -0.027 0.000 0.867 5536 S HN 0.212 nan 8.310 nan 0.000 0.449 5537 M N 0.886 120.509 119.600 0.037 0.000 2.117 5537 M HA 0.033 4.513 4.480 -0.001 0.000 0.262 5537 M C 1.996 178.342 176.300 0.076 0.000 1.065 5537 M CA 1.465 56.803 55.300 0.064 0.000 1.114 5537 M CB -0.995 31.663 32.600 0.096 0.000 1.361 5537 M HN 0.239 nan 8.290 nan 0.000 0.408 5538 K N -0.009 120.438 120.400 0.079 0.000 2.211 5538 K HA 0.194 4.514 4.320 -0.001 0.000 0.201 5538 K C 2.066 178.736 176.600 0.117 0.000 1.052 5538 K CA 0.566 56.904 56.287 0.085 0.000 0.973 5538 K CB -0.222 32.316 32.500 0.064 0.000 0.766 5538 K HN 0.351 nan 8.250 nan 0.000 0.466 5539 L N 0.347 121.642 121.223 0.120 0.000 2.240 5539 L HA -0.010 4.329 4.340 -0.001 0.000 0.211 5539 L C 2.299 179.294 176.870 0.208 0.000 1.106 5539 L CA 0.748 55.702 54.840 0.189 0.000 0.793 5539 L CB -0.195 41.980 42.059 0.192 0.000 0.927 5539 L HN 0.076 nan 8.230 nan 0.000 0.446 5540 R N 0.037 120.621 120.500 0.140 0.000 2.148 5540 R HA -0.116 4.223 4.340 -0.001 0.000 0.223 5540 R C 1.977 178.334 176.300 0.095 0.000 1.088 5540 R CA 0.980 57.145 56.100 0.107 0.000 0.985 5540 R CB -0.052 30.293 30.300 0.075 0.000 0.880 5540 R HN 0.446 nan 8.270 nan 0.000 0.451 5541 E N -0.498 119.767 120.200 0.109 0.000 2.112 5541 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 5541 E C 1.437 178.107 176.600 0.116 0.000 0.979 5541 E CA 0.675 57.132 56.400 0.094 0.000 0.814 5541 E CB -0.052 29.702 29.700 0.090 0.000 0.762 5541 E HN 0.280 nan 8.360 nan 0.000 0.460 5542 Y N 1.595 121.911 120.300 0.027 0.000 2.224 5542 Y HA -0.208 4.342 4.550 -0.001 0.000 0.289 5542 Y C 2.180 178.091 175.900 0.019 0.000 1.146 5542 Y CA 1.258 59.370 58.100 0.020 0.000 1.182 5542 Y CB -0.384 38.087 38.460 0.017 0.000 0.983 5542 Y HN -0.013 nan 8.280 nan 0.000 0.524 5543 A N 0.242 123.066 122.820 0.007 0.000 1.940 5543 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 5543 A C 2.119 179.649 177.584 -0.090 0.000 1.176 5543 A CA 1.861 53.864 52.037 -0.055 0.000 0.631 5543 A CB -0.533 18.495 19.000 0.047 0.000 0.814 5543 A HN 0.523 nan 8.150 nan 0.000 0.446 5544 E N -0.498 119.672 120.200 -0.051 0.000 2.072 5544 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 5544 E C 2.186 178.740 176.600 -0.077 0.000 0.985 5544 E CA 1.171 57.545 56.400 -0.043 0.000 0.801 5544 E CB -0.696 28.998 29.700 -0.010 0.000 0.750 5544 E HN 0.590 nan 8.360 nan 0.000 0.452 5545 G N 1.302 110.032 108.800 -0.117 0.000 2.422 5545 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.218 5545 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.218 5545 G C 1.584 176.375 174.900 -0.182 0.000 1.140 5545 G CA 0.250 45.270 45.100 -0.135 0.000 0.775 5545 G HN 0.110 nan 8.290 nan 0.000 0.545 5546 I N 0.209 120.617 120.570 -0.270 0.000 2.233 5546 I HA 0.025 4.195 4.170 -0.001 0.000 0.243 5546 I C 1.677 177.717 176.117 -0.129 0.000 1.093 5546 I CA 1.029 62.183 61.300 -0.243 0.000 1.380 5546 I CB -1.118 36.696 38.000 -0.311 0.000 1.067 5546 I HN 0.301 nan 8.210 nan 0.000 0.413 5547 S N -1.116 114.523 115.700 -0.101 0.000 3.513 5547 S HA -0.106 4.363 4.470 -0.001 0.000 0.636 5547 S C 0.749 175.321 174.600 -0.046 0.000 2.452 5547 S CA 1.347 59.511 58.200 -0.059 0.000 2.644 5547 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 5547 S HN 1.422 nan 8.310 nan 0.000 1.787 5548 G N 1.121 109.903 108.800 -0.031 0.000 2.578 5548 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 5548 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 5548 G C 0.341 175.232 174.900 -0.014 0.000 1.271 5548 G CA 1.637 46.724 45.100 -0.022 0.000 0.941 5548 G HN 1.880 nan 8.290 nan 0.000 0.564 5549 R N 0.402 120.896 120.500 -0.009 0.000 2.236 5549 R HA 0.228 4.568 4.340 -0.001 0.000 0.208 5549 R C 2.003 178.302 176.300 -0.001 0.000 1.036 5549 R CA 1.644 57.745 56.100 0.000 0.000 1.001 5549 R CB -0.201 30.103 30.300 0.006 0.000 0.896 5549 R HN 0.665 nan 8.270 nan 0.000 0.464 5550 E N 1.570 121.762 120.200 -0.013 0.000 2.204 5550 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 5550 E C 1.810 178.405 176.600 -0.008 0.000 0.989 5550 E CA 1.435 57.825 56.400 -0.017 0.000 0.824 5550 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 5550 E HN 0.596 nan 8.360 nan 0.000 0.477 5551 Q N 0.686 120.476 119.800 -0.017 0.000 2.230 5551 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 5551 Q C 1.986 178.008 176.000 0.038 0.000 0.963 5551 Q CA 0.951 56.749 55.803 -0.009 0.000 0.866 5551 Q CB -0.307 28.416 28.738 -0.024 0.000 0.931 5551 Q HN 0.207 nan 8.270 nan 0.000 0.452 5552 L N 0.348 121.596 121.223 0.041 0.000 2.109 5552 L HA 0.177 4.517 4.340 -0.001 0.000 0.207 5552 L C 2.246 179.184 176.870 0.114 0.000 1.086 5552 L CA 1.798 56.677 54.840 0.065 0.000 0.760 5552 L CB -0.988 41.097 42.059 0.045 0.000 0.910 5552 L HN 0.302 nan 8.230 nan 0.000 0.437 5553 A N -1.153 121.732 122.820 0.107 0.000 1.898 5553 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 5553 A C 2.233 180.026 177.584 0.349 0.000 1.181 5553 A CA 1.944 54.087 52.037 0.177 0.000 0.620 5553 A CB -1.004 18.012 19.000 0.027 0.000 0.819 5553 A HN 0.266 nan 8.150 nan 0.000 0.442 5554 V N -0.177 119.873 119.914 0.228 0.000 2.358 5554 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 5554 V C 2.619 178.872 176.094 0.265 0.000 1.047 5554 V CA 2.151 64.604 62.300 0.254 0.000 1.035 5554 V CB -0.775 31.157 31.823 0.181 0.000 0.658 5554 V HN 0.620 nan 8.190 nan 0.000 0.452 5555 R N 0.082 120.692 120.500 0.184 0.000 2.096 5555 R HA -0.129 4.211 4.340 -0.001 0.000 0.235 5555 R C 2.257 178.644 176.300 0.144 0.000 1.127 5555 R CA 1.546 57.731 56.100 0.142 0.000 0.968 5555 R CB -0.345 30.011 30.300 0.093 0.000 0.861 5555 R HN 0.503 nan 8.270 nan 0.000 0.440 5556 A N 0.031 122.961 122.820 0.183 0.000 1.929 5556 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 5556 A C 1.895 179.549 177.584 0.117 0.000 1.176 5556 A CA 0.820 52.955 52.037 0.164 0.000 0.628 5556 A CB -0.634 18.505 19.000 0.231 0.000 0.816 5556 A HN 0.479 nan 8.150 nan 0.000 0.444 5557 F N 1.153 121.117 119.950 0.023 0.000 2.095 5557 F HA -0.152 4.374 4.527 -0.001 0.000 0.298 5557 F C 2.528 178.259 175.800 -0.116 0.000 1.104 5557 F CA 1.492 59.375 58.000 -0.195 0.000 1.232 5557 F CB -0.363 38.572 39.000 -0.109 0.000 0.987 5557 F HN 0.249 nan 8.300 nan 0.000 0.475 5558 A N -0.435 122.470 122.820 0.142 0.000 1.902 5558 A HA -0.241 4.078 4.320 -0.001 0.000 0.217 5558 A C 1.982 179.533 177.584 -0.056 0.000 1.181 5558 A CA 1.952 54.017 52.037 0.046 0.000 0.623 5558 A CB -1.176 17.895 19.000 0.118 0.000 0.818 5558 A HN 0.498 nan 8.150 nan 0.000 0.443 5559 D N 0.019 120.399 120.400 -0.032 0.000 2.123 5559 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 5559 D C 2.044 178.280 176.300 -0.107 0.000 0.992 5559 D CA 1.620 55.591 54.000 -0.049 0.000 0.833 5559 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 5559 D HN 0.334 nan 8.370 nan 0.000 0.455 5560 A N -0.116 122.597 122.820 -0.179 0.000 1.898 5560 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 5560 A C 2.146 179.573 177.584 -0.263 0.000 1.181 5560 A CA 0.903 52.798 52.037 -0.237 0.000 0.620 5560 A CB -0.672 18.119 19.000 -0.349 0.000 0.819 5560 A HN 0.300 nan 8.150 nan 0.000 0.442 5561 L N 0.219 121.244 121.223 -0.330 0.000 2.191 5561 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 5561 L C 2.141 178.911 176.870 -0.166 0.000 1.103 5561 L CA 1.724 56.400 54.840 -0.275 0.000 0.769 5561 L CB -0.801 41.085 42.059 -0.290 0.000 0.908 5561 L HN 0.482 nan 8.230 nan 0.000 0.438 5562 E N -1.374 118.745 120.200 -0.135 0.000 2.333 5562 E HA -0.180 4.170 4.350 -0.001 0.000 0.198 5562 E C 2.263 178.809 176.600 -0.090 0.000 1.007 5562 E CA 0.731 57.072 56.400 -0.098 0.000 0.845 5562 E CB -0.159 29.497 29.700 -0.074 0.000 0.766 5562 E HN 0.291 nan 8.360 nan 0.000 0.507 5563 V N 1.134 120.987 119.914 -0.101 0.000 2.720 5563 V HA -0.213 3.907 4.120 -0.001 0.000 0.256 5563 V C 1.718 177.765 176.094 -0.078 0.000 1.082 5563 V CA 1.090 63.339 62.300 -0.085 0.000 1.101 5563 V CB -0.206 31.562 31.823 -0.092 0.000 0.693 5563 V HN 0.258 nan 8.190 nan 0.000 0.479 5564 I N 0.601 121.120 120.570 -0.086 0.000 2.162 5564 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 5564 I C 0.222 176.300 176.117 -0.065 0.000 1.076 5564 I CA 1.468 62.723 61.300 -0.074 0.000 1.353 5564 I CB -2.841 35.112 38.000 -0.078 0.000 1.063 5564 I HN 0.311 nan 8.210 nan 0.000 0.408 5565 P HA -0.171 nan 4.420 nan 0.000 0.216 5565 P C 1.798 179.066 177.300 -0.053 0.000 1.154 5565 P CA 1.756 64.820 63.100 -0.060 0.000 0.865 5565 P CB -0.160 31.500 31.700 -0.068 0.000 0.789 5566 R N -1.466 119.001 120.500 -0.054 0.000 2.075 5566 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 5566 R C 2.034 178.305 176.300 -0.048 0.000 1.126 5566 R CA 1.720 57.791 56.100 -0.048 0.000 0.963 5566 R CB -1.005 29.266 30.300 -0.048 0.000 0.858 5566 R HN 0.200 nan 8.270 nan 0.000 0.435 5567 T N 1.082 115.605 114.554 -0.052 0.000 3.051 5567 T HA 0.131 4.481 4.350 -0.001 0.000 0.255 5567 T C 1.808 176.474 174.700 -0.055 0.000 1.085 5567 T CA 0.139 62.208 62.100 -0.052 0.000 1.109 5567 T CB 0.142 68.979 68.868 -0.052 0.000 0.921 5567 T HN 0.063 nan 8.240 nan 0.000 0.488 5568 L N 0.955 122.143 121.223 -0.057 0.000 2.043 5568 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 5568 L C 2.824 179.649 176.870 -0.074 0.000 1.075 5568 L CA 1.643 56.445 54.840 -0.064 0.000 0.752 5568 L CB -0.444 41.582 42.059 -0.056 0.000 0.891 5568 L HN 0.258 nan 8.230 nan 0.000 0.432 5569 A N -1.255 121.527 122.820 -0.063 0.000 2.030 5569 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 5569 A C 2.186 179.735 177.584 -0.058 0.000 1.164 5569 A CA 0.704 52.703 52.037 -0.063 0.000 0.697 5569 A CB -0.261 18.710 19.000 -0.049 0.000 0.827 5569 A HN 0.417 nan 8.150 nan 0.000 0.457 5570 E N 0.628 120.797 120.200 -0.051 0.000 2.070 5570 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 5570 E C 1.373 177.943 176.600 -0.050 0.000 1.004 5570 E CA 1.624 57.997 56.400 -0.046 0.000 0.805 5570 E CB -0.130 29.545 29.700 -0.042 0.000 0.744 5570 E HN 0.540 nan 8.360 nan 0.000 0.451 5571 N N -0.037 118.628 118.700 -0.058 0.000 2.396 5571 N HA -0.073 4.667 4.740 -0.001 0.000 0.180 5571 N C 1.362 176.828 175.510 -0.074 0.000 1.028 5571 N CA 1.021 54.034 53.050 -0.061 0.000 0.893 5571 N CB -0.144 38.304 38.487 -0.064 0.000 0.967 5571 N HN 0.227 nan 8.380 nan 0.000 0.440 5572 A N 0.064 122.831 122.820 -0.088 0.000 2.119 5572 A HA 0.298 4.618 4.320 -0.001 0.000 0.216 5572 A C 1.467 179.009 177.584 -0.069 0.000 1.152 5572 A CA 1.055 53.031 52.037 -0.101 0.000 0.708 5572 A CB -0.385 18.539 19.000 -0.127 0.000 0.805 5572 A HN 0.306 nan 8.150 nan 0.000 0.460 5573 G N -1.333 107.435 108.800 -0.054 0.000 2.142 5573 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 5573 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 5573 G C -0.050 174.829 174.900 -0.034 0.000 1.015 5573 G CA 0.279 45.355 45.100 -0.039 0.000 0.716 5573 G HN 0.438 nan 8.290 nan 0.000 0.508 5574 L N -0.148 121.052 121.223 -0.038 0.000 2.387 5574 L HA 0.547 4.887 4.340 -0.001 0.000 0.266 5574 L C 0.358 177.212 176.870 -0.026 0.000 1.059 5574 L CA -1.096 53.726 54.840 -0.031 0.000 0.801 5574 L CB 0.912 42.950 42.059 -0.035 0.000 1.223 5574 L HN 0.099 nan 8.230 nan 0.000 0.456 5575 D N 0.723 121.111 120.400 -0.020 0.000 2.338 5575 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 5575 D C 0.740 177.029 176.300 -0.019 0.000 1.237 5575 D CA -0.007 53.983 54.000 -0.017 0.000 0.883 5575 D CB 1.849 42.642 40.800 -0.012 0.000 1.087 5575 D HN 0.588 nan 8.370 nan 0.000 0.485 5576 A N 5.216 128.023 122.820 -0.021 0.000 1.978 5576 A HA -0.179 4.140 4.320 -0.001 0.000 0.220 5576 A C 2.064 179.637 177.584 -0.018 0.000 1.170 5576 A CA 0.891 52.914 52.037 -0.023 0.000 0.636 5576 A CB -0.328 18.657 19.000 -0.025 0.000 0.810 5576 A HN 0.700 nan 8.150 nan 0.000 0.448 5577 I N -0.535 120.027 120.570 -0.014 0.000 2.235 5577 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 5577 I C 2.434 178.546 176.117 -0.008 0.000 1.085 5577 I CA 1.680 62.973 61.300 -0.011 0.000 1.378 5577 I CB -1.463 36.531 38.000 -0.008 0.000 1.076 5577 I HN 0.572 nan 8.210 nan 0.000 0.415 5578 E N 1.557 121.752 120.200 -0.007 0.000 2.051 5578 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 5578 E C 2.336 178.934 176.600 -0.003 0.000 0.991 5578 E CA 1.638 58.036 56.400 -0.004 0.000 0.799 5578 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 5578 E HN 0.591 nan 8.360 nan 0.000 0.449 5579 I N -0.892 119.674 120.570 -0.007 0.000 2.439 5579 I HA -0.128 4.041 4.170 -0.001 0.000 0.251 5579 I C 2.388 178.501 176.117 -0.007 0.000 1.139 5579 I CA 0.590 61.886 61.300 -0.006 0.000 1.438 5579 I CB -0.271 37.721 38.000 -0.013 0.000 1.085 5579 I HN 0.120 nan 8.210 nan 0.000 0.427 5580 L N 1.233 122.449 121.223 -0.011 0.000 2.046 5580 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 5580 L C 2.343 179.211 176.870 -0.004 0.000 1.077 5580 L CA 1.773 56.606 54.840 -0.012 0.000 0.747 5580 L CB -0.479 41.571 42.059 -0.015 0.000 0.896 5580 L HN 0.119 nan 8.230 nan 0.000 0.432 5581 V N -0.521 119.393 119.914 0.000 0.000 2.302 5581 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 5581 V C 2.521 178.622 176.094 0.012 0.000 1.036 5581 V CA 1.887 64.191 62.300 0.006 0.000 1.020 5581 V CB -0.569 31.257 31.823 0.005 0.000 0.657 5581 V HN 0.402 nan 8.190 nan 0.000 0.453 5582 K N -0.257 120.150 120.400 0.011 0.000 2.103 5582 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 5582 K C 2.046 178.660 176.600 0.025 0.000 1.052 5582 K CA 1.104 57.400 56.287 0.016 0.000 0.945 5582 K CB -0.223 32.284 32.500 0.012 0.000 0.722 5582 K HN 0.300 nan 8.250 nan 0.000 0.443 5583 V N 1.307 121.234 119.914 0.022 0.000 2.379 5583 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 5583 V C 2.381 178.508 176.094 0.054 0.000 1.044 5583 V CA 1.432 63.752 62.300 0.034 0.000 1.036 5583 V CB -0.445 31.387 31.823 0.015 0.000 0.664 5583 V HN 0.296 nan 8.190 nan 0.000 0.453 5584 R N 0.545 121.065 120.500 0.034 0.000 2.083 5584 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 5584 R C 2.266 178.612 176.300 0.077 0.000 1.137 5584 R CA 1.971 58.098 56.100 0.046 0.000 0.951 5584 R CB -0.472 29.841 30.300 0.021 0.000 0.851 5584 R HN 0.474 nan 8.270 nan 0.000 0.434 5585 A N 0.538 123.389 122.820 0.052 0.000 1.898 5585 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 5585 A C 2.361 179.974 177.584 0.048 0.000 1.181 5585 A CA 1.577 53.640 52.037 0.044 0.000 0.620 5585 A CB -0.743 18.274 19.000 0.028 0.000 0.819 5585 A HN 0.562 nan 8.150 nan 0.000 0.442 5586 A N -0.940 121.912 122.820 0.053 0.000 1.902 5586 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 5586 A C 2.025 179.642 177.584 0.055 0.000 1.181 5586 A CA 2.114 54.179 52.037 0.047 0.000 0.623 5586 A CB -0.852 18.177 19.000 0.048 0.000 0.818 5586 A HN 0.780 nan 8.150 nan 0.000 0.443 5587 H N -0.265 118.808 119.070 0.006 0.000 2.299 5587 H HA 0.090 4.646 4.556 -0.000 0.000 0.302 5587 H C 2.210 177.543 175.328 0.007 0.000 1.078 5587 H CA 1.988 58.040 56.048 0.006 0.000 1.323 5587 H CB -0.263 29.503 29.762 0.005 0.000 1.381 5587 H HN 0.371 nan 8.280 nan 0.000 0.498 5588 A N -0.596 122.277 122.820 0.088 0.000 1.940 5588 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 5588 A C 2.578 180.145 177.584 -0.028 0.000 1.176 5588 A CA 2.079 54.139 52.037 0.038 0.000 0.631 5588 A CB -1.061 17.985 19.000 0.076 0.000 0.814 5588 A HN 0.521 nan 8.150 nan 0.000 0.446 5589 S N -0.618 115.069 115.700 -0.021 0.000 2.371 5589 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 5589 S C 1.834 176.406 174.600 -0.046 0.000 1.040 5589 S CA 1.036 59.222 58.200 -0.023 0.000 0.958 5589 S CB -0.379 62.818 63.200 -0.006 0.000 0.860 5589 S HN 0.602 nan 8.310 nan 0.000 0.487 5590 N N 1.055 119.722 118.700 -0.055 0.000 2.409 5590 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 5590 N C 1.053 176.505 175.510 -0.097 0.000 1.032 5590 N CA 0.976 53.991 53.050 -0.058 0.000 0.898 5590 N CB 0.159 38.625 38.487 -0.034 0.000 0.971 5590 N HN 0.609 nan 8.380 nan 0.000 0.441 5591 G N 0.602 109.289 108.800 -0.189 0.000 2.342 5591 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 5591 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 5591 G C 0.149 174.798 174.900 -0.418 0.000 1.243 5591 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 5591 G HN 0.271 nan 8.290 nan 0.000 0.500 5592 N N 0.138 118.700 118.700 -0.231 0.000 2.436 5592 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 5592 N C 1.621 177.148 175.510 0.028 0.000 1.026 5592 N CA 1.425 54.433 53.050 -0.070 0.000 0.880 5592 N CB -0.138 38.365 38.487 0.027 0.000 1.061 5592 N HN 0.837 nan 8.380 nan 0.000 0.434 5593 K N -0.222 120.176 120.400 -0.003 0.000 2.387 5593 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 5593 K C -0.153 176.450 176.600 0.005 0.000 1.022 5593 K CA -0.159 56.135 56.287 0.012 0.000 1.128 5593 K CB 0.039 32.542 32.500 0.005 0.000 0.853 5593 K HN 0.034 nan 8.250 nan 0.000 0.523 5594 C N 1.214 120.509 119.300 -0.008 0.000 2.955 5594 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 5594 C C 0.381 175.373 174.990 0.003 0.000 1.842 5594 C CA -0.488 58.525 59.018 -0.008 0.000 1.539 5594 C CB -0.682 27.041 27.740 -0.027 0.000 2.869 5594 C HN 0.654 nan 8.230 nan 0.000 0.503 5595 A N 0.042 122.886 122.820 0.039 0.000 5.810 5595 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 5595 A C 0.148 177.779 177.584 0.079 0.000 0.903 5595 A CA 0.405 52.483 52.037 0.070 0.000 1.207 5595 A CB -0.378 18.683 19.000 0.102 0.000 2.339 5595 A HN 1.964 nan 8.150 nan 0.000 1.102 5596 G N -1.856 107.006 108.800 0.103 0.000 2.787 5596 G HA2 0.367 4.327 3.960 -0.001 0.000 0.685 5596 G HA3 0.367 4.327 3.960 -0.001 0.000 0.685 5596 G C -0.756 174.172 174.900 0.047 0.000 1.437 5596 G CA -0.011 45.129 45.100 0.066 0.000 0.872 5596 G HN 2.037 nan 8.290 nan 0.000 0.566 5597 L N 0.697 121.938 121.223 0.030 0.000 2.275 5597 L HA 0.743 5.082 4.340 -0.001 0.000 0.288 5597 L C 0.199 177.092 176.870 0.037 0.000 1.046 5597 L CA -0.997 53.858 54.840 0.024 0.000 0.805 5597 L CB 1.537 43.598 42.059 0.003 0.000 1.193 5597 L HN 0.747 nan 8.230 nan 0.000 0.426 5598 N N 3.002 121.733 118.700 0.051 0.000 2.501 5598 N HA 0.222 4.961 4.740 -0.001 0.000 0.245 5598 N C 0.808 176.356 175.510 0.064 0.000 0.974 5598 N CA -0.271 52.836 53.050 0.094 0.000 0.941 5598 N CB 1.198 39.755 38.487 0.117 0.000 1.122 5598 N HN 0.510 nan 8.380 nan 0.000 0.507 5599 V N 1.622 121.536 119.914 0.001 0.000 2.913 5599 V HA -0.012 4.108 4.120 -0.001 0.000 0.260 5599 V C 1.404 177.406 176.094 -0.154 0.000 1.098 5599 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 5599 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 5599 V HN 0.473 nan 8.190 nan 0.000 0.487 5600 F N 2.526 122.474 119.950 -0.003 0.000 2.259 5600 F HA -0.042 4.484 4.527 -0.000 0.000 0.298 5600 F C 2.676 178.475 175.800 -0.001 0.000 1.088 5600 F CA 1.853 59.851 58.000 -0.002 0.000 1.358 5600 F CB -0.369 38.630 39.000 -0.001 0.000 1.040 5600 F HN 0.380 nan 8.300 nan 0.000 0.505 5601 T N -4.036 110.620 114.554 0.171 0.000 3.022 5601 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 5601 T C 1.547 176.276 174.700 0.049 0.000 1.060 5601 T CA 0.422 62.578 62.100 0.093 0.000 1.013 5601 T CB 0.267 69.181 68.868 0.077 0.000 0.982 5601 T HN 0.356 nan 8.240 nan 0.000 0.508 5602 G N 1.084 109.904 108.800 0.033 0.000 2.225 5602 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 5602 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 5602 G C 0.099 175.006 174.900 0.010 0.000 1.060 5602 G CA -0.181 44.922 45.100 0.006 0.000 0.833 5602 G HN 1.435 nan 8.290 nan 0.000 0.498 5603 A N -1.841 120.991 122.820 0.021 0.000 2.608 5603 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 5603 A C 0.032 177.632 177.584 0.027 0.000 1.066 5603 A CA 0.149 52.198 52.037 0.020 0.000 0.676 5603 A CB 1.349 20.362 19.000 0.022 0.000 1.277 5603 A HN 1.779 nan 8.150 nan 0.000 0.413 5604 V N 1.616 121.544 119.914 0.024 0.000 2.673 5604 V HA 0.394 4.514 4.120 -0.001 0.000 0.303 5604 V C 0.010 176.124 176.094 0.032 0.000 1.046 5604 V CA 0.965 63.283 62.300 0.029 0.000 1.126 5604 V CB 0.479 32.319 31.823 0.029 0.000 0.934 5604 V HN 0.917 nan 8.190 nan 0.000 0.487 5605 E N 3.804 124.027 120.200 0.038 0.000 2.359 5605 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 5605 E C -1.405 175.215 176.600 0.034 0.000 0.877 5605 E CA -0.679 55.742 56.400 0.035 0.000 0.887 5605 E CB 0.725 30.450 29.700 0.041 0.000 1.890 5605 E HN 0.704 nan 8.360 nan 0.000 0.419 5606 D N 1.262 121.679 120.400 0.028 0.000 2.472 5606 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 5606 D C 0.840 177.156 176.300 0.027 0.000 1.088 5606 D CA -0.279 53.736 54.000 0.025 0.000 0.882 5606 D CB 0.646 41.455 40.800 0.015 0.000 1.037 5606 D HN 0.188 nan 8.370 nan 0.000 0.520 5607 M N 1.660 121.281 119.600 0.036 0.000 2.159 5607 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 5607 M C 2.321 178.637 176.300 0.025 0.000 1.063 5607 M CA 0.784 56.106 55.300 0.037 0.000 1.110 5607 M CB -1.143 31.484 32.600 0.045 0.000 1.374 5607 M HN 0.530 nan 8.290 nan 0.000 0.411 5608 C N 0.642 119.956 119.300 0.022 0.000 2.432 5608 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 5608 C C 2.705 177.700 174.990 0.007 0.000 1.249 5608 C CA 1.411 60.437 59.018 0.014 0.000 1.725 5608 C CB -0.922 26.826 27.740 0.014 0.000 2.028 5608 C HN 0.636 nan 8.230 nan 0.000 0.477 5609 E N 0.028 120.232 120.200 0.007 0.000 2.110 5609 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 5609 E C 1.377 177.975 176.600 -0.003 0.000 0.988 5609 E CA 1.165 57.566 56.400 0.001 0.000 0.804 5609 E CB -0.182 29.519 29.700 0.002 0.000 0.745 5609 E HN 0.655 nan 8.360 nan 0.000 0.458 5610 N N -0.372 118.327 118.700 -0.001 0.000 2.398 5610 N HA 0.004 4.744 4.740 -0.001 0.000 0.188 5610 N C 0.758 176.256 175.510 -0.019 0.000 1.122 5610 N CA 0.905 53.948 53.050 -0.012 0.000 0.866 5610 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 5610 N HN 0.332 nan 8.380 nan 0.000 0.462 5611 G N 0.470 109.265 108.800 -0.009 0.000 2.153 5611 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 5611 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 5611 G C 0.049 174.947 174.900 -0.002 0.000 0.994 5611 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 5611 G HN 0.205 nan 8.290 nan 0.000 0.521 5612 V N 1.492 121.412 119.914 0.010 0.000 2.222 5612 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 5612 V C 0.767 176.878 176.094 0.029 0.000 1.210 5612 V CA 0.161 62.478 62.300 0.028 0.000 1.079 5612 V CB 0.412 32.266 31.823 0.052 0.000 1.265 5612 V HN 1.065 nan 8.190 nan 0.000 0.494 5613 V N 1.481 121.408 119.914 0.021 0.000 3.007 5613 V HA 0.894 5.014 4.120 -0.001 0.000 0.311 5613 V C -0.716 175.389 176.094 0.017 0.000 1.120 5613 V CA -0.759 61.553 62.300 0.019 0.000 0.980 5613 V CB 2.560 34.392 31.823 0.015 0.000 1.033 5613 V HN 0.636 nan 8.190 nan 0.000 0.429 5614 E N 1.911 122.120 120.200 0.016 0.000 2.369 5614 E HA 0.659 5.009 4.350 -0.001 0.000 0.270 5614 E C -3.241 173.365 176.600 0.010 0.000 0.909 5614 E CA -2.406 54.002 56.400 0.013 0.000 0.775 5614 E CB 2.152 31.859 29.700 0.012 0.000 1.270 5614 E HN 0.467 nan 8.360 nan 0.000 0.445 5615 P HA -0.008 nan 4.420 nan 0.000 0.268 5615 P C 0.865 178.169 177.300 0.006 0.000 1.205 5615 P CA -0.349 62.755 63.100 0.007 0.000 0.771 5615 P CB 0.478 32.181 31.700 0.006 0.000 0.858 5616 L N 4.534 125.761 121.223 0.006 0.000 2.042 5616 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 5616 L C 2.200 179.073 176.870 0.005 0.000 1.076 5616 L CA 1.895 56.738 54.840 0.006 0.000 0.749 5616 L CB -0.698 41.364 42.059 0.006 0.000 0.893 5616 L HN 0.273 nan 8.230 nan 0.000 0.432 5617 R N -1.197 119.305 120.500 0.004 0.000 2.117 5617 R HA -0.164 4.175 4.340 -0.001 0.000 0.243 5617 R C 2.117 178.419 176.300 0.003 0.000 1.143 5617 R CA 1.616 57.718 56.100 0.004 0.000 0.968 5617 R CB -0.726 29.576 30.300 0.003 0.000 0.863 5617 R HN 0.346 nan 8.270 nan 0.000 0.444 5618 V N 1.325 121.241 119.914 0.003 0.000 2.261 5618 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 5618 V C 2.225 178.319 176.094 0.000 0.000 1.047 5618 V CA 1.686 63.987 62.300 0.002 0.000 1.015 5618 V CB -0.299 31.525 31.823 0.002 0.000 0.642 5618 V HN 0.217 nan 8.190 nan 0.000 0.446 5619 K N -0.345 120.055 120.400 0.000 0.000 2.167 5619 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 5619 K C 2.174 178.775 176.600 0.001 0.000 1.052 5619 K CA 1.262 57.547 56.287 -0.003 0.000 0.956 5619 K CB -0.559 31.939 32.500 -0.003 0.000 0.735 5619 K HN 0.481 nan 8.250 nan 0.000 0.451 5620 T N 1.254 115.811 114.554 0.004 0.000 2.812 5620 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 5620 T C 1.900 176.606 174.700 0.010 0.000 1.042 5620 T CA 1.210 63.315 62.100 0.007 0.000 1.140 5620 T CB -0.004 68.867 68.868 0.005 0.000 0.870 5620 T HN 0.129 nan 8.240 nan 0.000 0.445 5621 Q N 1.255 121.059 119.800 0.007 0.000 2.123 5621 Q HA 0.159 4.498 4.340 -0.001 0.000 0.199 5621 Q C 2.269 178.274 176.000 0.009 0.000 0.966 5621 Q CA 1.502 57.310 55.803 0.008 0.000 0.845 5621 Q CB -0.619 28.122 28.738 0.006 0.000 0.907 5621 Q HN 0.476 nan 8.270 nan 0.000 0.439 5622 A N 0.508 123.330 122.820 0.003 0.000 1.858 5622 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 5622 A C 1.934 179.518 177.584 -0.000 0.000 1.190 5622 A CA 1.616 53.651 52.037 -0.003 0.000 0.617 5622 A CB -0.713 18.280 19.000 -0.011 0.000 0.827 5622 A HN 0.444 nan 8.150 nan 0.000 0.443 5623 I N -0.120 120.454 120.570 0.008 0.000 2.252 5623 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 5623 I C 2.649 178.807 176.117 0.068 0.000 1.102 5623 I CA 1.771 63.089 61.300 0.030 0.000 1.385 5623 I CB -1.482 36.548 38.000 0.050 0.000 1.064 5623 I HN 0.595 nan 8.210 nan 0.000 0.414 5624 Q N 0.879 120.710 119.800 0.051 0.000 2.002 5624 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 5624 Q C 2.385 178.414 176.000 0.048 0.000 0.988 5624 Q CA 2.724 58.557 55.803 0.049 0.000 0.843 5624 Q CB 0.091 28.846 28.738 0.027 0.000 0.908 5624 Q HN 0.360 nan 8.270 nan 0.000 0.420 5625 S N 0.287 116.006 115.700 0.032 0.000 2.368 5625 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 5625 S C 1.938 176.557 174.600 0.032 0.000 1.029 5625 S CA 0.884 59.100 58.200 0.028 0.000 0.988 5625 S CB -0.340 62.870 63.200 0.017 0.000 0.838 5625 S HN 0.571 nan 8.310 nan 0.000 0.462 5626 A N 1.673 124.508 122.820 0.025 0.000 1.877 5626 A HA 0.077 4.397 4.320 -0.001 0.000 0.216 5626 A C 2.359 179.968 177.584 0.041 0.000 1.186 5626 A CA 1.757 53.802 52.037 0.013 0.000 0.620 5626 A CB -1.128 17.861 19.000 -0.018 0.000 0.822 5626 A HN 0.516 nan 8.150 nan 0.000 0.443 5627 A N -0.589 122.284 122.820 0.089 0.000 1.933 5627 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 5627 A C 1.976 179.652 177.584 0.153 0.000 1.175 5627 A CA 2.111 54.258 52.037 0.183 0.000 0.628 5627 A CB -0.419 18.774 19.000 0.323 0.000 0.814 5627 A HN 0.543 nan 8.150 nan 0.000 0.444 5628 E N -0.154 120.106 120.200 0.101 0.000 2.072 5628 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 5628 E C 2.221 178.863 176.600 0.070 0.000 0.982 5628 E CA 1.447 57.894 56.400 0.079 0.000 0.803 5628 E CB -0.341 29.391 29.700 0.053 0.000 0.755 5628 E HN 0.461 nan 8.360 nan 0.000 0.453 5629 S N -1.277 114.457 115.700 0.057 0.000 2.383 5629 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 5629 S C 1.885 176.517 174.600 0.054 0.000 1.026 5629 S CA 1.658 59.884 58.200 0.044 0.000 0.981 5629 S CB -0.543 62.675 63.200 0.029 0.000 0.818 5629 S HN 0.407 nan 8.310 nan 0.000 0.472 5630 T N 1.731 116.327 114.554 0.071 0.000 2.652 5630 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 5630 T C 1.761 176.541 174.700 0.133 0.000 1.039 5630 T CA 1.649 63.806 62.100 0.094 0.000 1.153 5630 T CB -0.480 68.452 68.868 0.107 0.000 0.863 5630 T HN 0.587 nan 8.240 nan 0.000 0.428 5631 E N 0.582 120.882 120.200 0.166 0.000 2.085 5631 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 5631 E C 2.253 178.899 176.600 0.077 0.000 0.994 5631 E CA 1.066 57.551 56.400 0.142 0.000 0.801 5631 E CB -0.234 29.551 29.700 0.141 0.000 0.743 5631 E HN 0.459 nan 8.360 nan 0.000 0.453 5632 M N 0.241 119.879 119.600 0.064 0.000 2.082 5632 M HA -0.243 4.237 4.480 -0.001 0.000 0.258 5632 M C 1.952 178.273 176.300 0.035 0.000 1.069 5632 M CA 1.425 56.750 55.300 0.043 0.000 1.102 5632 M CB -0.051 32.572 32.600 0.037 0.000 1.336 5632 M HN 0.178 nan 8.290 nan 0.000 0.404 5633 L N 0.392 121.637 121.223 0.036 0.000 2.083 5633 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 5633 L C 2.144 179.025 176.870 0.019 0.000 1.083 5633 L CA 1.657 56.510 54.840 0.022 0.000 0.752 5633 L CB -0.920 41.149 42.059 0.017 0.000 0.899 5633 L HN 0.402 nan 8.230 nan 0.000 0.433 5634 L N -1.584 119.660 121.223 0.034 0.000 2.395 5634 L HA -0.100 4.240 4.340 -0.001 0.000 0.218 5634 L C 2.490 179.365 176.870 0.008 0.000 1.130 5634 L CA 0.432 55.284 54.840 0.019 0.000 0.826 5634 L CB -0.362 41.713 42.059 0.028 0.000 0.941 5634 L HN 0.206 nan 8.230 nan 0.000 0.451 5635 R N 0.014 120.525 120.500 0.018 0.000 2.115 5635 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 5635 R C 0.274 176.583 176.300 0.016 0.000 1.111 5635 R CA 0.618 56.729 56.100 0.017 0.000 0.976 5635 R CB -0.150 30.164 30.300 0.023 0.000 0.870 5635 R HN 0.140 nan 8.270 nan 0.000 0.445 5636 I N 2.164 122.743 120.570 0.015 0.000 2.496 5636 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 5636 I C 0.656 176.782 176.117 0.015 0.000 1.080 5636 I CA 0.240 61.551 61.300 0.018 0.000 1.404 5636 I CB 1.158 39.169 38.000 0.019 0.000 1.403 5636 I HN 0.140 nan 8.210 nan 0.000 0.539 5637 D N 2.270 122.682 120.400 0.020 0.000 2.469 5637 D HA 0.176 4.815 4.640 -0.001 0.000 0.213 5637 D C -0.312 176.009 176.300 0.035 0.000 1.135 5637 D CA -0.007 54.005 54.000 0.019 0.000 0.834 5637 D CB 0.319 41.127 40.800 0.013 0.000 1.009 5637 D HN 0.358 nan 8.370 nan 0.000 0.507 5638 D N -0.284 120.143 120.400 0.044 0.000 2.812 5638 D HA 0.218 4.858 4.640 -0.001 0.000 0.210 5638 D C -1.672 174.666 176.300 0.064 0.000 1.260 5638 D CA -0.513 53.521 54.000 0.056 0.000 0.817 5638 D CB 2.194 43.018 40.800 0.040 0.000 1.694 5638 D HN -0.183 nan 8.370 nan 0.000 0.530 5639 V N 4.069 124.039 119.914 0.094 0.000 2.384 5639 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 5639 V C 0.043 176.185 176.094 0.079 0.000 1.020 5639 V CA -0.588 61.772 62.300 0.100 0.000 0.850 5639 V CB 1.216 33.139 31.823 0.166 0.000 0.987 5639 V HN 0.415 nan 8.190 nan 0.000 0.436 5640 I N 4.510 125.113 120.570 0.056 0.000 2.355 5640 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 5640 I C 0.431 176.571 176.117 0.038 0.000 0.999 5640 I CA -0.107 61.217 61.300 0.040 0.000 1.163 5640 I CB 1.747 39.764 38.000 0.028 0.000 1.316 5640 I HN 0.652 nan 8.210 nan 0.000 0.454 5641 A N 5.115 127.956 122.820 0.035 0.000 2.276 5641 A HA 0.884 5.203 4.320 -0.001 0.000 0.316 5641 A C 0.168 177.763 177.584 0.018 0.000 1.229 5641 A CA -0.568 51.486 52.037 0.029 0.000 0.851 5641 A CB 0.693 19.713 19.000 0.034 0.000 1.165 5641 A HN 0.780 nan 8.150 nan 0.000 0.513 5642 A N 1.973 124.802 122.820 0.015 0.000 2.371 5642 A HA 0.474 4.794 4.320 -0.001 0.000 0.257 5642 A C 0.594 178.182 177.584 0.008 0.000 1.089 5642 A CA -0.156 51.888 52.037 0.010 0.000 0.794 5642 A CB 0.086 19.092 19.000 0.010 0.000 1.029 5642 A HN 0.951 nan 8.150 nan 0.000 0.488 5643 E N 0.000 120.203 120.200 0.005 0.000 2.725 5643 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 5643 E CA 0.000 56.402 56.400 0.003 0.000 0.976 5643 E CB 0.000 29.701 29.700 0.002 0.000 0.812 5643 E HN 0.000 nan 8.360 nan 0.000 0.440