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 3izm_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 TNIKDLSAQD 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 0.000 176.084 176.094 -0.017 0.000 1.182 5131 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 5131 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 5132 L N 2.408 123.618 121.223 -0.021 0.000 2.325 5132 L HA 0.620 4.960 4.340 0.000 0.000 0.278 5132 L C -2.351 174.504 176.870 -0.025 0.000 1.023 5132 L CA -1.585 53.239 54.840 -0.026 0.000 0.811 5132 L CB 1.049 43.087 42.059 -0.035 0.000 1.249 5132 L HN 0.158 nan 8.230 nan 0.000 0.431 5133 P HA 0.046 nan 4.420 nan 0.000 0.265 5133 P C -0.583 176.703 177.300 -0.024 0.000 1.193 5133 P CA -0.300 62.787 63.100 -0.021 0.000 0.765 5133 P CB 0.492 32.181 31.700 -0.019 0.000 0.823 5134 E N 2.922 123.110 120.200 -0.020 0.000 2.376 5134 E HA 0.040 4.390 4.350 0.000 0.000 0.266 5134 E C 0.506 177.094 176.600 -0.020 0.000 1.009 5134 E CA 0.621 57.008 56.400 -0.021 0.000 0.902 5134 E CB -0.140 29.551 29.700 -0.015 0.000 0.972 5134 E HN 0.395 nan 8.360 nan 0.000 0.439 5135 N N 1.954 120.639 118.700 -0.025 0.000 2.990 5135 N HA -0.199 4.541 4.740 0.000 0.000 0.163 5135 N C -0.159 175.330 175.510 -0.034 0.000 1.452 5135 N CA 0.653 53.690 53.050 -0.022 0.000 1.624 5135 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 5135 N HN 0.583 nan 8.380 nan 0.000 0.695 5136 M N 2.841 122.415 119.600 -0.043 0.000 2.248 5136 M HA 0.066 4.546 4.480 0.000 0.000 0.345 5136 M C -0.452 175.789 176.300 -0.098 0.000 1.243 5136 M CA 0.666 55.930 55.300 -0.061 0.000 1.090 5136 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 5136 M HN -0.122 nan 8.290 nan 0.000 0.450 5137 K N 5.196 125.518 120.400 -0.129 0.000 2.259 5137 K HA 0.538 4.858 4.320 0.000 0.000 0.252 5137 K C -1.123 175.275 176.600 -0.336 0.000 0.936 5137 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 5137 K CB 2.198 34.572 32.500 -0.209 0.000 1.143 5137 K HN 0.770 nan 8.250 nan 0.000 0.427 5138 R N 2.143 122.332 120.500 -0.519 0.000 2.604 5138 R HA 0.422 4.762 4.340 0.000 0.000 0.281 5138 R C -1.484 174.466 176.300 -0.585 0.000 1.020 5138 R CA -0.530 55.322 56.100 -0.414 0.000 0.899 5138 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 5138 R HN 0.601 nan 8.270 nan 0.000 0.450 5139 Y N 4.285 124.577 120.300 -0.013 0.000 2.512 5139 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 5139 Y C 0.155 176.059 175.900 0.007 0.000 0.990 5139 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 5139 Y CB 2.375 40.851 38.460 0.027 0.000 1.259 5139 Y HN 0.409 nan 8.280 nan 0.000 0.461 5140 M N 0.857 120.554 119.600 0.162 0.000 2.520 5140 M HA 0.772 5.252 4.480 0.000 0.000 0.280 5140 M C 0.052 176.394 176.300 0.070 0.000 1.232 5140 M CA -0.181 55.171 55.300 0.087 0.000 0.892 5140 M CB 1.225 33.852 32.600 0.046 0.000 1.728 5140 M HN 0.898 nan 8.290 nan 0.000 0.475 5141 G N 2.712 111.538 108.800 0.045 0.000 2.622 5141 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 5141 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 5141 G C 0.643 175.556 174.900 0.022 0.000 1.226 5141 G CA 1.333 46.448 45.100 0.024 0.000 0.997 5141 G HN 1.189 nan 8.290 nan 0.000 0.551 5142 R N 0.363 120.873 120.500 0.016 0.000 2.096 5142 R HA -0.070 4.270 4.340 0.000 0.000 0.235 5142 R C 2.156 178.468 176.300 0.020 0.000 1.127 5142 R CA 2.200 58.305 56.100 0.009 0.000 0.968 5142 R CB -0.406 29.897 30.300 0.005 0.000 0.861 5142 R HN 0.612 nan 8.270 nan 0.000 0.440 5143 D N 0.042 120.472 120.400 0.050 0.000 2.183 5143 D HA -0.074 4.566 4.640 0.000 0.000 0.203 5143 D C 1.700 178.034 176.300 0.056 0.000 0.969 5143 D CA 1.225 55.267 54.000 0.071 0.000 0.842 5143 D CB -0.061 40.833 40.800 0.156 0.000 0.957 5143 D HN 0.374 nan 8.370 nan 0.000 0.484 5144 A N 1.226 124.106 122.820 0.099 0.000 1.877 5144 A HA -0.191 4.129 4.320 0.000 0.000 0.216 5144 A C 2.155 179.759 177.584 0.034 0.000 1.186 5144 A CA 1.175 53.272 52.037 0.100 0.000 0.620 5144 A CB -0.359 18.707 19.000 0.111 0.000 0.822 5144 A HN 0.067 nan 8.150 nan 0.000 0.443 5145 Q N -0.705 119.106 119.800 0.017 0.000 2.079 5145 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 5145 Q C 2.266 178.251 176.000 -0.026 0.000 0.974 5145 Q CA 1.607 57.408 55.803 -0.003 0.000 0.840 5145 Q CB -0.380 28.352 28.738 -0.010 0.000 0.898 5145 Q HN 0.758 nan 8.270 nan 0.000 0.430 5146 R N -0.158 120.321 120.500 -0.035 0.000 2.066 5146 R HA -0.060 4.280 4.340 0.000 0.000 0.232 5146 R C 2.157 178.395 176.300 -0.103 0.000 1.131 5146 R CA 1.096 57.162 56.100 -0.056 0.000 0.955 5146 R CB 0.049 30.322 30.300 -0.044 0.000 0.851 5146 R HN 0.135 nan 8.270 nan 0.000 0.432 5147 M N 0.762 120.275 119.600 -0.145 0.000 2.229 5147 M HA -0.104 4.376 4.480 0.000 0.000 0.264 5147 M C 1.646 177.785 176.300 -0.268 0.000 1.063 5147 M CA 1.411 56.568 55.300 -0.238 0.000 1.114 5147 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 5147 M HN 0.293 nan 8.290 nan 0.000 0.420 5148 N N 0.221 118.840 118.700 -0.135 0.000 2.171 5148 N HA -0.057 4.683 4.740 0.000 0.000 0.184 5148 N C 1.834 177.265 175.510 -0.132 0.000 1.021 5148 N CA 1.048 54.027 53.050 -0.117 0.000 0.854 5148 N CB 0.085 38.577 38.487 0.009 0.000 0.994 5148 N HN 0.297 nan 8.380 nan 0.000 0.426 5149 I N 0.904 121.419 120.570 -0.091 0.000 2.286 5149 I HA -0.232 3.938 4.170 0.000 0.000 0.248 5149 I C 1.901 177.958 176.117 -0.100 0.000 1.115 5149 I CA 0.708 61.967 61.300 -0.070 0.000 1.392 5149 I CB -0.026 37.949 38.000 -0.042 0.000 1.065 5149 I HN 0.076 nan 8.210 nan 0.000 0.418 5150 L N 0.714 121.857 121.223 -0.133 0.000 2.005 5150 L HA -0.142 4.198 4.340 0.000 0.000 0.207 5150 L C 2.729 179.493 176.870 -0.176 0.000 1.072 5150 L CA 2.190 56.947 54.840 -0.139 0.000 0.744 5150 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 5150 L HN 0.190 nan 8.230 nan 0.000 0.433 5151 A N -0.576 122.067 122.820 -0.295 0.000 1.917 5151 A HA -0.169 4.151 4.320 0.000 0.000 0.219 5151 A C 2.398 179.870 177.584 -0.188 0.000 1.182 5151 A CA 1.958 53.790 52.037 -0.341 0.000 0.633 5151 A CB -1.418 17.132 19.000 -0.750 0.000 0.819 5151 A HN 0.463 nan 8.150 nan 0.000 0.448 5152 G N -0.903 107.805 108.800 -0.154 0.000 2.404 5152 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 5152 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 5152 G C 1.751 176.609 174.900 -0.071 0.000 1.174 5152 G CA 1.020 46.068 45.100 -0.086 0.000 0.780 5152 G HN 0.566 nan 8.290 nan 0.000 0.537 5153 R N 0.015 120.470 120.500 -0.074 0.000 2.092 5153 R HA 0.068 4.408 4.340 0.000 0.000 0.231 5153 R C 2.541 178.806 176.300 -0.059 0.000 1.119 5153 R CA 0.911 56.974 56.100 -0.061 0.000 0.970 5153 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 5153 R HN 0.424 nan 8.270 nan 0.000 0.440 5154 I N 0.730 121.258 120.570 -0.070 0.000 2.208 5154 I HA -0.311 3.859 4.170 0.000 0.000 0.245 5154 I C 2.044 178.132 176.117 -0.047 0.000 1.097 5154 I CA 0.924 62.188 61.300 -0.059 0.000 1.363 5154 I CB -0.212 37.746 38.000 -0.070 0.000 1.051 5154 I HN 0.212 nan 8.210 nan 0.000 0.413 5155 I N 1.026 121.567 120.570 -0.049 0.000 2.179 5155 I HA -0.276 3.894 4.170 0.000 0.000 0.242 5155 I C 2.857 178.954 176.117 -0.033 0.000 1.088 5155 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 5155 I CB -1.530 36.451 38.000 -0.032 0.000 1.051 5155 I HN 0.192 nan 8.210 nan 0.000 0.409 5156 A N 0.280 123.077 122.820 -0.039 0.000 1.933 5156 A HA -0.186 4.134 4.320 0.000 0.000 0.218 5156 A C 2.159 179.721 177.584 -0.036 0.000 1.175 5156 A CA 1.370 53.385 52.037 -0.038 0.000 0.628 5156 A CB -0.413 18.560 19.000 -0.044 0.000 0.814 5156 A HN 0.369 nan 8.150 nan 0.000 0.444 5157 E N -0.460 119.718 120.200 -0.037 0.000 2.106 5157 E HA -0.105 4.245 4.350 0.000 0.000 0.192 5157 E C 2.085 178.668 176.600 -0.029 0.000 0.984 5157 E CA 1.612 57.992 56.400 -0.033 0.000 0.806 5157 E CB -0.654 29.025 29.700 -0.034 0.000 0.750 5157 E HN 0.601 nan 8.360 nan 0.000 0.458 5158 T N 1.047 115.585 114.554 -0.027 0.000 2.770 5158 T HA -0.091 4.260 4.350 0.000 0.000 0.263 5158 T C 2.124 176.811 174.700 -0.020 0.000 1.039 5158 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 5158 T CB -0.110 68.747 68.868 -0.018 0.000 0.868 5158 T HN 0.200 nan 8.240 nan 0.000 0.435 5159 V N 1.877 121.778 119.914 -0.022 0.000 2.788 5159 V HA 0.050 4.170 4.120 0.000 0.000 0.251 5159 V C 2.345 178.425 176.094 -0.023 0.000 1.068 5159 V CA 1.123 63.411 62.300 -0.020 0.000 1.090 5159 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 5159 V HN 0.464 nan 8.190 nan 0.000 0.467 5160 R N 2.719 123.202 120.500 -0.028 0.000 2.193 5160 R HA -0.078 4.262 4.340 0.000 0.000 0.229 5160 R C 2.009 178.291 176.300 -0.030 0.000 1.110 5160 R CA 1.666 57.747 56.100 -0.031 0.000 0.988 5160 R CB -1.064 29.215 30.300 -0.035 0.000 0.871 5160 R HN 0.681 nan 8.270 nan 0.000 0.458 5161 S N 0.185 115.868 115.700 -0.027 0.000 2.555 5161 S HA -0.077 4.393 4.470 0.000 0.000 0.230 5161 S C 1.693 176.277 174.600 -0.026 0.000 0.978 5161 S CA 0.784 58.968 58.200 -0.027 0.000 0.934 5161 S CB 0.063 63.248 63.200 -0.024 0.000 0.766 5161 S HN 0.588 nan 8.310 nan 0.000 0.533 5162 T N -1.170 113.370 114.554 -0.024 0.000 3.014 5162 T HA 0.328 4.678 4.350 0.000 0.000 0.250 5162 T C 0.391 175.077 174.700 -0.024 0.000 1.060 5162 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 5162 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 5162 T HN 0.266 nan 8.240 nan 0.000 0.497 5163 L N 2.760 123.967 121.223 -0.028 0.000 2.410 5163 L HA 0.557 4.897 4.340 0.000 0.000 0.273 5163 L C 0.636 177.482 176.870 -0.040 0.000 1.152 5163 L CA 1.557 56.379 54.840 -0.030 0.000 0.855 5163 L CB -0.372 41.668 42.059 -0.031 0.000 1.129 5163 L HN 0.735 nan 8.230 nan 0.000 0.463 5164 G N 3.939 112.715 108.800 -0.040 0.000 2.662 5164 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 5164 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 5164 G C -2.145 172.707 174.900 -0.079 0.000 1.271 5164 G CA -0.459 44.603 45.100 -0.062 0.000 0.816 5164 G HN 0.488 nan 8.290 nan 0.000 0.608 5165 P HA -0.024 nan 4.420 nan 0.000 0.217 5165 P C 1.444 178.651 177.300 -0.154 0.000 1.148 5165 P CA 1.491 64.479 63.100 -0.187 0.000 0.828 5165 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 5166 K N -1.013 119.298 120.400 -0.150 0.000 2.397 5166 K HA 0.243 4.563 4.320 0.000 0.000 0.202 5166 K C 1.035 177.594 176.600 -0.069 0.000 1.022 5166 K CA -0.182 56.042 56.287 -0.105 0.000 1.141 5166 K CB -0.127 32.306 32.500 -0.111 0.000 0.857 5166 K HN 0.040 nan 8.250 nan 0.000 0.514 5167 G N 0.534 109.298 108.800 -0.061 0.000 2.527 5167 G HA2 0.199 4.159 3.960 0.000 0.000 0.248 5167 G HA3 0.199 4.159 3.960 0.000 0.000 0.248 5167 G C -0.019 174.862 174.900 -0.032 0.000 1.231 5167 G CA -0.420 44.655 45.100 -0.042 0.000 0.838 5167 G HN -0.054 nan 8.290 nan 0.000 0.570 5168 M N 0.156 119.741 119.600 -0.026 0.000 2.531 5168 M HA 0.427 4.907 4.480 0.000 0.000 0.262 5168 M C -0.607 175.683 176.300 -0.015 0.000 1.168 5168 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 5168 M CB 1.383 33.970 32.600 -0.021 0.000 1.445 5168 M HN 0.351 nan 8.290 nan 0.000 0.531 5169 D N 0.329 120.722 120.400 -0.013 0.000 2.374 5169 D HA 0.505 5.145 4.640 0.000 0.000 0.239 5169 D C -0.625 175.668 176.300 -0.011 0.000 0.991 5169 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 5169 D CB 1.383 42.180 40.800 -0.005 0.000 1.284 5169 D HN 0.100 nan 8.370 nan 0.000 0.512 5170 K N 0.681 121.077 120.400 -0.007 0.000 2.259 5170 K HA 0.503 4.823 4.320 0.000 0.000 0.249 5170 K C -0.679 175.917 176.600 -0.007 0.000 0.942 5170 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 5170 K CB 2.321 34.818 32.500 -0.004 0.000 1.155 5170 K HN 0.438 nan 8.250 nan 0.000 0.428 5171 M N 3.625 123.218 119.600 -0.012 0.000 2.046 5171 M HA 0.288 4.768 4.480 0.000 0.000 0.309 5171 M C -1.683 174.615 176.300 -0.004 0.000 0.935 5171 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 5171 M CB 0.532 33.111 32.600 -0.035 0.000 1.474 5171 M HN 0.348 nan 8.290 nan 0.000 0.415 5172 L N 5.998 127.227 121.223 0.009 0.000 2.280 5172 L HA 0.529 4.869 4.340 0.000 0.000 0.287 5172 L C -0.859 176.023 176.870 0.021 0.000 1.023 5172 L CA -0.332 54.516 54.840 0.013 0.000 0.819 5172 L CB 1.759 43.827 42.059 0.016 0.000 1.212 5172 L HN 0.408 nan 8.230 nan 0.000 0.420 5173 V N 2.828 122.751 119.914 0.015 0.000 2.378 5173 V HA 0.343 4.463 4.120 0.000 0.000 0.288 5173 V C -0.152 175.953 176.094 0.017 0.000 1.016 5173 V CA -0.958 61.353 62.300 0.019 0.000 0.840 5173 V CB 1.396 33.227 31.823 0.013 0.000 0.994 5173 V HN 0.798 nan 8.190 nan 0.000 0.431 5174 D N 3.554 123.966 120.400 0.021 0.000 2.380 5174 D HA -0.007 4.633 4.640 0.000 0.000 0.254 5174 D C 1.042 177.350 176.300 0.014 0.000 1.288 5174 D CA -0.218 53.792 54.000 0.017 0.000 1.008 5174 D CB 0.480 41.290 40.800 0.017 0.000 1.099 5174 D HN 0.562 nan 8.370 nan 0.000 0.537 5175 D N -0.887 119.521 120.400 0.012 0.000 2.371 5175 D HA -0.121 4.519 4.640 0.000 0.000 0.221 5175 D C 1.595 177.902 176.300 0.011 0.000 0.986 5175 D CA 0.493 54.499 54.000 0.011 0.000 0.899 5175 D CB -0.166 40.640 40.800 0.010 0.000 0.902 5175 D HN 0.389 nan 8.370 nan 0.000 0.530 5176 L N -0.941 120.289 121.223 0.012 0.000 2.590 5176 L HA 0.322 4.662 4.340 0.000 0.000 0.227 5176 L C 1.748 178.627 176.870 0.015 0.000 1.099 5176 L CA 0.494 55.341 54.840 0.012 0.000 0.872 5176 L CB 0.339 42.405 42.059 0.012 0.000 1.088 5176 L HN 0.287 nan 8.230 nan 0.000 0.479 5177 G N -0.231 108.579 108.800 0.017 0.000 2.201 5177 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 5177 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 5177 G C 0.061 174.979 174.900 0.030 0.000 0.994 5177 G CA -0.063 45.049 45.100 0.020 0.000 0.644 5177 G HN 0.305 nan 8.290 nan 0.000 0.508 5178 D N 1.280 121.699 120.400 0.032 0.000 2.434 5178 D HA 0.376 5.016 4.640 0.000 0.000 0.252 5178 D C 0.523 176.860 176.300 0.062 0.000 1.185 5178 D CA 0.240 54.267 54.000 0.044 0.000 0.886 5178 D CB 1.087 41.906 40.800 0.031 0.000 1.148 5178 D HN 0.230 nan 8.370 nan 0.000 0.483 5179 V N 4.881 124.859 119.914 0.107 0.000 2.370 5179 V HA 0.261 4.381 4.120 0.000 0.000 0.279 5179 V C 0.229 176.465 176.094 0.237 0.000 1.029 5179 V CA -0.834 61.547 62.300 0.134 0.000 0.870 5179 V CB 1.620 33.505 31.823 0.103 0.000 0.984 5179 V HN 0.327 nan 8.190 nan 0.000 0.451 5180 V N 6.015 126.010 119.914 0.134 0.000 2.357 5180 V HA 0.423 4.543 4.120 0.000 0.000 0.284 5180 V C -0.163 175.996 176.094 0.107 0.000 1.018 5180 V CA -0.507 61.875 62.300 0.137 0.000 0.841 5180 V CB 1.803 33.668 31.823 0.071 0.000 0.991 5180 V HN 0.606 nan 8.190 nan 0.000 0.437 5181 V N 4.670 124.688 119.914 0.173 0.000 2.350 5181 V HA 0.710 4.831 4.120 0.000 0.000 0.285 5181 V C 0.073 176.217 176.094 0.083 0.000 1.014 5181 V CA 0.027 62.372 62.300 0.075 0.000 0.831 5181 V CB 1.553 33.366 31.823 -0.017 0.000 1.000 5181 V HN 0.979 nan 8.190 nan 0.000 0.433 5182 T N 2.718 117.297 114.554 0.043 0.000 2.792 5182 T HA 0.334 4.684 4.350 0.000 0.000 0.303 5182 T C 0.150 174.861 174.700 0.017 0.000 1.310 5182 T CA -0.342 61.778 62.100 0.034 0.000 1.007 5182 T CB 2.140 71.028 68.868 0.032 0.000 1.335 5182 T HN 0.560 nan 8.240 nan 0.000 0.504 5183 N N 0.285 118.994 118.700 0.014 0.000 2.257 5183 N HA 0.118 4.858 4.740 0.000 0.000 0.200 5183 N C -0.805 174.707 175.510 0.004 0.000 1.163 5183 N CA 0.083 53.136 53.050 0.006 0.000 0.891 5183 N CB 0.463 38.953 38.487 0.005 0.000 1.067 5183 N HN 0.610 nan 8.380 nan 0.000 0.497 5184 D N -0.009 120.395 120.400 0.008 0.000 2.401 5184 D HA 0.157 4.798 4.640 0.000 0.000 0.254 5184 D C 1.369 177.671 176.300 0.003 0.000 1.192 5184 D CA 0.210 54.213 54.000 0.005 0.000 0.885 5184 D CB 1.117 41.921 40.800 0.008 0.000 1.147 5184 D HN 0.250 nan 8.370 nan 0.000 0.478 5185 G N 1.626 110.425 108.800 -0.001 0.000 2.421 5185 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 5185 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 5185 G C 1.536 176.436 174.900 -0.001 0.000 1.171 5185 G CA 0.327 45.425 45.100 -0.003 0.000 0.775 5185 G HN 0.461 nan 8.290 nan 0.000 0.543 5186 V N 0.827 120.741 119.914 0.000 0.000 2.490 5186 V HA -0.129 3.991 4.120 0.000 0.000 0.250 5186 V C 2.925 179.021 176.094 0.005 0.000 1.061 5186 V CA 2.878 65.179 62.300 0.002 0.000 1.064 5186 V CB -0.615 31.209 31.823 0.002 0.000 0.670 5186 V HN 0.403 nan 8.190 nan 0.000 0.461 5187 T N 0.540 115.097 114.554 0.006 0.000 2.812 5187 T HA -0.046 4.304 4.350 0.000 0.000 0.264 5187 T C 1.759 176.465 174.700 0.009 0.000 1.042 5187 T CA 1.915 64.019 62.100 0.008 0.000 1.140 5187 T CB -0.262 68.612 68.868 0.010 0.000 0.870 5187 T HN 0.474 nan 8.240 nan 0.000 0.445 5188 I N 0.653 121.227 120.570 0.008 0.000 2.264 5188 I HA -0.150 4.020 4.170 0.000 0.000 0.248 5188 I C 2.015 178.136 176.117 0.007 0.000 1.111 5188 I CA 0.917 62.221 61.300 0.007 0.000 1.382 5188 I CB -0.272 37.730 38.000 0.003 0.000 1.060 5188 I HN 0.163 nan 8.210 nan 0.000 0.418 5189 L N 0.230 121.456 121.223 0.005 0.000 2.156 5189 L HA -0.101 4.239 4.340 0.000 0.000 0.208 5189 L C 2.523 179.399 176.870 0.009 0.000 1.095 5189 L CA 1.618 56.461 54.840 0.006 0.000 0.770 5189 L CB -0.766 41.296 42.059 0.004 0.000 0.914 5189 L HN 0.095 nan 8.230 nan 0.000 0.439 5190 R N -0.853 119.653 120.500 0.009 0.000 2.075 5190 R HA -0.097 4.243 4.340 0.000 0.000 0.232 5190 R C 2.033 178.340 176.300 0.011 0.000 1.126 5190 R CA 0.954 57.060 56.100 0.010 0.000 0.963 5190 R CB -0.110 30.195 30.300 0.009 0.000 0.858 5190 R HN 0.319 nan 8.270 nan 0.000 0.435 5191 E N 0.875 121.082 120.200 0.012 0.000 2.086 5191 E HA -0.060 4.290 4.350 0.000 0.000 0.190 5191 E C 1.222 177.830 176.600 0.013 0.000 0.975 5191 E CA 0.502 56.910 56.400 0.013 0.000 0.813 5191 E CB -0.125 29.584 29.700 0.015 0.000 0.768 5191 E HN 0.354 nan 8.360 nan 0.000 0.457 5192 M N -0.037 119.571 119.600 0.012 0.000 2.240 5192 M HA 0.091 4.571 4.480 0.000 0.000 0.317 5192 M C 0.509 176.818 176.300 0.014 0.000 1.087 5192 M CA 0.356 55.663 55.300 0.012 0.000 1.176 5192 M CB 0.542 33.148 32.600 0.010 0.000 1.439 5192 M HN -0.257 nan 8.290 nan 0.000 0.452 5193 S N 2.208 117.917 115.700 0.015 0.000 2.473 5193 S HA 0.439 4.909 4.470 0.000 0.000 0.312 5193 S C -0.729 173.885 174.600 0.023 0.000 1.087 5193 S CA -0.789 57.421 58.200 0.018 0.000 1.077 5193 S CB -0.284 62.927 63.200 0.017 0.000 1.065 5193 S HN 0.516 nan 8.310 nan 0.000 0.510 5194 V N 5.665 125.596 119.914 0.027 0.000 2.439 5194 V HA 0.399 4.519 4.120 0.000 0.000 0.282 5194 V C 0.721 176.843 176.094 0.047 0.000 1.039 5194 V CA -0.379 61.944 62.300 0.038 0.000 0.913 5194 V CB 1.637 33.483 31.823 0.038 0.000 0.983 5194 V HN 0.778 nan 8.190 nan 0.000 0.460 5195 E N 1.087 121.326 120.200 0.065 0.000 2.256 5195 E HA 0.084 4.434 4.350 0.000 0.000 0.198 5195 E C 0.727 177.376 176.600 0.082 0.000 0.908 5195 E CA 0.072 56.510 56.400 0.062 0.000 0.915 5195 E CB -0.000 29.735 29.700 0.058 0.000 0.890 5195 E HN 0.692 nan 8.360 nan 0.000 0.484 5196 H N 2.793 121.879 119.070 0.028 0.000 2.886 5196 H HA 0.024 4.580 4.556 0.000 0.000 0.329 5196 H C -1.712 173.632 175.328 0.027 0.000 1.044 5196 H CA -1.266 54.801 56.048 0.033 0.000 1.456 5196 H CB 1.447 31.213 29.762 0.007 0.000 1.464 5196 H HN -0.190 nan 8.280 nan 0.000 0.573 5197 P HA -0.125 nan 4.420 nan 0.000 0.218 5197 P C 1.050 178.468 177.300 0.197 0.000 1.148 5197 P CA 1.942 65.096 63.100 0.091 0.000 0.822 5197 P CB 0.146 31.848 31.700 0.004 0.000 0.784 5198 A N 0.003 123.082 122.820 0.431 0.000 1.898 5198 A HA -0.044 4.276 4.320 0.000 0.000 0.216 5198 A C 2.315 179.949 177.584 0.084 0.000 1.181 5198 A CA 1.883 54.042 52.037 0.204 0.000 0.620 5198 A CB -1.539 17.512 19.000 0.086 0.000 0.819 5198 A HN 0.187 nan 8.150 nan 0.000 0.442 5199 A N -0.118 122.751 122.820 0.080 0.000 1.972 5199 A HA -0.136 4.184 4.320 0.000 0.000 0.219 5199 A C 2.071 179.682 177.584 0.045 0.000 1.169 5199 A CA 1.727 53.782 52.037 0.029 0.000 0.635 5199 A CB -0.390 18.624 19.000 0.022 0.000 0.810 5199 A HN 0.546 nan 8.150 nan 0.000 0.446 5200 K N -0.975 119.467 120.400 0.070 0.000 2.097 5200 K HA -0.057 4.263 4.320 0.000 0.000 0.205 5200 K C 1.889 178.513 176.600 0.041 0.000 1.050 5200 K CA 1.340 57.658 56.287 0.051 0.000 0.938 5200 K CB -0.206 32.326 32.500 0.053 0.000 0.718 5200 K HN 0.357 nan 8.250 nan 0.000 0.442 5201 M N 0.592 120.221 119.600 0.048 0.000 2.254 5201 M HA -0.066 4.414 4.480 0.000 0.000 0.265 5201 M C 2.151 178.466 176.300 0.026 0.000 1.066 5201 M CA 1.130 56.452 55.300 0.037 0.000 1.123 5201 M CB -0.654 31.972 32.600 0.043 0.000 1.388 5201 M HN 0.204 nan 8.290 nan 0.000 0.425 5202 L N 0.109 121.345 121.223 0.021 0.000 2.083 5202 L HA -0.201 4.139 4.340 0.000 0.000 0.209 5202 L C 2.216 179.091 176.870 0.009 0.000 1.083 5202 L CA 1.037 55.883 54.840 0.010 0.000 0.752 5202 L CB -0.165 41.894 42.059 -0.002 0.000 0.899 5202 L HN 0.189 nan 8.230 nan 0.000 0.433 5203 I N -0.447 120.131 120.570 0.013 0.000 2.286 5203 I HA -0.284 3.886 4.170 0.000 0.000 0.248 5203 I C 2.439 178.563 176.117 0.012 0.000 1.115 5203 I CA 1.009 62.316 61.300 0.012 0.000 1.392 5203 I CB -0.319 37.690 38.000 0.015 0.000 1.065 5203 I HN 0.278 nan 8.210 nan 0.000 0.418 5204 E N 0.470 120.679 120.200 0.015 0.000 2.110 5204 E HA -0.156 4.194 4.350 0.000 0.000 0.193 5204 E C 2.431 179.038 176.600 0.012 0.000 0.988 5204 E CA 1.110 57.519 56.400 0.014 0.000 0.804 5204 E CB -0.274 29.436 29.700 0.018 0.000 0.745 5204 E HN 0.357 nan 8.360 nan 0.000 0.458 5205 V N 1.539 121.460 119.914 0.012 0.000 2.358 5205 V HA -0.232 3.888 4.120 0.000 0.000 0.246 5205 V C 2.463 178.560 176.094 0.006 0.000 1.047 5205 V CA 1.774 64.080 62.300 0.010 0.000 1.035 5205 V CB -0.820 31.008 31.823 0.009 0.000 0.658 5205 V HN 0.242 nan 8.190 nan 0.000 0.452 5206 A N -0.355 122.468 122.820 0.004 0.000 1.933 5206 A HA -0.217 4.103 4.320 0.000 0.000 0.218 5206 A C 2.284 179.870 177.584 0.004 0.000 1.175 5206 A CA 1.801 53.840 52.037 0.002 0.000 0.628 5206 A CB -0.396 18.604 19.000 0.001 0.000 0.814 5206 A HN 0.543 nan 8.150 nan 0.000 0.444 5207 K N -0.940 119.463 120.400 0.006 0.000 2.148 5207 K HA -0.062 4.258 4.320 0.000 0.000 0.204 5207 K C 1.988 178.591 176.600 0.005 0.000 1.050 5207 K CA 1.515 57.805 56.287 0.006 0.000 0.942 5207 K CB -0.277 32.227 32.500 0.007 0.000 0.724 5207 K HN 0.450 nan 8.250 nan 0.000 0.446 5208 T N 1.421 115.979 114.554 0.006 0.000 2.777 5208 T HA -0.115 4.235 4.350 0.000 0.000 0.266 5208 T C 1.810 176.513 174.700 0.005 0.000 1.040 5208 T CA 1.007 63.111 62.100 0.006 0.000 1.141 5208 T CB -0.032 68.841 68.868 0.008 0.000 0.868 5208 T HN 0.158 nan 8.240 nan 0.000 0.444 5209 Q N 0.744 120.546 119.800 0.004 0.000 2.124 5209 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 5209 Q C 2.349 178.350 176.000 0.002 0.000 0.977 5209 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 5209 Q CB -0.408 28.330 28.738 0.000 0.000 0.901 5209 Q HN 0.553 nan 8.270 nan 0.000 0.429 5210 E N 1.372 121.573 120.200 0.002 0.000 2.051 5210 E HA -0.172 4.178 4.350 0.000 0.000 0.192 5210 E C 1.899 178.500 176.600 0.002 0.000 0.991 5210 E CA 1.388 57.789 56.400 0.002 0.000 0.799 5210 E CB -0.077 29.625 29.700 0.002 0.000 0.748 5210 E HN 0.054 nan 8.360 nan 0.000 0.449 5211 K N 0.056 120.457 120.400 0.002 0.000 2.057 5211 K HA -0.147 4.173 4.320 0.000 0.000 0.206 5211 K C 1.787 178.388 176.600 0.001 0.000 1.050 5211 K CA 1.379 57.667 56.287 0.002 0.000 0.935 5211 K CB 0.008 32.510 32.500 0.002 0.000 0.715 5211 K HN 0.155 nan 8.250 nan 0.000 0.439 5212 E N 0.070 120.271 120.200 0.002 0.000 2.033 5212 E HA -0.094 4.256 4.350 0.000 0.000 0.189 5212 E C 1.994 178.595 176.600 0.001 0.000 0.979 5212 E CA 1.685 58.086 56.400 0.002 0.000 0.802 5212 E CB 0.149 29.851 29.700 0.003 0.000 0.763 5212 E HN 0.340 nan 8.360 nan 0.000 0.449 5213 V N -4.822 115.092 119.914 0.001 0.000 3.562 5213 V HA 0.520 4.640 4.120 0.000 0.000 0.270 5213 V C 1.389 177.484 176.094 0.001 0.000 1.418 5213 V CA 0.856 63.157 62.300 0.001 0.000 1.033 5213 V CB 0.646 32.471 31.823 0.002 0.000 0.820 5213 V HN 0.301 nan 8.190 nan 0.000 0.441 5214 G N 0.761 109.562 108.800 0.001 0.000 4.365 5214 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 5214 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 5214 G C 0.161 175.062 174.900 0.002 0.000 1.450 5214 G CA 0.505 45.606 45.100 0.001 0.000 0.937 5214 G HN 0.627 nan 8.290 nan 0.000 0.625 5215 D N 1.169 121.570 120.400 0.003 0.000 2.506 5215 D HA 0.485 5.125 4.640 0.000 0.000 0.272 5215 D C 1.555 177.856 176.300 0.001 0.000 1.214 5215 D CA 1.171 55.172 54.000 0.003 0.000 1.067 5215 D CB 0.658 41.461 40.800 0.006 0.000 1.117 5215 D HN 1.621 nan 8.370 nan 0.000 0.578 5216 G N -0.493 108.307 108.800 -0.000 0.000 2.162 5216 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 5216 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 5216 G C 1.091 175.987 174.900 -0.007 0.000 0.976 5216 G CA 1.633 46.731 45.100 -0.004 0.000 0.655 5216 G HN 0.614 nan 8.290 nan 0.000 0.533 5217 T N -2.489 112.062 114.554 -0.006 0.000 2.674 5217 T HA -0.121 4.229 4.350 0.000 0.000 0.265 5217 T C 2.241 176.934 174.700 -0.012 0.000 1.039 5217 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 5217 T CB -0.808 68.057 68.868 -0.004 0.000 0.864 5217 T HN 0.355 nan 8.240 nan 0.000 0.427 5218 T N 2.447 116.994 114.554 -0.012 0.000 2.720 5218 T HA -0.127 4.223 4.350 0.000 0.000 0.268 5218 T C 2.435 177.121 174.700 -0.025 0.000 1.037 5218 T CA 2.145 64.235 62.100 -0.018 0.000 1.144 5218 T CB -1.039 67.819 68.868 -0.016 0.000 0.864 5218 T HN 0.843 nan 8.240 nan 0.000 0.444 5219 T N 0.770 115.309 114.554 -0.024 0.000 2.867 5219 T HA 0.099 4.449 4.350 0.000 0.000 0.268 5219 T C 2.245 176.922 174.700 -0.039 0.000 1.057 5219 T CA 1.019 63.100 62.100 -0.033 0.000 1.136 5219 T CB -0.495 68.356 68.868 -0.028 0.000 0.874 5219 T HN 0.335 nan 8.240 nan 0.000 0.466 5220 A N 1.085 123.886 122.820 -0.030 0.000 1.898 5220 A HA 0.128 4.448 4.320 0.000 0.000 0.216 5220 A C 2.607 180.170 177.584 -0.035 0.000 1.181 5220 A CA 1.474 53.492 52.037 -0.031 0.000 0.620 5220 A CB -0.960 18.029 19.000 -0.018 0.000 0.819 5220 A HN 0.426 nan 8.150 nan 0.000 0.442 5221 V N -0.543 119.352 119.914 -0.031 0.000 2.358 5221 V HA -0.191 3.929 4.120 0.000 0.000 0.246 5221 V C 2.547 178.615 176.094 -0.044 0.000 1.047 5221 V CA 1.847 64.127 62.300 -0.032 0.000 1.035 5221 V CB -0.722 31.086 31.823 -0.025 0.000 0.658 5221 V HN 0.353 nan 8.190 nan 0.000 0.452 5222 V N -0.568 119.317 119.914 -0.047 0.000 2.307 5222 V HA -0.196 3.924 4.120 0.000 0.000 0.245 5222 V C 2.449 178.499 176.094 -0.074 0.000 1.045 5222 V CA 2.048 64.315 62.300 -0.055 0.000 1.024 5222 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 5222 V HN 0.416 nan 8.190 nan 0.000 0.449 5223 V N -0.005 119.857 119.914 -0.086 0.000 2.515 5223 V HA -0.168 3.952 4.120 0.000 0.000 0.250 5223 V C 2.504 178.513 176.094 -0.141 0.000 1.058 5223 V CA 1.957 64.182 62.300 -0.126 0.000 1.064 5223 V CB -0.208 31.532 31.823 -0.138 0.000 0.675 5223 V HN 0.521 nan 8.190 nan 0.000 0.461 5224 A N -0.225 122.535 122.820 -0.100 0.000 1.929 5224 A HA 0.037 4.357 4.320 0.000 0.000 0.216 5224 A C 2.325 179.869 177.584 -0.067 0.000 1.176 5224 A CA 1.583 53.572 52.037 -0.080 0.000 0.628 5224 A CB -1.132 17.841 19.000 -0.046 0.000 0.816 5224 A HN 0.586 nan 8.150 nan 0.000 0.444 5225 G N -0.370 108.392 108.800 -0.064 0.000 2.418 5225 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 5225 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 5225 G C 1.472 176.337 174.900 -0.059 0.000 1.158 5225 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 5225 G HN 0.555 nan 8.290 nan 0.000 0.545 5226 E N -0.038 120.115 120.200 -0.077 0.000 2.107 5226 E HA -0.034 4.316 4.350 0.000 0.000 0.191 5226 E C 2.279 178.825 176.600 -0.090 0.000 0.982 5226 E CA 0.384 56.735 56.400 -0.082 0.000 0.809 5226 E CB -0.395 29.244 29.700 -0.101 0.000 0.756 5226 E HN 0.251 nan 8.360 nan 0.000 0.459 5227 L N 0.155 121.300 121.223 -0.131 0.000 2.083 5227 L HA -0.087 4.253 4.340 0.000 0.000 0.209 5227 L C 1.996 178.862 176.870 -0.006 0.000 1.083 5227 L CA 1.597 56.338 54.840 -0.165 0.000 0.752 5227 L CB -0.369 41.539 42.059 -0.251 0.000 0.899 5227 L HN 0.262 nan 8.230 nan 0.000 0.433 5228 L N -1.183 120.044 121.223 0.005 0.000 2.109 5228 L HA -0.151 4.189 4.340 0.000 0.000 0.207 5228 L C 2.690 179.578 176.870 0.029 0.000 1.086 5228 L CA 1.013 55.878 54.840 0.041 0.000 0.760 5228 L CB -0.483 41.580 42.059 0.007 0.000 0.910 5228 L HN 0.242 nan 8.230 nan 0.000 0.437 5229 R N 0.715 121.214 120.500 -0.000 0.000 2.091 5229 R HA -0.144 4.196 4.340 0.000 0.000 0.238 5229 R C 2.198 178.510 176.300 0.020 0.000 1.136 5229 R CA 1.477 57.575 56.100 -0.003 0.000 0.959 5229 R CB -0.115 30.172 30.300 -0.022 0.000 0.856 5229 R HN 0.068 nan 8.270 nan 0.000 0.437 5230 K N -0.086 120.335 120.400 0.035 0.000 2.155 5230 K HA 0.083 4.403 4.320 0.000 0.000 0.203 5230 K C 1.921 178.605 176.600 0.139 0.000 1.052 5230 K CA 1.124 57.456 56.287 0.074 0.000 0.948 5230 K CB -0.220 32.320 32.500 0.065 0.000 0.728 5230 K HN 0.290 nan 8.250 nan 0.000 0.448 5231 A N 1.445 124.374 122.820 0.182 0.000 1.933 5231 A HA -0.190 4.130 4.320 0.000 0.000 0.218 5231 A C 2.128 179.747 177.584 0.058 0.000 1.175 5231 A CA 1.616 53.748 52.037 0.158 0.000 0.628 5231 A CB -0.351 18.767 19.000 0.197 0.000 0.814 5231 A HN 0.420 nan 8.150 nan 0.000 0.444 5232 E N -0.409 119.817 120.200 0.042 0.000 2.106 5232 E HA -0.195 4.155 4.350 0.000 0.000 0.192 5232 E C 1.739 178.346 176.600 0.012 0.000 0.984 5232 E CA 1.028 57.437 56.400 0.014 0.000 0.806 5232 E CB -0.036 29.666 29.700 0.003 0.000 0.750 5232 E HN 0.524 nan 8.360 nan 0.000 0.458 5233 E N 0.502 120.716 120.200 0.024 0.000 2.110 5233 E HA -0.172 4.178 4.350 0.000 0.000 0.193 5233 E C 2.243 178.854 176.600 0.019 0.000 0.988 5233 E CA 0.732 57.144 56.400 0.021 0.000 0.804 5233 E CB -0.143 29.574 29.700 0.029 0.000 0.745 5233 E HN 0.403 nan 8.360 nan 0.000 0.458 5234 L N 0.060 121.299 121.223 0.026 0.000 2.093 5234 L HA -0.163 4.177 4.340 0.000 0.000 0.208 5234 L C 2.293 179.157 176.870 -0.010 0.000 1.085 5234 L CA 0.360 55.206 54.840 0.010 0.000 0.755 5234 L CB -0.283 41.776 42.059 0.000 0.000 0.904 5234 L HN 0.120 nan 8.230 nan 0.000 0.435 5235 L N -0.183 121.032 121.223 -0.014 0.000 2.141 5235 L HA -0.208 4.132 4.340 0.000 0.000 0.209 5235 L C 2.070 178.931 176.870 -0.017 0.000 1.094 5235 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 5235 L CB -0.800 41.243 42.059 -0.027 0.000 0.908 5235 L HN 0.225 nan 8.230 nan 0.000 0.437 5236 D N -1.369 119.027 120.400 -0.007 0.000 2.178 5236 D HA -0.169 4.471 4.640 0.000 0.000 0.202 5236 D C 1.900 178.199 176.300 -0.002 0.000 0.974 5236 D CA 0.754 54.752 54.000 -0.004 0.000 0.841 5236 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 5236 D HN 0.217 nan 8.370 nan 0.000 0.478 5237 Q N 0.032 119.832 119.800 -0.000 0.000 2.444 5237 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 5237 Q C 0.035 176.035 176.000 0.001 0.000 0.948 5237 Q CA 0.209 56.013 55.803 0.002 0.000 0.946 5237 Q CB 0.149 28.891 28.738 0.007 0.000 1.027 5237 Q HN 0.363 nan 8.270 nan 0.000 0.513 5238 N N -0.212 118.485 118.700 -0.005 0.000 2.780 5238 N HA -0.135 4.605 4.740 0.000 0.000 0.248 5238 N C -0.903 174.608 175.510 0.002 0.000 1.102 5238 N CA 0.404 53.450 53.050 -0.005 0.000 0.697 5238 N CB -1.768 36.720 38.487 0.003 0.000 1.028 5238 N HN 0.008 nan 8.380 nan 0.000 0.554 5239 V N 1.769 121.679 119.914 -0.006 0.000 2.408 5239 V HA 0.062 4.182 4.120 0.000 0.000 0.267 5239 V C 1.132 177.223 176.094 -0.004 0.000 1.047 5239 V CA -0.569 61.733 62.300 0.003 0.000 0.937 5239 V CB 1.126 32.941 31.823 -0.013 0.000 0.999 5239 V HN 0.287 nan 8.190 nan 0.000 0.472 5240 H N 8.311 127.360 119.070 -0.036 0.000 3.001 5240 H HA 0.026 4.582 4.556 0.000 0.000 0.334 5240 H C -1.666 173.632 175.328 -0.051 0.000 1.034 5240 H CA -1.129 54.898 56.048 -0.035 0.000 1.420 5240 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 5240 H HN 0.383 nan 8.280 nan 0.000 0.593 5241 P HA -0.187 nan 4.420 nan 0.000 0.217 5241 P C 1.414 178.739 177.300 0.041 0.000 1.148 5241 P CA 2.559 65.593 63.100 -0.109 0.000 0.834 5241 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 5242 T N -4.117 110.607 114.554 0.282 0.000 3.023 5242 T HA 0.000 4.350 4.350 0.000 0.000 0.266 5242 T C 1.752 176.481 174.700 0.047 0.000 1.093 5242 T CA 0.677 62.864 62.100 0.146 0.000 1.129 5242 T CB -1.041 67.895 68.868 0.114 0.000 0.899 5242 T HN 0.059 nan 8.240 nan 0.000 0.491 5243 I N 0.812 121.417 120.570 0.058 0.000 2.333 5243 I HA -0.049 4.122 4.170 0.000 0.000 0.246 5243 I C 2.622 178.685 176.117 -0.090 0.000 1.106 5243 I CA 0.475 61.769 61.300 -0.011 0.000 1.411 5243 I CB -0.331 37.674 38.000 0.010 0.000 1.082 5243 I HN 0.093 nan 8.210 nan 0.000 0.420 5244 V N 1.270 121.096 119.914 -0.148 0.000 2.255 5244 V HA -0.250 3.870 4.120 0.000 0.000 0.247 5244 V C 2.561 178.314 176.094 -0.569 0.000 1.051 5244 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 5244 V CB -0.667 30.940 31.823 -0.361 0.000 0.641 5244 V HN 0.482 nan 8.190 nan 0.000 0.445 5245 V N -1.337 118.404 119.914 -0.289 0.000 2.809 5245 V HA -0.144 3.976 4.120 0.000 0.000 0.256 5245 V C 2.237 178.307 176.094 -0.040 0.000 1.080 5245 V CA 2.135 64.355 62.300 -0.132 0.000 1.102 5245 V CB -0.758 31.053 31.823 -0.021 0.000 0.705 5245 V HN 0.553 nan 8.190 nan 0.000 0.475 5246 K N 1.308 121.674 120.400 -0.057 0.000 2.025 5246 K HA -0.001 4.319 4.320 0.000 0.000 0.207 5246 K C 2.204 178.805 176.600 0.002 0.000 1.049 5246 K CA 1.666 57.942 56.287 -0.018 0.000 0.933 5246 K CB -0.816 31.671 32.500 -0.022 0.000 0.714 5246 K HN 0.525 nan 8.250 nan 0.000 0.438 5247 G N -0.148 108.645 108.800 -0.011 0.000 2.422 5247 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 5247 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 5247 G C 1.144 176.138 174.900 0.157 0.000 1.146 5247 G CA 0.558 45.696 45.100 0.064 0.000 0.769 5247 G HN 0.251 nan 8.290 nan 0.000 0.547 5248 Y N 0.397 120.673 120.300 -0.040 0.000 2.242 5248 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 5248 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 5248 Y CA 1.009 59.037 58.100 -0.121 0.000 1.181 5248 Y CB -0.866 37.656 38.460 0.104 0.000 0.989 5248 Y HN 0.273 nan 8.280 nan 0.000 0.527 5249 Q N 0.311 120.142 119.800 0.052 0.000 2.083 5249 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 5249 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 5249 Q CA 1.689 57.488 55.803 -0.007 0.000 0.838 5249 Q CB -0.473 28.278 28.738 0.021 0.000 0.900 5249 Q HN 0.314 nan 8.270 nan 0.000 0.436 5250 A N 0.365 123.171 122.820 -0.024 0.000 1.877 5250 A HA -0.038 4.282 4.320 0.000 0.000 0.216 5250 A C 2.288 179.843 177.584 -0.050 0.000 1.186 5250 A CA 1.978 54.039 52.037 0.041 0.000 0.620 5250 A CB -1.222 17.873 19.000 0.158 0.000 0.822 5250 A HN 0.505 nan 8.150 nan 0.000 0.443 5251 A N -0.337 122.372 122.820 -0.185 0.000 1.930 5251 A HA 0.217 4.537 4.320 0.000 0.000 0.217 5251 A C 2.461 179.668 177.584 -0.628 0.000 1.175 5251 A CA 1.924 53.708 52.037 -0.421 0.000 0.627 5251 A CB -0.890 17.731 19.000 -0.631 0.000 0.815 5251 A HN 1.025 nan 8.150 nan 0.000 0.443 5252 A N -1.129 121.253 122.820 -0.730 0.000 1.930 5252 A HA -0.141 4.179 4.320 0.000 0.000 0.217 5252 A C 2.119 179.600 177.584 -0.172 0.000 1.175 5252 A CA 1.520 53.343 52.037 -0.357 0.000 0.627 5252 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 5252 A HN 0.477 nan 8.150 nan 0.000 0.443 5253 Q N -0.294 119.403 119.800 -0.172 0.000 2.079 5253 Q HA -0.172 4.168 4.340 0.000 0.000 0.200 5253 Q C 2.053 177.956 176.000 -0.163 0.000 0.974 5253 Q CA 1.868 57.597 55.803 -0.123 0.000 0.840 5253 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 5253 Q HN 0.613 nan 8.270 nan 0.000 0.430 5254 K N 0.979 121.211 120.400 -0.280 0.000 2.097 5254 K HA 0.012 4.332 4.320 0.000 0.000 0.205 5254 K C 1.832 178.306 176.600 -0.210 0.000 1.050 5254 K CA 1.206 57.279 56.287 -0.357 0.000 0.938 5254 K CB -0.448 31.578 32.500 -0.790 0.000 0.718 5254 K HN 0.122 nan 8.250 nan 0.000 0.442 5255 A N 0.617 123.344 122.820 -0.155 0.000 1.933 5255 A HA -0.210 4.110 4.320 0.000 0.000 0.218 5255 A C 2.078 179.647 177.584 -0.026 0.000 1.175 5255 A CA 1.692 53.705 52.037 -0.039 0.000 0.628 5255 A CB -0.515 18.526 19.000 0.068 0.000 0.814 5255 A HN 0.510 nan 8.150 nan 0.000 0.444 5256 Q N -0.632 119.145 119.800 -0.039 0.000 2.079 5256 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 5256 Q C 1.980 177.962 176.000 -0.031 0.000 0.974 5256 Q CA 1.603 57.391 55.803 -0.025 0.000 0.840 5256 Q CB -0.179 28.543 28.738 -0.026 0.000 0.898 5256 Q HN 0.774 nan 8.270 nan 0.000 0.430 5257 E N 0.525 120.693 120.200 -0.053 0.000 2.106 5257 E HA -0.157 4.193 4.350 0.000 0.000 0.192 5257 E C 2.046 178.624 176.600 -0.036 0.000 0.984 5257 E CA 0.739 57.110 56.400 -0.048 0.000 0.806 5257 E CB -0.027 29.632 29.700 -0.069 0.000 0.750 5257 E HN 0.307 nan 8.360 nan 0.000 0.458 5258 L N 0.568 121.766 121.223 -0.042 0.000 2.056 5258 L HA -0.192 4.149 4.340 0.000 0.000 0.207 5258 L C 2.436 179.304 176.870 -0.003 0.000 1.078 5258 L CA 0.893 55.721 54.840 -0.020 0.000 0.749 5258 L CB -0.327 41.721 42.059 -0.019 0.000 0.901 5258 L HN 0.169 nan 8.230 nan 0.000 0.433 5259 L N -0.445 120.777 121.223 -0.002 0.000 2.056 5259 L HA -0.205 4.135 4.340 0.000 0.000 0.207 5259 L C 2.598 179.470 176.870 0.003 0.000 1.078 5259 L CA 1.335 56.178 54.840 0.006 0.000 0.749 5259 L CB -0.429 41.634 42.059 0.007 0.000 0.901 5259 L HN 0.206 nan 8.230 nan 0.000 0.433 5260 K N -0.729 119.669 120.400 -0.003 0.000 2.148 5260 K HA -0.098 4.222 4.320 0.000 0.000 0.204 5260 K C 2.051 178.649 176.600 -0.002 0.000 1.050 5260 K CA 1.531 57.816 56.287 -0.003 0.000 0.942 5260 K CB -0.170 32.326 32.500 -0.007 0.000 0.724 5260 K HN 0.276 nan 8.250 nan 0.000 0.446 5261 T N 1.944 116.496 114.554 -0.003 0.000 2.777 5261 T HA -0.072 4.278 4.350 0.000 0.000 0.266 5261 T C 1.859 176.561 174.700 0.003 0.000 1.040 5261 T CA 1.263 63.362 62.100 -0.001 0.000 1.141 5261 T CB -0.127 68.739 68.868 -0.002 0.000 0.868 5261 T HN 0.385 nan 8.240 nan 0.000 0.444 5262 I N -0.325 120.250 120.570 0.008 0.000 3.578 5262 I HA 0.451 4.621 4.170 0.000 0.000 0.295 5262 I C 1.036 177.158 176.117 0.009 0.000 1.280 5262 I CA -0.554 60.753 61.300 0.011 0.000 1.347 5262 I CB -0.458 37.557 38.000 0.024 0.000 1.051 5262 I HN -0.055 nan 8.210 nan 0.000 0.460 5263 A N 1.578 124.402 122.820 0.007 0.000 2.548 5263 A HA 0.101 4.421 4.320 0.000 0.000 0.247 5263 A C 0.161 177.747 177.584 0.004 0.000 1.067 5263 A CA -0.015 52.025 52.037 0.006 0.000 0.757 5263 A CB -0.281 18.721 19.000 0.003 0.000 0.996 5263 A HN 0.642 nan 8.150 nan 0.000 0.504 5264 C N 3.612 122.914 119.300 0.004 0.000 2.265 5264 C HA 0.473 4.933 4.460 0.000 0.000 0.332 5264 C C 0.493 175.484 174.990 0.001 0.000 1.248 5264 C CA -0.585 58.434 59.018 0.002 0.000 1.727 5264 C CB -0.799 26.942 27.740 0.002 0.000 2.348 5264 C HN 0.930 nan 8.230 nan 0.000 0.519 5265 E N 3.842 124.041 120.200 -0.000 0.000 2.316 5265 E HA 0.498 4.848 4.350 0.000 0.000 0.275 5265 E C -0.294 176.305 176.600 -0.001 0.000 1.029 5265 E CA -0.201 56.199 56.400 -0.001 0.000 0.871 5265 E CB 0.860 30.560 29.700 -0.001 0.000 1.022 5265 E HN 0.727 nan 8.360 nan 0.000 0.418 5266 V N 0.974 120.887 119.914 -0.001 0.000 3.102 5266 V HA 0.733 4.853 4.120 0.000 0.000 0.312 5266 V C 0.362 176.455 176.094 -0.002 0.000 1.135 5266 V CA -0.784 61.514 62.300 -0.002 0.000 1.022 5266 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 5266 V HN 0.714 nan 8.190 nan 0.000 0.436 5267 G N 0.520 109.318 108.800 -0.003 0.000 2.343 5267 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 5267 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 5267 G C 0.986 175.884 174.900 -0.003 0.000 1.277 5267 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 5267 G HN 1.658 nan 8.290 nan 0.000 0.502 5268 A N 2.474 125.292 122.820 -0.002 0.000 1.978 5268 A HA -0.099 4.221 4.320 0.000 0.000 0.220 5268 A C 2.068 179.650 177.584 -0.003 0.000 1.170 5268 A CA 1.970 54.005 52.037 -0.002 0.000 0.636 5268 A CB -0.091 18.907 19.000 -0.002 0.000 0.810 5268 A HN 0.764 nan 8.150 nan 0.000 0.448 5269 Q N -0.227 119.571 119.800 -0.002 0.000 2.175 5269 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 5269 Q C -0.414 175.585 176.000 -0.003 0.000 0.837 5269 Q CA 0.165 55.966 55.803 -0.002 0.000 1.032 5269 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 5269 Q HN 0.430 nan 8.270 nan 0.000 0.483 5270 D N 0.891 121.290 120.400 -0.003 0.000 2.346 5270 D HA 0.044 4.684 4.640 0.000 0.000 0.260 5270 D C 0.997 177.294 176.300 -0.004 0.000 1.252 5270 D CA -0.070 53.928 54.000 -0.003 0.000 0.895 5270 D CB 0.900 41.698 40.800 -0.004 0.000 1.097 5270 D HN 0.078 nan 8.370 nan 0.000 0.489 5271 K N 3.622 124.020 120.400 -0.004 0.000 2.052 5271 K HA -0.304 4.016 4.320 0.000 0.000 0.215 5271 K C 1.553 178.149 176.600 -0.006 0.000 1.053 5271 K CA 2.195 58.479 56.287 -0.005 0.000 0.934 5271 K CB -0.209 32.288 32.500 -0.004 0.000 0.717 5271 K HN 0.677 nan 8.250 nan 0.000 0.450 5272 E N -0.534 119.662 120.200 -0.007 0.000 2.021 5272 E HA -0.227 4.123 4.350 0.000 0.000 0.200 5272 E C 2.010 178.605 176.600 -0.009 0.000 1.015 5272 E CA 1.769 58.164 56.400 -0.008 0.000 0.824 5272 E CB -0.299 29.396 29.700 -0.008 0.000 0.762 5272 E HN 0.345 nan 8.360 nan 0.000 0.454 5273 I N 0.551 121.117 120.570 -0.007 0.000 2.614 5273 I HA -0.189 3.981 4.170 0.000 0.000 0.258 5273 I C 1.947 178.060 176.117 -0.006 0.000 1.189 5273 I CA 0.624 61.920 61.300 -0.007 0.000 1.462 5273 I CB -0.067 37.930 38.000 -0.005 0.000 1.092 5273 I HN 0.213 nan 8.210 nan 0.000 0.442 5274 L N 0.032 121.252 121.223 -0.006 0.000 2.093 5274 L HA -0.171 4.169 4.340 0.000 0.000 0.208 5274 L C 2.653 179.519 176.870 -0.007 0.000 1.085 5274 L CA 2.372 57.209 54.840 -0.006 0.000 0.755 5274 L CB -1.409 40.647 42.059 -0.005 0.000 0.904 5274 L HN 0.476 nan 8.230 nan 0.000 0.435 5275 T N -4.832 109.717 114.554 -0.009 0.000 3.014 5275 T HA -0.080 4.270 4.350 0.000 0.000 0.263 5275 T C 1.910 176.601 174.700 -0.014 0.000 1.078 5275 T CA 0.525 62.618 62.100 -0.011 0.000 1.135 5275 T CB -0.101 68.759 68.868 -0.012 0.000 0.895 5275 T HN 0.188 nan 8.240 nan 0.000 0.480 5276 K N 0.522 120.914 120.400 -0.014 0.000 2.062 5276 K HA 0.117 4.437 4.320 0.000 0.000 0.205 5276 K C 2.137 178.729 176.600 -0.012 0.000 1.051 5276 K CA 0.827 57.104 56.287 -0.016 0.000 0.941 5276 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 5276 K HN 0.236 nan 8.250 nan 0.000 0.440 5277 I N 1.337 121.903 120.570 -0.007 0.000 2.202 5277 I HA -0.202 3.968 4.170 0.000 0.000 0.242 5277 I C 2.501 178.617 176.117 -0.002 0.000 1.091 5277 I CA 1.192 62.491 61.300 -0.003 0.000 1.368 5277 I CB -1.359 36.640 38.000 -0.002 0.000 1.058 5277 I HN 0.092 nan 8.210 nan 0.000 0.410 5278 A N 0.724 123.542 122.820 -0.004 0.000 1.865 5278 A HA -0.247 4.073 4.320 0.000 0.000 0.217 5278 A C 2.412 179.994 177.584 -0.004 0.000 1.191 5278 A CA 1.991 54.025 52.037 -0.004 0.000 0.623 5278 A CB -0.623 18.374 19.000 -0.006 0.000 0.826 5278 A HN 0.353 nan 8.150 nan 0.000 0.444 5279 M N -0.324 119.270 119.600 -0.010 0.000 2.099 5279 M HA -0.132 4.348 4.480 0.000 0.000 0.262 5279 M C 2.438 178.731 176.300 -0.011 0.000 1.067 5279 M CA 2.031 57.322 55.300 -0.016 0.000 1.124 5279 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 5279 M HN 0.717 nan 8.290 nan 0.000 0.410 5280 T N -2.757 111.792 114.554 -0.008 0.000 2.867 5280 T HA -0.098 4.252 4.350 0.000 0.000 0.268 5280 T C 1.888 176.606 174.700 0.030 0.000 1.057 5280 T CA 1.642 63.747 62.100 0.009 0.000 1.136 5280 T CB -0.462 68.412 68.868 0.010 0.000 0.874 5280 T HN 0.286 nan 8.240 nan 0.000 0.466 5281 S N 0.975 116.687 115.700 0.019 0.000 2.355 5281 S HA 0.042 4.512 4.470 0.000 0.000 0.222 5281 S C 1.990 176.607 174.600 0.027 0.000 1.031 5281 S CA 0.862 59.074 58.200 0.022 0.000 0.993 5281 S CB -0.603 62.604 63.200 0.012 0.000 0.859 5281 S HN 0.589 nan 8.310 nan 0.000 0.453 5282 I N 1.719 122.303 120.570 0.022 0.000 2.361 5282 I HA -0.108 4.062 4.170 0.000 0.000 0.251 5282 I C 1.220 177.364 176.117 0.045 0.000 1.133 5282 I CA 0.873 62.188 61.300 0.025 0.000 1.413 5282 I CB -0.909 37.100 38.000 0.015 0.000 1.073 5282 I HN 0.427 nan 8.210 nan 0.000 0.424 5283 T N -0.543 114.050 114.554 0.064 0.000 2.932 5283 T HA 0.315 4.665 4.350 0.000 0.000 0.312 5283 T C 1.169 175.947 174.700 0.130 0.000 1.071 5283 T CA 0.099 62.276 62.100 0.127 0.000 1.128 5283 T CB 1.273 70.259 68.868 0.196 0.000 0.984 5283 T HN 0.604 nan 8.240 nan 0.000 0.549 5284 G N 1.323 110.208 108.800 0.143 0.000 2.176 5284 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 5284 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 5284 G C -0.039 174.886 174.900 0.043 0.000 0.979 5284 G CA 0.352 45.494 45.100 0.070 0.000 0.641 5284 G HN 0.913 nan 8.290 nan 0.000 0.530 5285 K N -0.461 119.970 120.400 0.051 0.000 2.185 5285 K HA 0.681 5.001 4.320 0.000 0.000 0.240 5285 K C 1.585 178.207 176.600 0.037 0.000 0.983 5285 K CA 0.124 56.432 56.287 0.036 0.000 0.873 5285 K CB 0.841 33.360 32.500 0.032 0.000 1.118 5285 K HN 0.195 nan 8.250 nan 0.000 0.441 5286 G N 0.200 109.017 108.800 0.029 0.000 2.432 5286 G HA2 -0.226 3.735 3.960 0.000 0.000 0.219 5286 G HA3 -0.226 3.735 3.960 0.000 0.000 0.219 5286 G C 1.178 176.096 174.900 0.029 0.000 1.135 5286 G CA 1.023 46.140 45.100 0.028 0.000 0.767 5286 G HN 0.577 nan 8.290 nan 0.000 0.550 5287 A N 0.502 123.339 122.820 0.027 0.000 2.172 5287 A HA 0.082 4.402 4.320 0.000 0.000 0.216 5287 A C 1.987 179.586 177.584 0.024 0.000 1.154 5287 A CA 1.652 53.703 52.037 0.023 0.000 0.701 5287 A CB -0.337 18.674 19.000 0.019 0.000 0.789 5287 A HN 0.507 nan 8.150 nan 0.000 0.465 5288 E N 1.190 121.410 120.200 0.034 0.000 2.171 5288 E HA -0.297 4.053 4.350 0.000 0.000 0.197 5288 E C 1.880 178.496 176.600 0.026 0.000 0.997 5288 E CA 1.671 58.094 56.400 0.037 0.000 0.810 5288 E CB -0.202 29.539 29.700 0.069 0.000 0.738 5288 E HN 0.802 nan 8.360 nan 0.000 0.467 5289 K N -0.459 119.958 120.400 0.028 0.000 2.218 5289 K HA -0.122 4.198 4.320 0.000 0.000 0.205 5289 K C 1.240 177.848 176.600 0.012 0.000 1.046 5289 K CA 1.493 57.792 56.287 0.021 0.000 0.933 5289 K CB -0.018 32.495 32.500 0.022 0.000 0.728 5289 K HN 0.105 nan 8.250 nan 0.000 0.454 5290 A N 1.803 124.630 122.820 0.011 0.000 2.606 5290 A HA 0.136 4.456 4.320 0.000 0.000 0.290 5290 A C 1.369 178.954 177.584 0.002 0.000 1.174 5290 A CA -0.542 51.498 52.037 0.006 0.000 0.958 5290 A CB -0.016 18.989 19.000 0.008 0.000 1.194 5290 A HN 0.423 nan 8.150 nan 0.000 0.526 5291 K N 0.154 120.555 120.400 0.000 0.000 2.281 5291 K HA -0.188 4.132 4.320 0.000 0.000 0.203 5291 K C 0.863 177.457 176.600 -0.010 0.000 1.046 5291 K CA 1.870 58.155 56.287 -0.004 0.000 0.938 5291 K CB -0.096 32.399 32.500 -0.009 0.000 0.737 5291 K HN 0.317 nan 8.250 nan 0.000 0.458 5292 E N 1.501 121.694 120.200 -0.011 0.000 2.047 5292 E HA -0.137 4.213 4.350 0.000 0.000 0.191 5292 E C 1.916 178.511 176.600 -0.008 0.000 0.987 5292 E CA 1.305 57.697 56.400 -0.013 0.000 0.799 5292 E CB -0.049 29.642 29.700 -0.013 0.000 0.752 5292 E HN 0.267 nan 8.360 nan 0.000 0.449 5293 K N 0.212 120.609 120.400 -0.005 0.000 2.097 5293 K HA -0.067 4.253 4.320 0.000 0.000 0.205 5293 K C 1.658 178.256 176.600 -0.003 0.000 1.050 5293 K CA 0.722 57.007 56.287 -0.003 0.000 0.938 5293 K CB -0.201 32.299 32.500 0.000 0.000 0.718 5293 K HN -0.008 nan 8.250 nan 0.000 0.442 5294 L N 0.519 121.740 121.223 -0.003 0.000 2.056 5294 L HA 0.014 4.355 4.340 0.000 0.000 0.207 5294 L C 2.284 179.151 176.870 -0.005 0.000 1.078 5294 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 5294 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 5294 L HN 0.270 nan 8.230 nan 0.000 0.433 5295 A N -0.972 121.844 122.820 -0.006 0.000 1.933 5295 A HA -0.258 4.062 4.320 0.000 0.000 0.218 5295 A C 2.355 179.934 177.584 -0.008 0.000 1.175 5295 A CA 1.799 53.832 52.037 -0.008 0.000 0.628 5295 A CB -0.544 18.450 19.000 -0.011 0.000 0.814 5295 A HN 0.501 nan 8.150 nan 0.000 0.444 5296 E N -0.226 119.969 120.200 -0.008 0.000 2.077 5296 E HA -0.160 4.190 4.350 0.000 0.000 0.193 5296 E C 1.875 178.470 176.600 -0.007 0.000 0.989 5296 E CA 1.232 57.627 56.400 -0.007 0.000 0.800 5296 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 5296 E HN 0.663 nan 8.360 nan 0.000 0.452 5297 I N 0.341 120.907 120.570 -0.007 0.000 2.226 5297 I HA -0.265 3.905 4.170 0.000 0.000 0.245 5297 I C 2.117 178.228 176.117 -0.011 0.000 1.100 5297 I CA 0.737 62.032 61.300 -0.009 0.000 1.374 5297 I CB -0.073 37.922 38.000 -0.009 0.000 1.057 5297 I HN 0.200 nan 8.210 nan 0.000 0.413 5298 I N -0.449 120.116 120.570 -0.009 0.000 2.406 5298 I HA -0.161 4.009 4.170 0.000 0.000 0.249 5298 I C 2.295 178.407 176.117 -0.009 0.000 1.122 5298 I CA 1.074 62.369 61.300 -0.009 0.000 1.431 5298 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 5298 I HN -0.072 nan 8.210 nan 0.000 0.424 5299 V N 0.230 120.139 119.914 -0.008 0.000 2.358 5299 V HA -0.245 3.875 4.120 0.000 0.000 0.246 5299 V C 2.501 178.591 176.094 -0.007 0.000 1.047 5299 V CA 1.861 64.157 62.300 -0.007 0.000 1.035 5299 V CB -0.523 31.297 31.823 -0.006 0.000 0.658 5299 V HN 0.401 nan 8.190 nan 0.000 0.452 5300 E N 0.826 121.022 120.200 -0.007 0.000 2.072 5300 E HA -0.143 4.207 4.350 0.000 0.000 0.191 5300 E C 2.133 178.728 176.600 -0.009 0.000 0.985 5300 E CA 1.596 57.991 56.400 -0.007 0.000 0.801 5300 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 5300 E HN 0.488 nan 8.360 nan 0.000 0.452 5301 A N 0.079 122.891 122.820 -0.012 0.000 1.877 5301 A HA -0.145 4.175 4.320 0.000 0.000 0.216 5301 A C 2.510 180.087 177.584 -0.013 0.000 1.186 5301 A CA 1.745 53.773 52.037 -0.016 0.000 0.620 5301 A CB -0.847 18.141 19.000 -0.019 0.000 0.822 5301 A HN 0.205 nan 8.150 nan 0.000 0.443 5302 V N -0.516 119.392 119.914 -0.010 0.000 2.307 5302 V HA -0.197 3.923 4.120 0.000 0.000 0.245 5302 V C 2.816 178.907 176.094 -0.006 0.000 1.045 5302 V CA 2.273 64.568 62.300 -0.008 0.000 1.024 5302 V CB -0.714 31.105 31.823 -0.007 0.000 0.651 5302 V HN 0.668 nan 8.190 nan 0.000 0.449 5303 S N -0.092 115.606 115.700 -0.004 0.000 2.370 5303 S HA -0.207 4.263 4.470 0.000 0.000 0.226 5303 S C 2.119 176.720 174.600 0.002 0.000 1.033 5303 S CA 1.705 59.905 58.200 -0.001 0.000 1.011 5303 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 5303 S HN 0.616 nan 8.310 nan 0.000 0.457 5304 A N 0.716 123.537 122.820 0.000 0.000 1.933 5304 A HA -0.007 4.313 4.320 0.000 0.000 0.218 5304 A C 2.320 179.907 177.584 0.005 0.000 1.175 5304 A CA 1.862 53.902 52.037 0.004 0.000 0.628 5304 A CB -0.788 18.210 19.000 -0.003 0.000 0.814 5304 A HN 0.987 nan 8.150 nan 0.000 0.444 5305 V N -3.841 116.072 119.914 -0.002 0.000 3.307 5305 V HA 0.090 4.210 4.120 0.000 0.000 0.253 5305 V C 1.996 178.088 176.094 -0.003 0.000 1.149 5305 V CA 1.160 63.458 62.300 -0.004 0.000 1.112 5305 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 5305 V HN 0.171 nan 8.190 nan 0.000 0.464 5306 V N 0.500 120.413 119.914 -0.003 0.000 2.453 5306 V HA -0.032 4.088 4.120 0.000 0.000 0.247 5306 V C 1.626 177.719 176.094 -0.002 0.000 1.048 5306 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 5306 V CB -0.276 31.544 31.823 -0.003 0.000 0.672 5306 V HN 0.810 nan 8.190 nan 0.000 0.457 5307 D N -0.615 119.785 120.400 0.001 0.000 4.438 5307 D HA -0.218 4.422 4.640 0.000 0.000 0.158 5307 D C 0.601 176.899 176.300 -0.004 0.000 0.686 5307 D CA 1.946 55.946 54.000 0.000 0.000 1.183 5307 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 5307 D HN 0.574 nan 8.370 nan 0.000 0.521 5308 D N 1.463 121.859 120.400 -0.007 0.000 2.384 5308 D HA 0.262 4.902 4.640 0.000 0.000 0.244 5308 D C -0.301 175.995 176.300 -0.006 0.000 1.251 5308 D CA 0.308 54.303 54.000 -0.008 0.000 0.961 5308 D CB 0.420 41.214 40.800 -0.010 0.000 1.116 5308 D HN 0.218 nan 8.370 nan 0.000 0.484 5309 E N -0.133 120.063 120.200 -0.006 0.000 2.400 5309 E HA 0.565 4.915 4.350 0.000 0.000 0.232 5309 E C -0.261 176.336 176.600 -0.005 0.000 0.988 5309 E CA -0.657 55.740 56.400 -0.005 0.000 0.823 5309 E CB 0.779 30.477 29.700 -0.004 0.000 1.246 5309 E HN 0.497 nan 8.360 nan 0.000 0.441 5310 G N 1.736 110.533 108.800 -0.005 0.000 2.347 5310 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 5310 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 5310 G C -1.781 173.117 174.900 -0.004 0.000 1.481 5310 G CA -0.815 44.282 45.100 -0.005 0.000 0.914 5310 G HN 0.063 nan 8.290 nan 0.000 0.638 5311 K N 0.312 120.709 120.400 -0.005 0.000 2.550 5311 K HA 0.543 4.863 4.320 0.000 0.000 0.252 5311 K C -1.345 175.252 176.600 -0.005 0.000 0.943 5311 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 5311 K CB 2.197 34.694 32.500 -0.005 0.000 1.289 5311 K HN 0.601 nan 8.250 nan 0.000 0.435 5312 V N 3.324 123.235 119.914 -0.005 0.000 2.370 5312 V HA 0.262 4.382 4.120 0.000 0.000 0.279 5312 V C -0.312 175.779 176.094 -0.006 0.000 1.029 5312 V CA -0.689 61.607 62.300 -0.005 0.000 0.870 5312 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 5312 V HN 0.624 nan 8.190 nan 0.000 0.451 5313 D N 3.812 124.207 120.400 -0.007 0.000 2.453 5313 D HA 0.305 4.945 4.640 0.000 0.000 0.238 5313 D C 0.864 177.158 176.300 -0.010 0.000 1.088 5313 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 5313 D CB 1.598 42.392 40.800 -0.009 0.000 1.076 5313 D HN 0.423 nan 8.370 nan 0.000 0.533 5314 K N 1.964 122.359 120.400 -0.010 0.000 2.360 5314 K HA -0.150 4.170 4.320 0.000 0.000 0.201 5314 K C 0.906 177.498 176.600 -0.014 0.000 1.046 5314 K CA 0.811 57.091 56.287 -0.011 0.000 0.945 5314 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 5314 K HN 0.344 nan 8.250 nan 0.000 0.464 5315 D N 0.783 121.174 120.400 -0.014 0.000 2.310 5315 D HA -0.081 4.559 4.640 0.000 0.000 0.212 5315 D C 1.259 177.546 176.300 -0.022 0.000 0.965 5315 D CA 0.641 54.630 54.000 -0.017 0.000 0.879 5315 D CB 0.137 40.928 40.800 -0.015 0.000 0.921 5315 D HN 0.118 nan 8.370 nan 0.000 0.510 5316 L N -0.155 121.056 121.223 -0.021 0.000 2.554 5316 L HA 0.157 4.497 4.340 0.000 0.000 0.226 5316 L C 0.348 177.201 176.870 -0.029 0.000 1.137 5316 L CA 0.204 55.029 54.840 -0.024 0.000 0.863 5316 L CB 0.077 42.124 42.059 -0.019 0.000 0.985 5316 L HN 0.021 nan 8.230 nan 0.000 0.451 5317 I N 0.651 121.204 120.570 -0.028 0.000 2.390 5317 I HA 0.171 4.341 4.170 0.000 0.000 0.283 5317 I C 0.108 176.204 176.117 -0.035 0.000 1.016 5317 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 5317 I CB 1.416 39.401 38.000 -0.025 0.000 1.293 5317 I HN -0.033 nan 8.210 nan 0.000 0.458 5318 K N 6.814 127.186 120.400 -0.046 0.000 2.276 5318 K HA 0.400 4.720 4.320 0.000 0.000 0.283 5318 K C -0.646 175.925 176.600 -0.049 0.000 1.044 5318 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 5318 K CB 0.875 33.337 32.500 -0.064 0.000 1.012 5318 K HN 0.456 nan 8.250 nan 0.000 0.472 5319 I N 4.325 124.871 120.570 -0.039 0.000 2.307 5319 I HA 0.155 4.325 4.170 0.000 0.000 0.287 5319 I C -0.139 175.958 176.117 -0.033 0.000 1.054 5319 I CA -0.550 60.730 61.300 -0.033 0.000 1.218 5319 I CB 0.684 38.670 38.000 -0.024 0.000 1.398 5319 I HN 0.674 nan 8.210 nan 0.000 0.475 5320 E N 7.301 127.477 120.200 -0.040 0.000 2.216 5320 E HA 0.473 4.823 4.350 0.000 0.000 0.279 5320 E C -0.733 175.857 176.600 -0.016 0.000 0.997 5320 E CA -0.588 55.793 56.400 -0.030 0.000 0.817 5320 E CB 1.045 30.718 29.700 -0.046 0.000 1.096 5320 E HN 0.542 nan 8.360 nan 0.000 0.393 5321 K N 2.884 123.280 120.400 -0.007 0.000 2.541 5321 K HA 0.562 4.882 4.320 0.000 0.000 0.250 5321 K C -1.029 175.574 176.600 0.005 0.000 0.950 5321 K CA -1.086 55.199 56.287 -0.002 0.000 0.805 5321 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 5321 K HN 0.092 nan 8.250 nan 0.000 0.430 5322 K N 2.043 122.452 120.400 0.015 0.000 2.578 5322 K HA 0.197 4.517 4.320 0.000 0.000 0.250 5322 K C -0.895 175.717 176.600 0.019 0.000 0.955 5322 K CA -0.652 55.648 56.287 0.022 0.000 0.825 5322 K CB 2.045 34.570 32.500 0.042 0.000 1.151 5322 K HN 0.776 nan 8.250 nan 0.000 0.432 5323 S N 1.278 116.986 115.700 0.012 0.000 2.568 5323 S HA 0.503 4.973 4.470 0.000 0.000 0.282 5323 S C 0.358 174.969 174.600 0.019 0.000 1.338 5323 S CA 1.270 59.478 58.200 0.014 0.000 1.045 5323 S CB 0.152 63.359 63.200 0.011 0.000 0.873 5323 S HN 0.873 nan 8.310 nan 0.000 0.516 5324 G N 1.675 110.487 108.800 0.020 0.000 2.465 5324 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 5324 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 5324 G C -0.085 174.828 174.900 0.021 0.000 1.340 5324 G CA -0.050 45.062 45.100 0.020 0.000 0.884 5324 G HN 2.157 nan 8.290 nan 0.000 0.650 5325 A N -0.571 122.260 122.820 0.019 0.000 5.953 5325 A HA 0.393 4.713 4.320 0.000 0.000 0.267 5325 A C 1.120 178.715 177.584 0.018 0.000 2.116 5325 A CA 1.933 53.981 52.037 0.018 0.000 0.711 5325 A CB -1.621 17.392 19.000 0.022 0.000 1.100 5325 A HN 2.723 nan 8.150 nan 0.000 0.364 5326 S N -2.789 112.922 115.700 0.018 0.000 2.811 5326 S HA 0.703 5.173 4.470 0.000 0.000 0.311 5326 S C 1.121 175.731 174.600 0.018 0.000 1.152 5326 S CA 0.148 58.358 58.200 0.017 0.000 0.864 5326 S CB 1.307 64.516 63.200 0.015 0.000 1.226 5326 S HN 1.564 nan 8.310 nan 0.000 0.541 5327 I N 1.305 121.885 120.570 0.016 0.000 2.614 5327 I HA -0.093 4.077 4.170 0.000 0.000 0.258 5327 I C 0.876 177.001 176.117 0.014 0.000 1.189 5327 I CA 1.276 62.585 61.300 0.015 0.000 1.462 5327 I CB -0.086 37.923 38.000 0.015 0.000 1.092 5327 I HN 0.585 nan 8.210 nan 0.000 0.442 5328 D N 1.026 121.434 120.400 0.013 0.000 2.178 5328 D HA -0.181 4.459 4.640 0.000 0.000 0.201 5328 D C 1.438 177.746 176.300 0.014 0.000 0.980 5328 D CA 1.305 55.312 54.000 0.012 0.000 0.842 5328 D CB -0.248 40.558 40.800 0.011 0.000 0.948 5328 D HN 0.480 nan 8.370 nan 0.000 0.472 5329 D N -0.523 119.887 120.400 0.017 0.000 2.347 5329 D HA -0.022 4.618 4.640 0.000 0.000 0.215 5329 D C 0.265 176.580 176.300 0.025 0.000 0.976 5329 D CA 0.453 54.467 54.000 0.022 0.000 0.884 5329 D CB -0.003 40.812 40.800 0.025 0.000 0.915 5329 D HN -0.026 nan 8.370 nan 0.000 0.526 5330 T N 1.098 115.663 114.554 0.019 0.000 2.933 5330 T HA 0.170 4.520 4.350 0.000 0.000 0.306 5330 T C 0.122 174.829 174.700 0.012 0.000 1.045 5330 T CA 0.526 62.635 62.100 0.015 0.000 1.143 5330 T CB 0.653 69.527 68.868 0.010 0.000 1.003 5330 T HN 0.038 nan 8.240 nan 0.000 0.540 5331 E N 1.794 121.999 120.200 0.009 0.000 2.390 5331 E HA 0.521 4.871 4.350 0.000 0.000 0.280 5331 E C -1.948 174.644 176.600 -0.013 0.000 0.992 5331 E CA -0.800 55.602 56.400 0.004 0.000 0.790 5331 E CB 1.039 30.750 29.700 0.019 0.000 1.248 5331 E HN 0.349 nan 8.360 nan 0.000 0.447 5332 L N 3.625 124.837 121.223 -0.017 0.000 2.292 5332 L HA 0.599 4.939 4.340 0.000 0.000 0.284 5332 L C -1.140 175.706 176.870 -0.040 0.000 1.065 5332 L CA -0.217 54.603 54.840 -0.033 0.000 0.806 5332 L CB 0.832 42.876 42.059 -0.026 0.000 1.175 5332 L HN 0.577 nan 8.230 nan 0.000 0.431 5333 I N 5.552 126.079 120.570 -0.071 0.000 2.382 5333 I HA 0.304 4.474 4.170 0.000 0.000 0.285 5333 I C -0.136 175.934 176.117 -0.078 0.000 1.007 5333 I CA -0.493 60.757 61.300 -0.083 0.000 1.142 5333 I CB 1.187 39.086 38.000 -0.168 0.000 1.289 5333 I HN 0.315 nan 8.210 nan 0.000 0.453 5334 K N 5.803 126.173 120.400 -0.049 0.000 2.081 5334 K HA 0.516 4.836 4.320 0.000 0.000 0.230 5334 K C 0.459 177.030 176.600 -0.048 0.000 1.199 5334 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 5334 K CB -0.212 32.269 32.500 -0.032 0.000 1.386 5334 K HN 0.968 nan 8.250 nan 0.000 0.280 5335 G N -0.696 108.063 108.800 -0.068 0.000 2.455 5335 G HA2 0.121 4.081 3.960 0.000 0.000 0.223 5335 G HA3 0.121 4.081 3.960 0.000 0.000 0.223 5335 G C -1.637 173.197 174.900 -0.110 0.000 1.226 5335 G CA -0.721 44.336 45.100 -0.072 0.000 0.948 5335 G HN 0.086 nan 8.290 nan 0.000 0.478 5336 V N 0.445 120.284 119.914 -0.125 0.000 2.588 5336 V HA 0.636 4.756 4.120 0.000 0.000 0.304 5336 V C -0.805 175.176 176.094 -0.189 0.000 1.042 5336 V CA -0.627 61.581 62.300 -0.154 0.000 0.877 5336 V CB 1.559 33.290 31.823 -0.153 0.000 0.996 5336 V HN 0.608 nan 8.190 nan 0.000 0.425 5337 L N 5.209 126.287 121.223 -0.242 0.000 2.255 5337 L HA 0.490 4.830 4.340 0.000 0.000 0.289 5337 L C -0.091 176.733 176.870 -0.077 0.000 1.046 5337 L CA 0.166 54.840 54.840 -0.277 0.000 0.816 5337 L CB 1.473 43.244 42.059 -0.480 0.000 1.197 5337 L HN 0.438 nan 8.230 nan 0.000 0.427 5338 V N 2.685 122.622 119.914 0.038 0.000 2.394 5338 V HA 0.237 4.357 4.120 0.000 0.000 0.282 5338 V C 0.118 176.291 176.094 0.133 0.000 1.031 5338 V CA -0.784 61.556 62.300 0.066 0.000 0.881 5338 V CB 1.570 33.450 31.823 0.094 0.000 0.982 5338 V HN 0.781 nan 8.190 nan 0.000 0.451 5339 D N 3.772 124.227 120.400 0.091 0.000 3.085 5339 D HA 0.176 4.816 4.640 0.000 0.000 0.243 5339 D C 0.117 176.471 176.300 0.090 0.000 1.232 5339 D CA -0.256 53.800 54.000 0.092 0.000 0.913 5339 D CB 0.137 40.973 40.800 0.060 0.000 1.108 5339 D HN 0.268 nan 8.370 nan 0.000 0.468 5340 K N 0.458 120.928 120.400 0.117 0.000 2.409 5340 K HA 0.421 4.741 4.320 0.000 0.000 0.252 5340 K C 0.352 177.008 176.600 0.093 0.000 1.036 5340 K CA -0.651 55.700 56.287 0.107 0.000 0.871 5340 K CB 2.264 34.851 32.500 0.146 0.000 1.374 5340 K HN 0.308 nan 8.250 nan 0.000 0.459 5341 E N 0.733 120.970 120.200 0.062 0.000 2.378 5341 E HA 0.394 4.744 4.350 0.000 0.000 0.265 5341 E C -0.683 175.925 176.600 0.014 0.000 0.932 5341 E CA -0.906 55.515 56.400 0.035 0.000 0.795 5341 E CB 1.244 30.957 29.700 0.021 0.000 1.296 5341 E HN 0.217 nan 8.360 nan 0.000 0.438 5342 R N 1.245 121.744 120.500 -0.002 0.000 2.296 5342 R HA 0.108 4.448 4.340 0.000 0.000 0.323 5342 R C 1.362 177.653 176.300 -0.015 0.000 1.067 5342 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 5342 R CB 0.460 30.746 30.300 -0.023 0.000 0.991 5342 R HN 0.559 nan 8.270 nan 0.000 0.448 5343 V N -0.044 119.857 119.914 -0.022 0.000 2.720 5343 V HA -0.075 4.045 4.120 0.000 0.000 0.256 5343 V C 0.904 176.999 176.094 0.002 0.000 1.082 5343 V CA 1.077 63.371 62.300 -0.011 0.000 1.101 5343 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 5343 V HN 0.524 nan 8.190 nan 0.000 0.479 5344 S N -1.004 114.697 115.700 0.001 0.000 2.526 5344 S HA 0.773 5.244 4.470 0.000 0.000 0.293 5344 S C 0.843 175.443 174.600 -0.000 0.000 1.092 5344 S CA -0.120 58.087 58.200 0.012 0.000 0.980 5344 S CB 1.874 65.090 63.200 0.026 0.000 1.048 5344 S HN 0.710 nan 8.310 nan 0.000 0.483 5345 A N 3.264 126.083 122.820 -0.001 0.000 2.070 5345 A HA -0.043 4.277 4.320 0.000 0.000 0.220 5345 A C 1.776 179.352 177.584 -0.013 0.000 1.159 5345 A CA 1.259 53.290 52.037 -0.009 0.000 0.656 5345 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 5345 A HN 0.899 nan 8.150 nan 0.000 0.453 5346 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 5346 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 5346 Q C 0.212 176.206 176.000 -0.010 0.000 0.933 5346 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 5346 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 5346 Q HN 0.658 nan 8.270 nan 0.000 0.511 5347 M N 1.516 121.110 119.600 -0.010 0.000 2.250 5347 M HA 0.222 4.703 4.480 0.000 0.000 0.344 5347 M C -2.138 174.153 176.300 -0.014 0.000 1.150 5347 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 5347 M CB 0.389 32.977 32.600 -0.020 0.000 1.498 5347 M HN -0.192 nan 8.290 nan 0.000 0.461 5348 P HA -0.021 nan 4.420 nan 0.000 0.269 5348 P C -0.156 177.135 177.300 -0.014 0.000 1.211 5348 P CA 0.055 63.148 63.100 -0.012 0.000 0.781 5348 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 5349 K N 1.030 121.422 120.400 -0.013 0.000 2.379 5349 K HA 0.056 4.376 4.320 0.000 0.000 0.194 5349 K C 0.486 177.079 176.600 -0.012 0.000 1.031 5349 K CA 0.809 57.086 56.287 -0.016 0.000 1.037 5349 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 5349 K HN 0.577 nan 8.250 nan 0.000 0.516 5350 K N -0.779 119.618 120.400 -0.005 0.000 2.557 5350 K HA 0.381 4.702 4.320 0.000 0.000 0.257 5350 K C -1.259 175.346 176.600 0.008 0.000 0.933 5350 K CA -0.733 55.556 56.287 0.005 0.000 0.820 5350 K CB 1.986 34.487 32.500 0.002 0.000 1.330 5350 K HN -0.285 nan 8.250 nan 0.000 0.432 5351 V N 2.044 121.969 119.914 0.019 0.000 2.483 5351 V HA 0.429 4.549 4.120 0.000 0.000 0.297 5351 V C -0.284 175.827 176.094 0.027 0.000 1.027 5351 V CA -0.527 61.784 62.300 0.019 0.000 0.855 5351 V CB 1.837 33.670 31.823 0.017 0.000 0.995 5351 V HN 0.998 nan 8.190 nan 0.000 0.424 5352 T N 0.077 114.644 114.554 0.021 0.000 2.929 5352 T HA 0.541 4.891 4.350 0.000 0.000 0.284 5352 T C 0.124 174.837 174.700 0.021 0.000 1.014 5352 T CA -0.276 61.837 62.100 0.022 0.000 1.051 5352 T CB 1.297 70.175 68.868 0.016 0.000 1.028 5352 T HN 0.769 nan 8.240 nan 0.000 0.485 5353 D N 0.336 120.748 120.400 0.022 0.000 2.689 5353 D HA -0.153 4.487 4.640 0.000 0.000 0.237 5353 D C 0.301 176.616 176.300 0.026 0.000 1.148 5353 D CA 0.840 54.852 54.000 0.020 0.000 0.656 5353 D CB -1.252 39.557 40.800 0.015 0.000 1.050 5353 D HN 1.103 nan 8.370 nan 0.000 0.426 5354 A N 1.406 124.247 122.820 0.035 0.000 2.477 5354 A HA 0.377 4.697 4.320 0.000 0.000 0.246 5354 A C 0.542 178.153 177.584 0.046 0.000 1.078 5354 A CA 0.145 52.208 52.037 0.044 0.000 0.770 5354 A CB 0.595 19.633 19.000 0.064 0.000 1.011 5354 A HN 0.156 nan 8.150 nan 0.000 0.494 5355 K N 3.180 123.606 120.400 0.043 0.000 2.347 5355 K HA 0.400 4.720 4.320 0.000 0.000 0.262 5355 K C -0.940 175.695 176.600 0.058 0.000 1.052 5355 K CA 0.158 56.471 56.287 0.044 0.000 0.946 5355 K CB 0.927 33.445 32.500 0.031 0.000 1.220 5355 K HN 0.638 nan 8.250 nan 0.000 0.450 5356 I N 2.034 122.655 120.570 0.083 0.000 2.353 5356 I HA 0.287 4.457 4.170 0.000 0.000 0.293 5356 I C 0.273 176.459 176.117 0.114 0.000 0.992 5356 I CA -0.656 60.724 61.300 0.133 0.000 1.268 5356 I CB 1.588 39.707 38.000 0.199 0.000 1.387 5356 I HN 0.433 nan 8.210 nan 0.000 0.478 5357 A N 7.675 130.566 122.820 0.119 0.000 2.337 5357 A HA 0.840 5.160 4.320 0.000 0.000 0.329 5357 A C -0.778 176.891 177.584 0.143 0.000 1.146 5357 A CA -0.545 51.550 52.037 0.097 0.000 0.800 5357 A CB 0.934 19.968 19.000 0.057 0.000 1.220 5357 A HN 0.703 nan 8.150 nan 0.000 0.472 5358 L N 3.151 124.439 121.223 0.107 0.000 2.345 5358 L HA 0.419 4.759 4.340 0.000 0.000 0.274 5358 L C -0.980 175.933 176.870 0.072 0.000 0.999 5358 L CA -0.090 54.815 54.840 0.108 0.000 0.849 5358 L CB 1.026 43.130 42.059 0.075 0.000 1.220 5358 L HN 0.564 nan 8.230 nan 0.000 0.422 5359 L N 3.352 124.620 121.223 0.075 0.000 2.307 5359 L HA 0.381 4.721 4.340 0.000 0.000 0.284 5359 L C 0.721 177.620 176.870 0.049 0.000 1.023 5359 L CA -0.502 54.368 54.840 0.051 0.000 0.810 5359 L CB 1.761 43.845 42.059 0.043 0.000 1.231 5359 L HN 0.623 nan 8.230 nan 0.000 0.423 5360 N N 0.747 119.468 118.700 0.035 0.000 2.322 5360 N HA -0.021 4.719 4.740 0.000 0.000 0.181 5360 N C 0.444 175.969 175.510 0.025 0.000 1.088 5360 N CA -0.277 52.791 53.050 0.030 0.000 0.885 5360 N CB -0.304 38.197 38.487 0.023 0.000 1.013 5360 N HN 0.586 nan 8.380 nan 0.000 0.472 5361 C N 0.243 119.557 119.300 0.022 0.000 2.595 5361 C HA 0.849 5.309 4.460 0.000 0.000 0.384 5361 C C 0.949 175.950 174.990 0.019 0.000 1.289 5361 C CA -1.450 57.579 59.018 0.018 0.000 2.372 5361 C CB -0.178 27.571 27.740 0.015 0.000 2.593 5361 C HN 0.479 nan 8.230 nan 0.000 0.639 5362 A N 2.433 125.262 122.820 0.015 0.000 2.401 5362 A HA 0.596 4.916 4.320 0.000 0.000 0.259 5362 A C 0.040 177.631 177.584 0.012 0.000 1.103 5362 A CA -0.515 51.530 52.037 0.014 0.000 0.789 5362 A CB -0.162 18.845 19.000 0.011 0.000 1.035 5362 A HN 0.879 nan 8.150 nan 0.000 0.491 5363 I N 2.836 123.412 120.570 0.011 0.000 2.317 5363 I HA 0.266 4.436 4.170 0.000 0.000 0.286 5363 I C -0.285 175.837 176.117 0.009 0.000 1.119 5363 I CA -0.061 61.245 61.300 0.011 0.000 1.228 5363 I CB -0.209 37.798 38.000 0.011 0.000 1.476 5363 I HN 0.828 nan 8.210 nan 0.000 0.514 5364 E N 3.912 124.118 120.200 0.010 0.000 2.445 5364 E HA 0.544 4.894 4.350 0.000 0.000 0.273 5364 E C -0.694 175.916 176.600 0.016 0.000 0.961 5364 E CA -1.045 55.361 56.400 0.010 0.000 0.807 5364 E CB 1.128 30.830 29.700 0.004 0.000 1.362 5364 E HN 0.095 nan 8.360 nan 0.000 0.453 5365 I N 1.466 122.048 120.570 0.020 0.000 2.705 5365 I HA 0.071 4.241 4.170 0.000 0.000 0.291 5365 I C 0.209 176.337 176.117 0.019 0.000 1.146 5365 I CA 0.114 61.429 61.300 0.025 0.000 1.383 5365 I CB -0.732 37.287 38.000 0.032 0.000 1.454 5365 I HN 0.375 nan 8.210 nan 0.000 0.581 5366 K N 7.157 127.567 120.400 0.017 0.000 2.412 5366 K HA 0.143 4.463 4.320 0.000 0.000 0.281 5366 K C -0.034 176.577 176.600 0.017 0.000 1.027 5366 K CA 0.049 56.345 56.287 0.014 0.000 0.989 5366 K CB 0.407 32.914 32.500 0.012 0.000 0.935 5366 K HN 0.688 nan 8.250 nan 0.000 0.475 5367 E N 1.643 121.851 120.200 0.013 0.000 2.227 5367 E HA 0.251 4.601 4.350 0.000 0.000 0.268 5367 E C -0.746 175.861 176.600 0.010 0.000 0.907 5367 E CA -1.110 55.298 56.400 0.013 0.000 0.786 5367 E CB 1.371 31.076 29.700 0.008 0.000 1.191 5367 E HN 0.487 nan 8.360 nan 0.000 0.411 5368 T N 1.059 115.620 114.554 0.011 0.000 2.906 5368 T HA -0.038 4.312 4.350 0.000 0.000 0.320 5368 T C 0.729 175.433 174.700 0.006 0.000 1.088 5368 T CA 0.145 62.251 62.100 0.009 0.000 1.120 5368 T CB 0.513 69.388 68.868 0.011 0.000 1.000 5368 T HN 0.590 nan 8.240 nan 0.000 0.550 5369 E N 1.372 121.576 120.200 0.006 0.000 2.153 5369 E HA 0.020 4.370 4.350 0.000 0.000 0.194 5369 E C 1.270 177.871 176.600 0.003 0.000 0.988 5369 E CA 1.275 57.677 56.400 0.004 0.000 0.811 5369 E CB -0.333 29.370 29.700 0.004 0.000 0.746 5369 E HN 0.868 nan 8.360 nan 0.000 0.466 5370 T N -0.709 113.847 114.554 0.003 0.000 2.868 5370 T HA 0.095 4.445 4.350 0.000 0.000 0.292 5370 T C 0.207 174.907 174.700 0.000 0.000 1.028 5370 T CA -0.915 61.187 62.100 0.002 0.000 1.059 5370 T CB 1.072 69.942 68.868 0.004 0.000 0.991 5370 T HN -0.174 nan 8.240 nan 0.000 0.531 5371 D N 1.068 121.468 120.400 -0.001 0.000 2.382 5371 D HA 0.431 5.071 4.640 0.000 0.000 0.259 5371 D C -0.345 175.952 176.300 -0.005 0.000 1.224 5371 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 5371 D CB -0.152 40.646 40.800 -0.005 0.000 1.127 5371 D HN 0.938 nan 8.370 nan 0.000 0.487 5372 A N 3.704 126.519 122.820 -0.009 0.000 2.587 5372 A HA 0.724 5.044 4.320 0.000 0.000 0.293 5372 A C -1.061 176.507 177.584 -0.026 0.000 1.087 5372 A CA -0.803 51.227 52.037 -0.012 0.000 0.692 5372 A CB 1.497 20.495 19.000 -0.003 0.000 1.291 5372 A HN 0.614 nan 8.150 nan 0.000 0.407 5373 E N 0.491 120.667 120.200 -0.040 0.000 2.392 5373 E HA 0.593 4.943 4.350 0.000 0.000 0.279 5373 E C -1.598 174.932 176.600 -0.118 0.000 0.964 5373 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 5373 E CB 1.088 30.749 29.700 -0.065 0.000 1.249 5373 E HN 0.317 nan 8.360 nan 0.000 0.449 5374 I N 1.796 122.242 120.570 -0.207 0.000 2.556 5374 I HA 0.101 4.271 4.170 0.000 0.000 0.284 5374 I C 0.175 176.088 176.117 -0.339 0.000 1.114 5374 I CA 0.001 61.046 61.300 -0.425 0.000 1.418 5374 I CB 0.291 37.860 38.000 -0.717 0.000 1.394 5374 I HN 0.343 nan 8.210 nan 0.000 0.552 5375 R N 7.057 127.388 120.500 -0.282 0.000 2.332 5375 R HA 0.381 4.721 4.340 0.000 0.000 0.306 5375 R C -0.675 175.592 176.300 -0.056 0.000 1.117 5375 R CA -0.861 55.169 56.100 -0.117 0.000 1.108 5375 R CB 0.381 30.665 30.300 -0.027 0.000 1.126 5375 R HN 0.418 nan 8.270 nan 0.000 0.548 5376 I N 2.689 123.212 120.570 -0.079 0.000 2.648 5376 I HA -0.050 4.120 4.170 0.000 0.000 0.284 5376 I C 1.708 177.867 176.117 0.071 0.000 1.153 5376 I CA 0.790 62.113 61.300 0.038 0.000 1.426 5376 I CB 0.640 38.644 38.000 0.008 0.000 1.381 5376 I HN 0.536 nan 8.210 nan 0.000 0.571 5377 T N -0.121 114.503 114.554 0.117 0.000 2.975 5377 T HA 0.218 4.568 4.350 0.000 0.000 0.261 5377 T C 0.241 174.978 174.700 0.062 0.000 0.984 5377 T CA -0.231 61.915 62.100 0.078 0.000 0.911 5377 T CB 0.748 69.665 68.868 0.081 0.000 1.127 5377 T HN 0.615 nan 8.240 nan 0.000 0.514 5378 D N 0.463 120.907 120.400 0.074 0.000 2.769 5378 D HA 0.275 4.915 4.640 0.000 0.000 0.219 5378 D C -2.559 173.777 176.300 0.059 0.000 1.245 5378 D CA -1.479 52.553 54.000 0.053 0.000 0.801 5378 D CB 2.540 43.365 40.800 0.041 0.000 1.598 5378 D HN -0.325 nan 8.370 nan 0.000 0.485 5379 P HA -0.134 nan 4.420 nan 0.000 0.218 5379 P C 0.949 178.275 177.300 0.043 0.000 1.146 5379 P CA 1.607 64.731 63.100 0.040 0.000 0.820 5379 P CB 0.303 32.019 31.700 0.027 0.000 0.778 5380 A N -0.621 122.221 122.820 0.037 0.000 1.873 5380 A HA -0.181 4.139 4.320 0.000 0.000 0.215 5380 A C 2.128 179.736 177.584 0.039 0.000 1.186 5380 A CA 1.725 53.779 52.037 0.029 0.000 0.616 5380 A CB -0.938 18.070 19.000 0.014 0.000 0.823 5380 A HN 0.027 nan 8.150 nan 0.000 0.442 5381 K N -0.524 119.911 120.400 0.059 0.000 2.152 5381 K HA -0.078 4.242 4.320 0.000 0.000 0.206 5381 K C 1.700 178.449 176.600 0.247 0.000 1.048 5381 K CA 0.962 57.307 56.287 0.097 0.000 0.933 5381 K CB -0.520 32.074 32.500 0.156 0.000 0.721 5381 K HN 0.397 nan 8.250 nan 0.000 0.447 5382 L N 0.166 121.506 121.223 0.195 0.000 2.043 5382 L HA -0.200 4.140 4.340 0.000 0.000 0.212 5382 L C 1.749 178.718 176.870 0.165 0.000 1.075 5382 L CA 1.823 56.771 54.840 0.179 0.000 0.752 5382 L CB -0.263 41.851 42.059 0.092 0.000 0.891 5382 L HN 0.215 nan 8.230 nan 0.000 0.432 5383 M N -1.287 118.377 119.600 0.108 0.000 2.236 5383 M HA -0.111 4.369 4.480 0.000 0.000 0.266 5383 M C 2.211 178.548 176.300 0.061 0.000 1.070 5383 M CA 1.279 56.623 55.300 0.074 0.000 1.137 5383 M CB -1.092 31.535 32.600 0.044 0.000 1.378 5383 M HN 0.395 nan 8.290 nan 0.000 0.426 5384 E N 0.067 120.283 120.200 0.026 0.000 2.085 5384 E HA -0.189 4.161 4.350 0.000 0.000 0.194 5384 E C 1.900 178.446 176.600 -0.090 0.000 0.994 5384 E CA 1.282 57.641 56.400 -0.068 0.000 0.801 5384 E CB -0.040 29.562 29.700 -0.164 0.000 0.743 5384 E HN 0.384 nan 8.360 nan 0.000 0.453 5385 F N 0.494 120.449 119.950 0.010 0.000 2.134 5385 F HA -0.140 4.387 4.527 0.000 0.000 0.299 5385 F C 2.212 178.021 175.800 0.014 0.000 1.097 5385 F CA 0.934 58.940 58.000 0.010 0.000 1.264 5385 F CB -0.068 38.938 39.000 0.009 0.000 1.001 5385 F HN 0.055 nan 8.300 nan 0.000 0.479 5386 I N -0.319 120.374 120.570 0.205 0.000 2.226 5386 I HA -0.232 3.938 4.170 0.000 0.000 0.245 5386 I C 2.254 178.427 176.117 0.093 0.000 1.100 5386 I CA 1.141 62.517 61.300 0.127 0.000 1.374 5386 I CB -0.371 37.687 38.000 0.096 0.000 1.057 5386 I HN 0.095 nan 8.210 nan 0.000 0.413 5387 E N 0.278 120.519 120.200 0.069 0.000 2.150 5387 E HA -0.257 4.093 4.350 0.000 0.000 0.193 5387 E C 2.018 178.636 176.600 0.030 0.000 0.985 5387 E CA 0.974 57.401 56.400 0.045 0.000 0.814 5387 E CB -0.201 29.513 29.700 0.023 0.000 0.752 5387 E HN 0.433 nan 8.360 nan 0.000 0.466 5388 Q N 1.201 121.011 119.800 0.017 0.000 2.084 5388 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 5388 Q C 1.826 177.844 176.000 0.029 0.000 0.978 5388 Q CA 1.357 57.159 55.803 -0.002 0.000 0.844 5388 Q CB 0.039 28.753 28.738 -0.041 0.000 0.898 5388 Q HN 0.095 nan 8.270 nan 0.000 0.426 5389 E N 0.219 120.460 120.200 0.067 0.000 2.150 5389 E HA -0.149 4.201 4.350 0.000 0.000 0.193 5389 E C 1.823 178.462 176.600 0.065 0.000 0.985 5389 E CA 0.885 57.327 56.400 0.070 0.000 0.814 5389 E CB 0.000 29.754 29.700 0.089 0.000 0.752 5389 E HN 0.487 nan 8.360 nan 0.000 0.466 5390 E N 0.924 121.174 120.200 0.082 0.000 2.072 5390 E HA -0.162 4.188 4.350 0.000 0.000 0.191 5390 E C 2.024 178.635 176.600 0.018 0.000 0.985 5390 E CA 0.738 57.213 56.400 0.125 0.000 0.801 5390 E CB -0.147 29.645 29.700 0.153 0.000 0.750 5390 E HN 0.222 nan 8.360 nan 0.000 0.452 5391 K N 0.507 120.899 120.400 -0.014 0.000 2.057 5391 K HA -0.092 4.228 4.320 0.000 0.000 0.207 5391 K C 2.282 178.821 176.600 -0.102 0.000 1.049 5391 K CA 1.074 57.318 56.287 -0.072 0.000 0.931 5391 K CB -0.044 32.431 32.500 -0.042 0.000 0.714 5391 K HN 0.014 nan 8.250 nan 0.000 0.440 5392 M N 0.428 119.995 119.600 -0.055 0.000 2.065 5392 M HA -0.212 4.268 4.480 0.000 0.000 0.259 5392 M C 2.214 178.467 176.300 -0.079 0.000 1.069 5392 M CA 1.389 56.660 55.300 -0.047 0.000 1.110 5392 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 5392 M HN 0.191 nan 8.290 nan 0.000 0.405 5393 L N 0.224 121.398 121.223 -0.082 0.000 2.109 5393 L HA -0.095 4.245 4.340 0.000 0.000 0.207 5393 L C 2.278 178.971 176.870 -0.296 0.000 1.086 5393 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 5393 L CB -0.619 41.475 42.059 0.058 0.000 0.910 5393 L HN 0.173 nan 8.230 nan 0.000 0.437 5394 K N -0.665 119.353 120.400 -0.638 0.000 2.063 5394 K HA -0.204 4.116 4.320 0.000 0.000 0.208 5394 K C 1.590 177.958 176.600 -0.386 0.000 1.048 5394 K CA 1.820 57.546 56.287 -0.934 0.000 0.928 5394 K CB -0.060 31.908 32.500 -0.886 0.000 0.713 5394 K HN 0.336 nan 8.250 nan 0.000 0.442 5395 D N 0.367 120.625 120.400 -0.237 0.000 2.144 5395 D HA -0.129 4.512 4.640 0.000 0.000 0.200 5395 D C 1.906 178.148 176.300 -0.096 0.000 0.978 5395 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 5395 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 5395 D HN 0.295 nan 8.370 nan 0.000 0.470 5396 M N 0.031 119.575 119.600 -0.093 0.000 2.080 5396 M HA -0.155 4.325 4.480 0.000 0.000 0.260 5396 M C 2.275 178.551 176.300 -0.040 0.000 1.068 5396 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 5396 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 5396 M HN -0.103 nan 8.290 nan 0.000 0.405 5397 V N 0.194 120.076 119.914 -0.054 0.000 2.427 5397 V HA -0.200 3.920 4.120 0.000 0.000 0.248 5397 V C 2.590 178.671 176.094 -0.022 0.000 1.051 5397 V CA 1.804 64.092 62.300 -0.019 0.000 1.048 5397 V CB -1.117 30.717 31.823 0.018 0.000 0.666 5397 V HN 0.521 nan 8.190 nan 0.000 0.456 5398 A N -0.429 122.361 122.820 -0.051 0.000 1.978 5398 A HA -0.200 4.121 4.320 0.000 0.000 0.220 5398 A C 2.189 179.758 177.584 -0.024 0.000 1.170 5398 A CA 1.616 53.631 52.037 -0.037 0.000 0.636 5398 A CB -0.318 18.649 19.000 -0.056 0.000 0.810 5398 A HN 0.536 nan 8.150 nan 0.000 0.448 5399 E N -0.120 120.065 120.200 -0.025 0.000 2.107 5399 E HA -0.073 4.277 4.350 0.000 0.000 0.191 5399 E C 1.979 178.575 176.600 -0.007 0.000 0.982 5399 E CA 0.834 57.225 56.400 -0.015 0.000 0.809 5399 E CB -0.358 29.332 29.700 -0.016 0.000 0.756 5399 E HN 0.742 nan 8.360 nan 0.000 0.459 5400 I N 1.349 121.916 120.570 -0.005 0.000 2.226 5400 I HA -0.247 3.923 4.170 0.000 0.000 0.245 5400 I C 2.635 178.754 176.117 0.004 0.000 1.100 5400 I CA 1.039 62.340 61.300 0.002 0.000 1.374 5400 I CB -0.256 37.746 38.000 0.004 0.000 1.057 5400 I HN -0.020 nan 8.210 nan 0.000 0.413 5401 K N 1.663 122.065 120.400 0.002 0.000 2.057 5401 K HA -0.141 4.179 4.320 0.000 0.000 0.207 5401 K C 2.125 178.727 176.600 0.003 0.000 1.049 5401 K CA 1.758 58.047 56.287 0.004 0.000 0.931 5401 K CB -0.241 32.263 32.500 0.005 0.000 0.714 5401 K HN 0.296 nan 8.250 nan 0.000 0.440 5402 A N 0.623 123.443 122.820 -0.000 0.000 2.019 5402 A HA -0.107 4.213 4.320 0.000 0.000 0.219 5402 A C 2.202 179.787 177.584 0.003 0.000 1.164 5402 A CA 1.960 53.997 52.037 -0.000 0.000 0.644 5402 A CB -0.467 18.531 19.000 -0.004 0.000 0.805 5402 A HN 0.379 nan 8.150 nan 0.000 0.449 5403 S N -1.720 113.983 115.700 0.005 0.000 2.419 5403 S HA 0.205 4.675 4.470 0.000 0.000 0.233 5403 S C 1.648 176.254 174.600 0.011 0.000 1.016 5403 S CA 1.304 59.508 58.200 0.008 0.000 0.974 5403 S CB -0.200 63.007 63.200 0.010 0.000 0.786 5403 S HN 1.674 nan 8.310 nan 0.000 0.492 5404 G N 0.668 109.474 108.800 0.010 0.000 2.179 5404 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 5404 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 5404 G C 0.135 175.043 174.900 0.014 0.000 0.990 5404 G CA -0.124 44.983 45.100 0.011 0.000 0.646 5404 G HN 0.859 nan 8.290 nan 0.000 0.517 5405 A N 0.510 123.339 122.820 0.014 0.000 2.425 5405 A HA 0.597 4.917 4.320 0.000 0.000 0.249 5405 A C 1.082 178.671 177.584 0.008 0.000 1.084 5405 A CA 1.038 53.084 52.037 0.016 0.000 0.781 5405 A CB 0.255 19.265 19.000 0.017 0.000 1.019 5405 A HN 1.218 nan 8.150 nan 0.000 0.490 5406 N N 0.051 118.755 118.700 0.007 0.000 2.067 5406 N HA 0.113 4.853 4.740 0.000 0.000 0.227 5406 N C -0.856 174.640 175.510 -0.022 0.000 1.348 5406 N CA 0.210 53.258 53.050 -0.004 0.000 0.879 5406 N CB 0.311 38.800 38.487 0.003 0.000 1.109 5406 N HN 0.260 nan 8.380 nan 0.000 0.501 5407 V N 1.621 121.523 119.914 -0.021 0.000 2.540 5407 V HA 0.619 4.739 4.120 0.000 0.000 0.302 5407 V C -1.261 174.778 176.094 -0.092 0.000 1.035 5407 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 5407 V CB 1.879 33.701 31.823 -0.002 0.000 0.992 5407 V HN 0.217 nan 8.190 nan 0.000 0.428 5408 L N 5.292 126.367 121.223 -0.247 0.000 2.438 5408 L HA 0.732 5.072 4.340 0.000 0.000 0.270 5408 L C -1.659 174.977 176.870 -0.391 0.000 0.972 5408 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 5408 L CB 1.731 43.735 42.059 -0.090 0.000 1.273 5408 L HN 0.466 nan 8.230 nan 0.000 0.405 5409 F N 4.557 124.517 119.950 0.017 0.000 2.449 5409 F HA 0.558 5.085 4.527 -0.000 0.000 0.342 5409 F C 0.005 175.813 175.800 0.013 0.000 1.127 5409 F CA -0.411 57.599 58.000 0.016 0.000 0.975 5409 F CB 1.702 40.712 39.000 0.016 0.000 1.146 5409 F HN 0.564 nan 8.300 nan 0.000 0.444 5410 C N 4.737 124.130 119.300 0.154 0.000 2.322 5410 C HA 0.276 4.736 4.460 0.000 0.000 0.324 5410 C C 1.523 176.570 174.990 0.096 0.000 1.284 5410 C CA -0.418 58.658 59.018 0.096 0.000 1.606 5410 C CB 0.979 28.749 27.740 0.049 0.000 2.251 5410 C HN 0.958 nan 8.230 nan 0.000 0.502 5411 Q N 3.106 122.951 119.800 0.074 0.000 2.119 5411 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 5411 Q C 0.819 176.845 176.000 0.042 0.000 0.972 5411 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 5411 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 5411 Q HN 0.756 nan 8.270 nan 0.000 0.433 5412 K N -1.069 119.353 120.400 0.036 0.000 2.520 5412 K HA 0.416 4.737 4.320 0.000 0.000 0.256 5412 K C 0.327 176.942 176.600 0.025 0.000 1.033 5412 K CA -0.183 56.120 56.287 0.026 0.000 1.007 5412 K CB 0.069 32.581 32.500 0.020 0.000 1.330 5412 K HN 0.102 nan 8.250 nan 0.000 0.507 5413 G N 0.351 109.161 108.800 0.017 0.000 2.569 5413 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 5413 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 5413 G C -0.486 174.417 174.900 0.006 0.000 1.216 5413 G CA -0.498 44.608 45.100 0.010 0.000 0.845 5413 G HN 0.367 nan 8.290 nan 0.000 0.568 5414 I N 0.919 121.488 120.570 -0.003 0.000 2.439 5414 I HA 0.150 4.320 4.170 0.000 0.000 0.285 5414 I C -0.410 175.688 176.117 -0.031 0.000 1.021 5414 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 5414 I CB 1.935 39.926 38.000 -0.014 0.000 1.242 5414 I HN 0.422 nan 8.210 nan 0.000 0.439 5415 D N 5.228 125.608 120.400 -0.034 0.000 2.455 5415 D HA -0.054 4.586 4.640 0.000 0.000 0.241 5415 D C 0.668 176.890 176.300 -0.130 0.000 1.138 5415 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 5415 D CB 1.314 42.089 40.800 -0.041 0.000 1.187 5415 D HN 0.480 nan 8.370 nan 0.000 0.451 5416 D N 2.860 123.151 120.400 -0.182 0.000 2.172 5416 D HA -0.202 4.438 4.640 0.000 0.000 0.196 5416 D C 1.746 177.554 176.300 -0.820 0.000 0.999 5416 D CA 0.668 54.446 54.000 -0.370 0.000 0.856 5416 D CB 0.005 40.641 40.800 -0.273 0.000 0.934 5416 D HN 0.372 nan 8.370 nan 0.000 0.453 5417 L N 0.621 121.525 121.223 -0.532 0.000 2.083 5417 L HA -0.071 4.269 4.340 0.000 0.000 0.209 5417 L C 2.105 178.855 176.870 -0.199 0.000 1.083 5417 L CA 1.725 56.312 54.840 -0.423 0.000 0.752 5417 L CB -0.697 41.305 42.059 -0.095 0.000 0.899 5417 L HN -0.012 nan 8.230 nan 0.000 0.433 5418 A N -1.175 121.609 122.820 -0.061 0.000 1.930 5418 A HA -0.241 4.079 4.320 0.000 0.000 0.217 5418 A C 2.167 179.769 177.584 0.030 0.000 1.175 5418 A CA 1.694 53.776 52.037 0.074 0.000 0.627 5418 A CB -0.536 18.487 19.000 0.038 0.000 0.815 5418 A HN 0.651 nan 8.150 nan 0.000 0.443 5419 Q N -1.054 118.698 119.800 -0.081 0.000 2.170 5419 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 5419 Q C 1.786 177.814 176.000 0.047 0.000 0.976 5419 Q CA 1.562 57.346 55.803 -0.033 0.000 0.858 5419 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 5419 Q HN 0.891 nan 8.270 nan 0.000 0.433 5420 H N -1.341 117.670 119.070 -0.098 0.000 2.389 5420 H HA -0.124 4.432 4.556 0.000 0.000 0.299 5420 H C 1.307 176.520 175.328 -0.192 0.000 1.081 5420 H CA 1.031 56.963 56.048 -0.194 0.000 1.345 5420 H CB 0.108 29.669 29.762 -0.335 0.000 1.393 5420 H HN 0.305 nan 8.280 nan 0.000 0.520 5421 Y N 0.383 120.749 120.300 0.109 0.000 2.365 5421 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 5421 Y C 2.404 178.322 175.900 0.029 0.000 1.119 5421 Y CA 0.085 58.218 58.100 0.054 0.000 1.203 5421 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 5421 Y HN 0.072 nan 8.280 nan 0.000 0.549 5422 L N -0.615 120.708 121.223 0.166 0.000 2.083 5422 L HA -0.246 4.094 4.340 0.000 0.000 0.209 5422 L C 2.649 179.552 176.870 0.055 0.000 1.083 5422 L CA 1.069 55.959 54.840 0.083 0.000 0.752 5422 L CB -0.630 41.455 42.059 0.044 0.000 0.899 5422 L HN 0.240 nan 8.230 nan 0.000 0.433 5423 A N -0.164 122.688 122.820 0.053 0.000 1.969 5423 A HA -0.238 4.082 4.320 0.000 0.000 0.218 5423 A C 2.372 179.975 177.584 0.032 0.000 1.169 5423 A CA 1.697 53.752 52.037 0.031 0.000 0.635 5423 A CB -0.384 18.630 19.000 0.023 0.000 0.810 5423 A HN 0.322 nan 8.150 nan 0.000 0.445 5424 K N -0.366 120.068 120.400 0.058 0.000 2.097 5424 K HA -0.145 4.175 4.320 0.000 0.000 0.206 5424 K C 1.031 177.659 176.600 0.047 0.000 1.049 5424 K CA 1.512 57.835 56.287 0.060 0.000 0.933 5424 K CB -0.002 32.565 32.500 0.112 0.000 0.717 5424 K HN 0.353 nan 8.250 nan 0.000 0.442 5425 E N -0.760 119.469 120.200 0.048 0.000 2.474 5425 E HA 0.059 4.409 4.350 0.000 0.000 0.195 5425 E C 0.603 177.214 176.600 0.018 0.000 1.039 5425 E CA 0.629 57.048 56.400 0.031 0.000 0.881 5425 E CB 0.880 30.599 29.700 0.031 0.000 0.970 5425 E HN 0.540 nan 8.360 nan 0.000 0.486 5426 G N 2.117 110.926 108.800 0.016 0.000 2.176 5426 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 5426 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 5426 G C 0.231 175.129 174.900 -0.002 0.000 1.024 5426 G CA 0.107 45.210 45.100 0.005 0.000 0.755 5426 G HN 0.273 nan 8.290 nan 0.000 0.507 5427 I N 0.994 121.563 120.570 -0.002 0.000 2.352 5427 I HA 0.378 4.548 4.170 0.000 0.000 0.290 5427 I C 1.125 177.220 176.117 -0.037 0.000 1.036 5427 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 5427 I CB 1.374 39.367 38.000 -0.011 0.000 1.407 5427 I HN 0.165 nan 8.210 nan 0.000 0.497 5428 V N 4.069 123.946 119.914 -0.061 0.000 2.546 5428 V HA 0.889 5.009 4.120 0.000 0.000 0.284 5428 V C 0.116 176.108 176.094 -0.170 0.000 1.050 5428 V CA -0.215 62.029 62.300 -0.093 0.000 0.981 5428 V CB 1.118 32.889 31.823 -0.088 0.000 0.990 5428 V HN 0.830 nan 8.190 nan 0.000 0.474 5429 A N 3.708 126.424 122.820 -0.174 0.000 2.539 5429 A HA 1.020 5.340 4.320 0.000 0.000 0.296 5429 A C -0.356 177.101 177.584 -0.212 0.000 1.073 5429 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 5429 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 5429 A HN 2.417 nan 8.150 nan 0.000 0.405 5430 A N 1.524 124.192 122.820 -0.253 0.000 2.381 5430 A HA 0.740 5.060 4.320 0.000 0.000 0.299 5430 A C -0.093 177.498 177.584 0.012 0.000 1.049 5430 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 5430 A CB 0.924 19.924 19.000 -0.002 0.000 1.222 5430 A HN 1.276 nan 8.150 nan 0.000 0.428 5431 R N 2.019 122.536 120.500 0.029 0.000 2.602 5431 R HA 0.696 5.036 4.340 0.000 0.000 0.237 5431 R C 0.374 176.711 176.300 0.062 0.000 1.219 5431 R CA -0.153 55.972 56.100 0.042 0.000 1.121 5431 R CB 0.341 30.651 30.300 0.017 0.000 1.408 5431 R HN 1.067 nan 8.270 nan 0.000 0.559 5432 R N -1.198 119.331 120.500 0.049 0.000 3.502 5432 R HA -0.130 4.210 4.340 0.000 0.000 0.266 5432 R C -1.234 175.099 176.300 0.056 0.000 1.077 5432 R CA 0.707 56.833 56.100 0.044 0.000 0.718 5432 R CB -2.558 27.762 30.300 0.032 0.000 1.120 5432 R HN 0.291 nan 8.270 nan 0.000 0.457 5433 V N 1.283 121.243 119.914 0.077 0.000 2.614 5433 V HA 0.082 4.202 4.120 0.000 0.000 0.291 5433 V C 1.179 177.298 176.094 0.042 0.000 1.049 5433 V CA -0.177 62.172 62.300 0.081 0.000 1.038 5433 V CB 1.410 33.310 31.823 0.129 0.000 0.980 5433 V HN 0.329 nan 8.190 nan 0.000 0.481 5434 K N 3.072 123.487 120.400 0.024 0.000 2.448 5434 K HA 0.024 4.344 4.320 0.000 0.000 0.278 5434 K C 1.175 177.774 176.600 -0.001 0.000 1.009 5434 K CA -0.289 56.003 56.287 0.009 0.000 0.995 5434 K CB 0.525 33.025 32.500 0.001 0.000 0.917 5434 K HN 0.616 nan 8.250 nan 0.000 0.481 5435 K N 2.310 122.710 120.400 0.001 0.000 2.113 5435 K HA -0.188 4.132 4.320 0.000 0.000 0.208 5435 K C 1.853 178.443 176.600 -0.016 0.000 1.047 5435 K CA 2.126 58.410 56.287 -0.004 0.000 0.928 5435 K CB -0.472 32.027 32.500 -0.001 0.000 0.716 5435 K HN 0.580 nan 8.250 nan 0.000 0.446 5436 S N 0.163 115.853 115.700 -0.018 0.000 2.370 5436 S HA -0.154 4.316 4.470 0.000 0.000 0.226 5436 S C 1.345 175.919 174.600 -0.042 0.000 1.033 5436 S CA 1.758 59.943 58.200 -0.026 0.000 1.011 5436 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 5436 S HN 0.428 nan 8.310 nan 0.000 0.457 5437 D N 0.419 120.789 120.400 -0.050 0.000 2.234 5437 D HA 0.025 4.665 4.640 0.000 0.000 0.205 5437 D C 1.931 178.160 176.300 -0.118 0.000 0.962 5437 D CA 0.608 54.557 54.000 -0.085 0.000 0.855 5437 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 5437 D HN 0.390 nan 8.370 nan 0.000 0.500 5438 M N 0.751 120.303 119.600 -0.080 0.000 2.159 5438 M HA -0.098 4.382 4.480 0.000 0.000 0.263 5438 M C 1.828 178.090 176.300 -0.064 0.000 1.063 5438 M CA 1.233 56.490 55.300 -0.072 0.000 1.110 5438 M CB -0.725 31.863 32.600 -0.020 0.000 1.374 5438 M HN 0.072 nan 8.290 nan 0.000 0.411 5439 E N -0.073 120.096 120.200 -0.051 0.000 2.112 5439 E HA -0.126 4.224 4.350 0.000 0.000 0.190 5439 E C 2.017 178.585 176.600 -0.054 0.000 0.979 5439 E CA 0.792 57.167 56.400 -0.042 0.000 0.814 5439 E CB 0.015 29.697 29.700 -0.030 0.000 0.762 5439 E HN 0.492 nan 8.360 nan 0.000 0.460 5440 K N 0.574 120.932 120.400 -0.070 0.000 2.148 5440 K HA -0.075 4.245 4.320 0.000 0.000 0.204 5440 K C 2.101 178.642 176.600 -0.098 0.000 1.050 5440 K CA 0.750 56.990 56.287 -0.078 0.000 0.942 5440 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 5440 K HN 0.098 nan 8.250 nan 0.000 0.446 5441 L N 0.289 121.430 121.223 -0.136 0.000 2.072 5441 L HA -0.132 4.208 4.340 0.000 0.000 0.205 5441 L C 2.559 179.376 176.870 -0.088 0.000 1.079 5441 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 5441 L CB -0.507 41.375 42.059 -0.295 0.000 0.906 5441 L HN 0.182 nan 8.230 nan 0.000 0.436 5442 A N 0.194 122.977 122.820 -0.062 0.000 1.902 5442 A HA -0.207 4.113 4.320 0.000 0.000 0.217 5442 A C 2.328 179.900 177.584 -0.020 0.000 1.181 5442 A CA 1.637 53.657 52.037 -0.027 0.000 0.623 5442 A CB -0.286 18.703 19.000 -0.019 0.000 0.818 5442 A HN 0.306 nan 8.150 nan 0.000 0.443 5443 K N -0.432 119.952 120.400 -0.027 0.000 2.031 5443 K HA 0.028 4.348 4.320 0.000 0.000 0.205 5443 K C 2.386 178.978 176.600 -0.013 0.000 1.049 5443 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 5443 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 5443 K HN 0.416 nan 8.250 nan 0.000 0.438 5444 A N 1.189 123.992 122.820 -0.028 0.000 1.855 5444 A HA -0.146 4.174 4.320 0.000 0.000 0.215 5444 A C 2.305 179.882 177.584 -0.011 0.000 1.191 5444 A CA 2.226 54.248 52.037 -0.025 0.000 0.613 5444 A CB -1.064 17.907 19.000 -0.049 0.000 0.829 5444 A HN 0.469 nan 8.150 nan 0.000 0.442 5445 T N -4.236 110.309 114.554 -0.015 0.000 3.043 5445 T HA 0.352 4.702 4.350 0.000 0.000 0.263 5445 T C 1.460 176.171 174.700 0.019 0.000 1.094 5445 T CA 1.239 63.341 62.100 0.004 0.000 1.127 5445 T CB -0.186 68.687 68.868 0.008 0.000 0.905 5445 T HN 1.814 nan 8.240 nan 0.000 0.490 5446 G N 1.439 110.248 108.800 0.016 0.000 2.143 5446 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 5446 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 5446 G C 0.258 175.171 174.900 0.022 0.000 0.991 5446 G CA 0.023 45.136 45.100 0.023 0.000 0.689 5446 G HN 1.208 nan 8.290 nan 0.000 0.522 5447 A N -0.384 122.447 122.820 0.019 0.000 2.445 5447 A HA 0.594 4.914 4.320 0.000 0.000 0.242 5447 A C 0.378 177.974 177.584 0.021 0.000 1.075 5447 A CA 0.612 52.666 52.037 0.028 0.000 0.777 5447 A CB 0.397 19.420 19.000 0.038 0.000 1.013 5447 A HN 0.913 nan 8.150 nan 0.000 0.493 5448 N N 1.426 120.141 118.700 0.025 0.000 2.417 5448 N HA 0.400 5.141 4.740 0.000 0.000 0.274 5448 N C -0.867 174.657 175.510 0.023 0.000 0.987 5448 N CA -0.373 52.688 53.050 0.019 0.000 0.912 5448 N CB 1.318 39.815 38.487 0.017 0.000 1.177 5448 N HN 0.334 nan 8.380 nan 0.000 0.490 5449 V N 4.055 123.981 119.914 0.019 0.000 2.540 5449 V HA 0.102 4.222 4.120 0.000 0.000 0.297 5449 V C 0.486 176.593 176.094 0.021 0.000 1.024 5449 V CA 0.150 62.463 62.300 0.022 0.000 1.105 5449 V CB -0.123 31.710 31.823 0.016 0.000 0.938 5449 V HN 0.591 nan 8.190 nan 0.000 0.482 5450 I N 4.281 124.866 120.570 0.025 0.000 2.740 5450 I HA 0.472 4.642 4.170 0.000 0.000 0.303 5450 I C 1.107 177.235 176.117 0.020 0.000 1.044 5450 I CA 0.323 61.635 61.300 0.020 0.000 1.064 5450 I CB 2.433 40.446 38.000 0.021 0.000 1.249 5450 I HN 0.784 nan 8.210 nan 0.000 0.433 5451 T N 2.353 116.916 114.554 0.015 0.000 2.904 5451 T HA 0.187 4.537 4.350 0.000 0.000 0.243 5451 T C 0.781 175.489 174.700 0.013 0.000 1.024 5451 T CA 0.283 62.391 62.100 0.014 0.000 1.158 5451 T CB -0.341 68.533 68.868 0.011 0.000 0.867 5451 T HN 0.429 nan 8.240 nan 0.000 0.429 5452 N N 0.634 119.340 118.700 0.010 0.000 2.456 5452 N HA 0.364 5.104 4.740 0.000 0.000 0.288 5452 N C 0.951 176.466 175.510 0.009 0.000 1.059 5452 N CA -0.583 52.472 53.050 0.008 0.000 0.946 5452 N CB 1.105 39.596 38.487 0.006 0.000 1.150 5452 N HN 0.288 nan 8.380 nan 0.000 0.479 5453 I N 2.206 122.780 120.570 0.007 0.000 2.264 5453 I HA -0.235 3.935 4.170 0.000 0.000 0.248 5453 I C 1.956 178.074 176.117 0.002 0.000 1.111 5453 I CA 0.899 62.202 61.300 0.005 0.000 1.382 5453 I CB 0.028 38.029 38.000 0.002 0.000 1.060 5453 I HN 0.450 nan 8.210 nan 0.000 0.418 5454 K N 0.406 120.806 120.400 0.000 0.000 2.211 5454 K HA -0.156 4.164 4.320 0.000 0.000 0.203 5454 K C 1.425 178.025 176.600 0.001 0.000 1.050 5454 K CA 1.215 57.501 56.287 -0.002 0.000 0.945 5454 K CB -0.322 32.176 32.500 -0.003 0.000 0.732 5454 K HN 0.335 nan 8.250 nan 0.000 0.451 5455 D N 0.586 120.988 120.400 0.004 0.000 2.249 5455 D HA -0.064 4.576 4.640 0.000 0.000 0.205 5455 D C 0.579 176.884 176.300 0.008 0.000 0.962 5455 D CA 0.033 54.037 54.000 0.006 0.000 0.860 5455 D CB -0.172 40.633 40.800 0.007 0.000 0.955 5455 D HN -0.014 nan 8.370 nan 0.000 0.505 5456 L N 1.579 122.808 121.223 0.010 0.000 2.628 5456 L HA 0.024 4.364 4.340 0.000 0.000 0.274 5456 L C 0.328 177.205 176.870 0.011 0.000 1.209 5456 L CA 0.236 55.084 54.840 0.013 0.000 0.930 5456 L CB 0.042 42.110 42.059 0.015 0.000 1.183 5456 L HN -0.056 nan 8.230 nan 0.000 0.492 5457 S N 3.355 119.062 115.700 0.013 0.000 2.704 5457 S HA 0.800 5.270 4.470 0.000 0.000 0.296 5457 S C 0.853 175.462 174.600 0.015 0.000 1.138 5457 S CA -0.388 57.818 58.200 0.011 0.000 0.875 5457 S CB 1.264 64.469 63.200 0.010 0.000 1.151 5457 S HN 0.812 nan 8.310 nan 0.000 0.500 5458 A N 0.517 123.345 122.820 0.014 0.000 1.978 5458 A HA -0.089 4.231 4.320 0.000 0.000 0.220 5458 A C 2.026 179.620 177.584 0.017 0.000 1.170 5458 A CA 1.376 53.422 52.037 0.016 0.000 0.636 5458 A CB -0.925 18.083 19.000 0.014 0.000 0.810 5458 A HN 0.738 nan 8.150 nan 0.000 0.448 5459 Q N 0.065 119.874 119.800 0.015 0.000 2.437 5459 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 5459 Q C 0.642 176.652 176.000 0.017 0.000 0.972 5459 Q CA 1.159 56.971 55.803 0.015 0.000 0.903 5459 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 5459 Q HN 0.682 nan 8.270 nan 0.000 0.486 5460 D N -0.279 120.133 120.400 0.019 0.000 2.346 5460 D HA 0.076 4.716 4.640 0.000 0.000 0.206 5460 D C 0.489 176.806 176.300 0.029 0.000 1.001 5460 D CA 0.093 54.106 54.000 0.022 0.000 0.871 5460 D CB 0.649 41.462 40.800 0.021 0.000 0.943 5460 D HN 0.198 nan 8.370 nan 0.000 0.518 5461 L N 1.033 122.274 121.223 0.030 0.000 2.380 5461 L HA 0.381 4.721 4.340 0.000 0.000 0.273 5461 L C 1.154 178.046 176.870 0.038 0.000 1.138 5461 L CA -0.452 54.410 54.840 0.037 0.000 0.832 5461 L CB 1.213 43.293 42.059 0.034 0.000 1.124 5461 L HN -0.144 nan 8.230 nan 0.000 0.454 5462 G N 1.208 110.036 108.800 0.046 0.000 2.491 5462 G HA2 0.456 4.416 3.960 0.000 0.000 0.327 5462 G HA3 0.456 4.416 3.960 0.000 0.000 0.327 5462 G C -1.188 173.740 174.900 0.045 0.000 1.189 5462 G CA -0.489 44.636 45.100 0.042 0.000 0.956 5462 G HN 0.533 nan 8.290 nan 0.000 0.491 5463 D N -0.171 120.252 120.400 0.038 0.000 2.248 5463 D HA 0.594 5.234 4.640 0.000 0.000 0.246 5463 D C -0.353 175.965 176.300 0.030 0.000 1.027 5463 D CA 0.029 54.049 54.000 0.033 0.000 0.853 5463 D CB 2.078 42.893 40.800 0.025 0.000 1.243 5463 D HN 0.553 nan 8.370 nan 0.000 0.462 5464 A N 0.589 123.431 122.820 0.037 0.000 2.398 5464 A HA 0.604 4.924 4.320 0.000 0.000 0.301 5464 A C 0.997 178.600 177.584 0.031 0.000 1.041 5464 A CA -0.486 51.573 52.037 0.036 0.000 0.711 5464 A CB 1.656 20.694 19.000 0.063 0.000 1.240 5464 A HN 0.515 nan 8.150 nan 0.000 0.420 5465 G N 0.653 109.465 108.800 0.019 0.000 2.422 5465 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 5465 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 5465 G C 0.326 175.243 174.900 0.029 0.000 1.146 5465 G CA 1.690 46.800 45.100 0.016 0.000 0.769 5465 G HN 1.136 nan 8.290 nan 0.000 0.547 5466 L N -0.072 121.177 121.223 0.043 0.000 2.505 5466 L HA 0.600 4.940 4.340 0.000 0.000 0.266 5466 L C -1.314 175.607 176.870 0.085 0.000 0.954 5466 L CA -0.753 54.121 54.840 0.056 0.000 0.852 5466 L CB 2.504 44.595 42.059 0.053 0.000 1.282 5466 L HN -0.143 nan 8.230 nan 0.000 0.403 5467 V N 4.487 124.454 119.914 0.089 0.000 2.350 5467 V HA 0.632 4.752 4.120 0.000 0.000 0.285 5467 V C -0.412 175.739 176.094 0.095 0.000 1.014 5467 V CA -0.420 61.955 62.300 0.124 0.000 0.831 5467 V CB 1.321 33.228 31.823 0.140 0.000 1.000 5467 V HN 0.823 nan 8.190 nan 0.000 0.433 5468 E N 3.215 123.481 120.200 0.110 0.000 2.308 5468 E HA 0.391 4.741 4.350 0.000 0.000 0.275 5468 E C -0.964 175.643 176.600 0.012 0.000 0.890 5468 E CA -0.681 55.747 56.400 0.047 0.000 0.754 5468 E CB 2.168 31.883 29.700 0.024 0.000 1.207 5468 E HN 0.734 nan 8.360 nan 0.000 0.426 5469 E N 4.137 124.322 120.200 -0.026 0.000 2.180 5469 E HA 0.217 4.567 4.350 0.000 0.000 0.283 5469 E C -0.896 175.612 176.600 -0.153 0.000 1.061 5469 E CA -0.152 56.211 56.400 -0.061 0.000 0.861 5469 E CB 0.641 30.322 29.700 -0.032 0.000 1.056 5469 E HN 0.336 nan 8.360 nan 0.000 0.407 5470 R N 3.682 124.010 120.500 -0.287 0.000 2.686 5470 R HA 0.396 4.736 4.340 0.000 0.000 0.283 5470 R C -0.802 175.323 176.300 -0.292 0.000 0.978 5470 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 5470 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 5470 R HN 0.325 nan 8.270 nan 0.000 0.457 5471 K N 2.391 122.679 120.400 -0.188 0.000 2.213 5471 K HA 0.414 4.734 4.320 0.000 0.000 0.270 5471 K C -0.773 175.776 176.600 -0.085 0.000 1.002 5471 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 5471 K CB 1.274 33.736 32.500 -0.064 0.000 1.093 5471 K HN 0.296 nan 8.250 nan 0.000 0.454 5472 I N 1.945 122.492 120.570 -0.038 0.000 2.390 5472 I HA 0.086 4.256 4.170 0.000 0.000 0.283 5472 I C 0.044 176.170 176.117 0.015 0.000 1.016 5472 I CA -0.178 61.125 61.300 0.005 0.000 1.151 5472 I CB 1.676 39.718 38.000 0.070 0.000 1.293 5472 I HN 0.578 nan 8.210 nan 0.000 0.458 5473 S N 4.471 120.176 115.700 0.009 0.000 3.581 5473 S HA -0.193 4.277 4.470 0.000 0.000 0.354 5473 S C 1.362 175.965 174.600 0.005 0.000 1.059 5473 S CA 1.064 59.270 58.200 0.009 0.000 1.060 5473 S CB -1.330 61.880 63.200 0.016 0.000 0.908 5473 S HN 1.458 nan 8.310 nan 0.000 0.475 5474 G N 0.438 109.236 108.800 -0.002 0.000 2.358 5474 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 5474 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 5474 G C -0.365 174.532 174.900 -0.004 0.000 1.073 5474 G CA 0.046 45.143 45.100 -0.005 0.000 0.635 5474 G HN 0.606 nan 8.290 nan 0.000 0.509 5475 D N 1.878 122.282 120.400 0.006 0.000 2.412 5475 D HA 0.386 5.026 4.640 0.000 0.000 0.257 5475 D C 0.475 176.780 176.300 0.008 0.000 1.217 5475 D CA 0.897 54.906 54.000 0.014 0.000 0.897 5475 D CB 1.407 42.224 40.800 0.028 0.000 1.132 5475 D HN 0.275 nan 8.370 nan 0.000 0.493 5476 S N 3.432 119.135 115.700 0.005 0.000 2.481 5476 S HA 0.368 4.838 4.470 0.000 0.000 0.276 5476 S C -0.141 174.475 174.600 0.028 0.000 1.247 5476 S CA -0.425 57.772 58.200 -0.005 0.000 1.053 5476 S CB 0.148 63.345 63.200 -0.005 0.000 0.925 5476 S HN 0.315 nan 8.310 nan 0.000 0.491 5477 M N 4.438 124.051 119.600 0.023 0.000 2.619 5477 M HA 0.534 5.014 4.480 0.000 0.000 0.297 5477 M C -1.067 175.305 176.300 0.121 0.000 1.229 5477 M CA -0.651 54.724 55.300 0.125 0.000 0.860 5477 M CB 2.150 34.921 32.600 0.285 0.000 1.741 5477 M HN 0.441 nan 8.290 nan 0.000 0.462 5478 I N 2.000 122.718 120.570 0.246 0.000 2.330 5478 I HA 0.337 4.507 4.170 0.000 0.000 0.289 5478 I C -1.261 175.149 176.117 0.488 0.000 1.001 5478 I CA -0.457 61.010 61.300 0.279 0.000 1.193 5478 I CB 0.894 39.058 38.000 0.273 0.000 1.345 5478 I HN 0.391 nan 8.210 nan 0.000 0.461 5479 F N 6.256 126.246 119.950 0.066 0.000 2.391 5479 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 5479 F C 0.227 176.061 175.800 0.057 0.000 1.122 5479 F CA -0.995 57.033 58.000 0.045 0.000 1.120 5479 F CB 1.310 40.327 39.000 0.028 0.000 1.142 5479 F HN 0.001 nan 8.300 nan 0.000 0.483 5480 V N 4.916 124.928 119.914 0.163 0.000 2.311 5480 V HA 0.363 4.483 4.120 0.000 0.000 0.275 5480 V C -0.247 175.870 176.094 0.039 0.000 1.022 5480 V CA -0.577 61.785 62.300 0.104 0.000 0.830 5480 V CB 0.697 32.552 31.823 0.054 0.000 1.012 5480 V HN 0.786 nan 8.190 nan 0.000 0.452 5481 E N 3.319 123.554 120.200 0.058 0.000 2.433 5481 E HA 0.679 5.029 4.350 0.000 0.000 0.273 5481 E C -0.819 175.793 176.600 0.020 0.000 0.950 5481 E CA -0.910 55.506 56.400 0.027 0.000 0.796 5481 E CB 1.755 31.487 29.700 0.053 0.000 1.330 5481 E HN 0.231 nan 8.360 nan 0.000 0.455 5482 E N -0.946 119.254 120.200 0.001 0.000 2.596 5482 E HA -0.141 4.209 4.350 0.000 0.000 0.272 5482 E C -0.704 175.880 176.600 -0.026 0.000 1.039 5482 E CA 0.476 56.870 56.400 -0.011 0.000 0.804 5482 E CB -2.405 27.296 29.700 0.001 0.000 1.373 5482 E HN 0.597 nan 8.360 nan 0.000 0.404 5483 C N 0.814 120.096 119.300 -0.031 0.000 2.679 5483 C HA 0.050 4.510 4.460 0.000 0.000 0.417 5483 C C 2.285 177.223 174.990 -0.086 0.000 1.302 5483 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 5483 C CB 0.358 28.081 27.740 -0.029 0.000 2.715 5483 C HN 0.388 nan 8.230 nan 0.000 0.628 5484 K N 0.857 121.191 120.400 -0.110 0.000 1.973 5484 K HA -0.068 4.252 4.320 0.000 0.000 0.212 5484 K C 0.447 176.753 176.600 -0.491 0.000 1.047 5484 K CA 1.303 57.424 56.287 -0.276 0.000 0.937 5484 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 5484 K HN 0.686 nan 8.250 nan 0.000 0.440 5485 H N 0.392 119.460 119.070 -0.002 0.000 2.380 5485 H HA 0.244 4.800 4.556 0.000 0.000 0.231 5485 H C -2.501 172.822 175.328 -0.009 0.000 1.415 5485 H CA -1.982 54.063 56.048 -0.005 0.000 1.433 5485 H CB 0.650 30.410 29.762 -0.004 0.000 1.544 5485 H HN 0.197 nan 8.280 nan 0.000 0.503 5486 P HA 0.137 nan 4.420 nan 0.000 0.275 5486 P C 0.380 177.695 177.300 0.024 0.000 1.227 5486 P CA -0.527 62.585 63.100 0.021 0.000 0.781 5486 P CB 1.843 33.537 31.700 -0.010 0.000 0.906 5487 K N 0.620 121.026 120.400 0.010 0.000 2.373 5487 K HA 0.459 4.779 4.320 0.000 0.000 0.202 5487 K C 0.185 176.778 176.600 -0.012 0.000 1.025 5487 K CA 0.042 56.330 56.287 0.003 0.000 1.115 5487 K CB 0.531 33.032 32.500 0.001 0.000 0.858 5487 K HN 0.574 nan 8.250 nan 0.000 0.525 5488 A N -0.203 122.605 122.820 -0.020 0.000 2.520 5488 A HA 0.716 5.036 4.320 0.000 0.000 0.298 5488 A C -1.612 175.948 177.584 -0.041 0.000 1.051 5488 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 5488 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 5488 A HN -0.051 nan 8.150 nan 0.000 0.402 5489 V N 0.867 120.754 119.914 -0.046 0.000 3.007 5489 V HA 0.852 4.972 4.120 0.000 0.000 0.311 5489 V C -0.801 175.252 176.094 -0.068 0.000 1.120 5489 V CA -0.153 62.114 62.300 -0.054 0.000 0.980 5489 V CB 2.661 34.459 31.823 -0.041 0.000 1.033 5489 V HN 1.083 nan 8.190 nan 0.000 0.429 5490 T N 6.603 121.104 114.554 -0.089 0.000 2.848 5490 T HA 0.498 4.848 4.350 0.000 0.000 0.285 5490 T C -0.607 174.031 174.700 -0.103 0.000 0.995 5490 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 5490 T CB 1.328 70.100 68.868 -0.159 0.000 0.976 5490 T HN 0.751 nan 8.240 nan 0.000 0.441 5491 M N 4.538 124.090 119.600 -0.081 0.000 2.114 5491 M HA 0.571 5.051 4.480 0.000 0.000 0.332 5491 M C -1.559 174.704 176.300 -0.060 0.000 1.014 5491 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 5491 M CB 0.726 33.302 32.600 -0.040 0.000 1.551 5491 M HN 0.493 nan 8.290 nan 0.000 0.427 5492 L N 7.516 128.705 121.223 -0.058 0.000 2.257 5492 L HA 0.561 4.901 4.340 0.000 0.000 0.290 5492 L C -1.410 175.457 176.870 -0.005 0.000 1.044 5492 L CA 0.025 54.845 54.840 -0.034 0.000 0.810 5492 L CB 0.682 42.725 42.059 -0.027 0.000 1.193 5492 L HN 0.697 nan 8.230 nan 0.000 0.425 5493 I N 5.895 126.464 120.570 -0.001 0.000 2.336 5493 I HA 0.495 4.665 4.170 0.000 0.000 0.292 5493 I C 0.059 176.185 176.117 0.015 0.000 0.991 5493 I CA -0.666 60.637 61.300 0.006 0.000 1.227 5493 I CB 0.803 38.804 38.000 0.000 0.000 1.366 5493 I HN 0.550 nan 8.210 nan 0.000 0.466 5494 R N 3.961 124.472 120.500 0.019 0.000 2.902 5494 R HA 0.912 5.252 4.340 0.000 0.000 0.258 5494 R C -0.272 176.040 176.300 0.019 0.000 1.071 5494 R CA -1.063 55.050 56.100 0.022 0.000 1.024 5494 R CB 1.944 32.260 30.300 0.027 0.000 1.184 5494 R HN 0.859 nan 8.270 nan 0.000 0.492 5495 G N -1.107 107.705 108.800 0.021 0.000 2.328 5495 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 5495 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 5495 G C -0.003 174.911 174.900 0.023 0.000 1.435 5495 G CA -0.079 45.034 45.100 0.022 0.000 0.865 5495 G HN 0.390 nan 8.290 nan 0.000 0.601 5496 T N -0.813 113.756 114.554 0.025 0.000 2.995 5496 T HA 0.305 4.655 4.350 0.000 0.000 0.269 5496 T C 0.830 175.550 174.700 0.033 0.000 1.091 5496 T CA 2.312 64.428 62.100 0.026 0.000 1.128 5496 T CB -0.248 68.634 68.868 0.025 0.000 0.891 5496 T HN 0.764 nan 8.240 nan 0.000 0.492 5497 T N 0.091 114.670 114.554 0.041 0.000 2.889 5497 T HA 0.305 4.655 4.350 0.000 0.000 0.315 5497 T C 0.260 174.988 174.700 0.047 0.000 1.291 5497 T CA -0.651 61.484 62.100 0.059 0.000 1.028 5497 T CB 2.103 71.025 68.868 0.091 0.000 1.235 5497 T HN -0.020 nan 8.240 nan 0.000 0.491 5498 E N 0.941 121.155 120.200 0.023 0.000 2.049 5498 E HA -0.219 4.132 4.350 0.000 0.000 0.198 5498 E C 1.384 177.928 176.600 -0.093 0.000 1.007 5498 E CA 2.219 58.580 56.400 -0.066 0.000 0.809 5498 E CB -0.230 29.378 29.700 -0.153 0.000 0.749 5498 E HN 0.742 nan 8.360 nan 0.000 0.450 5499 H N -1.155 117.919 119.070 0.007 0.000 2.456 5499 H HA -0.031 4.525 4.556 -0.000 0.000 0.296 5499 H C 1.990 177.322 175.328 0.006 0.000 1.079 5499 H CA 1.254 57.306 56.048 0.006 0.000 1.322 5499 H CB 0.048 29.813 29.762 0.005 0.000 1.388 5499 H HN 0.041 nan 8.280 nan 0.000 0.538 5500 V N 1.193 121.177 119.914 0.117 0.000 2.323 5500 V HA -0.197 3.923 4.120 0.000 0.000 0.244 5500 V C 2.300 178.417 176.094 0.039 0.000 1.041 5500 V CA 1.874 64.214 62.300 0.067 0.000 1.025 5500 V CB -0.439 31.416 31.823 0.053 0.000 0.656 5500 V HN 0.546 nan 8.190 nan 0.000 0.451 5501 I N -1.948 118.637 120.570 0.024 0.000 2.830 5501 I HA -0.068 4.102 4.170 0.000 0.000 0.263 5501 I C 2.077 178.194 176.117 0.001 0.000 1.230 5501 I CA 1.403 62.709 61.300 0.010 0.000 1.480 5501 I CB -0.524 37.478 38.000 0.003 0.000 1.095 5501 I HN 0.294 nan 8.210 nan 0.000 0.455 5502 E N 1.482 121.679 120.200 -0.004 0.000 2.076 5502 E HA -0.201 4.149 4.350 0.000 0.000 0.190 5502 E C 2.045 178.650 176.600 0.010 0.000 0.979 5502 E CA 1.059 57.452 56.400 -0.011 0.000 0.807 5502 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 5502 E HN 0.615 nan 8.360 nan 0.000 0.454 5503 E N 0.719 120.935 120.200 0.027 0.000 2.106 5503 E HA -0.159 4.191 4.350 0.000 0.000 0.192 5503 E C 2.060 178.671 176.600 0.020 0.000 0.984 5503 E CA 0.902 57.319 56.400 0.029 0.000 0.806 5503 E CB 0.238 29.961 29.700 0.039 0.000 0.750 5503 E HN 0.022 nan 8.360 nan 0.000 0.458 5504 V N 1.232 121.157 119.914 0.018 0.000 2.343 5504 V HA -0.249 3.871 4.120 0.000 0.000 0.247 5504 V C 2.463 178.561 176.094 0.007 0.000 1.051 5504 V CA 1.736 64.044 62.300 0.013 0.000 1.036 5504 V CB -0.731 31.099 31.823 0.012 0.000 0.654 5504 V HN 0.437 nan 8.190 nan 0.000 0.451 5505 A N -0.279 122.543 122.820 0.003 0.000 1.933 5505 A HA -0.199 4.121 4.320 0.000 0.000 0.218 5505 A C 2.358 179.942 177.584 -0.001 0.000 1.175 5505 A CA 1.475 53.511 52.037 -0.002 0.000 0.628 5505 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 5505 A HN 0.384 nan 8.150 nan 0.000 0.444 5506 R N -0.541 119.961 120.500 0.004 0.000 2.090 5506 R HA 0.039 4.379 4.340 0.000 0.000 0.228 5506 R C 2.423 178.727 176.300 0.006 0.000 1.110 5506 R CA 1.281 57.384 56.100 0.005 0.000 0.973 5506 R CB -1.088 29.217 30.300 0.009 0.000 0.869 5506 R HN 0.525 nan 8.270 nan 0.000 0.440 5507 A N 0.974 123.800 122.820 0.009 0.000 1.902 5507 A HA -0.129 4.191 4.320 0.000 0.000 0.217 5507 A C 2.271 179.859 177.584 0.007 0.000 1.181 5507 A CA 1.935 53.979 52.037 0.011 0.000 0.623 5507 A CB -0.612 18.396 19.000 0.014 0.000 0.818 5507 A HN 0.211 nan 8.150 nan 0.000 0.443 5508 V N -2.401 117.515 119.914 0.003 0.000 2.719 5508 V HA -0.113 4.007 4.120 0.000 0.000 0.252 5508 V C 1.926 178.018 176.094 -0.003 0.000 1.065 5508 V CA 2.048 64.348 62.300 -0.000 0.000 1.086 5508 V CB -0.630 31.191 31.823 -0.003 0.000 0.700 5508 V HN 0.543 nan 8.190 nan 0.000 0.467 5509 D N 1.077 121.476 120.400 -0.003 0.000 2.097 5509 D HA -0.241 4.399 4.640 0.000 0.000 0.195 5509 D C 1.681 177.980 176.300 -0.002 0.000 0.989 5509 D CA 2.057 56.055 54.000 -0.004 0.000 0.827 5509 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 5509 D HN 0.510 nan 8.370 nan 0.000 0.456 5510 D N 0.336 120.736 120.400 0.001 0.000 2.144 5510 D HA -0.067 4.573 4.640 0.000 0.000 0.200 5510 D C 2.011 178.312 176.300 0.002 0.000 0.978 5510 D CA 1.132 55.133 54.000 0.003 0.000 0.833 5510 D CB -0.441 40.363 40.800 0.005 0.000 0.961 5510 D HN 0.266 nan 8.370 nan 0.000 0.470 5511 A N 0.665 123.487 122.820 0.002 0.000 1.908 5511 A HA -0.153 4.167 4.320 0.000 0.000 0.218 5511 A C 2.507 180.091 177.584 -0.001 0.000 1.181 5511 A CA 1.294 53.332 52.037 0.001 0.000 0.627 5511 A CB -0.786 18.215 19.000 0.001 0.000 0.818 5511 A HN 0.151 nan 8.150 nan 0.000 0.445 5512 V N -0.111 119.801 119.914 -0.003 0.000 2.427 5512 V HA -0.165 3.955 4.120 0.000 0.000 0.248 5512 V C 2.803 178.894 176.094 -0.004 0.000 1.051 5512 V CA 1.861 64.158 62.300 -0.005 0.000 1.048 5512 V CB -1.415 30.403 31.823 -0.008 0.000 0.666 5512 V HN 0.626 nan 8.190 nan 0.000 0.456 5513 G N 0.582 109.380 108.800 -0.003 0.000 2.446 5513 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 5513 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 5513 G C 1.701 176.600 174.900 -0.001 0.000 1.168 5513 G CA 1.632 46.730 45.100 -0.002 0.000 0.771 5513 G HN 0.601 nan 8.290 nan 0.000 0.551 5514 V N -1.536 118.378 119.914 0.000 0.000 2.719 5514 V HA 0.029 4.149 4.120 0.000 0.000 0.252 5514 V C 2.613 178.707 176.094 0.000 0.000 1.065 5514 V CA 1.213 63.514 62.300 0.001 0.000 1.086 5514 V CB -0.303 31.522 31.823 0.003 0.000 0.700 5514 V HN 0.130 nan 8.190 nan 0.000 0.467 5515 V N 2.092 122.005 119.914 -0.001 0.000 2.358 5515 V HA -0.032 4.088 4.120 0.000 0.000 0.246 5515 V C 2.918 179.011 176.094 -0.003 0.000 1.047 5515 V CA 2.248 64.547 62.300 -0.002 0.000 1.035 5515 V CB -1.334 30.487 31.823 -0.003 0.000 0.658 5515 V HN 0.613 nan 8.190 nan 0.000 0.452 5516 G N -1.266 107.532 108.800 -0.003 0.000 2.422 5516 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 5516 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 5516 G C 1.707 176.606 174.900 -0.002 0.000 1.146 5516 G CA 1.292 46.390 45.100 -0.003 0.000 0.769 5516 G HN 0.536 nan 8.290 nan 0.000 0.547 5517 C N 0.249 119.548 119.300 -0.001 0.000 2.440 5517 C HA 0.024 4.484 4.460 0.000 0.000 0.278 5517 C C 3.147 178.137 174.990 -0.000 0.000 1.295 5517 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 5517 C CB -0.809 26.932 27.740 0.001 0.000 1.987 5517 C HN 0.405 nan 8.230 nan 0.000 0.492 5518 T N 0.709 115.263 114.554 -0.001 0.000 3.043 5518 T HA 0.113 4.463 4.350 0.000 0.000 0.263 5518 T C 1.567 176.266 174.700 -0.001 0.000 1.094 5518 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 5518 T CB -0.122 68.745 68.868 -0.001 0.000 0.905 5518 T HN 0.468 nan 8.240 nan 0.000 0.490 5519 I N 0.762 121.331 120.570 -0.002 0.000 2.333 5519 I HA -0.048 4.122 4.170 0.000 0.000 0.246 5519 I C 2.454 178.570 176.117 -0.002 0.000 1.106 5519 I CA 1.210 62.508 61.300 -0.002 0.000 1.411 5519 I CB -0.116 37.883 38.000 -0.003 0.000 1.082 5519 I HN 0.254 nan 8.210 nan 0.000 0.420 5520 E N 0.063 120.262 120.200 -0.002 0.000 2.122 5520 E HA -0.056 4.294 4.350 0.000 0.000 0.190 5520 E C -0.073 176.526 176.600 -0.001 0.000 0.977 5520 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 5520 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 5520 E HN 0.347 nan 8.360 nan 0.000 0.462 5521 D N 0.163 120.562 120.400 -0.001 0.000 2.446 5521 D HA 0.128 4.768 4.640 0.000 0.000 0.251 5521 D C -0.087 176.213 176.300 -0.000 0.000 1.137 5521 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 5521 D CB 1.438 42.238 40.800 0.000 0.000 1.071 5521 D HN 0.092 nan 8.370 nan 0.000 0.528 5522 G N 2.258 111.057 108.800 -0.001 0.000 3.340 5522 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 5522 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 5522 G C 0.614 175.514 174.900 -0.000 0.000 1.327 5522 G CA -0.146 44.953 45.100 -0.001 0.000 1.170 5522 G HN 0.080 nan 8.290 nan 0.000 0.520 5523 R N 0.355 120.856 120.500 0.000 0.000 2.494 5523 R HA 0.569 4.909 4.340 0.000 0.000 0.305 5523 R C -0.099 176.202 176.300 0.002 0.000 0.959 5523 R CA -0.642 55.458 56.100 0.001 0.000 0.864 5523 R CB 1.751 32.052 30.300 0.001 0.000 1.159 5523 R HN 0.388 nan 8.270 nan 0.000 0.446 5524 I N -1.266 119.306 120.570 0.003 0.000 3.002 5524 I HA 0.809 4.979 4.170 0.000 0.000 0.310 5524 I C -0.183 175.939 176.117 0.007 0.000 1.087 5524 I CA -1.302 60.001 61.300 0.005 0.000 1.017 5524 I CB 2.445 40.447 38.000 0.004 0.000 1.226 5524 I HN 0.301 nan 8.210 nan 0.000 0.443 5525 V N -0.302 119.618 119.914 0.010 0.000 3.078 5525 V HA 0.673 4.793 4.120 0.000 0.000 0.311 5525 V C 0.093 176.198 176.094 0.018 0.000 1.138 5525 V CA -0.582 61.727 62.300 0.015 0.000 1.007 5525 V CB 1.178 33.011 31.823 0.017 0.000 1.045 5525 V HN 1.026 nan 8.190 nan 0.000 0.432 5526 S N 1.504 117.219 115.700 0.024 0.000 2.562 5526 S HA 0.647 5.117 4.470 0.000 0.000 0.281 5526 S C 0.558 175.179 174.600 0.034 0.000 1.333 5526 S CA 0.170 58.388 58.200 0.029 0.000 1.052 5526 S CB 0.845 64.066 63.200 0.035 0.000 0.884 5526 S HN 1.792 nan 8.310 nan 0.000 0.506 5527 G N 0.366 109.187 108.800 0.035 0.000 2.630 5527 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 5527 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 5527 G C 0.913 175.839 174.900 0.043 0.000 1.434 5527 G CA -0.551 44.572 45.100 0.037 0.000 1.057 5527 G HN 2.030 nan 8.290 nan 0.000 0.570 5528 G N -1.995 106.832 108.800 0.045 0.000 2.179 5528 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 5528 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 5528 G C 1.467 176.382 174.900 0.025 0.000 1.010 5528 G CA 1.177 46.303 45.100 0.044 0.000 0.736 5528 G HN 2.472 nan 8.290 nan 0.000 0.513 5529 G N -1.359 107.448 108.800 0.012 0.000 2.162 5529 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 5529 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 5529 G C 1.467 176.358 174.900 -0.015 0.000 0.976 5529 G CA 1.687 46.781 45.100 -0.011 0.000 0.655 5529 G HN 1.952 nan 8.290 nan 0.000 0.533 5530 S N 0.036 115.753 115.700 0.029 0.000 2.370 5530 S HA -0.164 4.306 4.470 0.000 0.000 0.226 5530 S C 2.795 177.427 174.600 0.053 0.000 1.033 5530 S CA 2.766 61.016 58.200 0.083 0.000 1.011 5530 S CB -0.553 62.732 63.200 0.142 0.000 0.852 5530 S HN 1.319 nan 8.310 nan 0.000 0.457 5531 T N 0.101 114.674 114.554 0.033 0.000 2.595 5531 T HA -0.089 4.261 4.350 0.000 0.000 0.264 5531 T C 1.606 176.293 174.700 -0.021 0.000 1.058 5531 T CA 1.594 63.707 62.100 0.022 0.000 1.166 5531 T CB -1.019 67.858 68.868 0.014 0.000 0.863 5531 T HN 0.349 nan 8.240 nan 0.000 0.415 5532 E N 0.900 121.075 120.200 -0.042 0.000 2.171 5532 E HA -0.069 4.281 4.350 0.000 0.000 0.197 5532 E C 2.276 178.811 176.600 -0.107 0.000 0.997 5532 E CA 0.849 57.208 56.400 -0.068 0.000 0.810 5532 E CB -0.828 28.826 29.700 -0.076 0.000 0.738 5532 E HN 0.436 nan 8.360 nan 0.000 0.467 5533 V N 0.409 120.220 119.914 -0.172 0.000 2.379 5533 V HA -0.216 3.904 4.120 0.000 0.000 0.245 5533 V C 2.280 178.148 176.094 -0.375 0.000 1.044 5533 V CA 1.841 63.952 62.300 -0.314 0.000 1.036 5533 V CB -0.427 31.101 31.823 -0.491 0.000 0.664 5533 V HN 0.223 nan 8.190 nan 0.000 0.453 5534 E N 0.427 120.437 120.200 -0.315 0.000 2.085 5534 E HA -0.225 4.125 4.350 0.000 0.000 0.194 5534 E C 1.878 178.487 176.600 0.016 0.000 0.994 5534 E CA 1.472 57.874 56.400 0.004 0.000 0.801 5534 E CB -0.337 29.475 29.700 0.186 0.000 0.743 5534 E HN 0.364 nan 8.360 nan 0.000 0.453 5535 L N 0.582 121.801 121.223 -0.008 0.000 2.056 5535 L HA -0.108 4.232 4.340 0.000 0.000 0.207 5535 L C 2.554 179.443 176.870 0.032 0.000 1.078 5535 L CA 2.019 56.871 54.840 0.021 0.000 0.749 5535 L CB -1.153 40.923 42.059 0.029 0.000 0.901 5535 L HN 0.311 nan 8.230 nan 0.000 0.433 5536 S N -1.909 113.787 115.700 -0.007 0.000 2.423 5536 S HA -0.165 4.305 4.470 0.000 0.000 0.231 5536 S C 1.954 176.566 174.600 0.021 0.000 1.014 5536 S CA 0.837 59.041 58.200 0.005 0.000 0.965 5536 S CB -0.308 62.868 63.200 -0.040 0.000 0.785 5536 S HN 0.252 nan 8.310 nan 0.000 0.495 5537 M N 1.539 121.143 119.600 0.007 0.000 2.064 5537 M HA 0.065 4.545 4.480 0.000 0.000 0.260 5537 M C 2.179 178.518 176.300 0.065 0.000 1.073 5537 M CA 1.411 56.734 55.300 0.039 0.000 1.124 5537 M CB -0.935 31.703 32.600 0.062 0.000 1.326 5537 M HN 0.257 nan 8.290 nan 0.000 0.410 5538 K N 0.614 121.055 120.400 0.067 0.000 2.217 5538 K HA 0.065 4.385 4.320 0.000 0.000 0.202 5538 K C 2.023 178.687 176.600 0.108 0.000 1.051 5538 K CA 0.870 57.202 56.287 0.075 0.000 0.952 5538 K CB -0.481 32.049 32.500 0.050 0.000 0.736 5538 K HN 0.389 nan 8.250 nan 0.000 0.453 5539 L N 0.149 121.438 121.223 0.110 0.000 2.313 5539 L HA -0.030 4.310 4.340 0.000 0.000 0.214 5539 L C 2.384 179.376 176.870 0.203 0.000 1.119 5539 L CA 0.644 55.592 54.840 0.180 0.000 0.809 5539 L CB -0.183 41.982 42.059 0.177 0.000 0.933 5539 L HN 0.097 nan 8.230 nan 0.000 0.449 5540 R N 0.105 120.686 120.500 0.134 0.000 2.090 5540 R HA -0.124 4.216 4.340 0.000 0.000 0.228 5540 R C 2.052 178.407 176.300 0.092 0.000 1.110 5540 R CA 1.166 57.328 56.100 0.102 0.000 0.973 5540 R CB -0.077 30.265 30.300 0.070 0.000 0.869 5540 R HN 0.421 nan 8.270 nan 0.000 0.440 5541 E N -0.465 119.797 120.200 0.103 0.000 2.107 5541 E HA -0.194 4.156 4.350 0.000 0.000 0.191 5541 E C 1.548 178.215 176.600 0.110 0.000 0.982 5541 E CA 0.800 57.253 56.400 0.089 0.000 0.809 5541 E CB -0.087 29.664 29.700 0.085 0.000 0.756 5541 E HN 0.298 nan 8.360 nan 0.000 0.459 5542 Y N 1.584 121.898 120.300 0.023 0.000 2.224 5542 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 5542 Y C 2.181 178.091 175.900 0.017 0.000 1.146 5542 Y CA 1.290 59.400 58.100 0.017 0.000 1.182 5542 Y CB -0.424 38.044 38.460 0.014 0.000 0.983 5542 Y HN -0.011 nan 8.280 nan 0.000 0.524 5543 A N 0.380 123.192 122.820 -0.012 0.000 1.883 5543 A HA -0.187 4.133 4.320 0.000 0.000 0.217 5543 A C 2.131 179.657 177.584 -0.096 0.000 1.186 5543 A CA 1.912 53.906 52.037 -0.073 0.000 0.624 5543 A CB -0.635 18.388 19.000 0.039 0.000 0.822 5543 A HN 0.517 nan 8.150 nan 0.000 0.444 5544 E N -0.470 119.703 120.200 -0.044 0.000 2.110 5544 E HA -0.139 4.211 4.350 0.000 0.000 0.193 5544 E C 2.163 178.724 176.600 -0.066 0.000 0.988 5544 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 5544 E CB -0.691 29.005 29.700 -0.006 0.000 0.745 5544 E HN 0.599 nan 8.360 nan 0.000 0.458 5545 G N 1.474 110.218 108.800 -0.094 0.000 2.402 5545 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 5545 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 5545 G C 1.607 176.412 174.900 -0.157 0.000 1.162 5545 G CA 0.338 45.374 45.100 -0.106 0.000 0.777 5545 G HN 0.116 nan 8.290 nan 0.000 0.539 5546 I N 0.339 120.751 120.570 -0.263 0.000 2.202 5546 I HA -0.011 4.159 4.170 0.000 0.000 0.242 5546 I C 1.706 177.742 176.117 -0.135 0.000 1.091 5546 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 5546 I CB -1.169 36.619 38.000 -0.354 0.000 1.058 5546 I HN 0.324 nan 8.210 nan 0.000 0.410 5547 S N -1.226 114.408 115.700 -0.110 0.000 3.513 5547 S HA -0.105 4.365 4.470 0.000 0.000 0.636 5547 S C 0.714 175.282 174.600 -0.055 0.000 2.452 5547 S CA 1.397 59.558 58.200 -0.065 0.000 2.644 5547 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 5547 S HN 1.473 nan 8.310 nan 0.000 1.787 5548 G N 0.745 109.523 108.800 -0.037 0.000 2.575 5548 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 5548 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 5548 G C 0.089 174.976 174.900 -0.023 0.000 1.264 5548 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 5548 G HN 1.197 nan 8.290 nan 0.000 0.568 5549 R N 0.563 121.052 120.500 -0.019 0.000 2.240 5549 R HA 0.249 4.589 4.340 0.000 0.000 0.203 5549 R C 2.411 178.703 176.300 -0.013 0.000 1.011 5549 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 5549 R CB -0.312 29.983 30.300 -0.008 0.000 0.911 5549 R HN 0.620 nan 8.270 nan 0.000 0.468 5550 E N 0.398 120.584 120.200 -0.024 0.000 2.153 5550 E HA -0.182 4.168 4.350 0.000 0.000 0.194 5550 E C 1.704 178.293 176.600 -0.017 0.000 0.988 5550 E CA 0.841 57.225 56.400 -0.025 0.000 0.811 5550 E CB -0.089 29.586 29.700 -0.043 0.000 0.746 5550 E HN 0.191 nan 8.360 nan 0.000 0.466 5551 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 5551 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 5551 Q C 1.990 178.004 176.000 0.024 0.000 0.976 5551 Q CA 1.093 56.885 55.803 -0.019 0.000 0.858 5551 Q CB -0.062 28.658 28.738 -0.030 0.000 0.907 5551 Q HN 0.385 nan 8.270 nan 0.000 0.433 5552 L N 0.040 121.278 121.223 0.024 0.000 2.056 5552 L HA -0.124 4.216 4.340 0.000 0.000 0.207 5552 L C 2.627 179.546 176.870 0.083 0.000 1.078 5552 L CA 1.147 56.013 54.840 0.043 0.000 0.749 5552 L CB -0.682 41.392 42.059 0.025 0.000 0.901 5552 L HN 0.156 nan 8.230 nan 0.000 0.433 5553 A N -0.390 122.473 122.820 0.073 0.000 1.898 5553 A HA -0.105 4.215 4.320 0.000 0.000 0.216 5553 A C 2.316 180.079 177.584 0.298 0.000 1.181 5553 A CA 1.446 53.556 52.037 0.122 0.000 0.620 5553 A CB -0.706 18.281 19.000 -0.022 0.000 0.819 5553 A HN 0.179 nan 8.150 nan 0.000 0.442 5554 V N 0.020 120.055 119.914 0.202 0.000 2.427 5554 V HA -0.202 3.918 4.120 0.000 0.000 0.248 5554 V C 2.651 178.894 176.094 0.249 0.000 1.051 5554 V CA 2.243 64.683 62.300 0.233 0.000 1.048 5554 V CB -0.785 31.124 31.823 0.144 0.000 0.666 5554 V HN 0.615 nan 8.190 nan 0.000 0.456 5555 R N 1.176 121.780 120.500 0.173 0.000 2.081 5555 R HA -0.079 4.262 4.340 0.000 0.000 0.235 5555 R C 2.146 178.537 176.300 0.151 0.000 1.131 5555 R CA 1.892 58.075 56.100 0.138 0.000 0.960 5555 R CB -0.929 29.424 30.300 0.088 0.000 0.856 5555 R HN 0.439 nan 8.270 nan 0.000 0.436 5556 A N -0.470 122.465 122.820 0.192 0.000 1.902 5556 A HA -0.125 4.195 4.320 0.000 0.000 0.217 5556 A C 2.176 179.858 177.584 0.163 0.000 1.181 5556 A CA 1.363 53.514 52.037 0.190 0.000 0.623 5556 A CB -0.849 18.309 19.000 0.264 0.000 0.818 5556 A HN 0.485 nan 8.150 nan 0.000 0.443 5557 F N 0.932 120.931 119.950 0.081 0.000 2.075 5557 F HA -0.091 4.436 4.527 0.000 0.000 0.297 5557 F C 2.558 178.310 175.800 -0.080 0.000 1.113 5557 F CA 1.494 59.413 58.000 -0.135 0.000 1.218 5557 F CB -0.345 38.593 39.000 -0.102 0.000 0.984 5557 F HN 0.250 nan 8.300 nan 0.000 0.472 5558 A N -0.141 122.819 122.820 0.233 0.000 1.940 5558 A HA -0.212 4.108 4.320 0.000 0.000 0.219 5558 A C 1.878 179.453 177.584 -0.014 0.000 1.176 5558 A CA 2.110 54.222 52.037 0.126 0.000 0.631 5558 A CB -0.953 18.142 19.000 0.158 0.000 0.814 5558 A HN 0.472 nan 8.150 nan 0.000 0.446 5559 D N -0.198 120.196 120.400 -0.010 0.000 2.183 5559 D HA 0.068 4.708 4.640 0.000 0.000 0.203 5559 D C 2.170 178.414 176.300 -0.093 0.000 0.969 5559 D CA 1.221 55.199 54.000 -0.036 0.000 0.842 5559 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 5559 D HN 0.414 nan 8.370 nan 0.000 0.484 5560 A N 0.731 123.457 122.820 -0.156 0.000 1.972 5560 A HA -0.119 4.201 4.320 0.000 0.000 0.219 5560 A C 2.241 179.682 177.584 -0.239 0.000 1.169 5560 A CA 0.793 52.700 52.037 -0.216 0.000 0.635 5560 A CB -0.729 18.071 19.000 -0.333 0.000 0.810 5560 A HN 0.235 nan 8.150 nan 0.000 0.446 5561 L N -0.417 120.645 121.223 -0.269 0.000 2.265 5561 L HA -0.122 4.218 4.340 0.000 0.000 0.215 5561 L C 1.961 178.746 176.870 -0.142 0.000 1.117 5561 L CA 0.734 55.441 54.840 -0.223 0.000 0.782 5561 L CB -0.467 41.470 42.059 -0.203 0.000 0.914 5561 L HN 0.316 nan 8.230 nan 0.000 0.441 5562 E N -0.227 119.903 120.200 -0.117 0.000 2.478 5562 E HA -0.115 4.235 4.350 0.000 0.000 0.198 5562 E C 2.180 178.733 176.600 -0.079 0.000 1.046 5562 E CA 0.516 56.863 56.400 -0.088 0.000 0.870 5562 E CB -0.077 29.581 29.700 -0.070 0.000 0.818 5562 E HN 0.294 nan 8.360 nan 0.000 0.527 5563 V N 0.978 120.839 119.914 -0.090 0.000 2.594 5563 V HA -0.204 3.916 4.120 0.000 0.000 0.253 5563 V C 1.819 177.872 176.094 -0.068 0.000 1.069 5563 V CA 0.958 63.213 62.300 -0.076 0.000 1.082 5563 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 5563 V HN 0.132 nan 8.190 nan 0.000 0.469 5564 I N 0.551 121.077 120.570 -0.073 0.000 2.193 5564 I HA -0.017 4.153 4.170 0.000 0.000 0.240 5564 I C 0.197 176.283 176.117 -0.052 0.000 1.084 5564 I CA 1.368 62.631 61.300 -0.062 0.000 1.365 5564 I CB -2.824 35.138 38.000 -0.064 0.000 1.064 5564 I HN 0.319 nan 8.210 nan 0.000 0.410 5565 P HA -0.170 nan 4.420 nan 0.000 0.216 5565 P C 1.849 179.124 177.300 -0.042 0.000 1.150 5565 P CA 1.572 64.645 63.100 -0.045 0.000 0.843 5565 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 5566 R N -0.226 120.246 120.500 -0.046 0.000 2.073 5566 R HA -0.108 4.232 4.340 0.000 0.000 0.234 5566 R C 1.951 178.226 176.300 -0.041 0.000 1.134 5566 R CA 2.332 58.407 56.100 -0.042 0.000 0.952 5566 R CB -0.846 29.428 30.300 -0.043 0.000 0.850 5566 R HN 0.242 nan 8.270 nan 0.000 0.433 5567 T N -0.950 113.578 114.554 -0.044 0.000 3.043 5567 T HA -0.055 4.295 4.350 0.000 0.000 0.263 5567 T C 1.778 176.450 174.700 -0.046 0.000 1.094 5567 T CA 0.540 62.614 62.100 -0.044 0.000 1.127 5567 T CB -0.095 68.746 68.868 -0.044 0.000 0.905 5567 T HN 0.173 nan 8.240 nan 0.000 0.490 5568 L N 1.876 123.071 121.223 -0.047 0.000 2.027 5568 L HA 0.278 4.618 4.340 0.000 0.000 0.206 5568 L C 2.770 179.606 176.870 -0.056 0.000 1.074 5568 L CA 1.890 56.699 54.840 -0.052 0.000 0.745 5568 L CB -1.167 40.864 42.059 -0.046 0.000 0.898 5568 L HN 0.314 nan 8.230 nan 0.000 0.433 5569 A N -1.096 121.696 122.820 -0.046 0.000 1.929 5569 A HA -0.190 4.130 4.320 0.000 0.000 0.216 5569 A C 2.297 179.856 177.584 -0.043 0.000 1.176 5569 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 5569 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 5569 A HN 0.595 nan 8.150 nan 0.000 0.444 5570 E N 0.160 120.336 120.200 -0.040 0.000 2.038 5570 E HA -0.250 4.101 4.350 0.000 0.000 0.195 5570 E C 1.584 178.160 176.600 -0.040 0.000 1.000 5570 E CA 1.549 57.928 56.400 -0.036 0.000 0.803 5570 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 5570 E HN 0.536 nan 8.360 nan 0.000 0.448 5571 N N 0.208 118.881 118.700 -0.046 0.000 2.309 5571 N HA -0.092 4.648 4.740 0.000 0.000 0.182 5571 N C 1.413 176.887 175.510 -0.060 0.000 1.018 5571 N CA 1.108 54.128 53.050 -0.050 0.000 0.876 5571 N CB -0.296 38.160 38.487 -0.053 0.000 0.972 5571 N HN 0.235 nan 8.380 nan 0.000 0.434 5572 A N 0.029 122.808 122.820 -0.069 0.000 2.119 5572 A HA 0.266 4.586 4.320 0.000 0.000 0.217 5572 A C 1.533 179.080 177.584 -0.061 0.000 1.153 5572 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 5572 A CB -0.512 18.432 19.000 -0.094 0.000 0.799 5572 A HN 0.336 nan 8.150 nan 0.000 0.458 5573 G N -1.599 107.172 108.800 -0.047 0.000 2.137 5573 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 5573 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 5573 G C -0.020 174.861 174.900 -0.030 0.000 1.002 5573 G CA 0.352 45.431 45.100 -0.036 0.000 0.702 5573 G HN 0.459 nan 8.290 nan 0.000 0.515 5574 L N 0.073 121.277 121.223 -0.032 0.000 2.352 5574 L HA 0.478 4.819 4.340 0.000 0.000 0.269 5574 L C 0.475 177.332 176.870 -0.022 0.000 1.034 5574 L CA -1.109 53.715 54.840 -0.026 0.000 0.806 5574 L CB 0.964 43.007 42.059 -0.028 0.000 1.244 5574 L HN 0.090 nan 8.230 nan 0.000 0.447 5575 D N 1.110 121.500 120.400 -0.017 0.000 2.363 5575 D HA 0.060 4.700 4.640 0.000 0.000 0.263 5575 D C 0.785 177.075 176.300 -0.016 0.000 1.258 5575 D CA 0.221 54.212 54.000 -0.015 0.000 0.907 5575 D CB 1.716 42.509 40.800 -0.011 0.000 1.107 5575 D HN 0.649 nan 8.370 nan 0.000 0.495 5576 A N 5.419 128.228 122.820 -0.019 0.000 1.917 5576 A HA -0.205 4.115 4.320 0.000 0.000 0.219 5576 A C 2.107 179.680 177.584 -0.018 0.000 1.182 5576 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 5576 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 5576 A HN 0.704 nan 8.150 nan 0.000 0.448 5577 I N -0.330 120.232 120.570 -0.014 0.000 2.193 5577 I HA -0.105 4.065 4.170 0.000 0.000 0.240 5577 I C 2.378 178.490 176.117 -0.009 0.000 1.084 5577 I CA 1.135 62.428 61.300 -0.011 0.000 1.365 5577 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 5577 I HN 0.310 nan 8.210 nan 0.000 0.410 5578 E N 0.717 120.912 120.200 -0.007 0.000 2.110 5578 E HA -0.145 4.205 4.350 0.000 0.000 0.193 5578 E C 2.303 178.902 176.600 -0.003 0.000 0.988 5578 E CA 0.916 57.314 56.400 -0.004 0.000 0.804 5578 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 5578 E HN 0.347 nan 8.360 nan 0.000 0.458 5579 I N 0.605 121.172 120.570 -0.006 0.000 2.163 5579 I HA -0.225 3.945 4.170 0.000 0.000 0.240 5579 I C 2.326 178.440 176.117 -0.005 0.000 1.081 5579 I CA 0.779 62.076 61.300 -0.005 0.000 1.353 5579 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 5579 I HN 0.119 nan 8.210 nan 0.000 0.407 5580 L N 0.109 121.326 121.223 -0.010 0.000 2.083 5580 L HA -0.151 4.189 4.340 0.000 0.000 0.209 5580 L C 2.548 179.414 176.870 -0.007 0.000 1.083 5580 L CA 1.313 56.145 54.840 -0.014 0.000 0.752 5580 L CB -0.983 41.065 42.059 -0.020 0.000 0.899 5580 L HN 0.001 nan 8.230 nan 0.000 0.433 5581 V N -1.227 118.685 119.914 -0.003 0.000 2.323 5581 V HA -0.223 3.897 4.120 0.000 0.000 0.244 5581 V C 2.504 178.604 176.094 0.010 0.000 1.041 5581 V CA 1.319 63.620 62.300 0.003 0.000 1.025 5581 V CB -0.381 31.443 31.823 0.003 0.000 0.656 5581 V HN 0.285 nan 8.190 nan 0.000 0.451 5582 K N -0.081 120.325 120.400 0.010 0.000 2.148 5582 K HA -0.050 4.270 4.320 0.000 0.000 0.204 5582 K C 1.887 178.503 176.600 0.026 0.000 1.050 5582 K CA 0.954 57.251 56.287 0.016 0.000 0.942 5582 K CB -0.530 31.977 32.500 0.013 0.000 0.724 5582 K HN 0.305 nan 8.250 nan 0.000 0.446 5583 V N 0.550 120.479 119.914 0.025 0.000 2.323 5583 V HA -0.169 3.952 4.120 0.000 0.000 0.244 5583 V C 2.140 178.271 176.094 0.063 0.000 1.041 5583 V CA 1.536 63.860 62.300 0.040 0.000 1.025 5583 V CB -0.305 31.532 31.823 0.023 0.000 0.656 5583 V HN 0.244 nan 8.190 nan 0.000 0.451 5584 R N 0.091 120.612 120.500 0.034 0.000 2.096 5584 R HA -0.103 4.237 4.340 0.000 0.000 0.235 5584 R C 2.418 178.764 176.300 0.077 0.000 1.127 5584 R CA 1.423 57.547 56.100 0.040 0.000 0.968 5584 R CB -0.546 29.755 30.300 0.001 0.000 0.861 5584 R HN 0.534 nan 8.270 nan 0.000 0.440 5585 A N 1.250 124.102 122.820 0.052 0.000 1.877 5585 A HA -0.101 4.219 4.320 0.000 0.000 0.216 5585 A C 2.364 179.980 177.584 0.053 0.000 1.186 5585 A CA 1.674 53.739 52.037 0.046 0.000 0.620 5585 A CB -0.587 18.431 19.000 0.029 0.000 0.822 5585 A HN 0.387 nan 8.150 nan 0.000 0.443 5586 A N -1.203 121.651 122.820 0.056 0.000 1.930 5586 A HA -0.143 4.177 4.320 0.000 0.000 0.217 5586 A C 1.991 179.607 177.584 0.053 0.000 1.175 5586 A CA 2.010 54.075 52.037 0.046 0.000 0.627 5586 A CB -0.832 18.194 19.000 0.044 0.000 0.815 5586 A HN 0.773 nan 8.150 nan 0.000 0.443 5587 H N -0.248 118.826 119.070 0.006 0.000 2.321 5587 H HA 0.045 4.601 4.556 0.000 0.000 0.300 5587 H C 2.206 177.539 175.328 0.008 0.000 1.087 5587 H CA 1.979 58.031 56.048 0.007 0.000 1.319 5587 H CB -0.135 29.631 29.762 0.006 0.000 1.379 5587 H HN 0.400 nan 8.280 nan 0.000 0.501 5588 A N -0.786 122.122 122.820 0.147 0.000 1.930 5588 A HA -0.142 4.179 4.320 0.000 0.000 0.217 5588 A C 2.528 180.124 177.584 0.019 0.000 1.175 5588 A CA 1.752 53.843 52.037 0.090 0.000 0.627 5588 A CB -0.905 18.149 19.000 0.091 0.000 0.815 5588 A HN 0.497 nan 8.150 nan 0.000 0.443 5589 S N -0.410 115.296 115.700 0.011 0.000 2.341 5589 S HA -0.088 4.382 4.470 0.000 0.000 0.216 5589 S C 1.856 176.441 174.600 -0.025 0.000 1.034 5589 S CA 1.255 59.453 58.200 -0.002 0.000 0.964 5589 S CB -0.348 62.855 63.200 0.006 0.000 0.882 5589 S HN 0.610 nan 8.310 nan 0.000 0.469 5590 N N 0.737 119.414 118.700 -0.039 0.000 2.368 5590 N HA 0.291 5.031 4.740 0.000 0.000 0.176 5590 N C 1.012 176.463 175.510 -0.097 0.000 1.021 5590 N CA 1.003 54.021 53.050 -0.053 0.000 0.888 5590 N CB 0.228 38.692 38.487 -0.039 0.000 0.995 5590 N HN 0.599 nan 8.380 nan 0.000 0.437 5591 G N 0.764 109.454 108.800 -0.183 0.000 2.373 5591 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 5591 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 5591 G C -0.197 174.413 174.900 -0.483 0.000 1.267 5591 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 5591 G HN 0.320 nan 8.290 nan 0.000 0.497 5592 N N -0.714 117.734 118.700 -0.418 0.000 2.412 5592 N HA 0.121 4.861 4.740 0.000 0.000 0.184 5592 N C 1.272 176.748 175.510 -0.057 0.000 1.101 5592 N CA 1.042 53.951 53.050 -0.236 0.000 0.881 5592 N CB 0.327 38.807 38.487 -0.011 0.000 0.969 5592 N HN 0.369 nan 8.380 nan 0.000 0.459 5593 K N -0.289 120.068 120.400 -0.072 0.000 2.358 5593 K HA 0.286 4.606 4.320 0.000 0.000 0.200 5593 K C -0.421 176.161 176.600 -0.031 0.000 1.030 5593 K CA -0.007 56.261 56.287 -0.032 0.000 1.097 5593 K CB 0.312 32.796 32.500 -0.027 0.000 0.862 5593 K HN 0.202 nan 8.250 nan 0.000 0.534 5594 C N 1.187 120.457 119.300 -0.051 0.000 3.206 5594 C HA 0.724 5.184 4.460 0.000 0.000 0.206 5594 C C 0.501 175.477 174.990 -0.024 0.000 1.836 5594 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 5594 C CB -0.605 27.107 27.740 -0.047 0.000 2.405 5594 C HN 0.424 nan 8.230 nan 0.000 0.516 5595 A N 0.058 122.882 122.820 0.007 0.000 3.963 5595 A HA 0.966 5.286 4.320 0.000 0.000 0.283 5595 A C 0.048 177.675 177.584 0.071 0.000 1.085 5595 A CA 0.332 52.401 52.037 0.053 0.000 0.591 5595 A CB -0.171 18.886 19.000 0.095 0.000 1.632 5595 A HN 2.013 nan 8.150 nan 0.000 0.761 5596 G N -2.005 106.855 108.800 0.100 0.000 2.787 5596 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 5596 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 5596 G C -0.699 174.233 174.900 0.054 0.000 1.437 5596 G CA -0.016 45.128 45.100 0.073 0.000 0.872 5596 G HN 2.092 nan 8.290 nan 0.000 0.566 5597 L N 1.031 122.279 121.223 0.042 0.000 2.276 5597 L HA 0.601 4.941 4.340 0.000 0.000 0.286 5597 L C 0.591 177.494 176.870 0.054 0.000 1.061 5597 L CA -0.668 54.193 54.840 0.034 0.000 0.807 5597 L CB 1.272 43.337 42.059 0.011 0.000 1.177 5597 L HN 0.698 nan 8.230 nan 0.000 0.429 5598 N N 4.233 122.973 118.700 0.066 0.000 2.699 5598 N HA 0.109 4.849 4.740 0.000 0.000 0.232 5598 N C 0.925 176.484 175.510 0.082 0.000 1.027 5598 N CA -0.127 52.994 53.050 0.119 0.000 0.920 5598 N CB 1.137 39.702 38.487 0.128 0.000 1.148 5598 N HN 0.703 nan 8.380 nan 0.000 0.509 5599 V N 1.620 121.538 119.914 0.007 0.000 2.913 5599 V HA -0.075 4.045 4.120 0.000 0.000 0.260 5599 V C 1.514 177.524 176.094 -0.140 0.000 1.098 5599 V CA 1.014 63.248 62.300 -0.109 0.000 1.121 5599 V CB -1.131 30.560 31.823 -0.220 0.000 0.714 5599 V HN 0.408 nan 8.190 nan 0.000 0.487 5600 F N 2.697 122.646 119.950 -0.001 0.000 2.134 5600 F HA -0.097 4.430 4.527 0.000 0.000 0.299 5600 F C 2.772 178.571 175.800 -0.001 0.000 1.097 5600 F CA 2.153 60.153 58.000 -0.001 0.000 1.264 5600 F CB -0.655 38.344 39.000 -0.001 0.000 1.001 5600 F HN 0.385 nan 8.300 nan 0.000 0.479 5601 T N -3.698 110.964 114.554 0.181 0.000 3.044 5601 T HA 0.374 4.724 4.350 0.000 0.000 0.250 5601 T C 1.496 176.227 174.700 0.051 0.000 1.081 5601 T CA 0.416 62.573 62.100 0.095 0.000 1.040 5601 T CB 0.181 69.095 68.868 0.077 0.000 0.962 5601 T HN 0.427 nan 8.240 nan 0.000 0.506 5602 G N 0.958 109.781 108.800 0.037 0.000 2.248 5602 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 5602 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 5602 G C 0.054 174.961 174.900 0.012 0.000 1.082 5602 G CA -0.228 44.877 45.100 0.007 0.000 0.863 5602 G HN 1.396 nan 8.290 nan 0.000 0.495 5603 A N -1.637 121.197 122.820 0.023 0.000 2.612 5603 A HA 0.891 5.211 4.320 0.000 0.000 0.293 5603 A C 0.039 177.641 177.584 0.029 0.000 1.075 5603 A CA 0.121 52.171 52.037 0.022 0.000 0.680 5603 A CB 1.531 20.545 19.000 0.023 0.000 1.279 5603 A HN 1.805 nan 8.150 nan 0.000 0.411 5604 V N 1.674 121.603 119.914 0.025 0.000 2.673 5604 V HA 0.434 4.554 4.120 0.000 0.000 0.303 5604 V C -0.042 176.071 176.094 0.032 0.000 1.046 5604 V CA 0.952 63.270 62.300 0.030 0.000 1.126 5604 V CB 0.458 32.298 31.823 0.029 0.000 0.934 5604 V HN 0.918 nan 8.190 nan 0.000 0.487 5605 E N 3.866 124.089 120.200 0.038 0.000 2.390 5605 E HA 0.383 4.733 4.350 0.000 0.000 0.242 5605 E C -1.477 175.141 176.600 0.031 0.000 0.907 5605 E CA -0.668 55.752 56.400 0.033 0.000 0.884 5605 E CB 0.843 30.567 29.700 0.040 0.000 1.788 5605 E HN 0.719 nan 8.360 nan 0.000 0.427 5606 D N 1.312 121.727 120.400 0.024 0.000 2.460 5606 D HA 0.186 4.826 4.640 0.000 0.000 0.232 5606 D C 0.799 177.111 176.300 0.020 0.000 1.079 5606 D CA -0.278 53.732 54.000 0.017 0.000 0.864 5606 D CB 0.675 41.479 40.800 0.006 0.000 1.048 5606 D HN 0.186 nan 8.370 nan 0.000 0.523 5607 M N 1.826 121.443 119.600 0.029 0.000 2.132 5607 M HA -0.120 4.360 4.480 0.000 0.000 0.263 5607 M C 2.339 178.650 176.300 0.017 0.000 1.065 5607 M CA 0.697 56.016 55.300 0.031 0.000 1.122 5607 M CB -1.200 31.425 32.600 0.043 0.000 1.365 5607 M HN 0.554 nan 8.290 nan 0.000 0.411 5608 C N 0.766 120.073 119.300 0.013 0.000 2.436 5608 C HA -0.186 4.274 4.460 0.000 0.000 0.277 5608 C C 2.686 177.675 174.990 -0.001 0.000 1.241 5608 C CA 1.689 60.710 59.018 0.005 0.000 1.721 5608 C CB -0.863 26.878 27.740 0.001 0.000 2.043 5608 C HN 0.582 nan 8.230 nan 0.000 0.472 5609 E N 1.068 121.267 120.200 -0.002 0.000 2.150 5609 E HA -0.108 4.242 4.350 0.000 0.000 0.193 5609 E C 1.658 178.253 176.600 -0.009 0.000 0.985 5609 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 5609 E CB -0.467 29.229 29.700 -0.005 0.000 0.752 5609 E HN 0.645 nan 8.360 nan 0.000 0.466 5610 N N -0.228 118.467 118.700 -0.007 0.000 2.521 5610 N HA 0.035 4.775 4.740 0.000 0.000 0.188 5610 N C 0.661 176.156 175.510 -0.026 0.000 1.146 5610 N CA 0.963 54.003 53.050 -0.017 0.000 0.893 5610 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 5610 N HN 0.306 nan 8.380 nan 0.000 0.451 5611 G N -0.136 108.654 108.800 -0.018 0.000 2.153 5611 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 5611 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 5611 G C -0.089 174.801 174.900 -0.017 0.000 0.994 5611 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 5611 G HN 0.202 nan 8.290 nan 0.000 0.521 5612 V N 1.442 121.352 119.914 -0.006 0.000 2.267 5612 V HA 0.514 4.634 4.120 0.000 0.000 0.254 5612 V C 0.751 176.854 176.094 0.016 0.000 1.144 5612 V CA 0.077 62.382 62.300 0.008 0.000 0.992 5612 V CB 0.548 32.389 31.823 0.029 0.000 1.199 5612 V HN 1.035 nan 8.190 nan 0.000 0.493 5613 V N 1.795 121.715 119.914 0.011 0.000 3.007 5613 V HA 0.911 5.031 4.120 0.000 0.000 0.311 5613 V C -0.697 175.404 176.094 0.012 0.000 1.120 5613 V CA -0.743 61.564 62.300 0.012 0.000 0.980 5613 V CB 2.509 34.336 31.823 0.007 0.000 1.033 5613 V HN 0.688 nan 8.190 nan 0.000 0.429 5614 E N 1.719 121.927 120.200 0.012 0.000 2.393 5614 E HA 0.646 4.996 4.350 0.000 0.000 0.273 5614 E C -3.273 173.332 176.600 0.008 0.000 0.918 5614 E CA -2.369 54.038 56.400 0.011 0.000 0.773 5614 E CB 2.051 31.759 29.700 0.013 0.000 1.275 5614 E HN 0.457 nan 8.360 nan 0.000 0.451 5615 P HA -0.019 nan 4.420 nan 0.000 0.266 5615 P C 0.804 178.107 177.300 0.005 0.000 1.195 5615 P CA -0.259 62.844 63.100 0.005 0.000 0.768 5615 P CB 0.453 32.155 31.700 0.003 0.000 0.838 5616 L N 4.444 125.669 121.223 0.005 0.000 2.046 5616 L HA -0.135 4.205 4.340 0.000 0.000 0.208 5616 L C 2.401 179.274 176.870 0.005 0.000 1.077 5616 L CA 1.791 56.634 54.840 0.005 0.000 0.747 5616 L CB -0.847 41.214 42.059 0.004 0.000 0.896 5616 L HN 0.294 nan 8.230 nan 0.000 0.432 5617 R N -0.970 119.532 120.500 0.004 0.000 2.117 5617 R HA -0.177 4.163 4.340 0.000 0.000 0.243 5617 R C 2.026 178.328 176.300 0.004 0.000 1.143 5617 R CA 1.991 58.093 56.100 0.003 0.000 0.968 5617 R CB -0.400 29.902 30.300 0.003 0.000 0.863 5617 R HN 0.378 nan 8.270 nan 0.000 0.444 5618 V N 1.285 121.201 119.914 0.004 0.000 2.332 5618 V HA -0.254 3.866 4.120 0.000 0.000 0.248 5618 V C 2.284 178.380 176.094 0.002 0.000 1.055 5618 V CA 1.850 64.152 62.300 0.003 0.000 1.038 5618 V CB -0.347 31.478 31.823 0.003 0.000 0.651 5618 V HN 0.309 nan 8.190 nan 0.000 0.450 5619 K N 0.231 120.633 120.400 0.003 0.000 2.186 5619 K HA -0.035 4.285 4.320 0.000 0.000 0.202 5619 K C 2.263 178.867 176.600 0.007 0.000 1.052 5619 K CA 1.652 57.941 56.287 0.003 0.000 0.965 5619 K CB -0.674 31.829 32.500 0.005 0.000 0.746 5619 K HN 0.718 nan 8.250 nan 0.000 0.457 5620 T N -1.210 113.348 114.554 0.008 0.000 2.978 5620 T HA -0.083 4.267 4.350 0.000 0.000 0.262 5620 T C 2.016 176.724 174.700 0.012 0.000 1.063 5620 T CA 0.699 62.806 62.100 0.010 0.000 1.140 5620 T CB 0.037 68.909 68.868 0.007 0.000 0.886 5620 T HN -0.047 nan 8.240 nan 0.000 0.470 5621 Q N 1.826 121.631 119.800 0.009 0.000 2.123 5621 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 5621 Q C 2.408 178.415 176.000 0.011 0.000 0.966 5621 Q CA 1.608 57.416 55.803 0.009 0.000 0.845 5621 Q CB -0.924 27.818 28.738 0.006 0.000 0.907 5621 Q HN 0.624 nan 8.270 nan 0.000 0.439 5622 A N 0.572 123.397 122.820 0.007 0.000 1.883 5622 A HA -0.173 4.147 4.320 0.000 0.000 0.217 5622 A C 1.952 179.543 177.584 0.011 0.000 1.186 5622 A CA 1.588 53.626 52.037 0.002 0.000 0.624 5622 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 5622 A HN 0.451 nan 8.150 nan 0.000 0.444 5623 I N -0.133 120.452 120.570 0.025 0.000 2.179 5623 I HA -0.264 3.906 4.170 0.000 0.000 0.242 5623 I C 2.660 178.819 176.117 0.069 0.000 1.088 5623 I CA 1.661 62.998 61.300 0.063 0.000 1.357 5623 I CB -1.633 36.413 38.000 0.077 0.000 1.051 5623 I HN 0.493 nan 8.210 nan 0.000 0.409 5624 Q N 0.202 120.028 119.800 0.043 0.000 1.993 5624 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 5624 Q C 2.464 178.488 176.000 0.040 0.000 0.984 5624 Q CA 2.203 58.028 55.803 0.037 0.000 0.837 5624 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 5624 Q HN 0.376 nan 8.270 nan 0.000 0.423 5625 S N 0.503 116.221 115.700 0.030 0.000 2.383 5625 S HA -0.130 4.340 4.470 0.000 0.000 0.227 5625 S C 1.985 176.604 174.600 0.031 0.000 1.026 5625 S CA 0.927 59.143 58.200 0.027 0.000 0.981 5625 S CB -0.263 62.948 63.200 0.017 0.000 0.818 5625 S HN 0.477 nan 8.310 nan 0.000 0.472 5626 A N 1.631 124.468 122.820 0.028 0.000 1.873 5626 A HA 0.155 4.475 4.320 0.000 0.000 0.215 5626 A C 2.363 179.978 177.584 0.051 0.000 1.186 5626 A CA 1.648 53.698 52.037 0.022 0.000 0.616 5626 A CB -1.134 17.862 19.000 -0.007 0.000 0.823 5626 A HN 0.505 nan 8.150 nan 0.000 0.442 5627 A N -0.529 122.345 122.820 0.090 0.000 1.898 5627 A HA -0.119 4.201 4.320 0.000 0.000 0.216 5627 A C 1.943 179.602 177.584 0.125 0.000 1.181 5627 A CA 1.674 53.801 52.037 0.150 0.000 0.620 5627 A CB -0.369 18.747 19.000 0.195 0.000 0.819 5627 A HN 0.453 nan 8.150 nan 0.000 0.442 5628 E N 0.134 120.385 120.200 0.085 0.000 2.107 5628 E HA -0.055 4.295 4.350 0.000 0.000 0.191 5628 E C 2.242 178.881 176.600 0.065 0.000 0.982 5628 E CA 1.242 57.684 56.400 0.070 0.000 0.809 5628 E CB -0.422 29.308 29.700 0.049 0.000 0.756 5628 E HN 0.538 nan 8.360 nan 0.000 0.459 5629 S N 0.426 116.160 115.700 0.057 0.000 2.406 5629 S HA -0.055 4.415 4.470 0.000 0.000 0.228 5629 S C 2.039 176.675 174.600 0.060 0.000 1.020 5629 S CA 1.066 59.296 58.200 0.049 0.000 0.965 5629 S CB -0.109 63.113 63.200 0.036 0.000 0.798 5629 S HN 0.255 nan 8.310 nan 0.000 0.488 5630 T N 1.848 116.448 114.554 0.078 0.000 2.777 5630 T HA -0.085 4.265 4.350 0.000 0.000 0.266 5630 T C 1.847 176.623 174.700 0.128 0.000 1.040 5630 T CA 1.045 63.207 62.100 0.103 0.000 1.141 5630 T CB -0.252 68.694 68.868 0.131 0.000 0.868 5630 T HN 0.356 nan 8.240 nan 0.000 0.444 5631 E N 0.964 121.247 120.200 0.138 0.000 2.110 5631 E HA -0.154 4.196 4.350 0.000 0.000 0.193 5631 E C 2.168 178.812 176.600 0.074 0.000 0.988 5631 E CA 0.868 57.337 56.400 0.115 0.000 0.804 5631 E CB -0.268 29.497 29.700 0.107 0.000 0.745 5631 E HN 0.331 nan 8.360 nan 0.000 0.458 5632 M N 0.938 120.577 119.600 0.065 0.000 2.067 5632 M HA -0.164 4.316 4.480 0.000 0.000 0.260 5632 M C 2.495 178.824 176.300 0.049 0.000 1.069 5632 M CA 1.145 56.476 55.300 0.051 0.000 1.117 5632 M CB -0.862 31.765 32.600 0.046 0.000 1.334 5632 M HN 0.276 nan 8.290 nan 0.000 0.407 5633 L N 0.675 121.929 121.223 0.052 0.000 2.013 5633 L HA -0.264 4.076 4.340 0.000 0.000 0.212 5633 L C 2.284 179.180 176.870 0.043 0.000 1.073 5633 L CA 1.461 56.329 54.840 0.048 0.000 0.753 5633 L CB -0.393 41.692 42.059 0.044 0.000 0.890 5633 L HN 0.356 nan 8.230 nan 0.000 0.432 5634 L N -0.643 120.609 121.223 0.049 0.000 2.201 5634 L HA -0.191 4.149 4.340 0.000 0.000 0.212 5634 L C 2.720 179.602 176.870 0.021 0.000 1.105 5634 L CA 0.912 55.772 54.840 0.033 0.000 0.775 5634 L CB -0.522 41.562 42.059 0.042 0.000 0.913 5634 L HN 0.315 nan 8.230 nan 0.000 0.440 5635 R N 0.189 120.708 120.500 0.031 0.000 2.193 5635 R HA -0.017 4.323 4.340 0.000 0.000 0.213 5635 R C 0.627 176.944 176.300 0.028 0.000 1.055 5635 R CA 0.275 56.393 56.100 0.029 0.000 0.995 5635 R CB 0.306 30.626 30.300 0.034 0.000 0.893 5635 R HN 0.104 nan 8.270 nan 0.000 0.459 5636 I N 3.083 123.673 120.570 0.033 0.000 2.471 5636 I HA -0.021 4.149 4.170 0.000 0.000 0.286 5636 I C 0.188 176.326 176.117 0.035 0.000 1.079 5636 I CA 0.307 61.629 61.300 0.037 0.000 1.398 5636 I CB 1.125 39.153 38.000 0.047 0.000 1.403 5636 I HN 0.219 nan 8.210 nan 0.000 0.530 5637 D N 2.694 123.115 120.400 0.034 0.000 2.540 5637 D HA 0.152 4.792 4.640 0.000 0.000 0.229 5637 D C -0.207 176.119 176.300 0.045 0.000 1.250 5637 D CA -0.137 53.883 54.000 0.033 0.000 0.817 5637 D CB 0.461 41.272 40.800 0.018 0.000 1.060 5637 D HN 0.360 nan 8.370 nan 0.000 0.508 5638 D N 0.210 120.640 120.400 0.050 0.000 2.738 5638 D HA 0.265 4.905 4.640 0.000 0.000 0.218 5638 D C -1.647 174.685 176.300 0.054 0.000 1.345 5638 D CA -0.440 53.591 54.000 0.051 0.000 0.943 5638 D CB 1.997 42.815 40.800 0.031 0.000 1.514 5638 D HN -0.163 nan 8.370 nan 0.000 0.585 5639 V N 4.354 124.313 119.914 0.075 0.000 2.444 5639 V HA 0.554 4.674 4.120 0.000 0.000 0.294 5639 V C -0.135 175.975 176.094 0.025 0.000 1.022 5639 V CA -0.666 61.673 62.300 0.065 0.000 0.850 5639 V CB 1.545 33.433 31.823 0.108 0.000 0.992 5639 V HN 0.416 nan 8.190 nan 0.000 0.426 5640 I N 4.219 124.786 120.570 -0.005 0.000 2.382 5640 I HA 0.681 4.851 4.170 0.000 0.000 0.285 5640 I C 0.367 176.460 176.117 -0.040 0.000 1.007 5640 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 5640 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 5640 I HN 0.645 nan 8.210 nan 0.000 0.453 5641 A N 5.393 128.177 122.820 -0.061 0.000 2.394 5641 A HA 0.862 5.182 4.320 0.000 0.000 0.333 5641 A C 0.341 177.896 177.584 -0.049 0.000 1.397 5641 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 5641 A CB 0.225 19.185 19.000 -0.067 0.000 1.147 5641 A HN 0.752 nan 8.150 nan 0.000 0.505 5642 A N 2.011 124.810 122.820 -0.035 0.000 2.425 5642 A HA 0.502 4.822 4.320 0.000 0.000 0.242 5642 A C 0.584 178.155 177.584 -0.022 0.000 1.077 5642 A CA -0.068 51.952 52.037 -0.029 0.000 0.781 5642 A CB 0.116 19.103 19.000 -0.021 0.000 1.020 5642 A HN 0.861 nan 8.150 nan 0.000 0.494 5643 E N 0.000 120.188 120.200 -0.020 0.000 2.725 5643 E HA 0.000 4.350 4.350 0.000 0.000 0.291 5643 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 5643 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 5643 E HN 0.000 nan 8.360 nan 0.000 0.440