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 2wyr_1_I DATA FIRST_RESID 2649 DATA SEQUENCE MSMIEKLKKF TQIPGISGYE ERIREEIIRE IKDFADYKVD AIGNLIVELG DATA SEQUENCE EGEERILFMA HMDEIGLLIT GITDEGKLRF RKVGGIDDRL LYGRHVNVVT DATA SEQUENCE EKGILDGVIG ATPPHLXXXX XXSVIPWYDL VIDIGAESKE EALELVKPLD DATA SEQUENCE FAVFKKHFSV LNGKYVSTRG LDDRFGVVAL IEAIKDLVDH ELEGKVIFAF DATA SEQUENCE TVQEEVGLKG AKFLANHYYP QYAFAIDSFA CCSPLTGDVK LGKGPVIRAV DATA SEQUENCE DNSAIYSRDL ARKVWSIAEK NGIEIQIGVT GGGTDASAFQ DRSKTLALSV DATA SEQUENCE PIKYLHSEVE TLHLNDLEKL VKLIEALAFE L 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 2649 M HA 0.000 nan 4.480 nan 0.000 0.227 2649 M C 0.000 176.305 176.300 0.008 0.000 1.140 2649 M CA 0.000 55.301 55.300 0.002 0.000 0.988 2649 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2650 S N 4.042 119.747 115.700 0.009 0.000 2.645 2650 S HA 0.404 4.872 4.470 -0.003 0.000 0.266 2650 S C 1.325 175.941 174.600 0.027 0.000 1.258 2650 S CA -0.582 57.627 58.200 0.016 0.000 0.990 2650 S CB 0.996 64.207 63.200 0.018 0.000 0.967 2650 S HN 0.914 nan 8.310 nan 0.000 0.556 2651 M N 0.394 120.012 119.600 0.029 0.000 2.202 2651 M HA -0.079 4.400 4.480 -0.003 0.000 0.262 2651 M C 1.672 178.020 176.300 0.080 0.000 1.063 2651 M CA 1.779 57.105 55.300 0.044 0.000 1.097 2651 M CB -1.554 31.064 32.600 0.030 0.000 1.382 2651 M HN 0.733 nan 8.290 nan 0.000 0.413 2652 I N 0.901 121.524 120.570 0.089 0.000 2.163 2652 I HA -0.233 3.936 4.170 -0.003 0.000 0.240 2652 I C 2.571 178.741 176.117 0.088 0.000 1.081 2652 I CA 1.703 63.102 61.300 0.165 0.000 1.353 2652 I CB -0.463 37.643 38.000 0.177 0.000 1.054 2652 I HN 0.297 nan 8.210 nan 0.000 0.407 2653 E N 1.172 121.384 120.200 0.019 0.000 2.153 2653 E HA -0.194 4.154 4.350 -0.003 0.000 0.194 2653 E C 2.011 178.586 176.600 -0.042 0.000 0.988 2653 E CA 1.288 57.654 56.400 -0.056 0.000 0.811 2653 E CB 0.089 29.767 29.700 -0.036 0.000 0.746 2653 E HN 0.313 nan 8.360 nan 0.000 0.466 2654 K N -0.320 120.099 120.400 0.033 0.000 1.984 2654 K HA -0.122 4.196 4.320 -0.003 0.000 0.209 2654 K C 1.922 178.619 176.600 0.162 0.000 1.046 2654 K CA 1.028 57.382 56.287 0.111 0.000 0.934 2654 K CB -0.303 32.267 32.500 0.118 0.000 0.717 2654 K HN 0.071 nan 8.250 nan 0.000 0.438 2655 L N 2.128 123.440 121.223 0.149 0.000 2.064 2655 L HA -0.249 4.089 4.340 -0.003 0.000 0.216 2655 L C 2.273 179.226 176.870 0.139 0.000 1.077 2655 L CA 1.803 56.768 54.840 0.209 0.000 0.766 2655 L CB -0.680 41.552 42.059 0.288 0.000 0.890 2655 L HN 0.199 nan 8.230 nan 0.000 0.435 2656 K N -0.724 119.577 120.400 -0.163 0.000 2.116 2656 K HA -0.215 4.103 4.320 -0.003 0.000 0.203 2656 K C 2.177 178.639 176.600 -0.230 0.000 1.052 2656 K CA 1.069 57.034 56.287 -0.537 0.000 0.952 2656 K CB 0.118 31.877 32.500 -1.235 0.000 0.729 2656 K HN 0.066 nan 8.250 nan 0.000 0.446 2657 K N 0.590 120.899 120.400 -0.152 0.000 1.987 2657 K HA -0.166 4.153 4.320 -0.003 0.000 0.216 2657 K C 1.680 178.170 176.600 -0.183 0.000 1.051 2657 K CA 2.092 58.272 56.287 -0.179 0.000 0.942 2657 K CB -0.554 31.829 32.500 -0.195 0.000 0.722 2657 K HN 0.127 nan 8.250 nan 0.000 0.444 2658 F N 0.932 120.855 119.950 -0.046 0.000 2.234 2658 F HA -0.129 4.397 4.527 -0.002 0.000 0.299 2658 F C 2.429 178.237 175.800 0.012 0.000 1.087 2658 F CA 1.722 59.710 58.000 -0.020 0.000 1.340 2658 F CB -0.732 38.260 39.000 -0.013 0.000 1.031 2658 F HN 0.330 nan 8.300 nan 0.000 0.500 2659 T N -3.009 111.659 114.554 0.190 0.000 2.951 2659 T HA -0.144 4.205 4.350 -0.003 0.000 0.268 2659 T C 1.712 176.480 174.700 0.113 0.000 1.073 2659 T CA 0.770 62.975 62.100 0.174 0.000 1.134 2659 T CB -0.215 68.796 68.868 0.238 0.000 0.884 2659 T HN 0.154 nan 8.240 nan 0.000 0.479 2660 Q N 0.599 120.425 119.800 0.044 0.000 2.435 2660 Q HA 0.271 4.610 4.340 -0.003 0.000 0.207 2660 Q C 0.605 176.611 176.000 0.010 0.000 0.956 2660 Q CA 0.238 56.050 55.803 0.015 0.000 0.917 2660 Q CB -0.252 28.461 28.738 -0.041 0.000 0.997 2660 Q HN 0.652 nan 8.270 nan 0.000 0.497 2661 I N 3.370 123.948 120.570 0.012 0.000 2.452 2661 I HA 0.074 4.243 4.170 -0.003 0.000 0.287 2661 I C -2.134 174.028 176.117 0.075 0.000 1.079 2661 I CA -1.860 59.450 61.300 0.016 0.000 1.387 2661 I CB 0.717 38.710 38.000 -0.012 0.000 1.404 2661 I HN -0.167 nan 8.210 nan 0.000 0.522 2662 P HA 0.310 nan 4.420 nan 0.000 0.287 2662 P C -0.187 177.271 177.300 0.263 0.000 1.281 2662 P CA -0.330 62.887 63.100 0.194 0.000 0.781 2662 P CB 1.179 32.988 31.700 0.182 0.000 0.903 2663 G N 3.850 112.743 108.800 0.154 0.000 2.718 2663 G HA2 0.413 4.371 3.960 -0.003 0.000 0.302 2663 G HA3 0.413 4.371 3.960 -0.003 0.000 0.302 2663 G C -0.399 174.404 174.900 -0.162 0.000 2.393 2663 G CA -0.545 44.535 45.100 -0.034 0.000 0.854 2663 G HN 0.556 nan 8.290 nan 0.000 0.388 2664 I N -0.645 119.646 120.570 -0.465 0.000 3.021 2664 I HA 0.630 4.799 4.170 -0.003 0.000 0.303 2664 I C 0.664 176.666 176.117 -0.191 0.000 1.044 2664 I CA -0.649 60.449 61.300 -0.337 0.000 1.266 2664 I CB 0.907 38.619 38.000 -0.480 0.000 1.447 2664 I HN 0.235 nan 8.210 nan 0.000 0.593 2665 S N 2.317 117.952 115.700 -0.109 0.000 2.573 2665 S HA 0.231 4.699 4.470 -0.003 0.000 0.297 2665 S C 1.177 175.796 174.600 0.032 0.000 1.280 2665 S CA 0.636 58.812 58.200 -0.039 0.000 1.061 2665 S CB 0.278 63.452 63.200 -0.043 0.000 0.812 2665 S HN 1.325 nan 8.310 nan 0.000 0.500 2666 G N 1.980 110.793 108.800 0.023 0.000 2.212 2666 G HA2 -0.294 3.665 3.960 -0.003 0.000 0.266 2666 G HA3 -0.294 3.665 3.960 -0.003 0.000 0.266 2666 G C 0.000 174.843 174.900 -0.095 0.000 0.978 2666 G CA 0.344 45.445 45.100 0.001 0.000 0.632 2666 G HN 0.731 nan 8.290 nan 0.000 0.537 2667 Y N 0.288 120.455 120.300 -0.221 0.000 2.577 2667 Y HA 0.485 5.033 4.550 -0.003 0.000 0.307 2667 Y C 1.036 176.812 175.900 -0.208 0.000 0.940 2667 Y CA -0.534 57.405 58.100 -0.269 0.000 1.132 2667 Y CB 0.659 38.752 38.460 -0.613 0.000 1.184 2667 Y HN 0.215 nan 8.280 nan 0.000 0.611 2668 E N -0.290 119.898 120.200 -0.020 0.000 2.494 2668 E HA -0.035 4.314 4.350 -0.003 0.000 0.193 2668 E C 1.266 177.875 176.600 0.016 0.000 1.074 2668 E CA 0.207 56.610 56.400 0.004 0.000 0.867 2668 E CB 0.134 29.843 29.700 0.015 0.000 0.924 2668 E HN 0.470 nan 8.360 nan 0.000 0.502 2669 E N 0.828 121.039 120.200 0.019 0.000 2.045 2669 E HA -0.269 4.080 4.350 -0.003 0.000 0.212 2669 E C 1.765 178.375 176.600 0.017 0.000 1.039 2669 E CA 1.703 58.113 56.400 0.016 0.000 0.860 2669 E CB -0.108 29.616 29.700 0.040 0.000 0.776 2669 E HN 0.204 nan 8.360 nan 0.000 0.467 2670 R N -0.198 120.330 120.500 0.046 0.000 2.105 2670 R HA -0.138 4.200 4.340 -0.003 0.000 0.239 2670 R C 2.321 178.622 176.300 0.002 0.000 1.135 2670 R CA 1.338 57.452 56.100 0.024 0.000 0.967 2670 R CB -0.455 29.877 30.300 0.053 0.000 0.861 2670 R HN 0.160 nan 8.270 nan 0.000 0.442 2671 I N 0.410 120.998 120.570 0.031 0.000 2.202 2671 I HA -0.219 3.950 4.170 -0.003 0.000 0.242 2671 I C 2.536 178.658 176.117 0.008 0.000 1.091 2671 I CA 1.336 62.668 61.300 0.054 0.000 1.368 2671 I CB -0.455 37.603 38.000 0.096 0.000 1.058 2671 I HN 0.049 nan 8.210 nan 0.000 0.410 2672 R N 0.729 121.213 120.500 -0.027 0.000 2.091 2672 R HA -0.215 4.124 4.340 -0.003 0.000 0.238 2672 R C 2.171 178.386 176.300 -0.140 0.000 1.136 2672 R CA 1.699 57.743 56.100 -0.093 0.000 0.959 2672 R CB -0.095 30.169 30.300 -0.060 0.000 0.856 2672 R HN 0.389 nan 8.270 nan 0.000 0.437 2673 E N -0.171 119.970 120.200 -0.098 0.000 2.047 2673 E HA -0.212 4.136 4.350 -0.003 0.000 0.191 2673 E C 1.829 178.351 176.600 -0.130 0.000 0.987 2673 E CA 1.388 57.720 56.400 -0.114 0.000 0.799 2673 E CB -0.015 29.642 29.700 -0.072 0.000 0.752 2673 E HN 0.233 nan 8.360 nan 0.000 0.449 2674 E N 0.738 120.871 120.200 -0.112 0.000 2.153 2674 E HA -0.128 4.220 4.350 -0.003 0.000 0.194 2674 E C 1.693 178.261 176.600 -0.052 0.000 0.988 2674 E CA 0.877 57.193 56.400 -0.141 0.000 0.811 2674 E CB -0.078 29.454 29.700 -0.279 0.000 0.746 2674 E HN 0.293 nan 8.360 nan 0.000 0.466 2675 I N -0.165 120.382 120.570 -0.038 0.000 2.286 2675 I HA -0.211 3.957 4.170 -0.003 0.000 0.245 2675 I C 2.221 178.160 176.117 -0.296 0.000 1.104 2675 I CA 0.740 61.931 61.300 -0.183 0.000 1.397 2675 I CB -0.266 37.388 38.000 -0.578 0.000 1.072 2675 I HN 0.118 nan 8.210 nan 0.000 0.417 2676 I N 0.712 121.077 120.570 -0.342 0.000 2.127 2676 I HA -0.318 3.851 4.170 -0.003 0.000 0.241 2676 I C 2.710 178.685 176.117 -0.237 0.000 1.075 2676 I CA 1.359 62.394 61.300 -0.441 0.000 1.334 2676 I CB -0.357 37.314 38.000 -0.548 0.000 1.040 2676 I HN 0.160 nan 8.210 nan 0.000 0.405 2677 R N 1.212 121.618 120.500 -0.157 0.000 2.316 2677 R HA -0.204 4.134 4.340 -0.003 0.000 0.232 2677 R C 1.037 177.314 176.300 -0.038 0.000 1.137 2677 R CA 1.666 57.717 56.100 -0.081 0.000 1.012 2677 R CB -0.036 30.214 30.300 -0.082 0.000 0.859 2677 R HN 0.620 nan 8.270 nan 0.000 0.474 2678 E N -1.770 118.397 120.200 -0.054 0.000 2.846 2678 E HA 0.059 4.408 4.350 -0.003 0.000 0.211 2678 E C 0.539 177.084 176.600 -0.091 0.000 0.975 2678 E CA -0.267 56.113 56.400 -0.032 0.000 1.211 2678 E CB 0.520 30.195 29.700 -0.041 0.000 1.052 2678 E HN 0.166 nan 8.360 nan 0.000 0.487 2679 I N 1.196 121.729 120.570 -0.062 0.000 3.526 2679 I HA 0.072 4.240 4.170 -0.003 0.000 0.294 2679 I C 2.001 178.232 176.117 0.189 0.000 1.229 2679 I CA 0.312 61.611 61.300 -0.002 0.000 1.408 2679 I CB -0.405 37.560 38.000 -0.058 0.000 1.127 2679 I HN 0.081 nan 8.210 nan 0.000 0.439 2680 K N 1.348 121.839 120.400 0.151 0.000 2.005 2680 K HA -0.259 4.060 4.320 -0.003 0.000 0.229 2680 K C 0.838 177.575 176.600 0.229 0.000 1.050 2680 K CA 2.353 58.764 56.287 0.207 0.000 0.994 2680 K CB -0.146 32.438 32.500 0.140 0.000 0.736 2680 K HN 0.250 nan 8.250 nan 0.000 0.448 2681 D N -0.985 119.566 120.400 0.251 0.000 2.332 2681 D HA -0.017 4.621 4.640 -0.003 0.000 0.244 2681 D C 0.678 176.917 176.300 -0.102 0.000 1.136 2681 D CA 0.712 54.755 54.000 0.070 0.000 0.884 2681 D CB 0.032 40.818 40.800 -0.024 0.000 0.906 2681 D HN 0.181 nan 8.370 nan 0.000 0.520 2682 F N 0.138 120.111 119.950 0.038 0.000 2.729 2682 F HA 0.424 4.950 4.527 -0.003 0.000 0.304 2682 F C 0.853 176.680 175.800 0.044 0.000 1.008 2682 F CA -0.279 57.739 58.000 0.030 0.000 1.188 2682 F CB 0.646 39.652 39.000 0.010 0.000 0.980 2682 F HN -0.119 nan 8.300 nan 0.000 0.627 2683 A N -0.659 122.311 122.820 0.251 0.000 2.586 2683 A HA 0.490 4.809 4.320 -0.003 0.000 0.291 2683 A C -1.938 175.764 177.584 0.197 0.000 1.062 2683 A CA -0.641 51.507 52.037 0.186 0.000 0.666 2683 A CB 0.616 19.724 19.000 0.180 0.000 1.281 2683 A HN -0.105 nan 8.150 nan 0.000 0.421 2684 D N -0.041 120.445 120.400 0.144 0.000 2.255 2684 D HA 0.581 5.219 4.640 -0.003 0.000 0.249 2684 D C -0.284 176.108 176.300 0.154 0.000 1.078 2684 D CA 0.430 54.484 54.000 0.091 0.000 0.896 2684 D CB 0.532 41.333 40.800 0.002 0.000 1.194 2684 D HN 0.466 nan 8.370 nan 0.000 0.429 2685 Y N 0.163 120.516 120.300 0.088 0.000 2.772 2685 Y HA 0.708 5.256 4.550 -0.003 0.000 0.324 2685 Y C -0.525 175.431 175.900 0.094 0.000 1.169 2685 Y CA -1.232 56.928 58.100 0.100 0.000 1.198 2685 Y CB 1.129 39.636 38.460 0.078 0.000 1.402 2685 Y HN 0.271 nan 8.280 nan 0.000 0.577 2686 K N 0.653 121.232 120.400 0.299 0.000 2.580 2686 K HA 0.528 4.847 4.320 -0.003 0.000 0.258 2686 K C -2.531 174.212 176.600 0.238 0.000 0.936 2686 K CA -0.567 55.823 56.287 0.171 0.000 0.852 2686 K CB 2.173 34.748 32.500 0.127 0.000 1.329 2686 K HN 0.676 nan 8.250 nan 0.000 0.430 2687 V N 2.874 122.900 119.914 0.187 0.000 2.472 2687 V HA 0.280 4.398 4.120 -0.003 0.000 0.290 2687 V C -0.001 176.135 176.094 0.071 0.000 1.037 2687 V CA -0.726 61.654 62.300 0.134 0.000 0.908 2687 V CB 1.578 33.471 31.823 0.116 0.000 0.985 2687 V HN 0.780 nan 8.190 nan 0.000 0.454 2688 D N 2.240 122.658 120.400 0.030 0.000 2.377 2688 D HA 0.409 5.047 4.640 -0.003 0.000 0.245 2688 D C 1.079 177.306 176.300 -0.121 0.000 1.196 2688 D CA 0.341 54.316 54.000 -0.042 0.000 0.962 2688 D CB 1.563 42.272 40.800 -0.153 0.000 1.127 2688 D HN 0.583 nan 8.370 nan 0.000 0.471 2689 A N 1.060 123.791 122.820 -0.148 0.000 1.972 2689 A HA -0.136 4.183 4.320 -0.003 0.000 0.219 2689 A C 2.105 179.499 177.584 -0.316 0.000 1.169 2689 A CA 0.986 52.938 52.037 -0.142 0.000 0.635 2689 A CB -0.497 18.528 19.000 0.041 0.000 0.810 2689 A HN 0.652 nan 8.150 nan 0.000 0.446 2690 I N -2.397 117.752 120.570 -0.700 0.000 3.030 2690 I HA 0.159 4.327 4.170 -0.003 0.000 0.270 2690 I C 1.441 177.375 176.117 -0.304 0.000 1.211 2690 I CA 1.166 62.130 61.300 -0.561 0.000 1.479 2690 I CB 0.335 37.845 38.000 -0.817 0.000 1.105 2690 I HN 0.457 nan 8.210 nan 0.000 0.447 2691 G N 0.541 109.193 108.800 -0.247 0.000 2.227 2691 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.168 2691 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.168 2691 G C -0.188 174.691 174.900 -0.035 0.000 1.006 2691 G CA -0.473 44.562 45.100 -0.109 0.000 0.684 2691 G HN 0.267 nan 8.290 nan 0.000 0.489 2692 N N 0.253 118.936 118.700 -0.028 0.000 2.395 2692 N HA 0.306 5.045 4.740 -0.003 0.000 0.246 2692 N C -0.250 175.334 175.510 0.123 0.000 1.246 2692 N CA 0.220 53.316 53.050 0.077 0.000 0.879 2692 N CB 1.374 39.933 38.487 0.120 0.000 1.098 2692 N HN 0.361 nan 8.380 nan 0.000 0.444 2693 L N 3.191 124.532 121.223 0.196 0.000 2.294 2693 L HA 0.494 4.832 4.340 -0.003 0.000 0.283 2693 L C -1.094 175.979 176.870 0.337 0.000 1.015 2693 L CA -0.470 54.513 54.840 0.238 0.000 0.831 2693 L CB 0.582 42.734 42.059 0.155 0.000 1.217 2693 L HN 0.345 nan 8.230 nan 0.000 0.420 2694 I N 5.465 126.204 120.570 0.282 0.000 2.441 2694 I HA 0.539 4.708 4.170 -0.003 0.000 0.295 2694 I C -0.583 175.705 176.117 0.286 0.000 0.994 2694 I CA -0.517 60.926 61.300 0.240 0.000 1.144 2694 I CB 2.020 40.125 38.000 0.175 0.000 1.314 2694 I HN 0.211 nan 8.210 nan 0.000 0.445 2695 V N 5.471 125.556 119.914 0.286 0.000 2.443 2695 V HA 0.369 4.488 4.120 -0.003 0.000 0.293 2695 V C -0.310 175.952 176.094 0.280 0.000 1.021 2695 V CA -0.725 61.755 62.300 0.300 0.000 0.848 2695 V CB 1.556 33.579 31.823 0.332 0.000 0.998 2695 V HN 0.671 nan 8.190 nan 0.000 0.424 2696 E N 5.074 125.407 120.200 0.222 0.000 2.216 2696 E HA 0.682 5.030 4.350 -0.003 0.000 0.279 2696 E C -1.206 175.509 176.600 0.193 0.000 0.997 2696 E CA -0.572 55.942 56.400 0.190 0.000 0.817 2696 E CB 2.303 32.104 29.700 0.167 0.000 1.096 2696 E HN 0.459 nan 8.360 nan 0.000 0.393 2697 L N 1.691 123.027 121.223 0.187 0.000 2.408 2697 L HA 0.602 4.941 4.340 -0.003 0.000 0.268 2697 L C 0.425 177.365 176.870 0.117 0.000 0.986 2697 L CA -0.567 54.374 54.840 0.170 0.000 0.820 2697 L CB 1.886 44.086 42.059 0.235 0.000 1.303 2697 L HN 0.878 nan 8.230 nan 0.000 0.411 2698 G N 2.536 111.396 108.800 0.101 0.000 2.615 2698 G HA2 -0.105 3.854 3.960 -0.003 0.000 0.218 2698 G HA3 -0.105 3.854 3.960 -0.003 0.000 0.218 2698 G C -1.016 173.928 174.900 0.073 0.000 1.339 2698 G CA -0.302 44.846 45.100 0.080 0.000 0.884 2698 G HN 0.686 nan 8.290 nan 0.000 0.559 2699 E N -1.546 118.691 120.200 0.062 0.000 2.430 2699 E HA 0.658 5.006 4.350 -0.003 0.000 0.279 2699 E C 0.619 177.248 176.600 0.048 0.000 1.003 2699 E CA 1.417 57.851 56.400 0.057 0.000 0.801 2699 E CB 1.279 31.010 29.700 0.051 0.000 1.313 2699 E HN 2.485 nan 8.360 nan 0.000 0.459 2700 G N 1.591 110.418 108.800 0.046 0.000 2.545 2700 G HA2 -0.203 3.756 3.960 -0.003 0.000 0.240 2700 G HA3 -0.203 3.756 3.960 -0.003 0.000 0.240 2700 G C -0.842 174.081 174.900 0.038 0.000 1.172 2700 G CA -0.011 45.111 45.100 0.038 0.000 0.949 2700 G HN 0.745 nan 8.290 nan 0.000 0.574 2701 E N 1.710 121.926 120.200 0.026 0.000 2.338 2701 E HA 0.417 4.765 4.350 -0.003 0.000 0.272 2701 E C -0.422 176.182 176.600 0.007 0.000 1.029 2701 E CA -0.209 56.199 56.400 0.015 0.000 0.872 2701 E CB 1.059 30.757 29.700 -0.004 0.000 1.015 2701 E HN 0.580 nan 8.360 nan 0.000 0.417 2702 E N 2.498 122.706 120.200 0.012 0.000 2.220 2702 E HA 0.010 4.358 4.350 -0.003 0.000 0.272 2702 E C 0.509 177.065 176.600 -0.073 0.000 1.099 2702 E CA 0.039 56.441 56.400 0.004 0.000 0.907 2702 E CB 0.957 30.702 29.700 0.075 0.000 1.022 2702 E HN 0.503 nan 8.360 nan 0.000 0.428 2703 R N 3.607 124.063 120.500 -0.074 0.000 2.191 2703 R HA 0.233 4.571 4.340 -0.003 0.000 0.196 2703 R C 0.096 176.358 176.300 -0.063 0.000 0.991 2703 R CA 0.387 56.437 56.100 -0.085 0.000 1.075 2703 R CB 0.698 30.991 30.300 -0.011 0.000 1.040 2703 R HN 0.469 nan 8.270 nan 0.000 0.526 2704 I N 1.489 121.986 120.570 -0.123 0.000 2.644 2704 I HA 0.293 4.461 4.170 -0.003 0.000 0.291 2704 I C -1.328 174.525 176.117 -0.440 0.000 1.180 2704 I CA -0.757 60.402 61.300 -0.234 0.000 1.040 2704 I CB 2.703 40.520 38.000 -0.304 0.000 1.255 2704 I HN -0.000 nan 8.210 nan 0.000 0.422 2705 L N 5.779 126.693 121.223 -0.515 0.000 2.329 2705 L HA 0.612 4.951 4.340 -0.003 0.000 0.279 2705 L C -1.606 174.843 176.870 -0.701 0.000 1.014 2705 L CA -0.535 53.964 54.840 -0.569 0.000 0.814 2705 L CB 1.754 43.482 42.059 -0.553 0.000 1.257 2705 L HN 0.482 nan 8.230 nan 0.000 0.424 2706 F N 4.652 124.367 119.950 -0.392 0.000 2.477 2706 F HA 0.491 5.017 4.527 -0.002 0.000 0.335 2706 F C 0.044 175.682 175.800 -0.269 0.000 1.130 2706 F CA -0.521 57.297 58.000 -0.304 0.000 0.948 2706 F CB 1.961 40.727 39.000 -0.390 0.000 1.154 2706 F HN 0.286 nan 8.300 nan 0.000 0.439 2707 M N 3.667 123.261 119.600 -0.010 0.000 2.243 2707 M HA 0.709 5.188 4.480 -0.003 0.000 0.324 2707 M C -0.893 175.372 176.300 -0.059 0.000 1.031 2707 M CA -0.506 54.756 55.300 -0.063 0.000 0.949 2707 M CB 2.034 34.614 32.600 -0.035 0.000 1.615 2707 M HN 0.642 nan 8.290 nan 0.000 0.430 2708 A N 2.096 124.835 122.820 -0.135 0.000 2.398 2708 A HA 0.693 5.012 4.320 -0.003 0.000 0.301 2708 A C -1.282 176.270 177.584 -0.053 0.000 1.041 2708 A CA -0.762 51.179 52.037 -0.159 0.000 0.711 2708 A CB 0.572 19.398 19.000 -0.291 0.000 1.240 2708 A HN 0.954 nan 8.150 nan 0.000 0.420 2709 H N 0.514 119.565 119.070 -0.032 0.000 2.487 2709 H HA 0.648 5.202 4.556 -0.003 0.000 0.333 2709 H C 0.437 175.793 175.328 0.048 0.000 1.114 2709 H CA -0.770 55.295 56.048 0.028 0.000 1.310 2709 H CB 0.762 30.549 29.762 0.040 0.000 1.462 2709 H HN 0.497 nan 8.280 nan 0.000 0.516 2710 M N 0.824 120.555 119.600 0.218 0.000 2.501 2710 M HA 0.019 4.497 4.480 -0.003 0.000 0.261 2710 M C -0.147 176.258 176.300 0.175 0.000 1.129 2710 M CA 0.007 55.398 55.300 0.152 0.000 1.126 2710 M CB 0.192 32.873 32.600 0.135 0.000 1.359 2710 M HN 0.740 nan 8.290 nan 0.000 0.471 2711 D N 2.411 122.967 120.400 0.260 0.000 2.341 2711 D HA 0.126 4.764 4.640 -0.003 0.000 0.245 2711 D C -0.369 176.060 176.300 0.214 0.000 1.106 2711 D CA -0.101 53.993 54.000 0.158 0.000 0.905 2711 D CB 0.841 41.675 40.800 0.057 0.000 1.202 2711 D HN 0.393 nan 8.370 nan 0.000 0.426 2712 E N 0.839 121.091 120.200 0.086 0.000 2.281 2712 E HA 0.480 4.829 4.350 -0.003 0.000 0.262 2712 E C 0.503 177.080 176.600 -0.038 0.000 0.933 2712 E CA -1.176 55.266 56.400 0.069 0.000 0.809 2712 E CB 1.713 31.449 29.700 0.061 0.000 1.242 2712 E HN 0.590 nan 8.360 nan 0.000 0.418 2713 I N -1.324 119.188 120.570 -0.095 0.000 2.938 2713 I HA 0.642 4.811 4.170 -0.003 0.000 0.285 2713 I C 0.285 176.299 176.117 -0.171 0.000 1.182 2713 I CA 0.032 61.235 61.300 -0.162 0.000 1.388 2713 I CB 0.502 38.342 38.000 -0.266 0.000 1.390 2713 I HN 0.774 nan 8.210 nan 0.000 0.600 2714 G N 4.288 112.969 108.800 -0.198 0.000 2.427 2714 G HA2 0.478 4.437 3.960 -0.003 0.000 0.306 2714 G HA3 0.478 4.437 3.960 -0.003 0.000 0.306 2714 G C -1.877 172.885 174.900 -0.230 0.000 1.280 2714 G CA -0.873 44.072 45.100 -0.258 0.000 0.837 2714 G HN 0.497 nan 8.290 nan 0.000 0.482 2715 L N 0.112 121.192 121.223 -0.238 0.000 2.325 2715 L HA 0.753 5.092 4.340 -0.003 0.000 0.278 2715 L C -0.358 176.468 176.870 -0.074 0.000 1.023 2715 L CA -0.925 53.805 54.840 -0.183 0.000 0.811 2715 L CB 1.415 43.224 42.059 -0.417 0.000 1.249 2715 L HN 0.573 nan 8.230 nan 0.000 0.431 2716 L N 4.342 125.569 121.223 0.006 0.000 2.287 2716 L HA 0.541 4.879 4.340 -0.003 0.000 0.287 2716 L C -0.523 176.416 176.870 0.116 0.000 1.022 2716 L CA -0.214 54.638 54.840 0.020 0.000 0.814 2716 L CB 0.867 42.926 42.059 0.000 0.000 1.217 2716 L HN 0.269 nan 8.230 nan 0.000 0.420 2717 I N 4.961 125.586 120.570 0.092 0.000 2.505 2717 I HA 0.085 4.254 4.170 -0.003 0.000 0.287 2717 I C 1.397 177.588 176.117 0.123 0.000 1.104 2717 I CA 0.385 61.761 61.300 0.125 0.000 1.387 2717 I CB 0.336 38.381 38.000 0.074 0.000 1.404 2717 I HN 0.836 nan 8.210 nan 0.000 0.528 2718 T N 1.707 116.348 114.554 0.144 0.000 3.014 2718 T HA 0.451 4.800 4.350 -0.003 0.000 0.250 2718 T C 0.717 175.473 174.700 0.093 0.000 1.060 2718 T CA 0.209 62.380 62.100 0.118 0.000 1.040 2718 T CB 0.655 69.603 68.868 0.133 0.000 0.971 2718 T HN 0.807 nan 8.240 nan 0.000 0.497 2719 G N 0.453 109.308 108.800 0.091 0.000 2.355 2719 G HA2 0.498 4.456 3.960 -0.003 0.000 0.296 2719 G HA3 0.498 4.456 3.960 -0.003 0.000 0.296 2719 G C -2.250 172.689 174.900 0.066 0.000 1.507 2719 G CA -1.003 44.138 45.100 0.069 0.000 0.823 2719 G HN 0.184 nan 8.290 nan 0.000 0.569 2720 I N 1.000 121.600 120.570 0.050 0.000 2.493 2720 I HA 0.619 4.787 4.170 -0.003 0.000 0.298 2720 I C 1.123 177.261 176.117 0.035 0.000 0.998 2720 I CA -0.501 60.826 61.300 0.044 0.000 1.137 2720 I CB 2.216 40.237 38.000 0.035 0.000 1.310 2720 I HN 0.782 nan 8.210 nan 0.000 0.445 2721 T N -0.345 114.228 114.554 0.033 0.000 2.862 2721 T HA 0.258 4.607 4.350 -0.003 0.000 0.276 2721 T C 0.700 175.411 174.700 0.019 0.000 0.974 2721 T CA -0.542 61.572 62.100 0.024 0.000 0.966 2721 T CB 0.768 69.650 68.868 0.024 0.000 1.072 2721 T HN 0.510 nan 8.240 nan 0.000 0.538 2722 D N 0.418 120.826 120.400 0.014 0.000 2.178 2722 D HA -0.067 4.571 4.640 -0.003 0.000 0.201 2722 D C 1.605 177.912 176.300 0.011 0.000 0.980 2722 D CA 1.253 55.260 54.000 0.011 0.000 0.842 2722 D CB -0.033 40.772 40.800 0.008 0.000 0.948 2722 D HN 0.686 nan 8.370 nan 0.000 0.472 2723 E N -0.651 119.557 120.200 0.013 0.000 2.489 2723 E HA 0.241 4.590 4.350 -0.003 0.000 0.193 2723 E C 1.318 177.925 176.600 0.013 0.000 1.057 2723 E CA 0.473 56.880 56.400 0.011 0.000 0.866 2723 E CB 0.307 30.014 29.700 0.011 0.000 0.916 2723 E HN 0.267 nan 8.360 nan 0.000 0.500 2724 G N 0.525 109.334 108.800 0.016 0.000 2.144 2724 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 2724 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 2724 G C 0.104 175.017 174.900 0.022 0.000 0.988 2724 G CA -0.143 44.967 45.100 0.016 0.000 0.659 2724 G HN 0.059 nan 8.290 nan 0.000 0.522 2725 K N 0.037 120.455 120.400 0.029 0.000 2.090 2725 K HA 0.700 5.019 4.320 -0.003 0.000 0.249 2725 K C 0.391 177.027 176.600 0.061 0.000 0.995 2725 K CA -0.584 55.729 56.287 0.043 0.000 0.914 2725 K CB 1.405 33.933 32.500 0.047 0.000 1.057 2725 K HN 0.238 nan 8.250 nan 0.000 0.462 2726 L N 2.447 123.725 121.223 0.091 0.000 2.287 2726 L HA 0.443 4.781 4.340 -0.003 0.000 0.287 2726 L C 0.572 177.564 176.870 0.202 0.000 1.022 2726 L CA -0.759 54.155 54.840 0.124 0.000 0.814 2726 L CB 1.061 43.188 42.059 0.114 0.000 1.217 2726 L HN 0.319 nan 8.230 nan 0.000 0.420 2727 R N 2.870 123.463 120.500 0.155 0.000 2.577 2727 R HA 0.710 5.048 4.340 -0.003 0.000 0.269 2727 R C -0.891 175.557 176.300 0.246 0.000 1.084 2727 R CA -0.300 55.874 56.100 0.123 0.000 1.163 2727 R CB 1.209 31.538 30.300 0.048 0.000 1.100 2727 R HN 0.542 nan 8.270 nan 0.000 0.547 2728 F N -2.212 117.846 119.950 0.179 0.000 2.741 2728 F HA 0.530 5.056 4.527 -0.003 0.000 0.311 2728 F C -1.206 174.760 175.800 0.277 0.000 1.149 2728 F CA -1.315 56.787 58.000 0.171 0.000 0.930 2728 F CB 1.290 40.355 39.000 0.109 0.000 1.312 2728 F HN 0.224 nan 8.300 nan 0.000 0.450 2729 R N 1.806 122.543 120.500 0.395 0.000 2.778 2729 R HA 0.522 4.861 4.340 -0.003 0.000 0.277 2729 R C -1.198 175.129 176.300 0.044 0.000 0.977 2729 R CA -1.013 55.143 56.100 0.094 0.000 0.950 2729 R CB 2.209 32.530 30.300 0.035 0.000 1.165 2729 R HN 0.890 nan 8.270 nan 0.000 0.474 2730 K N 1.521 121.755 120.400 -0.276 0.000 2.174 2730 K HA 0.330 4.648 4.320 -0.003 0.000 0.275 2730 K C -0.817 175.679 176.600 -0.174 0.000 1.015 2730 K CA -0.544 55.629 56.287 -0.190 0.000 0.933 2730 K CB 1.774 34.098 32.500 -0.293 0.000 1.025 2730 K HN 0.198 nan 8.250 nan 0.000 0.463 2731 V N 2.126 121.962 119.914 -0.130 0.000 2.378 2731 V HA 0.521 4.640 4.120 -0.003 0.000 0.288 2731 V C 0.232 176.263 176.094 -0.104 0.000 1.016 2731 V CA -0.461 61.772 62.300 -0.112 0.000 0.840 2731 V CB 0.752 32.505 31.823 -0.116 0.000 0.994 2731 V HN 1.065 nan 8.190 nan 0.000 0.431 2732 G N 3.654 112.409 108.800 -0.075 0.000 2.758 2732 G HA2 0.154 4.113 3.960 -0.003 0.000 0.686 2732 G HA3 0.154 4.113 3.960 -0.003 0.000 0.686 2732 G C 0.170 175.061 174.900 -0.016 0.000 1.389 2732 G CA -0.522 44.552 45.100 -0.044 0.000 0.845 2732 G HN 1.452 nan 8.290 nan 0.000 0.572 2733 G N -0.280 108.572 108.800 0.086 0.000 2.367 2733 G HA2 0.560 4.518 3.960 -0.003 0.000 0.280 2733 G HA3 0.560 4.518 3.960 -0.003 0.000 0.280 2733 G C 0.262 175.272 174.900 0.182 0.000 1.175 2733 G CA -0.052 45.135 45.100 0.145 0.000 1.001 2733 G HN 0.970 nan 8.290 nan 0.000 0.437 2734 I N 2.066 122.701 120.570 0.108 0.000 2.498 2734 I HA 0.196 4.365 4.170 -0.003 0.000 0.290 2734 I C -0.588 175.620 176.117 0.151 0.000 1.032 2734 I CA -1.085 60.303 61.300 0.145 0.000 1.073 2734 I CB 2.287 40.362 38.000 0.126 0.000 1.251 2734 I HN 0.308 nan 8.210 nan 0.000 0.426 2735 D N 4.924 125.423 120.400 0.165 0.000 2.417 2735 D HA -0.028 4.611 4.640 -0.003 0.000 0.250 2735 D C 0.636 177.031 176.300 0.158 0.000 1.166 2735 D CA 0.277 54.361 54.000 0.141 0.000 0.881 2735 D CB 1.262 42.133 40.800 0.118 0.000 1.164 2735 D HN 0.456 nan 8.370 nan 0.000 0.467 2736 D N 3.433 123.929 120.400 0.160 0.000 2.221 2736 D HA -0.143 4.495 4.640 -0.003 0.000 0.204 2736 D C 1.837 178.228 176.300 0.152 0.000 0.982 2736 D CA 0.842 54.954 54.000 0.187 0.000 0.857 2736 D CB 0.117 41.017 40.800 0.166 0.000 0.934 2736 D HN 0.487 nan 8.370 nan 0.000 0.475 2737 R N -0.114 120.448 120.500 0.104 0.000 2.159 2737 R HA -0.022 4.316 4.340 -0.003 0.000 0.237 2737 R C 1.869 178.230 176.300 0.102 0.000 1.131 2737 R CA 0.555 56.702 56.100 0.078 0.000 0.982 2737 R CB -0.159 30.169 30.300 0.046 0.000 0.868 2737 R HN 0.260 nan 8.270 nan 0.000 0.453 2738 L N 0.548 121.834 121.223 0.104 0.000 2.591 2738 L HA 0.036 4.374 4.340 -0.003 0.000 0.228 2738 L C 1.460 178.369 176.870 0.065 0.000 1.133 2738 L CA 0.205 55.069 54.840 0.041 0.000 0.880 2738 L CB 0.042 42.109 42.059 0.013 0.000 1.033 2738 L HN 0.176 nan 8.230 nan 0.000 0.450 2739 L N -1.936 119.414 121.223 0.211 0.000 2.463 2739 L HA 0.055 4.393 4.340 -0.003 0.000 0.219 2739 L C 0.664 177.690 176.870 0.261 0.000 1.088 2739 L CA -0.149 54.871 54.840 0.300 0.000 0.849 2739 L CB -0.054 42.234 42.059 0.382 0.000 1.012 2739 L HN 0.071 nan 8.230 nan 0.000 0.468 2740 Y N 1.955 122.312 120.300 0.095 0.000 2.465 2740 Y HA 0.368 4.916 4.550 -0.003 0.000 0.331 2740 Y C 1.122 177.045 175.900 0.038 0.000 1.102 2740 Y CA 0.068 58.209 58.100 0.067 0.000 1.358 2740 Y CB 0.489 38.977 38.460 0.046 0.000 1.213 2740 Y HN 0.191 nan 8.280 nan 0.000 0.525 2741 G N 5.845 114.408 108.800 -0.396 0.000 2.351 2741 G HA2 -0.208 3.750 3.960 -0.003 0.000 0.297 2741 G HA3 -0.208 3.750 3.960 -0.003 0.000 0.297 2741 G C -0.335 174.490 174.900 -0.126 0.000 1.054 2741 G CA -0.159 44.744 45.100 -0.328 0.000 1.123 2741 G HN 0.583 nan 8.290 nan 0.000 0.512 2742 R N -0.294 120.156 120.500 -0.083 0.000 2.744 2742 R HA 0.429 4.767 4.340 -0.003 0.000 0.279 2742 R C -0.267 176.013 176.300 -0.032 0.000 0.977 2742 R CA -0.900 55.201 56.100 0.002 0.000 0.906 2742 R CB 1.275 31.611 30.300 0.059 0.000 1.197 2742 R HN 0.477 nan 8.270 nan 0.000 0.463 2743 H N 1.058 120.140 119.070 0.020 0.000 2.582 2743 H HA 0.340 4.894 4.556 -0.003 0.000 0.345 2743 H C 0.235 175.596 175.328 0.054 0.000 1.104 2743 H CA -0.257 55.800 56.048 0.014 0.000 1.390 2743 H CB 1.739 31.493 29.762 -0.014 0.000 1.461 2743 H HN 0.343 nan 8.280 nan 0.000 0.551 2744 V N 0.686 120.663 119.914 0.105 0.000 3.040 2744 V HA 0.399 4.518 4.120 -0.003 0.000 0.312 2744 V C -0.402 175.684 176.094 -0.014 0.000 1.115 2744 V CA -1.275 61.048 62.300 0.039 0.000 0.998 2744 V CB 2.162 33.947 31.823 -0.063 0.000 1.042 2744 V HN 0.701 nan 8.190 nan 0.000 0.433 2745 N N 1.092 119.757 118.700 -0.057 0.000 2.426 2745 N HA 0.561 5.300 4.740 -0.003 0.000 0.257 2745 N C -0.767 174.629 175.510 -0.190 0.000 1.002 2745 N CA -0.515 52.474 53.050 -0.102 0.000 0.942 2745 N CB 1.795 40.226 38.487 -0.093 0.000 1.112 2745 N HN 0.664 nan 8.380 nan 0.000 0.499 2746 V N 3.356 123.160 119.914 -0.183 0.000 2.389 2746 V HA 0.122 4.240 4.120 -0.003 0.000 0.264 2746 V C 0.148 176.054 176.094 -0.312 0.000 1.049 2746 V CA -0.566 61.590 62.300 -0.241 0.000 0.932 2746 V CB 0.727 32.459 31.823 -0.152 0.000 1.011 2746 V HN 0.356 nan 8.190 nan 0.000 0.475 2747 V N 5.989 125.565 119.914 -0.563 0.000 2.348 2747 V HA 0.365 4.483 4.120 -0.003 0.000 0.270 2747 V C 0.833 176.670 176.094 -0.428 0.000 1.037 2747 V CA -0.053 61.879 62.300 -0.613 0.000 0.872 2747 V CB 1.080 32.181 31.823 -1.203 0.000 1.002 2747 V HN 1.049 nan 8.190 nan 0.000 0.464 2748 T N 1.311 115.744 114.554 -0.201 0.000 2.906 2748 T HA 0.423 4.772 4.350 -0.003 0.000 0.283 2748 T C 0.802 175.491 174.700 -0.018 0.000 1.098 2748 T CA -0.376 61.675 62.100 -0.082 0.000 0.960 2748 T CB 1.335 70.170 68.868 -0.055 0.000 1.776 2748 T HN 0.493 nan 8.240 nan 0.000 0.594 2749 E N 0.134 120.341 120.200 0.011 0.000 2.127 2749 E HA 0.093 4.441 4.350 -0.003 0.000 0.191 2749 E C 1.584 178.187 176.600 0.005 0.000 0.964 2749 E CA 0.311 56.725 56.400 0.024 0.000 0.832 2749 E CB 0.080 29.801 29.700 0.034 0.000 0.790 2749 E HN 0.475 nan 8.360 nan 0.000 0.465 2750 K N 0.814 121.212 120.400 -0.004 0.000 2.630 2750 K HA 0.109 4.428 4.320 -0.003 0.000 0.204 2750 K C 0.243 176.831 176.600 -0.021 0.000 1.024 2750 K CA 0.299 56.580 56.287 -0.010 0.000 1.157 2750 K CB 0.508 33.003 32.500 -0.009 0.000 0.899 2750 K HN 0.230 nan 8.250 nan 0.000 0.501 2751 G N 0.358 109.141 108.800 -0.029 0.000 2.352 2751 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.324 2751 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.324 2751 G C -1.245 173.612 174.900 -0.071 0.000 1.249 2751 G CA -1.061 44.013 45.100 -0.042 0.000 1.053 2751 G HN 0.073 nan 8.290 nan 0.000 0.492 2752 I N 0.037 120.564 120.570 -0.072 0.000 2.509 2752 I HA 0.644 4.813 4.170 -0.003 0.000 0.293 2752 I C -0.631 175.439 176.117 -0.077 0.000 1.020 2752 I CA -0.857 60.385 61.300 -0.097 0.000 1.088 2752 I CB 1.747 39.689 38.000 -0.097 0.000 1.267 2752 I HN 0.459 nan 8.210 nan 0.000 0.430 2753 L N 4.571 125.741 121.223 -0.089 0.000 2.341 2753 L HA 0.499 4.838 4.340 -0.003 0.000 0.267 2753 L C -0.694 176.142 176.870 -0.057 0.000 1.009 2753 L CA -0.439 54.363 54.840 -0.064 0.000 0.819 2753 L CB 1.798 43.818 42.059 -0.064 0.000 1.323 2753 L HN 0.394 nan 8.230 nan 0.000 0.425 2754 D N 1.457 121.838 120.400 -0.031 0.000 2.350 2754 D HA 0.564 5.202 4.640 -0.003 0.000 0.249 2754 D C 0.037 176.326 176.300 -0.018 0.000 1.119 2754 D CA 0.258 54.252 54.000 -0.009 0.000 0.886 2754 D CB 1.601 42.412 40.800 0.019 0.000 1.195 2754 D HN 0.682 nan 8.370 nan 0.000 0.437 2755 G N -0.392 108.397 108.800 -0.018 0.000 2.680 2755 G HA2 0.612 4.571 3.960 -0.003 0.000 0.290 2755 G HA3 0.612 4.571 3.960 -0.003 0.000 0.290 2755 G C -1.447 173.421 174.900 -0.054 0.000 1.355 2755 G CA -0.528 44.550 45.100 -0.038 0.000 0.903 2755 G HN 0.374 nan 8.290 nan 0.000 0.474 2756 V N 0.726 120.592 119.914 -0.079 0.000 2.752 2756 V HA 0.360 4.479 4.120 -0.003 0.000 0.302 2756 V C -0.892 175.150 176.094 -0.087 0.000 1.133 2756 V CA -0.530 61.684 62.300 -0.144 0.000 0.919 2756 V CB 1.763 33.453 31.823 -0.221 0.000 1.026 2756 V HN 0.661 nan 8.190 nan 0.000 0.429 2757 I N 5.617 126.143 120.570 -0.074 0.000 2.291 2757 I HA 0.447 4.616 4.170 -0.003 0.000 0.290 2757 I C 1.240 177.295 176.117 -0.104 0.000 1.050 2757 I CA 0.109 61.401 61.300 -0.014 0.000 1.245 2757 I CB 1.315 39.355 38.000 0.066 0.000 1.405 2757 I HN 0.707 nan 8.210 nan 0.000 0.478 2758 G N 4.703 113.444 108.800 -0.099 0.000 2.583 2758 G HA2 0.600 4.559 3.960 -0.003 0.000 0.275 2758 G HA3 0.600 4.559 3.960 -0.003 0.000 0.275 2758 G C -0.595 174.101 174.900 -0.340 0.000 1.342 2758 G CA -0.139 44.860 45.100 -0.168 0.000 1.030 2758 G HN 0.758 nan 8.290 nan 0.000 0.520 2759 A N -1.465 121.164 122.820 -0.317 0.000 2.517 2759 A HA 0.667 4.985 4.320 -0.003 0.000 0.297 2759 A C -0.219 177.327 177.584 -0.064 0.000 1.050 2759 A CA -0.533 51.232 52.037 -0.452 0.000 0.694 2759 A CB 1.238 19.867 19.000 -0.619 0.000 1.277 2759 A HN 0.746 nan 8.150 nan 0.000 0.400 2760 T N 4.647 119.283 114.554 0.137 0.000 2.794 2760 T HA 0.539 4.887 4.350 -0.003 0.000 0.296 2760 T C -2.025 172.749 174.700 0.125 0.000 0.949 2760 T CA -0.458 61.714 62.100 0.120 0.000 1.101 2760 T CB 0.457 69.410 68.868 0.141 0.000 0.905 2760 T HN 0.594 nan 8.240 nan 0.000 0.516 2761 P HA 0.278 nan 4.420 nan 0.000 0.274 2761 P C -2.207 175.216 177.300 0.205 0.000 1.237 2761 P CA -1.705 61.500 63.100 0.174 0.000 0.793 2761 P CB 0.540 32.319 31.700 0.133 0.000 0.977 2762 P HA -0.175 nan 4.420 nan 0.000 0.215 2762 P C 1.034 178.373 177.300 0.064 0.000 1.153 2762 P CA 1.639 64.781 63.100 0.070 0.000 0.853 2762 P CB -0.424 31.245 31.700 -0.053 0.000 0.788 2763 H N -1.654 117.426 119.070 0.016 0.000 2.523 2763 H HA -0.070 4.484 4.556 -0.003 0.000 0.296 2763 H C 1.020 176.355 175.328 0.012 0.000 1.106 2763 H CA 0.642 56.697 56.048 0.012 0.000 1.230 2763 H CB -1.132 28.636 29.762 0.010 0.000 1.359 2763 H HN 0.180 nan 8.280 nan 0.000 0.552 2772 V N 2.958 122.806 119.914 -0.111 0.000 2.485 2772 V HA 0.207 4.325 4.120 -0.003 0.000 0.287 2772 V C 0.253 176.260 176.094 -0.145 0.000 1.022 2772 V CA -0.304 61.919 62.300 -0.129 0.000 1.067 2772 V CB -0.048 31.738 31.823 -0.061 0.000 0.967 2772 V HN 0.715 nan 8.190 nan 0.000 0.479 2773 I N 7.696 128.147 120.570 -0.199 0.000 2.416 2773 I HA 0.285 4.453 4.170 -0.003 0.000 0.288 2773 I C -2.007 174.011 176.117 -0.167 0.000 1.051 2773 I CA -2.234 58.961 61.300 -0.175 0.000 1.375 2773 I CB 0.775 38.685 38.000 -0.149 0.000 1.407 2773 I HN 0.405 nan 8.210 nan 0.000 0.516 2774 P HA 0.008 nan 4.420 nan 0.000 0.272 2774 P C 1.071 178.030 177.300 -0.569 0.000 1.223 2774 P CA -0.319 62.443 63.100 -0.563 0.000 0.784 2774 P CB 0.351 31.296 31.700 -1.259 0.000 0.923 2775 W N 2.748 123.832 121.300 -0.360 0.000 2.342 2775 W HA -0.237 4.421 4.660 -0.003 0.000 0.297 2775 W C 1.319 177.613 176.519 -0.375 0.000 1.213 2775 W CA 1.263 58.492 57.345 -0.193 0.000 1.251 2775 W CB -2.031 27.428 29.460 -0.000 0.000 1.136 2775 W HN 0.456 nan 8.180 nan 0.000 0.526 2776 Y N 0.667 120.168 120.300 -1.331 0.000 2.616 2776 Y HA 0.067 4.616 4.550 -0.003 0.000 0.296 2776 Y C 1.100 176.658 175.900 -0.569 0.000 1.154 2776 Y CA 1.131 58.503 58.100 -1.213 0.000 1.325 2776 Y CB -1.118 36.412 38.460 -1.550 0.000 1.007 2776 Y HN -0.170 nan 8.280 nan 0.000 0.542 2777 D N 0.711 120.826 120.400 -0.476 0.000 2.349 2777 D HA 0.197 4.835 4.640 -0.003 0.000 0.214 2777 D C 0.105 176.332 176.300 -0.122 0.000 1.063 2777 D CA 0.222 54.102 54.000 -0.201 0.000 0.847 2777 D CB 0.265 40.961 40.800 -0.174 0.000 0.933 2777 D HN 0.330 nan 8.370 nan 0.000 0.513 2778 L N 0.655 121.791 121.223 -0.145 0.000 2.360 2778 L HA 0.542 4.880 4.340 -0.003 0.000 0.271 2778 L C 0.132 177.029 176.870 0.045 0.000 1.057 2778 L CA -0.929 53.940 54.840 0.048 0.000 0.803 2778 L CB 1.806 44.031 42.059 0.277 0.000 1.207 2778 L HN -0.203 nan 8.230 nan 0.000 0.445 2779 V N -0.320 119.730 119.914 0.226 0.000 3.114 2779 V HA 0.582 4.700 4.120 -0.003 0.000 0.308 2779 V C -0.716 175.549 176.094 0.286 0.000 1.168 2779 V CA -0.814 61.650 62.300 0.273 0.000 1.015 2779 V CB 2.230 34.127 31.823 0.123 0.000 1.050 2779 V HN 0.550 nan 8.190 nan 0.000 0.433 2780 I N 2.159 122.877 120.570 0.247 0.000 2.336 2780 I HA 0.456 4.625 4.170 -0.003 0.000 0.292 2780 I C -0.745 175.407 176.117 0.057 0.000 0.991 2780 I CA -0.112 61.254 61.300 0.110 0.000 1.227 2780 I CB 1.514 39.545 38.000 0.051 0.000 1.366 2780 I HN 0.717 nan 8.210 nan 0.000 0.466 2781 D N 7.215 127.625 120.400 0.017 0.000 2.274 2781 D HA 0.308 4.947 4.640 -0.003 0.000 0.239 2781 D C 0.332 176.624 176.300 -0.014 0.000 1.104 2781 D CA -0.295 53.706 54.000 0.001 0.000 0.840 2781 D CB 1.206 41.996 40.800 -0.017 0.000 1.100 2781 D HN 0.537 nan 8.370 nan 0.000 0.477 2782 I N 0.539 121.105 120.570 -0.007 0.000 3.936 2782 I HA 0.467 4.635 4.170 -0.003 0.000 0.330 2782 I C 1.052 177.162 176.117 -0.011 0.000 1.509 2782 I CA -0.463 60.829 61.300 -0.014 0.000 1.126 2782 I CB 0.472 38.463 38.000 -0.015 0.000 1.115 2782 I HN 0.477 nan 8.210 nan 0.000 0.424 2783 G N 1.546 110.341 108.800 -0.009 0.000 2.176 2783 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.253 2783 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.253 2783 G C 0.403 175.300 174.900 -0.004 0.000 0.979 2783 G CA -0.037 45.058 45.100 -0.008 0.000 0.641 2783 G HN 0.941 nan 8.290 nan 0.000 0.530 2784 A N 0.165 122.984 122.820 -0.002 0.000 2.401 2784 A HA 0.649 4.967 4.320 -0.003 0.000 0.259 2784 A C 1.217 178.802 177.584 0.002 0.000 1.103 2784 A CA 0.403 52.441 52.037 0.001 0.000 0.789 2784 A CB 0.380 19.382 19.000 0.003 0.000 1.035 2784 A HN 0.269 nan 8.150 nan 0.000 0.491 2785 E N 0.873 121.074 120.200 0.002 0.000 2.478 2785 E HA 0.050 4.399 4.350 -0.003 0.000 0.194 2785 E C 0.334 176.937 176.600 0.004 0.000 1.045 2785 E CA 0.999 57.401 56.400 0.002 0.000 0.868 2785 E CB -0.108 29.593 29.700 0.001 0.000 0.885 2785 E HN 0.740 nan 8.360 nan 0.000 0.505 2786 S N -1.046 114.658 115.700 0.006 0.000 2.611 2786 S HA 0.292 4.761 4.470 -0.003 0.000 0.268 2786 S C 0.402 175.008 174.600 0.009 0.000 1.156 2786 S CA -0.862 57.342 58.200 0.007 0.000 0.817 2786 S CB 2.198 65.402 63.200 0.006 0.000 1.122 2786 S HN -0.078 nan 8.310 nan 0.000 0.466 2787 K N 0.427 120.833 120.400 0.011 0.000 2.147 2787 K HA -0.133 4.186 4.320 -0.003 0.000 0.205 2787 K C 1.301 177.908 176.600 0.012 0.000 1.049 2787 K CA 2.094 58.389 56.287 0.013 0.000 0.936 2787 K CB -0.287 32.221 32.500 0.014 0.000 0.722 2787 K HN 0.657 nan 8.250 nan 0.000 0.446 2788 E N 0.829 121.035 120.200 0.010 0.000 2.028 2788 E HA -0.149 4.200 4.350 -0.003 0.000 0.190 2788 E C 1.838 178.442 176.600 0.007 0.000 0.984 2788 E CA 1.539 57.944 56.400 0.009 0.000 0.800 2788 E CB -0.099 29.605 29.700 0.007 0.000 0.758 2788 E HN 0.367 nan 8.360 nan 0.000 0.448 2789 E N 0.980 121.183 120.200 0.006 0.000 2.049 2789 E HA -0.272 4.076 4.350 -0.003 0.000 0.198 2789 E C 2.185 178.788 176.600 0.004 0.000 1.007 2789 E CA 1.188 57.590 56.400 0.004 0.000 0.809 2789 E CB -0.343 29.358 29.700 0.003 0.000 0.749 2789 E HN 0.282 nan 8.360 nan 0.000 0.450 2790 A N 1.522 124.346 122.820 0.007 0.000 1.892 2790 A HA -0.195 4.124 4.320 -0.003 0.000 0.218 2790 A C 2.253 179.843 177.584 0.009 0.000 1.188 2790 A CA 1.267 53.309 52.037 0.008 0.000 0.631 2790 A CB -0.767 18.241 19.000 0.014 0.000 0.822 2790 A HN 0.174 nan 8.150 nan 0.000 0.447 2791 L N -1.243 119.987 121.223 0.012 0.000 2.131 2791 L HA -0.165 4.173 4.340 -0.003 0.000 0.210 2791 L C 2.456 179.332 176.870 0.010 0.000 1.092 2791 L CA 1.544 56.392 54.840 0.014 0.000 0.759 2791 L CB -0.280 41.788 42.059 0.015 0.000 0.903 2791 L HN 0.407 nan 8.230 nan 0.000 0.435 2792 E N -0.400 119.804 120.200 0.007 0.000 2.418 2792 E HA -0.116 4.233 4.350 -0.003 0.000 0.197 2792 E C 1.881 178.481 176.600 0.001 0.000 1.026 2792 E CA 0.637 57.040 56.400 0.005 0.000 0.862 2792 E CB 0.194 29.896 29.700 0.003 0.000 0.799 2792 E HN 0.421 nan 8.360 nan 0.000 0.518 2793 L N -1.357 119.865 121.223 -0.001 0.000 2.537 2793 L HA 0.250 4.589 4.340 -0.003 0.000 0.224 2793 L C -0.365 176.499 176.870 -0.011 0.000 1.065 2793 L CA -0.100 54.736 54.840 -0.008 0.000 0.860 2793 L CB 1.081 43.134 42.059 -0.010 0.000 1.086 2793 L HN -0.164 nan 8.230 nan 0.000 0.482 2794 V N -0.160 119.752 119.914 -0.003 0.000 2.969 2794 V HA 0.356 4.475 4.120 -0.003 0.000 0.304 2794 V C -1.070 175.032 176.094 0.014 0.000 1.192 2794 V CA -1.004 61.294 62.300 -0.004 0.000 0.962 2794 V CB 2.450 34.267 31.823 -0.009 0.000 1.045 2794 V HN 0.029 nan 8.190 nan 0.000 0.428 2795 K N 2.637 123.051 120.400 0.023 0.000 2.395 2795 K HA 0.633 4.952 4.320 -0.003 0.000 0.247 2795 K C -2.984 173.649 176.600 0.054 0.000 0.973 2795 K CA -2.069 54.241 56.287 0.039 0.000 0.828 2795 K CB 2.325 34.850 32.500 0.042 0.000 1.272 2795 K HN 0.307 nan 8.250 nan 0.000 0.439 2796 P HA 0.002 nan 4.420 nan 0.000 0.266 2796 P C 0.217 177.576 177.300 0.099 0.000 1.193 2796 P CA 0.402 63.549 63.100 0.077 0.000 0.770 2796 P CB 0.300 32.042 31.700 0.071 0.000 0.836 2797 L N -1.928 119.365 121.223 0.117 0.000 4.892 2797 L HA -0.221 4.117 4.340 -0.003 0.000 0.403 2797 L C 0.404 177.411 176.870 0.230 0.000 0.913 2797 L CA 0.588 55.538 54.840 0.182 0.000 1.653 2797 L CB -1.486 40.687 42.059 0.191 0.000 1.780 2797 L HN 0.404 nan 8.230 nan 0.000 0.597 2798 D N 0.349 120.835 120.400 0.142 0.000 2.384 2798 D HA 0.564 5.203 4.640 -0.003 0.000 0.244 2798 D C -0.005 176.316 176.300 0.036 0.000 1.251 2798 D CA 0.501 54.563 54.000 0.103 0.000 0.961 2798 D CB 0.639 41.449 40.800 0.016 0.000 1.116 2798 D HN 0.171 nan 8.370 nan 0.000 0.484 2799 F N -1.670 118.156 119.950 -0.207 0.000 2.675 2799 F HA 0.798 5.324 4.527 -0.002 0.000 0.324 2799 F C -1.392 174.283 175.800 -0.207 0.000 1.106 2799 F CA -1.180 56.649 58.000 -0.286 0.000 0.970 2799 F CB 1.228 39.913 39.000 -0.525 0.000 1.385 2799 F HN 0.301 nan 8.300 nan 0.000 0.489 2800 A N 1.091 123.844 122.820 -0.111 0.000 2.498 2800 A HA 0.864 5.182 4.320 -0.003 0.000 0.298 2800 A C -1.255 176.243 177.584 -0.142 0.000 1.075 2800 A CA -0.273 51.629 52.037 -0.226 0.000 0.714 2800 A CB 1.587 20.438 19.000 -0.248 0.000 1.299 2800 A HN 1.945 nan 8.150 nan 0.000 0.407 2801 V N -1.585 118.223 119.914 -0.177 0.000 3.130 2801 V HA 0.806 4.925 4.120 -0.003 0.000 0.310 2801 V C -0.512 175.449 176.094 -0.223 0.000 1.158 2801 V CA -1.278 60.874 62.300 -0.247 0.000 1.029 2801 V CB 1.275 33.062 31.823 -0.061 0.000 1.057 2801 V HN 0.774 nan 8.190 nan 0.000 0.436 2802 F N 1.309 121.246 119.950 -0.022 0.000 2.572 2802 F HA 0.304 4.829 4.527 -0.003 0.000 0.370 2802 F C 1.329 177.113 175.800 -0.028 0.000 1.103 2802 F CA -0.192 57.794 58.000 -0.023 0.000 1.286 2802 F CB 0.414 39.411 39.000 -0.004 0.000 1.105 2802 F HN 0.439 nan 8.300 nan 0.000 0.583 2803 K N 3.151 123.642 120.400 0.152 0.000 2.485 2803 K HA 0.054 4.372 4.320 -0.003 0.000 0.277 2803 K C -0.564 176.025 176.600 -0.018 0.000 0.990 2803 K CA 0.248 56.547 56.287 0.019 0.000 0.994 2803 K CB 0.395 32.861 32.500 -0.056 0.000 0.906 2803 K HN 0.554 nan 8.250 nan 0.000 0.488 2804 K N 3.057 123.428 120.400 -0.048 0.000 2.521 2804 K HA 0.185 4.504 4.320 -0.003 0.000 0.248 2804 K C -0.934 175.659 176.600 -0.013 0.000 0.978 2804 K CA -0.437 55.855 56.287 0.008 0.000 0.947 2804 K CB 0.965 33.530 32.500 0.109 0.000 1.165 2804 K HN 0.505 nan 8.250 nan 0.000 0.445 2805 H N 1.101 120.225 119.070 0.090 0.000 2.871 2805 H HA 0.046 4.601 4.556 -0.003 0.000 0.355 2805 H C -0.928 174.504 175.328 0.173 0.000 1.092 2805 H CA 0.337 56.443 56.048 0.095 0.000 1.420 2805 H CB 0.467 30.252 29.762 0.038 0.000 1.400 2805 H HN 0.424 nan 8.280 nan 0.000 0.604 2806 F N 1.629 121.672 119.950 0.155 0.000 2.477 2806 F HA 0.397 4.923 4.527 -0.003 0.000 0.335 2806 F C -0.752 175.098 175.800 0.082 0.000 1.130 2806 F CA -0.321 57.741 58.000 0.102 0.000 0.948 2806 F CB 1.219 40.264 39.000 0.075 0.000 1.154 2806 F HN 0.380 nan 8.300 nan 0.000 0.439 2807 S N 4.069 119.551 115.700 -0.363 0.000 2.526 2807 S HA 0.734 5.203 4.470 -0.003 0.000 0.293 2807 S C -1.268 173.131 174.600 -0.335 0.000 1.092 2807 S CA -0.693 57.376 58.200 -0.220 0.000 0.980 2807 S CB 2.075 65.202 63.200 -0.121 0.000 1.048 2807 S HN 0.394 nan 8.310 nan 0.000 0.483 2808 V N 3.967 123.795 119.914 -0.143 0.000 2.448 2808 V HA 0.490 4.608 4.120 -0.003 0.000 0.295 2808 V C -0.760 175.320 176.094 -0.024 0.000 1.025 2808 V CA -0.625 61.624 62.300 -0.084 0.000 0.859 2808 V CB 1.258 33.079 31.823 -0.004 0.000 0.988 2808 V HN 0.706 nan 8.190 nan 0.000 0.431 2809 L N 4.498 125.733 121.223 0.021 0.000 2.295 2809 L HA 0.526 4.865 4.340 -0.003 0.000 0.281 2809 L C 0.636 177.573 176.870 0.112 0.000 1.018 2809 L CA -0.539 54.334 54.840 0.055 0.000 0.841 2809 L CB 0.787 42.873 42.059 0.044 0.000 1.218 2809 L HN 0.803 nan 8.230 nan 0.000 0.424 2810 N N 2.889 121.626 118.700 0.062 0.000 2.740 2810 N HA -0.213 4.526 4.740 -0.003 0.000 0.248 2810 N C 1.019 176.548 175.510 0.031 0.000 1.062 2810 N CA 1.250 54.336 53.050 0.061 0.000 0.704 2810 N CB -0.670 37.878 38.487 0.100 0.000 0.968 2810 N HN 1.052 nan 8.380 nan 0.000 0.547 2811 G N -0.226 108.577 108.800 0.005 0.000 2.353 2811 G HA2 -0.410 3.549 3.960 -0.003 0.000 0.258 2811 G HA3 -0.410 3.549 3.960 -0.003 0.000 0.258 2811 G C 0.750 175.589 174.900 -0.101 0.000 1.013 2811 G CA 1.236 46.317 45.100 -0.032 0.000 0.622 2811 G HN 0.839 nan 8.290 nan 0.000 0.535 2812 K N -1.029 119.263 120.400 -0.179 0.000 2.438 2812 K HA 0.396 4.714 4.320 -0.003 0.000 0.206 2812 K C -0.191 175.984 176.600 -0.709 0.000 1.081 2812 K CA -0.382 55.624 56.287 -0.469 0.000 1.053 2812 K CB 0.741 32.856 32.500 -0.641 0.000 0.908 2812 K HN 0.343 nan 8.250 nan 0.000 0.556 2813 Y N 0.927 121.090 120.300 -0.228 0.000 2.429 2813 Y HA 0.444 4.993 4.550 -0.003 0.000 0.342 2813 Y C -0.179 175.626 175.900 -0.158 0.000 1.004 2813 Y CA -1.129 56.861 58.100 -0.184 0.000 1.075 2813 Y CB 2.291 40.683 38.460 -0.113 0.000 1.214 2813 Y HN -0.303 nan 8.280 nan 0.000 0.455 2814 V N 2.109 122.021 119.914 -0.004 0.000 2.495 2814 V HA 0.549 4.667 4.120 -0.003 0.000 0.298 2814 V C -0.747 175.267 176.094 -0.133 0.000 1.031 2814 V CA -0.749 61.461 62.300 -0.150 0.000 0.871 2814 V CB 1.819 33.575 31.823 -0.112 0.000 0.988 2814 V HN 0.808 nan 8.190 nan 0.000 0.432 2815 S N 2.731 118.276 115.700 -0.259 0.000 2.707 2815 S HA 0.773 5.241 4.470 -0.003 0.000 0.303 2815 S C -0.412 174.098 174.600 -0.151 0.000 1.132 2815 S CA -0.539 57.591 58.200 -0.117 0.000 1.046 2815 S CB 1.678 64.852 63.200 -0.042 0.000 1.004 2815 S HN 0.911 nan 8.310 nan 0.000 0.483 2816 T N 1.568 116.124 114.554 0.003 0.000 2.893 2816 T HA 0.425 4.774 4.350 -0.003 0.000 0.337 2816 T C -1.431 173.373 174.700 0.174 0.000 1.587 2816 T CA -0.749 61.422 62.100 0.118 0.000 1.066 2816 T CB 1.034 70.068 68.868 0.275 0.000 1.414 2816 T HN 0.484 nan 8.240 nan 0.000 0.488 2817 R N 1.542 122.155 120.500 0.189 0.000 2.489 2817 R HA 0.549 4.887 4.340 -0.003 0.000 0.287 2817 R C 1.368 177.792 176.300 0.207 0.000 1.053 2817 R CA 1.615 57.837 56.100 0.205 0.000 1.036 2817 R CB -0.239 30.204 30.300 0.239 0.000 0.966 2817 R HN 1.272 nan 8.270 nan 0.000 0.432 2818 G N 3.227 112.148 108.800 0.202 0.000 2.231 2818 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.206 2818 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.206 2818 G C 0.772 175.795 174.900 0.205 0.000 0.996 2818 G CA 0.130 45.342 45.100 0.186 0.000 0.645 2818 G HN 0.528 nan 8.290 nan 0.000 0.498 2819 L N 1.034 122.400 121.223 0.237 0.000 2.081 2819 L HA -0.031 4.308 4.340 -0.003 0.000 0.212 2819 L C 1.456 178.534 176.870 0.347 0.000 1.080 2819 L CA 1.470 56.483 54.840 0.288 0.000 0.754 2819 L CB -0.325 41.879 42.059 0.243 0.000 0.893 2819 L HN 0.320 nan 8.230 nan 0.000 0.433 2820 D N 0.889 121.463 120.400 0.289 0.000 2.419 2820 D HA -0.114 4.524 4.640 -0.003 0.000 0.281 2820 D C 0.448 176.790 176.300 0.071 0.000 1.398 2820 D CA 0.617 54.787 54.000 0.283 0.000 1.047 2820 D CB 0.285 41.290 40.800 0.342 0.000 1.115 2820 D HN 0.168 nan 8.370 nan 0.000 0.540 2821 D N 1.767 122.104 120.400 -0.104 0.000 2.880 2821 D HA -0.235 4.404 4.640 -0.003 0.000 0.198 2821 D C 1.265 177.337 176.300 -0.381 0.000 1.059 2821 D CA 0.839 54.522 54.000 -0.529 0.000 1.019 2821 D CB -0.220 39.977 40.800 -1.004 0.000 1.112 2821 D HN 0.493 nan 8.370 nan 0.000 0.424 2822 R N -0.149 120.280 120.500 -0.117 0.000 2.148 2822 R HA -0.039 4.300 4.340 -0.003 0.000 0.227 2822 R C 2.324 178.594 176.300 -0.050 0.000 1.103 2822 R CA 1.346 57.422 56.100 -0.041 0.000 0.983 2822 R CB -0.900 29.471 30.300 0.117 0.000 0.874 2822 R HN 0.575 nan 8.270 nan 0.000 0.451 2823 F N -0.037 119.903 119.950 -0.017 0.000 2.234 2823 F HA 0.096 4.621 4.527 -0.003 0.000 0.299 2823 F C 1.961 177.719 175.800 -0.071 0.000 1.087 2823 F CA 1.131 59.117 58.000 -0.023 0.000 1.340 2823 F CB -1.005 38.004 39.000 0.015 0.000 1.031 2823 F HN -0.074 nan 8.300 nan 0.000 0.500 2824 G N 0.817 108.944 108.800 -1.123 0.000 2.403 2824 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.216 2824 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.216 2824 G C 1.673 176.327 174.900 -0.409 0.000 1.154 2824 G CA 1.023 45.603 45.100 -0.867 0.000 0.784 2824 G HN 0.360 nan 8.290 nan 0.000 0.538 2825 V N 0.657 120.378 119.914 -0.321 0.000 2.261 2825 V HA -0.185 3.933 4.120 -0.003 0.000 0.246 2825 V C 3.035 178.979 176.094 -0.251 0.000 1.047 2825 V CA 1.592 63.799 62.300 -0.154 0.000 1.015 2825 V CB -0.473 31.230 31.823 -0.201 0.000 0.642 2825 V HN 0.237 nan 8.190 nan 0.000 0.446 2826 V N 0.321 120.015 119.914 -0.368 0.000 2.332 2826 V HA -0.300 3.818 4.120 -0.003 0.000 0.248 2826 V C 2.639 178.624 176.094 -0.183 0.000 1.055 2826 V CA 2.240 64.348 62.300 -0.320 0.000 1.038 2826 V CB -1.115 30.612 31.823 -0.160 0.000 0.651 2826 V HN 0.583 nan 8.190 nan 0.000 0.450 2827 A N -0.990 121.749 122.820 -0.136 0.000 2.014 2827 A HA -0.017 4.301 4.320 -0.003 0.000 0.218 2827 A C 2.194 179.667 177.584 -0.185 0.000 1.163 2827 A CA 1.178 53.145 52.037 -0.116 0.000 0.652 2827 A CB -0.321 18.652 19.000 -0.044 0.000 0.808 2827 A HN 0.491 nan 8.150 nan 0.000 0.449 2828 L N -0.649 120.451 121.223 -0.205 0.000 2.044 2828 L HA -0.100 4.239 4.340 -0.003 0.000 0.205 2828 L C 2.435 179.141 176.870 -0.273 0.000 1.075 2828 L CA 1.113 55.806 54.840 -0.244 0.000 0.747 2828 L CB -0.549 41.318 42.059 -0.320 0.000 0.903 2828 L HN 0.360 nan 8.230 nan 0.000 0.435 2829 I N 0.063 120.558 120.570 -0.126 0.000 2.185 2829 I HA -0.339 3.830 4.170 -0.003 0.000 0.246 2829 I C 2.504 178.462 176.117 -0.264 0.000 1.088 2829 I CA 1.356 62.555 61.300 -0.169 0.000 1.347 2829 I CB -0.200 37.681 38.000 -0.199 0.000 1.041 2829 I HN 0.283 nan 8.210 nan 0.000 0.415 2830 E N 0.864 120.929 120.200 -0.225 0.000 2.106 2830 E HA -0.160 4.188 4.350 -0.003 0.000 0.192 2830 E C 2.139 178.610 176.600 -0.215 0.000 0.984 2830 E CA 1.479 57.763 56.400 -0.194 0.000 0.806 2830 E CB -0.160 29.459 29.700 -0.136 0.000 0.750 2830 E HN 0.459 nan 8.360 nan 0.000 0.458 2831 A N 0.179 122.835 122.820 -0.274 0.000 1.929 2831 A HA -0.085 4.233 4.320 -0.003 0.000 0.216 2831 A C 2.240 179.594 177.584 -0.384 0.000 1.176 2831 A CA 1.007 52.870 52.037 -0.289 0.000 0.628 2831 A CB -0.518 18.311 19.000 -0.285 0.000 0.816 2831 A HN 0.275 nan 8.150 nan 0.000 0.444 2832 I N -0.355 119.858 120.570 -0.594 0.000 2.142 2832 I HA -0.280 3.889 4.170 -0.003 0.000 0.240 2832 I C 2.401 178.384 176.117 -0.225 0.000 1.078 2832 I CA 1.622 62.585 61.300 -0.561 0.000 1.343 2832 I CB -0.350 37.307 38.000 -0.571 0.000 1.046 2832 I HN 0.293 nan 8.210 nan 0.000 0.405 2833 K N 0.436 120.696 120.400 -0.233 0.000 2.152 2833 K HA -0.203 4.116 4.320 -0.003 0.000 0.206 2833 K C 1.278 177.914 176.600 0.060 0.000 1.048 2833 K CA 1.437 57.660 56.287 -0.106 0.000 0.933 2833 K CB -0.162 32.145 32.500 -0.322 0.000 0.721 2833 K HN 0.340 nan 8.250 nan 0.000 0.447 2834 D N -0.005 120.386 120.400 -0.014 0.000 2.348 2834 D HA 0.028 4.667 4.640 -0.003 0.000 0.211 2834 D C 1.442 177.789 176.300 0.079 0.000 0.998 2834 D CA 0.623 54.651 54.000 0.046 0.000 0.873 2834 D CB 0.360 41.157 40.800 -0.006 0.000 0.925 2834 D HN 0.148 nan 8.370 nan 0.000 0.524 2835 L N -0.352 120.892 121.223 0.035 0.000 2.642 2835 L HA 0.114 4.452 4.340 -0.003 0.000 0.233 2835 L C 2.100 179.061 176.870 0.152 0.000 1.077 2835 L CA 0.076 54.934 54.840 0.030 0.000 0.879 2835 L CB 0.577 42.584 42.059 -0.087 0.000 1.151 2835 L HN -0.155 nan 8.230 nan 0.000 0.495 2836 V N 0.061 120.063 119.914 0.147 0.000 2.469 2836 V HA -0.214 3.905 4.120 -0.003 0.000 0.251 2836 V C 0.464 176.650 176.094 0.154 0.000 1.064 2836 V CA 1.723 64.113 62.300 0.150 0.000 1.066 2836 V CB -0.176 31.748 31.823 0.168 0.000 0.667 2836 V HN 0.364 nan 8.190 nan 0.000 0.461 2837 D N -1.072 119.442 120.400 0.189 0.000 3.139 2837 D HA 0.258 4.896 4.640 -0.003 0.000 0.268 2837 D C 0.526 176.813 176.300 -0.023 0.000 1.322 2837 D CA 0.069 54.115 54.000 0.076 0.000 0.940 2837 D CB 0.165 40.974 40.800 0.014 0.000 1.050 2837 D HN 0.580 nan 8.370 nan 0.000 0.503 2838 H N -0.543 118.595 119.070 0.113 0.000 2.039 2838 H HA 0.094 4.649 4.556 -0.002 0.000 0.141 2838 H C 0.366 175.786 175.328 0.153 0.000 1.103 2838 H CA 0.047 56.193 56.048 0.162 0.000 1.115 2838 H CB 1.915 31.849 29.762 0.287 0.000 0.802 2838 H HN 0.192 nan 8.280 nan 0.000 0.282 2839 E N 1.200 121.563 120.200 0.272 0.000 2.456 2839 E HA 0.422 4.770 4.350 -0.003 0.000 0.278 2839 E C -1.578 175.102 176.600 0.133 0.000 1.034 2839 E CA -0.592 55.936 56.400 0.213 0.000 0.846 2839 E CB 2.243 32.133 29.700 0.317 0.000 1.460 2839 E HN 0.267 nan 8.360 nan 0.000 0.463 2840 L N -0.107 121.185 121.223 0.115 0.000 2.485 2840 L HA 0.641 4.979 4.340 -0.003 0.000 0.245 2840 L C -0.255 176.664 176.870 0.081 0.000 1.137 2840 L CA 0.383 55.273 54.840 0.084 0.000 0.954 2840 L CB 1.741 43.844 42.059 0.072 0.000 1.560 2840 L HN 0.860 nan 8.230 nan 0.000 0.403 2841 E N -0.212 120.026 120.200 0.064 0.000 1.143 2841 E HA 0.181 4.530 4.350 -0.003 0.000 0.207 2841 E C -0.035 176.592 176.600 0.045 0.000 1.025 2841 E CA 0.542 56.978 56.400 0.060 0.000 0.914 2841 E CB -0.551 29.193 29.700 0.073 0.000 4.858 2841 E HN 1.410 nan 8.360 nan 0.000 0.607 2842 G N 1.153 109.975 108.800 0.037 0.000 2.927 2842 G HA2 0.094 4.053 3.960 -0.003 0.000 0.234 2842 G HA3 0.094 4.053 3.960 -0.003 0.000 0.234 2842 G C -1.237 173.685 174.900 0.036 0.000 3.444 2842 G CA -0.326 44.797 45.100 0.039 0.000 0.715 2842 G HN 0.031 nan 8.290 nan 0.000 0.422 2843 K N 1.179 121.593 120.400 0.022 0.000 2.339 2843 K HA 0.624 4.942 4.320 -0.003 0.000 0.264 2843 K C -0.073 176.514 176.600 -0.021 0.000 0.986 2843 K CA -0.654 55.648 56.287 0.024 0.000 0.866 2843 K CB 2.320 34.845 32.500 0.040 0.000 1.103 2843 K HN 0.743 nan 8.250 nan 0.000 0.441 2844 V N 2.965 122.858 119.914 -0.034 0.000 2.495 2844 V HA 0.627 4.746 4.120 -0.003 0.000 0.298 2844 V C -0.520 175.457 176.094 -0.196 0.000 1.031 2844 V CA -0.843 61.363 62.300 -0.158 0.000 0.871 2844 V CB 1.252 32.971 31.823 -0.173 0.000 0.988 2844 V HN 0.549 nan 8.190 nan 0.000 0.432 2845 I N 5.697 126.069 120.570 -0.331 0.000 2.441 2845 I HA 0.564 4.732 4.170 -0.003 0.000 0.295 2845 I C -0.859 174.989 176.117 -0.449 0.000 0.994 2845 I CA -0.261 60.882 61.300 -0.262 0.000 1.144 2845 I CB 1.854 39.688 38.000 -0.277 0.000 1.314 2845 I HN 0.554 nan 8.210 nan 0.000 0.445 2846 F N 4.695 124.607 119.950 -0.064 0.000 2.402 2846 F HA 0.698 5.223 4.527 -0.002 0.000 0.355 2846 F C 0.300 175.978 175.800 -0.205 0.000 1.123 2846 F CA -0.605 57.314 58.000 -0.135 0.000 1.021 2846 F CB 1.588 40.508 39.000 -0.135 0.000 1.160 2846 F HN 0.414 nan 8.300 nan 0.000 0.451 2847 A N 3.933 126.658 122.820 -0.158 0.000 2.318 2847 A HA 0.748 5.067 4.320 -0.003 0.000 0.317 2847 A C -1.319 176.132 177.584 -0.222 0.000 1.159 2847 A CA -0.499 51.474 52.037 -0.107 0.000 0.799 2847 A CB 0.215 19.161 19.000 -0.089 0.000 1.194 2847 A HN 0.565 nan 8.150 nan 0.000 0.479 2848 F N 2.574 122.552 119.950 0.047 0.000 2.334 2848 F HA 0.331 4.857 4.527 -0.002 0.000 0.365 2848 F C 1.427 177.255 175.800 0.047 0.000 1.124 2848 F CA -0.090 57.925 58.000 0.026 0.000 1.166 2848 F CB 1.040 40.037 39.000 -0.004 0.000 1.355 2848 F HN 0.592 nan 8.300 nan 0.000 0.532 2849 T N 0.223 114.881 114.554 0.174 0.000 2.882 2849 T HA 0.658 5.007 4.350 -0.003 0.000 0.287 2849 T C 0.046 174.835 174.700 0.149 0.000 1.014 2849 T CA -0.804 61.390 62.100 0.157 0.000 1.049 2849 T CB 1.601 70.561 68.868 0.153 0.000 1.001 2849 T HN 0.395 nan 8.240 nan 0.000 0.525 2850 V N -0.039 119.934 119.914 0.099 0.000 2.975 2850 V HA 0.515 4.633 4.120 -0.003 0.000 0.318 2850 V C 0.316 176.434 176.094 0.040 0.000 1.077 2850 V CA -1.131 61.205 62.300 0.060 0.000 1.000 2850 V CB 0.832 32.657 31.823 0.005 0.000 1.066 2850 V HN 1.056 nan 8.190 nan 0.000 0.452 2851 Q N -0.514 119.293 119.800 0.011 0.000 2.481 2851 Q HA -0.240 4.099 4.340 -0.003 0.000 0.272 2851 Q C 1.160 177.136 176.000 -0.039 0.000 1.157 2851 Q CA 1.098 56.892 55.803 -0.014 0.000 0.935 2851 Q CB -1.015 27.722 28.738 -0.001 0.000 1.338 2851 Q HN 0.978 nan 8.270 nan 0.000 0.494 2852 E N 1.151 121.288 120.200 -0.104 0.000 2.150 2852 E HA -0.169 4.180 4.350 -0.003 0.000 0.193 2852 E C 1.088 177.570 176.600 -0.198 0.000 0.985 2852 E CA 0.969 57.259 56.400 -0.183 0.000 0.814 2852 E CB 0.285 29.740 29.700 -0.409 0.000 0.752 2852 E HN 0.433 nan 8.360 nan 0.000 0.466 2853 E N 0.194 120.265 120.200 -0.216 0.000 2.511 2853 E HA -0.035 4.314 4.350 -0.003 0.000 0.196 2853 E C 1.131 177.703 176.600 -0.046 0.000 1.066 2853 E CA 0.443 56.771 56.400 -0.119 0.000 0.871 2853 E CB 0.636 30.274 29.700 -0.104 0.000 0.863 2853 E HN 0.180 nan 8.360 nan 0.000 0.520 2854 V N -3.420 116.468 119.914 -0.043 0.000 2.838 2854 V HA 0.609 4.728 4.120 -0.003 0.000 0.363 2854 V C 0.751 176.843 176.094 -0.003 0.000 1.324 2854 V CA -0.121 62.168 62.300 -0.018 0.000 1.220 2854 V CB 0.223 32.035 31.823 -0.018 0.000 1.328 2854 V HN 0.101 nan 8.190 nan 0.000 0.595 2855 G N 1.025 109.825 108.800 0.000 0.000 2.145 2855 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.176 2855 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.176 2855 G C 0.228 175.144 174.900 0.027 0.000 1.013 2855 G CA -0.248 44.861 45.100 0.015 0.000 0.689 2855 G HN 1.186 nan 8.290 nan 0.000 0.506 2856 L N -2.098 119.139 121.223 0.022 0.000 3.865 2856 L HA -0.260 4.079 4.340 -0.003 0.000 0.408 2856 L C 2.156 179.070 176.870 0.073 0.000 1.209 2856 L CA 1.165 56.036 54.840 0.052 0.000 0.940 2856 L CB -1.512 40.591 42.059 0.074 0.000 1.971 2856 L HN 0.293 nan 8.230 nan 0.000 0.899 2857 K N 0.893 121.329 120.400 0.059 0.000 2.026 2857 K HA -0.047 4.271 4.320 -0.003 0.000 0.208 2857 K C 2.073 178.750 176.600 0.129 0.000 1.048 2857 K CA 1.605 57.941 56.287 0.081 0.000 0.929 2857 K CB -0.468 32.065 32.500 0.055 0.000 0.713 2857 K HN 0.558 nan 8.250 nan 0.000 0.439 2858 G N 1.247 110.112 108.800 0.108 0.000 2.476 2858 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.218 2858 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.218 2858 G C 1.712 176.755 174.900 0.239 0.000 1.164 2858 G CA 1.486 46.671 45.100 0.141 0.000 0.768 2858 G HN 0.403 nan 8.290 nan 0.000 0.560 2859 A N 0.307 123.259 122.820 0.220 0.000 1.969 2859 A HA 0.065 4.384 4.320 -0.003 0.000 0.218 2859 A C 2.293 180.008 177.584 0.218 0.000 1.169 2859 A CA 1.966 54.184 52.037 0.302 0.000 0.635 2859 A CB -0.284 18.900 19.000 0.307 0.000 0.810 2859 A HN 0.392 nan 8.150 nan 0.000 0.445 2860 K N -1.586 118.899 120.400 0.142 0.000 2.062 2860 K HA -0.025 4.294 4.320 -0.003 0.000 0.205 2860 K C 1.686 178.336 176.600 0.083 0.000 1.051 2860 K CA 1.341 57.653 56.287 0.042 0.000 0.941 2860 K CB -0.292 32.238 32.500 0.050 0.000 0.719 2860 K HN 0.501 nan 8.250 nan 0.000 0.440 2861 F N 1.254 121.243 119.950 0.065 0.000 2.095 2861 F HA -0.235 4.290 4.527 -0.002 0.000 0.298 2861 F C 1.900 177.833 175.800 0.222 0.000 1.104 2861 F CA 1.128 59.201 58.000 0.121 0.000 1.232 2861 F CB -0.193 38.880 39.000 0.122 0.000 0.987 2861 F HN -0.071 nan 8.300 nan 0.000 0.475 2862 L N 0.612 122.143 121.223 0.514 0.000 2.187 2862 L HA -0.088 4.250 4.340 -0.003 0.000 0.213 2862 L C 2.328 179.465 176.870 0.445 0.000 1.100 2862 L CA 1.780 56.955 54.840 0.558 0.000 0.765 2862 L CB -1.040 41.337 42.059 0.530 0.000 0.904 2862 L HN 0.202 nan 8.230 nan 0.000 0.437 2863 A N -1.107 121.729 122.820 0.027 0.000 2.119 2863 A HA -0.105 4.214 4.320 -0.003 0.000 0.217 2863 A C 1.799 179.275 177.584 -0.180 0.000 1.153 2863 A CA 1.246 53.016 52.037 -0.444 0.000 0.692 2863 A CB -0.548 17.890 19.000 -0.937 0.000 0.799 2863 A HN 0.545 nan 8.150 nan 0.000 0.458 2864 N N -0.931 117.674 118.700 -0.159 0.000 2.398 2864 N HA 0.027 4.766 4.740 -0.003 0.000 0.188 2864 N C 0.413 175.667 175.510 -0.427 0.000 1.122 2864 N CA 0.663 53.525 53.050 -0.314 0.000 0.866 2864 N CB -0.069 38.144 38.487 -0.456 0.000 0.970 2864 N HN 0.715 nan 8.380 nan 0.000 0.462 2865 H N -2.231 116.787 119.070 -0.087 0.000 3.046 2865 H HA 0.265 4.820 4.556 -0.002 0.000 0.262 2865 H C -0.649 174.425 175.328 -0.423 0.000 1.044 2865 H CA 0.086 55.994 56.048 -0.234 0.000 1.209 2865 H CB 0.566 30.199 29.762 -0.214 0.000 1.507 2865 H HN 0.027 nan 8.280 nan 0.000 0.507 2866 Y N -0.530 119.916 120.300 0.243 0.000 2.457 2866 Y HA 0.273 4.821 4.550 -0.003 0.000 0.343 2866 Y C -1.210 174.902 175.900 0.354 0.000 0.994 2866 Y CA -1.322 56.941 58.100 0.273 0.000 1.031 2866 Y CB 1.535 40.164 38.460 0.281 0.000 1.246 2866 Y HN 0.001 nan 8.280 nan 0.000 0.449 2867 Y N 5.433 125.876 120.300 0.238 0.000 2.495 2867 Y HA 0.452 5.000 4.550 -0.003 0.000 0.362 2867 Y C -2.771 173.190 175.900 0.103 0.000 0.956 2867 Y CA -3.504 54.689 58.100 0.154 0.000 1.127 2867 Y CB 0.316 38.810 38.460 0.057 0.000 1.173 2867 Y HN 0.347 nan 8.280 nan 0.000 0.639 2868 P HA 0.077 nan 4.420 nan 0.000 0.274 2868 P C 0.426 177.535 177.300 -0.320 0.000 1.237 2868 P CA 0.009 63.024 63.100 -0.142 0.000 0.793 2868 P CB 1.510 33.125 31.700 -0.142 0.000 0.977 2869 Q N 0.442 120.010 119.800 -0.386 0.000 2.137 2869 Q HA -0.063 4.275 4.340 -0.003 0.000 0.198 2869 Q C -0.353 175.261 176.000 -0.644 0.000 0.960 2869 Q CA 1.148 56.601 55.803 -0.583 0.000 0.847 2869 Q CB 0.037 28.346 28.738 -0.715 0.000 0.915 2869 Q HN 0.465 nan 8.270 nan 0.000 0.448 2870 Y N -0.627 119.563 120.300 -0.182 0.000 2.364 2870 Y HA 0.620 5.168 4.550 -0.003 0.000 0.340 2870 Y C -0.565 175.146 175.900 -0.315 0.000 0.975 2870 Y CA -1.213 56.753 58.100 -0.223 0.000 1.089 2870 Y CB 1.956 40.360 38.460 -0.093 0.000 1.192 2870 Y HN 0.008 nan 8.280 nan 0.000 0.454 2871 A N 4.368 127.028 122.820 -0.268 0.000 2.311 2871 A HA 0.788 5.107 4.320 -0.003 0.000 0.306 2871 A C -1.618 175.687 177.584 -0.466 0.000 1.189 2871 A CA -0.502 51.300 52.037 -0.392 0.000 0.791 2871 A CB 0.058 18.820 19.000 -0.398 0.000 1.172 2871 A HN 0.583 nan 8.150 nan 0.000 0.481 2872 F N 1.642 121.384 119.950 -0.346 0.000 2.469 2872 F HA 0.645 5.172 4.527 -0.001 0.000 0.332 2872 F C 0.694 176.415 175.800 -0.133 0.000 1.103 2872 F CA -0.282 57.593 58.000 -0.208 0.000 0.979 2872 F CB 2.312 41.230 39.000 -0.137 0.000 1.137 2872 F HN 0.679 nan 8.300 nan 0.000 0.463 2873 A N 4.356 127.220 122.820 0.073 0.000 2.305 2873 A HA 0.766 5.084 4.320 -0.003 0.000 0.322 2873 A C -0.885 176.770 177.584 0.118 0.000 1.187 2873 A CA -0.547 51.536 52.037 0.077 0.000 0.825 2873 A CB 0.417 19.449 19.000 0.054 0.000 1.164 2873 A HN 0.552 nan 8.150 nan 0.000 0.498 2874 I N 2.986 123.595 120.570 0.066 0.000 2.354 2874 I HA 0.466 4.634 4.170 -0.003 0.000 0.286 2874 I C -0.428 175.646 176.117 -0.072 0.000 1.007 2874 I CA 0.076 61.383 61.300 0.012 0.000 1.167 2874 I CB 0.575 38.522 38.000 -0.090 0.000 1.320 2874 I HN 0.693 nan 8.210 nan 0.000 0.458 2875 D N 3.087 123.529 120.400 0.071 0.000 2.838 2875 D HA 0.396 5.034 4.640 -0.003 0.000 0.334 2875 D C -0.733 175.801 176.300 0.390 0.000 1.315 2875 D CA -0.197 53.877 54.000 0.123 0.000 0.917 2875 D CB 1.916 42.825 40.800 0.183 0.000 1.435 2875 D HN 0.284 nan 8.370 nan 0.000 0.517 2876 S N -0.009 115.926 115.700 0.392 0.000 2.603 2876 S HA 0.454 4.922 4.470 -0.003 0.000 0.268 2876 S C -0.302 174.489 174.600 0.318 0.000 1.317 2876 S CA -0.415 58.022 58.200 0.395 0.000 1.012 2876 S CB 0.488 63.871 63.200 0.305 0.000 0.926 2876 S HN 0.337 nan 8.310 nan 0.000 0.539 2877 F N 1.694 121.714 119.950 0.118 0.000 2.500 2877 F HA 0.578 5.103 4.527 -0.003 0.000 0.349 2877 F C 0.108 175.931 175.800 0.039 0.000 1.127 2877 F CA -0.908 57.138 58.000 0.078 0.000 0.998 2877 F CB 0.279 39.319 39.000 0.068 0.000 1.237 2877 F HN 0.692 nan 8.300 nan 0.000 0.439 2878 A N 5.060 127.730 122.820 -0.250 0.000 2.546 2878 A HA 0.409 4.727 4.320 -0.003 0.000 0.243 2878 A C -0.537 176.980 177.584 -0.111 0.000 1.063 2878 A CA 0.100 52.040 52.037 -0.161 0.000 0.757 2878 A CB -0.113 18.770 19.000 -0.196 0.000 0.991 2878 A HN 0.916 nan 8.150 nan 0.000 0.503 2879 C N 2.154 121.463 119.300 0.014 0.000 2.985 2879 C HA 0.699 5.158 4.460 -0.003 0.000 0.314 2879 C C -0.642 174.336 174.990 -0.020 0.000 1.215 2879 C CA -0.503 58.564 59.018 0.081 0.000 1.414 2879 C CB 0.466 28.308 27.740 0.170 0.000 1.842 2879 C HN 1.022 nan 8.230 nan 0.000 0.477 2880 C N 2.789 122.087 119.300 -0.003 0.000 2.797 2880 C HA 0.981 5.439 4.460 -0.003 0.000 0.306 2880 C C 0.012 175.024 174.990 0.036 0.000 1.207 2880 C CA -0.350 58.698 59.018 0.050 0.000 1.507 2880 C CB 1.222 28.993 27.740 0.052 0.000 2.028 2880 C HN 1.105 nan 8.230 nan 0.000 0.475 2881 S N 0.648 116.376 115.700 0.046 0.000 2.776 2881 S HA 0.636 5.105 4.470 -0.003 0.000 0.292 2881 S C -2.795 171.829 174.600 0.039 0.000 1.187 2881 S CA -0.812 57.408 58.200 0.033 0.000 0.834 2881 S CB 0.939 64.150 63.200 0.019 0.000 1.199 2881 S HN 0.345 nan 8.310 nan 0.000 0.514 2882 P HA 0.050 nan 4.420 nan 0.000 0.225 2882 P C 1.408 178.728 177.300 0.034 0.000 1.148 2882 P CA 0.364 63.482 63.100 0.030 0.000 0.779 2882 P CB -0.022 31.691 31.700 0.022 0.000 0.780 2883 L N 0.094 121.336 121.223 0.031 0.000 2.156 2883 L HA -0.022 4.316 4.340 -0.003 0.000 0.208 2883 L C 1.606 178.518 176.870 0.070 0.000 1.095 2883 L CA 2.046 56.907 54.840 0.033 0.000 0.770 2883 L CB -1.549 40.514 42.059 0.007 0.000 0.914 2883 L HN -0.009 nan 8.230 nan 0.000 0.439 2884 T N -2.936 111.676 114.554 0.098 0.000 3.235 2884 T HA 0.459 4.807 4.350 -0.003 0.000 0.251 2884 T C 1.235 176.035 174.700 0.166 0.000 1.060 2884 T CA 0.141 62.365 62.100 0.205 0.000 0.949 2884 T CB -0.966 68.071 68.868 0.281 0.000 1.020 2884 T HN 0.617 nan 8.240 nan 0.000 0.564 2885 G N 2.378 111.238 108.800 0.100 0.000 2.652 2885 G HA2 -0.325 3.634 3.960 -0.003 0.000 0.318 2885 G HA3 -0.325 3.634 3.960 -0.003 0.000 0.318 2885 G C 0.148 175.082 174.900 0.056 0.000 1.295 2885 G CA 0.490 45.631 45.100 0.068 0.000 0.999 2885 G HN 0.486 nan 8.290 nan 0.000 0.548 2886 D N 0.528 120.952 120.400 0.040 0.000 2.395 2886 D HA 0.351 4.989 4.640 -0.003 0.000 0.226 2886 D C 0.871 177.179 176.300 0.013 0.000 1.146 2886 D CA -0.011 54.005 54.000 0.027 0.000 0.830 2886 D CB 0.313 41.125 40.800 0.021 0.000 0.958 2886 D HN 0.317 nan 8.370 nan 0.000 0.501 2887 V N 1.531 121.453 119.914 0.015 0.000 2.637 2887 V HA 0.122 4.241 4.120 -0.003 0.000 0.296 2887 V C 0.512 176.603 176.094 -0.005 0.000 1.046 2887 V CA 0.227 62.505 62.300 -0.036 0.000 1.066 2887 V CB 1.011 32.763 31.823 -0.117 0.000 0.968 2887 V HN -0.050 nan 8.190 nan 0.000 0.483 2888 K N 3.729 124.109 120.400 -0.034 0.000 2.523 2888 K HA 0.492 4.810 4.320 -0.003 0.000 0.257 2888 K C -1.170 175.410 176.600 -0.035 0.000 0.932 2888 K CA -1.035 55.244 56.287 -0.014 0.000 0.812 2888 K CB 2.197 34.692 32.500 -0.009 0.000 1.326 2888 K HN 0.330 nan 8.250 nan 0.000 0.433 2889 L N 1.035 122.265 121.223 0.012 0.000 2.543 2889 L HA 0.103 4.442 4.340 -0.003 0.000 0.285 2889 L C 1.591 178.404 176.870 -0.095 0.000 1.236 2889 L CA 2.097 56.958 54.840 0.035 0.000 0.871 2889 L CB -0.121 42.082 42.059 0.240 0.000 1.121 2889 L HN 1.034 nan 8.230 nan 0.000 0.501 2890 G N 1.672 110.243 108.800 -0.381 0.000 2.217 2890 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.246 2890 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.246 2890 G C 0.964 175.608 174.900 -0.427 0.000 0.990 2890 G CA 0.274 44.866 45.100 -0.847 0.000 0.627 2890 G HN 0.572 nan 8.290 nan 0.000 0.522 2891 K N 0.757 121.010 120.400 -0.244 0.000 2.397 2891 K HA 0.485 4.803 4.320 -0.003 0.000 0.202 2891 K C 1.096 177.604 176.600 -0.154 0.000 1.022 2891 K CA 0.524 56.711 56.287 -0.167 0.000 1.141 2891 K CB 0.556 32.991 32.500 -0.108 0.000 0.857 2891 K HN 1.401 nan 8.250 nan 0.000 0.514 2892 G N 2.261 110.957 108.800 -0.173 0.000 2.525 2892 G HA2 -0.145 3.814 3.960 -0.003 0.000 0.685 2892 G HA3 -0.145 3.814 3.960 -0.003 0.000 0.685 2892 G C -3.127 171.697 174.900 -0.126 0.000 1.290 2892 G CA -1.254 43.761 45.100 -0.143 0.000 0.915 2892 G HN -0.136 nan 8.290 nan 0.000 0.548 2893 P HA 0.440 nan 4.420 nan 0.000 0.272 2893 P C -0.265 176.984 177.300 -0.084 0.000 1.230 2893 P CA -0.115 62.938 63.100 -0.078 0.000 0.788 2893 P CB 1.624 33.293 31.700 -0.051 0.000 0.949 2894 V N 3.263 123.125 119.914 -0.088 0.000 2.540 2894 V HA 0.367 4.486 4.120 -0.003 0.000 0.302 2894 V C -0.173 175.903 176.094 -0.030 0.000 1.035 2894 V CA -1.206 61.011 62.300 -0.138 0.000 0.873 2894 V CB 1.073 32.624 31.823 -0.452 0.000 0.992 2894 V HN 0.297 nan 8.190 nan 0.000 0.428 2895 I N 7.095 127.689 120.570 0.039 0.000 2.483 2895 I HA 0.296 4.464 4.170 -0.003 0.000 0.291 2895 I C 1.040 177.218 176.117 0.101 0.000 1.112 2895 I CA 0.183 61.542 61.300 0.098 0.000 1.350 2895 I CB 0.332 38.422 38.000 0.150 0.000 1.419 2895 I HN 0.565 nan 8.210 nan 0.000 0.523 2896 R N 6.295 126.892 120.500 0.161 0.000 2.605 2896 R HA 0.178 4.517 4.340 -0.003 0.000 0.271 2896 R C 0.960 177.432 176.300 0.288 0.000 1.418 2896 R CA -0.045 56.241 56.100 0.310 0.000 1.102 2896 R CB 0.404 30.909 30.300 0.342 0.000 1.131 2896 R HN 0.843 nan 8.270 nan 0.000 0.554 2897 A N 3.696 126.681 122.820 0.275 0.000 2.016 2897 A HA 0.071 4.390 4.320 -0.003 0.000 0.217 2897 A C 0.343 178.132 177.584 0.342 0.000 1.162 2897 A CA 0.652 52.852 52.037 0.271 0.000 0.662 2897 A CB 0.646 19.728 19.000 0.138 0.000 0.812 2897 A HN 0.383 nan 8.150 nan 0.000 0.450 2898 V N 1.196 121.280 119.914 0.284 0.000 2.752 2898 V HA 0.425 4.544 4.120 -0.003 0.000 0.302 2898 V C -1.554 174.614 176.094 0.123 0.000 1.133 2898 V CA -0.577 61.799 62.300 0.127 0.000 0.919 2898 V CB 2.041 33.897 31.823 0.054 0.000 1.026 2898 V HN 0.605 nan 8.190 nan 0.000 0.429 2899 D N 1.974 122.399 120.400 0.041 0.000 2.846 2899 D HA 0.330 4.969 4.640 -0.003 0.000 0.273 2899 D C 0.505 176.784 176.300 -0.035 0.000 1.145 2899 D CA -0.674 53.343 54.000 0.029 0.000 1.091 2899 D CB 0.700 41.560 40.800 0.100 0.000 1.364 2899 D HN 0.237 nan 8.370 nan 0.000 0.613 2900 N N -0.964 117.721 118.700 -0.025 0.000 2.331 2900 N HA -0.093 4.645 4.740 -0.003 0.000 0.180 2900 N C 1.483 176.965 175.510 -0.046 0.000 1.019 2900 N CA 1.191 54.221 53.050 -0.033 0.000 0.881 2900 N CB 0.007 38.482 38.487 -0.020 0.000 0.972 2900 N HN 0.441 nan 8.380 nan 0.000 0.435 2901 S N -0.473 115.201 115.700 -0.043 0.000 2.470 2901 S HA 0.350 4.819 4.470 -0.003 0.000 0.225 2901 S C 0.515 175.032 174.600 -0.138 0.000 1.006 2901 S CA 0.136 58.308 58.200 -0.048 0.000 0.934 2901 S CB 0.292 63.505 63.200 0.021 0.000 0.778 2901 S HN 0.255 nan 8.310 nan 0.000 0.517 2902 A N 0.026 122.676 122.820 -0.284 0.000 2.597 2902 A HA 0.631 4.949 4.320 -0.003 0.000 0.292 2902 A C -1.378 175.899 177.584 -0.512 0.000 1.057 2902 A CA -0.877 50.896 52.037 -0.440 0.000 0.674 2902 A CB 0.445 19.072 19.000 -0.622 0.000 1.278 2902 A HN 0.320 nan 8.150 nan 0.000 0.416 2903 I N 2.644 123.013 120.570 -0.334 0.000 2.291 2903 I HA 0.246 4.415 4.170 -0.003 0.000 0.292 2903 I C -0.456 175.528 176.117 -0.221 0.000 1.064 2903 I CA -0.148 61.015 61.300 -0.228 0.000 1.269 2903 I CB 0.074 38.013 38.000 -0.102 0.000 1.418 2903 I HN 0.651 nan 8.210 nan 0.000 0.485 2904 Y N 3.516 123.823 120.300 0.012 0.000 2.279 2904 Y HA -0.002 4.548 4.550 -0.001 0.000 0.350 2904 Y C 1.414 177.309 175.900 -0.010 0.000 1.288 2904 Y CA 0.036 58.136 58.100 -0.000 0.000 1.547 2904 Y CB 0.421 38.880 38.460 -0.002 0.000 1.381 2904 Y HN 0.451 nan 8.280 nan 0.000 0.630 2905 S N 0.843 116.645 115.700 0.170 0.000 2.509 2905 S HA 0.042 4.510 4.470 -0.003 0.000 0.287 2905 S C 0.978 175.615 174.600 0.063 0.000 1.248 2905 S CA -0.477 57.770 58.200 0.079 0.000 1.089 2905 S CB 0.161 63.393 63.200 0.053 0.000 0.900 2905 S HN 0.656 nan 8.310 nan 0.000 0.496 2906 R N 3.208 123.734 120.500 0.043 0.000 2.115 2906 R HA -0.037 4.301 4.340 -0.003 0.000 0.226 2906 R C 1.643 177.954 176.300 0.018 0.000 1.100 2906 R CA 1.368 57.483 56.100 0.024 0.000 0.980 2906 R CB -0.205 30.099 30.300 0.007 0.000 0.875 2906 R HN 0.637 nan 8.270 nan 0.000 0.445 2907 D N 0.663 121.080 120.400 0.028 0.000 2.084 2907 D HA -0.152 4.486 4.640 -0.003 0.000 0.194 2907 D C 1.668 177.991 176.300 0.038 0.000 0.990 2907 D CA 0.806 54.827 54.000 0.036 0.000 0.826 2907 D CB -0.013 40.817 40.800 0.050 0.000 0.971 2907 D HN -0.010 nan 8.370 nan 0.000 0.453 2908 L N 0.499 121.743 121.223 0.034 0.000 2.079 2908 L HA -0.039 4.299 4.340 -0.003 0.000 0.210 2908 L C 2.085 178.963 176.870 0.014 0.000 1.081 2908 L CA 2.034 56.867 54.840 -0.010 0.000 0.752 2908 L CB -1.067 40.948 42.059 -0.074 0.000 0.896 2908 L HN 0.078 nan 8.230 nan 0.000 0.433 2909 A N -0.950 121.890 122.820 0.033 0.000 1.898 2909 A HA -0.167 4.151 4.320 -0.003 0.000 0.216 2909 A C 2.394 180.035 177.584 0.095 0.000 1.181 2909 A CA 1.193 53.271 52.037 0.070 0.000 0.620 2909 A CB -0.501 18.526 19.000 0.045 0.000 0.819 2909 A HN 0.358 nan 8.150 nan 0.000 0.442 2910 R N 0.262 120.792 120.500 0.050 0.000 2.091 2910 R HA -0.108 4.231 4.340 -0.003 0.000 0.238 2910 R C 2.017 178.393 176.300 0.127 0.000 1.136 2910 R CA 1.821 57.957 56.100 0.060 0.000 0.959 2910 R CB -0.484 29.831 30.300 0.025 0.000 0.856 2910 R HN 0.638 nan 8.270 nan 0.000 0.437 2911 K N -0.290 120.161 120.400 0.084 0.000 2.026 2911 K HA -0.071 4.247 4.320 -0.003 0.000 0.208 2911 K C 2.125 178.779 176.600 0.090 0.000 1.048 2911 K CA 1.346 57.671 56.287 0.064 0.000 0.929 2911 K CB -0.264 32.231 32.500 -0.008 0.000 0.713 2911 K HN -0.051 nan 8.250 nan 0.000 0.439 2912 V N 1.137 121.122 119.914 0.119 0.000 2.287 2912 V HA -0.269 3.850 4.120 -0.003 0.000 0.248 2912 V C 1.997 178.183 176.094 0.154 0.000 1.053 2912 V CA 1.599 63.978 62.300 0.132 0.000 1.027 2912 V CB -0.533 31.408 31.823 0.196 0.000 0.646 2912 V HN 0.544 nan 8.190 nan 0.000 0.447 2913 W N 0.415 121.718 121.300 0.006 0.000 2.318 2913 W HA -0.273 4.386 4.660 -0.001 0.000 0.313 2913 W C 2.855 179.370 176.519 -0.008 0.000 1.221 2913 W CA 2.326 59.669 57.345 -0.004 0.000 1.266 2913 W CB -0.403 29.056 29.460 -0.001 0.000 1.150 2913 W HN 0.378 nan 8.180 nan 0.000 0.496 2914 S N 0.507 116.334 115.700 0.212 0.000 2.368 2914 S HA -0.202 4.267 4.470 -0.003 0.000 0.225 2914 S C 1.816 176.419 174.600 0.004 0.000 1.030 2914 S CA 1.729 59.989 58.200 0.101 0.000 0.999 2914 S CB -0.508 62.759 63.200 0.112 0.000 0.844 2914 S HN 0.280 nan 8.310 nan 0.000 0.459 2915 I N 1.384 121.958 120.570 0.006 0.000 2.493 2915 I HA -0.085 4.083 4.170 -0.003 0.000 0.254 2915 I C 2.656 178.734 176.117 -0.066 0.000 1.160 2915 I CA 0.846 62.133 61.300 -0.020 0.000 1.445 2915 I CB -0.413 37.582 38.000 -0.008 0.000 1.086 2915 I HN 0.365 nan 8.210 nan 0.000 0.433 2916 A N 0.535 123.289 122.820 -0.110 0.000 1.855 2916 A HA -0.186 4.132 4.320 -0.003 0.000 0.215 2916 A C 2.264 179.712 177.584 -0.227 0.000 1.191 2916 A CA 1.386 53.310 52.037 -0.188 0.000 0.613 2916 A CB -0.494 18.337 19.000 -0.281 0.000 0.829 2916 A HN 0.354 nan 8.150 nan 0.000 0.442 2917 E N 0.002 120.036 120.200 -0.276 0.000 2.058 2917 E HA -0.221 4.128 4.350 -0.003 0.000 0.194 2917 E C 2.092 178.613 176.600 -0.132 0.000 0.997 2917 E CA 1.492 57.752 56.400 -0.233 0.000 0.801 2917 E CB -0.217 29.361 29.700 -0.202 0.000 0.746 2917 E HN 0.567 nan 8.360 nan 0.000 0.450 2918 K N 0.543 120.888 120.400 -0.092 0.000 2.074 2918 K HA -0.111 4.208 4.320 -0.003 0.000 0.209 2918 K C 1.447 178.007 176.600 -0.066 0.000 1.048 2918 K CA 1.072 57.323 56.287 -0.061 0.000 0.926 2918 K CB -0.166 32.311 32.500 -0.038 0.000 0.713 2918 K HN 0.148 nan 8.250 nan 0.000 0.444 2919 N N 0.362 119.016 118.700 -0.077 0.000 2.362 2919 N HA 0.011 4.750 4.740 -0.003 0.000 0.211 2919 N C 0.177 175.637 175.510 -0.084 0.000 1.170 2919 N CA 0.341 53.347 53.050 -0.073 0.000 0.828 2919 N CB 0.712 39.160 38.487 -0.065 0.000 1.034 2919 N HN 0.291 nan 8.380 nan 0.000 0.475 2920 G N 1.789 110.531 108.800 -0.096 0.000 2.305 2920 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.287 2920 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.287 2920 G C -0.053 174.777 174.900 -0.116 0.000 1.036 2920 G CA 0.112 45.152 45.100 -0.100 0.000 0.887 2920 G HN 0.385 nan 8.290 nan 0.000 0.505 2921 I N -0.116 120.366 120.570 -0.147 0.000 2.354 2921 I HA 0.296 4.464 4.170 -0.003 0.000 0.292 2921 I C 0.595 176.587 176.117 -0.207 0.000 0.989 2921 I CA -0.828 60.379 61.300 -0.155 0.000 1.188 2921 I CB 1.374 39.288 38.000 -0.143 0.000 1.342 2921 I HN 0.089 nan 8.210 nan 0.000 0.457 2922 E N 6.065 126.158 120.200 -0.178 0.000 2.376 2922 E HA 0.391 4.739 4.350 -0.003 0.000 0.266 2922 E C -0.715 175.755 176.600 -0.217 0.000 1.009 2922 E CA 0.235 56.517 56.400 -0.197 0.000 0.902 2922 E CB 1.534 31.145 29.700 -0.148 0.000 0.972 2922 E HN 0.420 nan 8.360 nan 0.000 0.439 2923 I N 2.088 122.489 120.570 -0.281 0.000 2.722 2923 I HA 0.131 4.300 4.170 -0.003 0.000 0.292 2923 I C -1.225 174.830 176.117 -0.104 0.000 1.267 2923 I CA -0.458 60.701 61.300 -0.234 0.000 1.036 2923 I CB 1.470 39.271 38.000 -0.331 0.000 1.281 2923 I HN 0.555 nan 8.210 nan 0.000 0.423 2924 Q N 6.474 126.288 119.800 0.024 0.000 2.378 2924 Q HA 0.691 5.029 4.340 -0.003 0.000 0.276 2924 Q C -1.211 174.889 176.000 0.168 0.000 1.083 2924 Q CA -0.961 54.922 55.803 0.133 0.000 0.856 2924 Q CB 3.240 31.963 28.738 -0.025 0.000 1.383 2924 Q HN 0.644 nan 8.270 nan 0.000 0.458 2925 I N -0.295 120.337 120.570 0.104 0.000 2.569 2925 I HA 0.722 4.891 4.170 -0.003 0.000 0.290 2925 I C -1.197 174.902 176.117 -0.031 0.000 1.088 2925 I CA -0.376 60.941 61.300 0.028 0.000 1.047 2925 I CB 1.971 39.962 38.000 -0.014 0.000 1.237 2925 I HN 0.807 nan 8.210 nan 0.000 0.421 2926 G N 5.519 114.313 108.800 -0.009 0.000 2.708 2926 G HA2 0.647 4.606 3.960 -0.003 0.000 0.289 2926 G HA3 0.647 4.606 3.960 -0.003 0.000 0.289 2926 G C -1.881 173.238 174.900 0.364 0.000 1.416 2926 G CA -0.526 44.664 45.100 0.149 0.000 0.829 2926 G HN 0.414 nan 8.290 nan 0.000 0.480 2927 V N -0.299 119.828 119.914 0.355 0.000 2.547 2927 V HA 0.858 4.976 4.120 -0.003 0.000 0.299 2927 V C 0.430 176.613 176.094 0.148 0.000 1.040 2927 V CA -0.283 62.163 62.300 0.243 0.000 0.913 2927 V CB 1.539 33.435 31.823 0.121 0.000 0.992 2927 V HN 1.025 nan 8.190 nan 0.000 0.449 2928 T N 1.807 116.336 114.554 -0.041 0.000 2.671 2928 T HA 0.685 5.033 4.350 -0.003 0.000 0.300 2928 T C -0.230 174.369 174.700 -0.169 0.000 1.238 2928 T CA 0.217 62.129 62.100 -0.313 0.000 1.020 2928 T CB 1.711 69.973 68.868 -1.011 0.000 1.503 2928 T HN 1.016 nan 8.240 nan 0.000 0.497 2929 G N -1.012 107.674 108.800 -0.190 0.000 2.491 2929 G HA2 0.655 4.614 3.960 -0.003 0.000 0.327 2929 G HA3 0.655 4.614 3.960 -0.003 0.000 0.327 2929 G C 0.420 175.269 174.900 -0.085 0.000 1.189 2929 G CA 0.151 45.188 45.100 -0.104 0.000 0.956 2929 G HN 1.587 nan 8.290 nan 0.000 0.491 2930 G N -1.747 107.026 108.800 -0.045 0.000 2.728 2930 G HA2 0.457 4.416 3.960 -0.003 0.000 0.294 2930 G HA3 0.457 4.416 3.960 -0.003 0.000 0.294 2930 G C 0.145 175.059 174.900 0.024 0.000 1.342 2930 G CA -0.006 45.082 45.100 -0.019 0.000 0.866 2930 G HN 1.845 nan 8.290 nan 0.000 0.534 2931 G N -1.438 107.393 108.800 0.052 0.000 2.714 2931 G HA2 1.105 5.063 3.960 -0.003 0.000 0.292 2931 G HA3 1.105 5.063 3.960 -0.003 0.000 0.292 2931 G C -0.057 174.927 174.900 0.140 0.000 1.308 2931 G CA 0.912 46.069 45.100 0.096 0.000 0.964 2931 G HN 2.128 nan 8.290 nan 0.000 0.484 2932 T N -2.690 111.984 114.554 0.200 0.000 2.883 2932 T HA 0.388 4.737 4.350 -0.003 0.000 0.296 2932 T C 0.103 174.919 174.700 0.194 0.000 1.117 2932 T CA -0.509 61.708 62.100 0.195 0.000 1.006 2932 T CB 2.138 71.124 68.868 0.196 0.000 1.191 2932 T HN 0.198 nan 8.240 nan 0.000 0.508 2933 D N 0.836 121.339 120.400 0.172 0.000 2.190 2933 D HA -0.113 4.525 4.640 -0.003 0.000 0.200 2933 D C 2.309 178.755 176.300 0.243 0.000 0.992 2933 D CA 1.795 55.912 54.000 0.194 0.000 0.854 2933 D CB -0.610 40.292 40.800 0.170 0.000 0.936 2933 D HN 0.781 nan 8.370 nan 0.000 0.462 2934 A N 0.856 123.785 122.820 0.182 0.000 1.948 2934 A HA -0.229 4.090 4.320 -0.003 0.000 0.220 2934 A C 2.318 180.102 177.584 0.333 0.000 1.177 2934 A CA 2.438 54.582 52.037 0.177 0.000 0.636 2934 A CB -0.669 18.320 19.000 -0.018 0.000 0.815 2934 A HN 0.359 nan 8.150 nan 0.000 0.449 2935 S N -0.220 115.690 115.700 0.351 0.000 2.447 2935 S HA 0.150 4.618 4.470 -0.003 0.000 0.233 2935 S C 1.899 176.609 174.600 0.183 0.000 1.006 2935 S CA 1.084 59.437 58.200 0.256 0.000 0.957 2935 S CB -0.506 62.789 63.200 0.158 0.000 0.773 2935 S HN 0.920 nan 8.310 nan 0.000 0.507 2936 A N 0.308 123.258 122.820 0.216 0.000 2.121 2936 A HA 0.252 4.570 4.320 -0.003 0.000 0.218 2936 A C 1.406 178.993 177.584 0.004 0.000 1.154 2936 A CA 0.735 52.836 52.037 0.107 0.000 0.679 2936 A CB -0.704 18.368 19.000 0.120 0.000 0.795 2936 A HN 0.593 nan 8.150 nan 0.000 0.458 2937 F N -1.031 118.963 119.950 0.073 0.000 2.678 2937 F HA 0.196 4.721 4.527 -0.003 0.000 0.305 2937 F C 1.953 177.789 175.800 0.059 0.000 1.090 2937 F CA 0.065 58.104 58.000 0.066 0.000 1.272 2937 F CB -0.001 39.030 39.000 0.051 0.000 1.060 2937 F HN 0.269 nan 8.300 nan 0.000 0.576 2938 Q N 0.466 120.380 119.800 0.190 0.000 2.364 2938 Q HA -0.210 4.129 4.340 -0.003 0.000 0.209 2938 Q C 1.550 177.596 176.000 0.076 0.000 0.977 2938 Q CA 1.277 57.152 55.803 0.121 0.000 0.885 2938 Q CB -0.024 28.762 28.738 0.080 0.000 0.941 2938 Q HN 0.235 nan 8.270 nan 0.000 0.464 2939 D N -0.044 120.387 120.400 0.053 0.000 2.133 2939 D HA -0.204 4.434 4.640 -0.003 0.000 0.195 2939 D C 1.781 178.119 176.300 0.062 0.000 0.997 2939 D CA 1.555 55.568 54.000 0.022 0.000 0.840 2939 D CB 0.222 41.001 40.800 -0.036 0.000 0.947 2939 D HN 0.452 nan 8.370 nan 0.000 0.452 2940 R N -1.367 119.213 120.500 0.134 0.000 2.769 2940 R HA 0.161 4.500 4.340 -0.003 0.000 0.191 2940 R C 0.521 176.956 176.300 0.226 0.000 0.881 2940 R CA -0.133 56.116 56.100 0.247 0.000 1.133 2940 R CB 0.385 30.910 30.300 0.375 0.000 1.607 2940 R HN -0.051 nan 8.270 nan 0.000 0.613 2941 S N 1.881 117.687 115.700 0.177 0.000 2.722 2941 S HA 0.458 4.927 4.470 -0.003 0.000 0.292 2941 S C -0.336 174.275 174.600 0.018 0.000 1.135 2941 S CA -0.911 57.308 58.200 0.032 0.000 1.003 2941 S CB 1.827 65.049 63.200 0.035 0.000 1.067 2941 S HN 0.046 nan 8.310 nan 0.000 0.546 2942 K N 2.629 123.003 120.400 -0.043 0.000 2.412 2942 K HA 0.246 4.565 4.320 -0.003 0.000 0.281 2942 K C 0.232 176.809 176.600 -0.038 0.000 1.027 2942 K CA 0.104 56.394 56.287 0.005 0.000 0.989 2942 K CB 0.330 32.878 32.500 0.080 0.000 0.935 2942 K HN 0.856 nan 8.250 nan 0.000 0.475 2943 T N 0.058 114.599 114.554 -0.021 0.000 2.908 2943 T HA 0.731 5.080 4.350 -0.003 0.000 0.290 2943 T C -0.710 173.884 174.700 -0.176 0.000 1.034 2943 T CA -1.000 61.052 62.100 -0.080 0.000 1.010 2943 T CB 1.464 70.422 68.868 0.150 0.000 1.068 2943 T HN 0.343 nan 8.240 nan 0.000 0.481 2944 L N 0.782 121.715 121.223 -0.485 0.000 2.612 2944 L HA 0.789 5.127 4.340 -0.003 0.000 0.256 2944 L C -1.320 175.161 176.870 -0.648 0.000 0.949 2944 L CA -0.537 53.936 54.840 -0.612 0.000 0.867 2944 L CB 1.796 43.563 42.059 -0.487 0.000 1.417 2944 L HN 1.218 nan 8.230 nan 0.000 0.414 2945 A N 3.435 125.799 122.820 -0.759 0.000 2.325 2945 A HA 0.934 5.252 4.320 -0.003 0.000 0.333 2945 A C -1.478 176.094 177.584 -0.020 0.000 1.155 2945 A CA -0.410 51.441 52.037 -0.309 0.000 0.814 2945 A CB 1.173 19.985 19.000 -0.314 0.000 1.206 2945 A HN 1.053 nan 8.150 nan 0.000 0.482 2946 L N -0.589 120.707 121.223 0.121 0.000 2.466 2946 L HA 0.959 5.298 4.340 -0.003 0.000 0.258 2946 L C -0.301 176.673 176.870 0.174 0.000 0.973 2946 L CA -0.407 54.523 54.840 0.150 0.000 0.826 2946 L CB 1.698 43.860 42.059 0.173 0.000 1.372 2946 L HN 0.762 nan 8.230 nan 0.000 0.409 2947 S N -0.291 115.512 115.700 0.172 0.000 2.672 2947 S HA 0.803 5.271 4.470 -0.003 0.000 0.271 2947 S C -1.087 173.595 174.600 0.135 0.000 1.171 2947 S CA -0.900 57.458 58.200 0.264 0.000 0.817 2947 S CB 1.507 64.908 63.200 0.335 0.000 1.150 2947 S HN 0.607 nan 8.310 nan 0.000 0.478 2948 V N 2.636 122.584 119.914 0.058 0.000 2.532 2948 V HA 0.481 4.599 4.120 -0.003 0.000 0.295 2948 V C -2.468 173.592 176.094 -0.057 0.000 1.041 2948 V CA -2.111 60.094 62.300 -0.158 0.000 0.926 2948 V CB 1.454 32.965 31.823 -0.519 0.000 0.992 2948 V HN 0.692 nan 8.190 nan 0.000 0.457 2949 P HA 0.226 nan 4.420 nan 0.000 0.264 2949 P C -0.818 176.501 177.300 0.031 0.000 1.193 2949 P CA 0.438 63.588 63.100 0.083 0.000 0.763 2949 P CB 0.286 31.999 31.700 0.021 0.000 0.810 2950 I N 3.164 123.777 120.570 0.071 0.000 2.466 2950 I HA 0.293 4.461 4.170 -0.003 0.000 0.289 2950 I C 0.451 176.534 176.117 -0.056 0.000 1.026 2950 I CA -0.914 60.388 61.300 0.003 0.000 1.078 2950 I CB 2.021 40.047 38.000 0.043 0.000 1.249 2950 I HN 0.115 nan 8.210 nan 0.000 0.429 2951 K N 5.247 125.532 120.400 -0.191 0.000 2.144 2951 K HA 0.350 4.668 4.320 -0.003 0.000 0.270 2951 K C -0.858 175.468 176.600 -0.456 0.000 1.005 2951 K CA -0.485 55.496 56.287 -0.510 0.000 0.932 2951 K CB 0.716 32.643 32.500 -0.954 0.000 1.021 2951 K HN 0.458 nan 8.250 nan 0.000 0.462 2952 Y N -1.128 119.192 120.300 0.033 0.000 3.589 2952 Y HA -0.278 4.271 4.550 -0.002 0.000 0.218 2952 Y C 0.251 176.195 175.900 0.073 0.000 1.234 2952 Y CA -0.186 57.938 58.100 0.039 0.000 1.576 2952 Y CB -2.423 36.052 38.460 0.024 0.000 1.487 2952 Y HN 0.559 nan 8.280 nan 0.000 0.616 2953 L N 1.789 123.096 121.223 0.139 0.000 2.543 2953 L HA -0.079 4.259 4.340 -0.003 0.000 0.285 2953 L C 1.641 178.665 176.870 0.257 0.000 1.236 2953 L CA 0.982 55.917 54.840 0.158 0.000 0.871 2953 L CB 0.149 42.236 42.059 0.046 0.000 1.121 2953 L HN 0.729 nan 8.230 nan 0.000 0.501 2954 H N 0.590 119.748 119.070 0.146 0.000 2.903 2954 H HA -0.158 4.397 4.556 -0.002 0.000 0.285 2954 H C -0.084 175.342 175.328 0.162 0.000 1.231 2954 H CA 0.338 56.479 56.048 0.154 0.000 1.135 2954 H CB -1.083 28.756 29.762 0.129 0.000 1.328 2954 H HN 0.702 nan 8.280 nan 0.000 0.388 2955 S N -0.663 115.185 115.700 0.247 0.000 2.697 2955 S HA 0.305 4.774 4.470 -0.003 0.000 0.289 2955 S C 0.842 175.520 174.600 0.130 0.000 1.149 2955 S CA -0.502 57.789 58.200 0.151 0.000 0.850 2955 S CB 2.125 65.388 63.200 0.105 0.000 1.151 2955 S HN 0.407 nan 8.310 nan 0.000 0.491 2956 E N -0.504 119.712 120.200 0.026 0.000 2.512 2956 E HA 0.101 4.449 4.350 -0.003 0.000 0.195 2956 E C 0.261 176.908 176.600 0.079 0.000 1.083 2956 E CA 0.187 56.623 56.400 0.060 0.000 0.873 2956 E CB 0.005 29.687 29.700 -0.029 0.000 0.897 2956 E HN 0.322 nan 8.360 nan 0.000 0.514 2957 V N 2.004 121.970 119.914 0.087 0.000 3.346 2957 V HA -0.015 4.103 4.120 -0.003 0.000 0.309 2957 V C 0.243 176.463 176.094 0.211 0.000 1.457 2957 V CA -0.203 62.153 62.300 0.093 0.000 1.069 2957 V CB 0.066 31.884 31.823 -0.008 0.000 0.944 2957 V HN 0.347 nan 8.190 nan 0.000 0.449 2958 E N 0.473 120.798 120.200 0.208 0.000 2.442 2958 E HA 0.157 4.506 4.350 -0.003 0.000 0.262 2958 E C -0.569 176.114 176.600 0.137 0.000 1.004 2958 E CA 0.316 56.839 56.400 0.205 0.000 0.928 2958 E CB 0.527 30.343 29.700 0.193 0.000 0.937 2958 E HN 0.203 nan 8.360 nan 0.000 0.446 2959 T N 3.017 117.616 114.554 0.074 0.000 2.916 2959 T HA 0.477 4.825 4.350 -0.003 0.000 0.298 2959 T C -0.854 173.862 174.700 0.027 0.000 1.031 2959 T CA -0.847 61.280 62.100 0.045 0.000 0.993 2959 T CB 0.885 69.771 68.868 0.030 0.000 1.045 2959 T HN 0.524 nan 8.240 nan 0.000 0.454 2960 L N -0.160 121.096 121.223 0.056 0.000 2.327 2960 L HA 0.701 5.040 4.340 -0.003 0.000 0.258 2960 L C -0.608 176.328 176.870 0.111 0.000 1.024 2960 L CA -0.947 53.917 54.840 0.041 0.000 0.825 2960 L CB 1.358 43.345 42.059 -0.120 0.000 1.386 2960 L HN 0.613 nan 8.230 nan 0.000 0.417 2961 H N 1.781 120.826 119.070 -0.043 0.000 2.652 2961 H HA 0.383 4.938 4.556 -0.002 0.000 0.298 2961 H C 0.665 175.868 175.328 -0.208 0.000 1.076 2961 H CA -0.031 55.871 56.048 -0.243 0.000 1.360 2961 H CB 1.577 31.187 29.762 -0.254 0.000 1.421 2961 H HN 0.861 nan 8.280 nan 0.000 0.464 2962 L N 3.952 124.999 121.223 -0.292 0.000 2.129 2962 L HA -0.289 4.049 4.340 -0.003 0.000 0.212 2962 L C 2.309 179.169 176.870 -0.017 0.000 1.087 2962 L CA 1.773 56.532 54.840 -0.135 0.000 0.757 2962 L CB -0.325 41.629 42.059 -0.175 0.000 0.896 2962 L HN 0.615 nan 8.230 nan 0.000 0.434 2963 N N -0.265 118.515 118.700 0.134 0.000 2.120 2963 N HA -0.213 4.525 4.740 -0.003 0.000 0.188 2963 N C 1.502 177.028 175.510 0.026 0.000 1.024 2963 N CA 1.492 54.609 53.050 0.111 0.000 0.852 2963 N CB 0.020 38.605 38.487 0.164 0.000 1.003 2963 N HN 0.188 nan 8.380 nan 0.000 0.424 2964 D N 0.091 120.506 120.400 0.026 0.000 2.123 2964 D HA -0.149 4.489 4.640 -0.003 0.000 0.196 2964 D C 1.892 178.156 176.300 -0.061 0.000 0.992 2964 D CA 0.607 54.568 54.000 -0.064 0.000 0.833 2964 D CB -0.454 40.291 40.800 -0.091 0.000 0.954 2964 D HN 0.280 nan 8.370 nan 0.000 0.455 2965 L N 1.463 122.653 121.223 -0.056 0.000 2.017 2965 L HA -0.163 4.176 4.340 -0.003 0.000 0.208 2965 L C 1.955 178.816 176.870 -0.016 0.000 1.073 2965 L CA 1.776 56.595 54.840 -0.036 0.000 0.745 2965 L CB -0.629 41.413 42.059 -0.028 0.000 0.894 2965 L HN -0.022 nan 8.230 nan 0.000 0.432 2966 E N -0.425 119.762 120.200 -0.021 0.000 2.038 2966 E HA -0.278 4.070 4.350 -0.003 0.000 0.195 2966 E C 2.124 178.700 176.600 -0.040 0.000 1.000 2966 E CA 1.799 58.183 56.400 -0.027 0.000 0.803 2966 E CB -0.163 29.522 29.700 -0.025 0.000 0.750 2966 E HN 0.505 nan 8.360 nan 0.000 0.448 2967 K N 0.375 120.745 120.400 -0.049 0.000 2.209 2967 K HA -0.155 4.163 4.320 -0.003 0.000 0.204 2967 K C 2.163 178.723 176.600 -0.067 0.000 1.048 2967 K CA 0.604 56.852 56.287 -0.064 0.000 0.940 2967 K CB -0.114 32.339 32.500 -0.079 0.000 0.729 2967 K HN 0.048 nan 8.250 nan 0.000 0.451 2968 L N 0.957 122.149 121.223 -0.052 0.000 2.027 2968 L HA -0.137 4.201 4.340 -0.003 0.000 0.206 2968 L C 2.161 178.983 176.870 -0.081 0.000 1.074 2968 L CA 1.431 56.243 54.840 -0.046 0.000 0.745 2968 L CB -0.615 41.453 42.059 0.015 0.000 0.898 2968 L HN 0.057 nan 8.230 nan 0.000 0.433 2969 V N -0.895 118.975 119.914 -0.073 0.000 2.358 2969 V HA -0.271 3.848 4.120 -0.003 0.000 0.246 2969 V C 2.525 178.552 176.094 -0.111 0.000 1.047 2969 V CA 2.054 64.287 62.300 -0.111 0.000 1.035 2969 V CB -0.604 31.163 31.823 -0.093 0.000 0.658 2969 V HN 0.590 nan 8.190 nan 0.000 0.452 2970 K N -0.269 120.083 120.400 -0.079 0.000 2.074 2970 K HA -0.213 4.106 4.320 -0.003 0.000 0.209 2970 K C 2.143 178.698 176.600 -0.074 0.000 1.048 2970 K CA 2.086 58.334 56.287 -0.064 0.000 0.926 2970 K CB -0.519 31.947 32.500 -0.057 0.000 0.713 2970 K HN 0.508 nan 8.250 nan 0.000 0.444 2971 L N 1.526 122.691 121.223 -0.096 0.000 2.027 2971 L HA -0.124 4.214 4.340 -0.003 0.000 0.206 2971 L C 1.980 178.754 176.870 -0.159 0.000 1.074 2971 L CA 1.437 56.211 54.840 -0.109 0.000 0.745 2971 L CB -0.280 41.715 42.059 -0.107 0.000 0.898 2971 L HN 0.147 nan 8.230 nan 0.000 0.433 2972 I N -0.355 120.070 120.570 -0.241 0.000 2.151 2972 I HA -0.352 3.817 4.170 -0.003 0.000 0.243 2972 I C 2.414 178.340 176.117 -0.318 0.000 1.080 2972 I CA 1.799 62.836 61.300 -0.438 0.000 1.339 2972 I CB -0.410 37.248 38.000 -0.569 0.000 1.039 2972 I HN 0.393 nan 8.210 nan 0.000 0.409 2973 E N 0.878 120.960 120.200 -0.197 0.000 2.051 2973 E HA -0.218 4.130 4.350 -0.003 0.000 0.192 2973 E C 2.355 178.951 176.600 -0.006 0.000 0.991 2973 E CA 1.263 57.585 56.400 -0.130 0.000 0.799 2973 E CB -0.283 29.390 29.700 -0.045 0.000 0.748 2973 E HN 0.529 nan 8.360 nan 0.000 0.449 2974 A N 1.298 124.157 122.820 0.065 0.000 1.986 2974 A HA -0.199 4.119 4.320 -0.003 0.000 0.220 2974 A C 2.185 179.820 177.584 0.086 0.000 1.171 2974 A CA 1.270 53.387 52.037 0.133 0.000 0.640 2974 A CB -0.632 18.386 19.000 0.030 0.000 0.811 2974 A HN 0.144 nan 8.150 nan 0.000 0.451 2975 L N -1.310 119.902 121.223 -0.018 0.000 2.131 2975 L HA -0.066 4.273 4.340 -0.003 0.000 0.206 2975 L C 2.938 179.803 176.870 -0.009 0.000 1.087 2975 L CA 0.801 55.623 54.840 -0.029 0.000 0.767 2975 L CB -0.425 41.584 42.059 -0.084 0.000 0.917 2975 L HN 0.393 nan 8.230 nan 0.000 0.441 2976 A N -0.700 122.082 122.820 -0.064 0.000 2.121 2976 A HA -0.116 4.203 4.320 -0.003 0.000 0.218 2976 A C 1.937 179.393 177.584 -0.213 0.000 1.154 2976 A CA 1.283 53.235 52.037 -0.143 0.000 0.679 2976 A CB -0.508 18.351 19.000 -0.236 0.000 0.795 2976 A HN 0.371 nan 8.150 nan 0.000 0.458 2977 F N -0.972 118.985 119.950 0.012 0.000 2.343 2977 F HA 0.095 4.620 4.527 -0.003 0.000 0.286 2977 F C 2.242 178.048 175.800 0.010 0.000 1.057 2977 F CA 0.958 58.961 58.000 0.006 0.000 1.365 2977 F CB 0.294 39.280 39.000 -0.023 0.000 1.114 2977 F HN 0.201 nan 8.300 nan 0.000 0.545 2978 E N -0.059 120.256 120.200 0.192 0.000 2.511 2978 E HA 0.147 4.496 4.350 -0.003 0.000 0.209 2978 E C 0.697 177.335 176.600 0.062 0.000 0.986 2978 E CA -0.097 56.369 56.400 0.111 0.000 0.974 2978 E CB 0.919 30.667 29.700 0.081 0.000 1.030 2978 E HN 0.251 nan 8.360 nan 0.000 0.490 2979 L N 0.000 121.246 121.223 0.038 0.000 2.949 2979 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 2979 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 2979 L CB 0.000 41.998 42.059 -0.102 0.000 0.961 2979 L HN 0.000 nan 8.230 nan 0.000 0.502