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 1so2_1_D DATA FIRST_RESID 659 DATA SEQUENCE LDLILVEEYD SLIEKMSNWN FPIFELVEKM GEKSGRILSQ VMYTLFQDTG DATA SEQUENCE LLEIFKIPTQ QFMNYFRALE NGYRDIPYHN RIHATDVLHA VWYLTTRPVP DATA SEQUENCE GLQQIHNGXX XXXXXXXXXX XNHGRIAYIS SKSCSNPDES YGCLSSNIPA DATA SEQUENCE LELMALYVAA AMHDYDHPGR TNAFLVATNA PQAVLYNDRS VLENHHAASA DATA SEQUENCE WNLYLSRPEY NFLLHLDHVE FKRFRFLVIE AILATDLKKH FDFLAEFNAK DATA SEQUENCE ANDVNSNGIE WSNENDRLLV CQVCIKLADI NGPAKVRDLH LKWTEGIVNE DATA SEQUENCE FYEQGDEEAN LGLPISPFMD RSSPQLAKLQ ESFITHIVGP LCNSYDAAGL DATA SEQUENCE LPGQWLEAEX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXRRIF DATA SEQUENCE CQLMHHLTEN HKIWK 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 659 L HA 0.000 nan 4.340 nan 0.000 0.249 659 L C 0.000 176.870 176.870 -0.001 0.000 1.165 659 L CA 0.000 54.840 54.840 0.000 0.000 0.813 659 L CB 0.000 42.060 42.059 0.002 0.000 0.961 660 D N 0.236 120.635 120.400 -0.002 0.000 2.325 660 D HA 0.628 5.268 4.640 0.001 0.000 0.225 660 D C 1.403 177.703 176.300 -0.001 0.000 1.096 660 D CA 1.551 55.548 54.000 -0.005 0.000 0.844 660 D CB 0.446 41.241 40.800 -0.009 0.000 0.925 660 D HN 2.176 nan 8.370 nan 0.000 0.513 661 L N -1.046 120.179 121.223 0.003 0.000 2.446 661 L HA 0.512 4.853 4.340 0.001 0.000 0.219 661 L C 2.897 179.776 176.870 0.014 0.000 1.116 661 L CA 1.407 56.251 54.840 0.007 0.000 0.844 661 L CB -1.207 40.856 42.059 0.007 0.000 0.970 661 L HN 0.679 nan 8.230 nan 0.000 0.457 662 I N -1.468 119.110 120.570 0.012 0.000 2.480 662 I HA 0.097 4.268 4.170 0.001 0.000 0.251 662 I C 2.490 178.622 176.117 0.024 0.000 1.124 662 I CA 1.569 62.879 61.300 0.017 0.000 1.444 662 I CB -0.605 37.402 38.000 0.011 0.000 1.098 662 I HN 0.538 nan 8.210 nan 0.000 0.428 663 L N 0.309 121.544 121.223 0.019 0.000 2.127 663 L HA -0.177 4.164 4.340 0.001 0.000 0.211 663 L C 2.635 179.542 176.870 0.062 0.000 1.089 663 L CA 1.784 56.640 54.840 0.027 0.000 0.757 663 L CB -0.249 41.812 42.059 0.004 0.000 0.899 663 L HN 0.348 nan 8.230 nan 0.000 0.434 664 V N 0.163 120.107 119.914 0.050 0.000 2.231 664 V HA -0.349 3.772 4.120 0.001 0.000 0.248 664 V C 2.391 178.552 176.094 0.112 0.000 1.054 664 V CA 2.388 64.730 62.300 0.070 0.000 1.015 664 V CB -0.888 30.957 31.823 0.037 0.000 0.638 664 V HN 0.522 nan 8.190 nan 0.000 0.444 665 E N -0.143 120.101 120.200 0.074 0.000 2.097 665 E HA -0.280 4.071 4.350 0.001 0.000 0.196 665 E C 2.243 178.887 176.600 0.073 0.000 1.000 665 E CA 1.664 58.105 56.400 0.068 0.000 0.804 665 E CB -0.208 29.518 29.700 0.043 0.000 0.740 665 E HN 0.702 nan 8.360 nan 0.000 0.454 666 E N 0.128 120.372 120.200 0.073 0.000 2.012 666 E HA -0.241 4.110 4.350 0.001 0.000 0.197 666 E C 1.949 178.595 176.600 0.076 0.000 1.007 666 E CA 1.393 57.830 56.400 0.061 0.000 0.816 666 E CB -0.302 29.430 29.700 0.053 0.000 0.762 666 E HN 0.304 nan 8.360 nan 0.000 0.451 667 Y N 2.180 122.487 120.300 0.011 0.000 2.114 667 Y HA -0.298 4.252 4.550 0.001 0.000 0.282 667 Y C 1.845 177.746 175.900 0.001 0.000 1.165 667 Y CA 2.044 60.153 58.100 0.015 0.000 1.148 667 Y CB -0.042 38.444 38.460 0.043 0.000 0.972 667 Y HN 0.052 nan 8.280 nan 0.000 0.504 668 D N -0.968 119.536 120.400 0.173 0.000 2.144 668 D HA -0.174 4.467 4.640 0.001 0.000 0.200 668 D C 2.348 178.643 176.300 -0.008 0.000 0.978 668 D CA 1.428 55.481 54.000 0.088 0.000 0.833 668 D CB -0.411 40.471 40.800 0.136 0.000 0.961 668 D HN 0.401 nan 8.370 nan 0.000 0.470 669 S N 0.690 116.393 115.700 0.004 0.000 2.338 669 S HA -0.109 4.362 4.470 0.001 0.000 0.218 669 S C 2.117 176.699 174.600 -0.031 0.000 1.032 669 S CA 0.472 58.674 58.200 0.004 0.000 0.999 669 S CB -0.486 62.726 63.200 0.020 0.000 0.905 669 S HN 0.215 nan 8.310 nan 0.000 0.439 670 L N 0.899 122.079 121.223 -0.072 0.000 2.021 670 L HA -0.141 4.200 4.340 0.001 0.000 0.215 670 L C 2.422 179.149 176.870 -0.238 0.000 1.074 670 L CA 1.707 56.470 54.840 -0.129 0.000 0.760 670 L CB -0.434 41.521 42.059 -0.173 0.000 0.889 670 L HN 0.408 nan 8.230 nan 0.000 0.433 671 I N -0.024 120.348 120.570 -0.329 0.000 2.226 671 I HA -0.308 3.862 4.170 0.001 0.000 0.245 671 I C 2.536 178.574 176.117 -0.133 0.000 1.100 671 I CA 1.531 62.622 61.300 -0.349 0.000 1.374 671 I CB -1.070 36.662 38.000 -0.447 0.000 1.057 671 I HN 0.504 nan 8.210 nan 0.000 0.413 672 E N 1.273 121.438 120.200 -0.058 0.000 2.110 672 E HA -0.236 4.114 4.350 0.001 0.000 0.193 672 E C 2.097 178.741 176.600 0.073 0.000 0.988 672 E CA 1.221 57.639 56.400 0.030 0.000 0.804 672 E CB 0.156 29.879 29.700 0.038 0.000 0.745 672 E HN 0.450 nan 8.360 nan 0.000 0.458 673 K N -0.006 120.431 120.400 0.061 0.000 1.985 673 K HA -0.079 4.241 4.320 0.001 0.000 0.210 673 K C 2.246 178.970 176.600 0.207 0.000 1.047 673 K CA 1.817 58.210 56.287 0.176 0.000 0.932 673 K CB -0.155 32.507 32.500 0.269 0.000 0.716 673 K HN 0.186 nan 8.250 nan 0.000 0.439 674 M N 0.850 120.371 119.600 -0.131 0.000 2.549 674 M HA -0.074 4.406 4.480 0.001 0.000 0.260 674 M C 1.464 177.956 176.300 0.320 0.000 1.076 674 M CA 0.918 56.076 55.300 -0.237 0.000 1.090 674 M CB 0.027 32.235 32.600 -0.653 0.000 1.418 674 M HN -0.019 nan 8.290 nan 0.000 0.486 675 S N 0.452 116.329 115.700 0.295 0.000 2.603 675 S HA 0.002 4.472 4.470 0.001 0.000 0.229 675 S C 0.485 175.401 174.600 0.527 0.000 0.972 675 S CA 0.307 58.767 58.200 0.434 0.000 0.935 675 S CB -0.517 62.841 63.200 0.262 0.000 0.769 675 S HN 0.452 nan 8.310 nan 0.000 0.536 676 N N 0.115 119.094 118.700 0.464 0.000 2.443 676 N HA 0.199 4.940 4.740 0.001 0.000 0.295 676 N C 0.383 176.087 175.510 0.324 0.000 1.076 676 N CA -0.718 52.577 53.050 0.407 0.000 0.919 676 N CB 0.460 39.119 38.487 0.287 0.000 1.176 676 N HN 0.268 nan 8.380 nan 0.000 0.487 677 W N 3.371 124.594 121.300 -0.129 0.000 2.318 677 W HA -0.145 4.516 4.660 0.001 0.000 0.313 677 W C -0.223 176.243 176.519 -0.087 0.000 1.221 677 W CA 0.740 57.797 57.345 -0.481 0.000 1.266 677 W CB 0.126 29.398 29.460 -0.313 0.000 1.150 677 W HN 0.487 nan 8.180 nan 0.000 0.496 678 N N 1.984 120.633 118.700 -0.086 0.000 3.259 678 N HA -0.037 4.704 4.740 0.001 0.000 0.308 678 N C -0.667 174.774 175.510 -0.114 0.000 1.334 678 N CA 0.006 52.922 53.050 -0.223 0.000 1.202 678 N CB -1.175 37.287 38.487 -0.041 0.000 1.485 678 N HN -0.015 nan 8.380 nan 0.000 0.549 679 F N 3.667 123.419 119.950 -0.329 0.000 2.571 679 F HA 0.083 4.610 4.527 0.001 0.000 0.390 679 F C -1.535 174.112 175.800 -0.254 0.000 1.043 679 F CA -2.420 55.414 58.000 -0.277 0.000 1.164 679 F CB 0.447 39.125 39.000 -0.535 0.000 1.049 679 F HN 0.168 nan 8.300 nan 0.000 0.552 680 P HA -0.021 nan 4.420 nan 0.000 0.238 680 P C 1.423 178.090 177.300 -1.055 0.000 1.729 680 P CA 0.419 63.168 63.100 -0.585 0.000 1.055 680 P CB -0.196 31.346 31.700 -0.263 0.000 1.980 681 I N -0.088 119.624 120.570 -1.431 0.000 2.335 681 I HA -0.269 3.901 4.170 0.001 0.000 0.251 681 I C 1.433 177.046 176.117 -0.839 0.000 1.129 681 I CA 1.515 62.001 61.300 -1.357 0.000 1.402 681 I CB -0.085 37.314 38.000 -1.001 0.000 1.069 681 I HN -0.036 nan 8.210 nan 0.000 0.424 682 F N 0.858 120.542 119.950 -0.443 0.000 2.293 682 F HA -0.102 4.426 4.527 0.001 0.000 0.297 682 F C 2.420 178.064 175.800 -0.260 0.000 1.089 682 F CA 0.946 58.748 58.000 -0.329 0.000 1.377 682 F CB -0.316 38.476 39.000 -0.346 0.000 1.051 682 F HN 0.036 nan 8.300 nan 0.000 0.511 683 E N 0.313 120.432 120.200 -0.136 0.000 2.077 683 E HA -0.227 4.124 4.350 0.001 0.000 0.193 683 E C 2.119 178.653 176.600 -0.110 0.000 0.989 683 E CA 1.074 57.408 56.400 -0.109 0.000 0.800 683 E CB -0.289 29.341 29.700 -0.117 0.000 0.746 683 E HN 0.257 nan 8.360 nan 0.000 0.452 684 L N 0.628 121.745 121.223 -0.176 0.000 2.012 684 L HA -0.181 4.160 4.340 0.001 0.000 0.210 684 L C 2.196 179.022 176.870 -0.074 0.000 1.073 684 L CA 1.458 56.246 54.840 -0.086 0.000 0.748 684 L CB -0.384 41.658 42.059 -0.029 0.000 0.891 684 L HN -0.042 nan 8.230 nan 0.000 0.431 685 V N -0.233 119.614 119.914 -0.112 0.000 2.407 685 V HA -0.260 3.861 4.120 0.001 0.000 0.248 685 V C 2.630 178.698 176.094 -0.043 0.000 1.055 685 V CA 1.765 64.022 62.300 -0.073 0.000 1.049 685 V CB -0.687 31.093 31.823 -0.071 0.000 0.662 685 V HN 0.574 nan 8.190 nan 0.000 0.455 686 E N 1.284 121.459 120.200 -0.042 0.000 2.047 686 E HA -0.166 4.185 4.350 0.001 0.000 0.191 686 E C 2.244 178.825 176.600 -0.031 0.000 0.987 686 E CA 2.147 58.526 56.400 -0.035 0.000 0.799 686 E CB -0.369 29.308 29.700 -0.038 0.000 0.752 686 E HN 0.527 nan 8.360 nan 0.000 0.449 687 K N 0.743 121.124 120.400 -0.032 0.000 2.002 687 K HA -0.050 4.271 4.320 0.001 0.000 0.209 687 K C 2.236 178.825 176.600 -0.018 0.000 1.048 687 K CA 1.862 58.136 56.287 -0.021 0.000 0.930 687 K CB -1.133 31.359 32.500 -0.015 0.000 0.714 687 K HN 0.301 nan 8.250 nan 0.000 0.438 688 M N -0.077 119.511 119.600 -0.019 0.000 2.530 688 M HA 0.032 4.512 4.480 0.001 0.000 0.261 688 M C 1.863 178.153 176.300 -0.017 0.000 1.067 688 M CA 0.820 56.110 55.300 -0.017 0.000 1.071 688 M CB -0.881 31.706 32.600 -0.020 0.000 1.405 688 M HN 0.704 nan 8.290 nan 0.000 0.478 689 G N 1.330 110.118 108.800 -0.019 0.000 2.651 689 G HA2 -0.364 3.596 3.960 0.001 0.000 0.315 689 G HA3 -0.364 3.596 3.960 0.001 0.000 0.315 689 G C 0.527 175.417 174.900 -0.016 0.000 1.258 689 G CA 0.793 45.882 45.100 -0.018 0.000 1.002 689 G HN 0.550 nan 8.290 nan 0.000 0.551 690 E N 0.742 120.934 120.200 -0.013 0.000 2.418 690 E HA 0.004 4.355 4.350 0.001 0.000 0.197 690 E C 2.100 178.694 176.600 -0.010 0.000 1.026 690 E CA 0.760 57.154 56.400 -0.010 0.000 0.862 690 E CB -0.028 29.668 29.700 -0.007 0.000 0.799 690 E HN 0.435 nan 8.360 nan 0.000 0.518 691 K N 0.539 120.932 120.400 -0.012 0.000 2.417 691 K HA 0.033 4.354 4.320 0.001 0.000 0.196 691 K C 1.789 178.379 176.600 -0.017 0.000 1.023 691 K CA 0.240 56.520 56.287 -0.012 0.000 1.122 691 K CB 0.402 32.894 32.500 -0.013 0.000 0.850 691 K HN 0.037 nan 8.250 nan 0.000 0.521 692 S N -0.340 115.348 115.700 -0.019 0.000 2.469 692 S HA -0.093 4.378 4.470 0.001 0.000 0.238 692 S C 2.019 176.603 174.600 -0.027 0.000 0.998 692 S CA 0.986 59.170 58.200 -0.026 0.000 0.957 692 S CB -0.358 62.825 63.200 -0.028 0.000 0.764 692 S HN 0.356 nan 8.310 nan 0.000 0.514 693 G N 1.452 110.242 108.800 -0.017 0.000 2.470 693 G HA2 -0.097 3.863 3.960 0.001 0.000 0.220 693 G HA3 -0.097 3.863 3.960 0.001 0.000 0.220 693 G C 1.367 176.256 174.900 -0.019 0.000 1.121 693 G CA 0.036 45.129 45.100 -0.012 0.000 0.766 693 G HN 0.501 nan 8.290 nan 0.000 0.553 694 R N 0.029 120.515 120.500 -0.023 0.000 2.831 694 R HA 0.345 4.686 4.340 0.001 0.000 0.337 694 R C 1.374 177.648 176.300 -0.045 0.000 1.200 694 R CA -0.326 55.756 56.100 -0.029 0.000 1.088 694 R CB -0.016 30.272 30.300 -0.020 0.000 1.397 694 R HN 0.421 nan 8.270 nan 0.000 0.581 695 I N 0.462 120.999 120.570 -0.056 0.000 2.202 695 I HA -0.276 3.895 4.170 0.001 0.000 0.242 695 I C 1.828 177.890 176.117 -0.091 0.000 1.091 695 I CA 1.245 62.506 61.300 -0.065 0.000 1.368 695 I CB 0.200 38.157 38.000 -0.071 0.000 1.058 695 I HN 0.211 nan 8.210 nan 0.000 0.410 696 L N 0.931 122.081 121.223 -0.121 0.000 2.017 696 L HA -0.220 4.121 4.340 0.001 0.000 0.208 696 L C 2.803 179.561 176.870 -0.187 0.000 1.073 696 L CA 2.465 57.205 54.840 -0.166 0.000 0.745 696 L CB -0.898 41.047 42.059 -0.190 0.000 0.894 696 L HN 0.528 nan 8.230 nan 0.000 0.432 697 S N -1.445 114.175 115.700 -0.134 0.000 2.348 697 S HA -0.249 4.222 4.470 0.001 0.000 0.221 697 S C 1.894 176.453 174.600 -0.068 0.000 1.033 697 S CA 1.125 59.252 58.200 -0.121 0.000 1.010 697 S CB -0.829 62.350 63.200 -0.034 0.000 0.891 697 S HN 0.575 nan 8.310 nan 0.000 0.442 698 Q N 0.869 120.644 119.800 -0.043 0.000 2.096 698 Q HA -0.033 4.308 4.340 0.001 0.000 0.204 698 Q C 2.602 178.594 176.000 -0.013 0.000 0.982 698 Q CA 1.526 57.323 55.803 -0.010 0.000 0.850 698 Q CB -0.956 27.766 28.738 -0.027 0.000 0.901 698 Q HN 0.568 nan 8.270 nan 0.000 0.422 699 V N 0.885 120.743 119.914 -0.092 0.000 2.515 699 V HA -0.223 3.897 4.120 0.001 0.000 0.250 699 V C 2.384 178.362 176.094 -0.193 0.000 1.058 699 V CA 1.151 63.355 62.300 -0.160 0.000 1.064 699 V CB -0.460 31.256 31.823 -0.180 0.000 0.675 699 V HN 0.329 nan 8.190 nan 0.000 0.461 700 M N -1.014 118.446 119.600 -0.233 0.000 2.067 700 M HA -0.185 4.295 4.480 0.001 0.000 0.260 700 M C 2.308 178.520 176.300 -0.148 0.000 1.069 700 M CA 2.154 57.233 55.300 -0.369 0.000 1.117 700 M CB -0.918 31.164 32.600 -0.862 0.000 1.334 700 M HN 0.497 nan 8.290 nan 0.000 0.407 701 Y N 1.360 121.626 120.300 -0.057 0.000 2.053 701 Y HA -0.309 4.242 4.550 0.001 0.000 0.277 701 Y C 2.400 178.292 175.900 -0.013 0.000 1.159 701 Y CA 2.684 60.748 58.100 -0.059 0.000 1.125 701 Y CB -0.858 37.590 38.460 -0.021 0.000 0.969 701 Y HN 0.225 nan 8.280 nan 0.000 0.492 702 T N 1.653 116.271 114.554 0.106 0.000 2.597 702 T HA -0.274 4.077 4.350 0.001 0.000 0.267 702 T C 1.923 176.517 174.700 -0.176 0.000 1.053 702 T CA 2.357 64.453 62.100 -0.008 0.000 1.165 702 T CB -0.730 68.033 68.868 -0.175 0.000 0.863 702 T HN 0.388 nan 8.240 nan 0.000 0.427 703 L N -0.562 120.506 121.223 -0.260 0.000 2.265 703 L HA -0.018 4.323 4.340 0.001 0.000 0.215 703 L C 2.216 179.109 176.870 0.038 0.000 1.117 703 L CA 0.876 55.518 54.840 -0.331 0.000 0.782 703 L CB -0.518 41.230 42.059 -0.518 0.000 0.914 703 L HN 0.194 nan 8.230 nan 0.000 0.441 704 F N -0.268 119.559 119.950 -0.205 0.000 2.416 704 F HA -0.061 4.466 4.527 0.001 0.000 0.296 704 F C 2.697 178.374 175.800 -0.204 0.000 1.099 704 F CA 0.779 58.699 58.000 -0.134 0.000 1.427 704 F CB -0.310 38.570 39.000 -0.201 0.000 1.079 704 F HN 0.047 nan 8.300 nan 0.000 0.536 705 Q N -0.026 119.663 119.800 -0.184 0.000 2.245 705 Q HA -0.147 4.194 4.340 0.001 0.000 0.201 705 Q C 1.919 177.918 176.000 -0.002 0.000 0.955 705 Q CA 1.005 56.681 55.803 -0.212 0.000 0.870 705 Q CB -0.262 28.246 28.738 -0.385 0.000 0.945 705 Q HN 0.457 nan 8.270 nan 0.000 0.461 706 D N -0.485 119.955 120.400 0.067 0.000 2.137 706 D HA -0.100 4.541 4.640 0.001 0.000 0.202 706 D C 1.417 177.797 176.300 0.134 0.000 0.970 706 D CA 1.761 55.841 54.000 0.133 0.000 0.837 706 D CB 0.397 41.214 40.800 0.029 0.000 0.981 706 D HN 0.279 nan 8.370 nan 0.000 0.475 707 T N -3.211 111.417 114.554 0.123 0.000 3.067 707 T HA 0.286 4.637 4.350 0.001 0.000 0.257 707 T C 1.759 176.493 174.700 0.057 0.000 1.105 707 T CA 0.957 63.141 62.100 0.139 0.000 1.104 707 T CB 0.329 69.314 68.868 0.194 0.000 0.925 707 T HN 0.271 nan 8.240 nan 0.000 0.498 708 G N 1.360 110.167 108.800 0.013 0.000 2.176 708 G HA2 -0.280 3.680 3.960 0.001 0.000 0.253 708 G HA3 -0.280 3.680 3.960 0.001 0.000 0.253 708 G C 0.803 175.696 174.900 -0.011 0.000 0.979 708 G CA 0.300 45.394 45.100 -0.010 0.000 0.641 708 G HN 0.530 nan 8.290 nan 0.000 0.530 709 L N -0.157 121.044 121.223 -0.037 0.000 2.270 709 L HA -0.132 4.208 4.340 0.001 0.000 0.217 709 L C 2.913 179.867 176.870 0.140 0.000 1.107 709 L CA 1.572 56.420 54.840 0.014 0.000 0.772 709 L CB -0.375 41.465 42.059 -0.365 0.000 0.902 709 L HN 0.435 nan 8.230 nan 0.000 0.439 710 L N -1.137 120.122 121.223 0.060 0.000 2.156 710 L HA -0.139 4.202 4.340 0.001 0.000 0.208 710 L C 2.627 179.552 176.870 0.092 0.000 1.095 710 L CA 0.889 55.780 54.840 0.084 0.000 0.770 710 L CB -0.366 41.658 42.059 -0.059 0.000 0.914 710 L HN 0.291 nan 8.230 nan 0.000 0.439 711 E N 0.448 120.669 120.200 0.036 0.000 2.021 711 E HA -0.124 4.226 4.350 0.001 0.000 0.189 711 E C 2.301 178.885 176.600 -0.028 0.000 0.980 711 E CA 1.025 57.432 56.400 0.011 0.000 0.803 711 E CB -0.131 29.559 29.700 -0.016 0.000 0.766 711 E HN 0.444 nan 8.360 nan 0.000 0.449 712 I N 0.212 120.721 120.570 -0.102 0.000 2.300 712 I HA -0.260 3.910 4.170 0.001 0.000 0.252 712 I C 1.387 177.134 176.117 -0.617 0.000 1.119 712 I CA 1.499 62.578 61.300 -0.368 0.000 1.384 712 I CB -0.335 37.371 38.000 -0.491 0.000 1.062 712 I HN -0.011 nan 8.210 nan 0.000 0.426 713 F N 0.505 120.492 119.950 0.062 0.000 2.698 713 F HA 0.269 4.797 4.527 0.001 0.000 0.304 713 F C 0.441 176.330 175.800 0.148 0.000 1.108 713 F CA -0.649 57.406 58.000 0.092 0.000 1.263 713 F CB 0.205 39.248 39.000 0.071 0.000 1.013 713 F HN -0.199 nan 8.300 nan 0.000 0.532 714 K N 1.763 122.297 120.400 0.223 0.000 4.075 714 K HA -0.203 4.118 4.320 0.001 0.000 0.278 714 K C -0.394 176.348 176.600 0.236 0.000 0.862 714 K CA 0.614 57.060 56.287 0.265 0.000 0.762 714 K CB -1.536 31.210 32.500 0.410 0.000 1.660 714 K HN 0.446 nan 8.250 nan 0.000 0.437 715 I N 3.077 123.777 120.570 0.218 0.000 2.342 715 I HA 0.136 4.307 4.170 0.001 0.000 0.291 715 I C -1.370 174.859 176.117 0.186 0.000 1.010 715 I CA -2.113 59.329 61.300 0.237 0.000 1.308 715 I CB 0.982 39.215 38.000 0.388 0.000 1.400 715 I HN 0.056 nan 8.210 nan 0.000 0.488 716 P HA 0.116 nan 4.420 nan 0.000 0.282 716 P C 0.470 177.895 177.300 0.208 0.000 1.262 716 P CA -0.204 63.002 63.100 0.176 0.000 0.773 716 P CB 1.233 33.029 31.700 0.160 0.000 0.879 717 T N 2.260 116.908 114.554 0.157 0.000 2.597 717 T HA -0.253 4.098 4.350 0.001 0.000 0.267 717 T C 1.738 176.563 174.700 0.208 0.000 1.053 717 T CA 2.073 64.271 62.100 0.163 0.000 1.165 717 T CB -0.530 68.414 68.868 0.127 0.000 0.863 717 T HN 0.450 nan 8.240 nan 0.000 0.427 718 Q N 0.884 120.783 119.800 0.166 0.000 2.047 718 Q HA -0.234 4.107 4.340 0.001 0.000 0.211 718 Q C 2.347 178.480 176.000 0.221 0.000 1.005 718 Q CA 2.107 58.008 55.803 0.163 0.000 0.866 718 Q CB -0.523 28.291 28.738 0.126 0.000 0.938 718 Q HN 0.503 nan 8.270 nan 0.000 0.414 719 Q N -0.731 119.221 119.800 0.255 0.000 2.030 719 Q HA -0.119 4.222 4.340 0.001 0.000 0.204 719 Q C 1.797 178.012 176.000 0.360 0.000 0.986 719 Q CA 1.806 57.801 55.803 0.320 0.000 0.843 719 Q CB -0.628 28.318 28.738 0.346 0.000 0.904 719 Q HN 0.479 nan 8.270 nan 0.000 0.420 720 F N 0.390 120.421 119.950 0.135 0.000 2.015 720 F HA -0.345 4.182 4.527 0.001 0.000 0.297 720 F C 1.930 177.766 175.800 0.060 0.000 1.141 720 F CA 1.663 59.576 58.000 -0.144 0.000 1.192 720 F CB -0.184 38.770 39.000 -0.076 0.000 0.957 720 F HN 0.065 nan 8.300 nan 0.000 0.491 721 M N 0.553 120.443 119.600 0.483 0.000 2.144 721 M HA -0.291 4.190 4.480 0.001 0.000 0.260 721 M C 1.933 178.321 176.300 0.148 0.000 1.067 721 M CA 1.572 57.049 55.300 0.296 0.000 1.095 721 M CB -1.803 30.929 32.600 0.219 0.000 1.365 721 M HN 0.378 nan 8.290 nan 0.000 0.406 722 N N -0.688 118.116 118.700 0.173 0.000 2.120 722 N HA -0.206 4.534 4.740 0.001 0.000 0.188 722 N C 1.815 177.338 175.510 0.022 0.000 1.024 722 N CA 1.411 54.569 53.050 0.180 0.000 0.852 722 N CB -0.263 38.414 38.487 0.315 0.000 1.003 722 N HN 0.359 nan 8.380 nan 0.000 0.424 723 Y N 1.116 121.263 120.300 -0.256 0.000 2.133 723 Y HA -0.113 4.437 4.550 0.001 0.000 0.287 723 Y C 1.897 177.410 175.900 -0.646 0.000 1.134 723 Y CA 1.338 58.994 58.100 -0.739 0.000 1.133 723 Y CB -0.837 37.271 38.460 -0.587 0.000 0.987 723 Y HN -0.105 nan 8.280 nan 0.000 0.502 724 F N 0.427 120.034 119.950 -0.572 0.000 2.333 724 F HA -0.094 4.434 4.527 0.001 0.000 0.300 724 F C 2.390 177.962 175.800 -0.379 0.000 1.083 724 F CA 1.366 59.001 58.000 -0.610 0.000 1.395 724 F CB -0.441 38.204 39.000 -0.591 0.000 1.056 724 F HN -0.011 nan 8.300 nan 0.000 0.529 725 R N -0.374 120.055 120.500 -0.119 0.000 2.119 725 R HA 0.030 4.370 4.340 0.001 0.000 0.222 725 R C 2.287 178.536 176.300 -0.084 0.000 1.088 725 R CA 0.999 57.064 56.100 -0.058 0.000 0.984 725 R CB -0.459 29.838 30.300 -0.005 0.000 0.884 725 R HN 0.230 nan 8.270 nan 0.000 0.447 726 A N 0.532 123.238 122.820 -0.191 0.000 2.123 726 A HA -0.023 4.297 4.320 0.001 0.000 0.214 726 A C 1.865 179.359 177.584 -0.151 0.000 1.152 726 A CA 0.398 52.349 52.037 -0.143 0.000 0.728 726 A CB -0.053 18.835 19.000 -0.186 0.000 0.814 726 A HN 0.166 nan 8.150 nan 0.000 0.464 727 L N 0.136 121.159 121.223 -0.333 0.000 2.044 727 L HA -0.046 4.295 4.340 0.001 0.000 0.205 727 L C 2.149 179.135 176.870 0.192 0.000 1.075 727 L CA 2.136 56.839 54.840 -0.227 0.000 0.747 727 L CB -0.597 41.125 42.059 -0.562 0.000 0.903 727 L HN 0.480 nan 8.230 nan 0.000 0.435 728 E N -0.166 120.095 120.200 0.103 0.000 2.070 728 E HA -0.241 4.110 4.350 0.001 0.000 0.197 728 E C 1.474 178.187 176.600 0.188 0.000 1.004 728 E CA 1.458 57.952 56.400 0.156 0.000 0.805 728 E CB -0.354 29.364 29.700 0.030 0.000 0.744 728 E HN 0.575 nan 8.360 nan 0.000 0.451 729 N N 0.302 119.070 118.700 0.114 0.000 2.609 729 N HA -0.067 4.673 4.740 0.001 0.000 0.190 729 N C 1.513 177.078 175.510 0.092 0.000 1.157 729 N CA 0.885 53.991 53.050 0.092 0.000 0.918 729 N CB -0.018 38.507 38.487 0.064 0.000 0.978 729 N HN 0.191 nan 8.380 nan 0.000 0.448 730 G N -0.989 107.895 108.800 0.140 0.000 2.744 730 G HA2 -0.057 3.904 3.960 0.001 0.000 0.211 730 G HA3 -0.057 3.904 3.960 0.001 0.000 0.211 730 G C -0.034 174.659 174.900 -0.344 0.000 1.146 730 G CA -0.189 44.844 45.100 -0.113 0.000 0.787 730 G HN 0.191 nan 8.290 nan 0.000 0.534 731 Y N 1.876 122.116 120.300 -0.101 0.000 2.393 731 Y HA 0.338 4.888 4.550 0.001 0.000 0.338 731 Y C 1.138 177.018 175.900 -0.033 0.000 1.029 731 Y CA -0.592 57.469 58.100 -0.064 0.000 1.239 731 Y CB 0.631 39.095 38.460 0.007 0.000 1.170 731 Y HN -0.064 nan 8.280 nan 0.000 0.515 732 R N 1.586 122.138 120.500 0.087 0.000 2.594 732 R HA 0.006 4.346 4.340 0.001 0.000 0.272 732 R C -0.477 175.883 176.300 0.099 0.000 1.074 732 R CA -0.426 55.719 56.100 0.074 0.000 1.105 732 R CB 0.358 30.695 30.300 0.061 0.000 1.008 732 R HN 0.643 nan 8.270 nan 0.000 0.472 733 D N 3.786 124.226 120.400 0.067 0.000 2.508 733 D HA 0.130 4.770 4.640 0.001 0.000 0.224 733 D C -0.095 176.234 176.300 0.048 0.000 1.171 733 D CA -0.232 53.801 54.000 0.054 0.000 1.006 733 D CB -0.196 40.625 40.800 0.035 0.000 1.073 733 D HN 0.392 nan 8.370 nan 0.000 0.513 734 I N -0.745 119.861 120.570 0.059 0.000 3.023 734 I HA 0.584 4.754 4.170 0.001 0.000 0.312 734 I C -1.646 174.490 176.117 0.032 0.000 1.056 734 I CA -2.404 58.925 61.300 0.049 0.000 1.033 734 I CB 1.920 39.962 38.000 0.070 0.000 1.233 734 I HN -0.134 nan 8.210 nan 0.000 0.462 735 P HA -0.155 nan 4.420 nan 0.000 0.217 735 P C 0.831 178.142 177.300 0.017 0.000 1.151 735 P CA 1.667 64.763 63.100 -0.006 0.000 0.828 735 P CB 0.219 31.901 31.700 -0.031 0.000 0.788 736 Y N -0.392 119.809 120.300 -0.165 0.000 2.808 736 Y HA 0.204 4.755 4.550 0.001 0.000 0.244 736 Y C 1.055 176.781 175.900 -0.289 0.000 1.033 736 Y CA 0.339 58.273 58.100 -0.276 0.000 1.415 736 Y CB -0.471 37.643 38.460 -0.577 0.000 1.420 736 Y HN -0.167 nan 8.280 nan 0.000 0.484 737 H N 2.326 121.391 119.070 -0.009 0.000 3.220 737 H HA 0.168 4.724 4.556 0.001 0.000 0.225 737 H C -0.833 174.570 175.328 0.125 0.000 1.869 737 H CA -0.141 55.877 56.048 -0.050 0.000 1.428 737 H CB -1.026 28.524 29.762 -0.353 0.000 1.792 737 H HN 0.356 nan 8.280 nan 0.000 0.595 738 N N -0.832 117.988 118.700 0.199 0.000 2.890 738 N HA 0.258 4.998 4.740 0.001 0.000 0.317 738 N C 0.836 176.287 175.510 -0.098 0.000 1.355 738 N CA -1.129 52.034 53.050 0.187 0.000 0.803 738 N CB 0.885 39.427 38.487 0.090 0.000 1.465 738 N HN 0.041 nan 8.380 nan 0.000 0.591 739 R N -0.364 120.000 120.500 -0.228 0.000 2.113 739 R HA -0.083 4.258 4.340 0.001 0.000 0.244 739 R C 1.652 177.764 176.300 -0.312 0.000 1.142 739 R CA 2.110 57.932 56.100 -0.462 0.000 0.953 739 R CB -1.014 29.163 30.300 -0.204 0.000 0.860 739 R HN 0.560 nan 8.270 nan 0.000 0.438 740 I N -0.858 119.633 120.570 -0.132 0.000 2.226 740 I HA -0.287 3.884 4.170 0.001 0.000 0.245 740 I C 2.511 178.633 176.117 0.009 0.000 1.100 740 I CA 1.652 62.915 61.300 -0.062 0.000 1.374 740 I CB -0.408 37.581 38.000 -0.019 0.000 1.057 740 I HN 0.224 nan 8.210 nan 0.000 0.413 741 H N 1.237 120.260 119.070 -0.079 0.000 2.353 741 H HA -0.130 4.426 4.556 0.001 0.000 0.300 741 H C 2.119 177.316 175.328 -0.218 0.000 1.090 741 H CA 1.611 57.487 56.048 -0.285 0.000 1.327 741 H CB -0.162 29.350 29.762 -0.417 0.000 1.383 741 H HN 0.286 nan 8.280 nan 0.000 0.508 742 A N -0.326 122.303 122.820 -0.318 0.000 1.851 742 A HA -0.226 4.095 4.320 0.001 0.000 0.216 742 A C 2.560 179.965 177.584 -0.299 0.000 1.195 742 A CA 2.540 54.403 52.037 -0.290 0.000 0.622 742 A CB -1.326 17.428 19.000 -0.411 0.000 0.831 742 A HN 0.586 nan 8.150 nan 0.000 0.444 743 T N -0.277 114.122 114.554 -0.258 0.000 2.685 743 T HA -0.239 4.111 4.350 0.001 0.000 0.268 743 T C 1.631 176.252 174.700 -0.132 0.000 1.034 743 T CA 2.057 64.051 62.100 -0.177 0.000 1.149 743 T CB -0.566 68.222 68.868 -0.134 0.000 0.860 743 T HN 0.722 nan 8.240 nan 0.000 0.449 744 D N 0.355 120.645 120.400 -0.182 0.000 2.144 744 D HA -0.085 4.556 4.640 0.001 0.000 0.199 744 D C 1.989 178.175 176.300 -0.190 0.000 0.984 744 D CA 0.707 54.597 54.000 -0.183 0.000 0.834 744 D CB -0.116 40.498 40.800 -0.309 0.000 0.955 744 D HN 0.226 nan 8.370 nan 0.000 0.465 745 V N 0.495 120.219 119.914 -0.316 0.000 2.453 745 V HA -0.138 3.983 4.120 0.001 0.000 0.247 745 V C 2.362 178.367 176.094 -0.149 0.000 1.048 745 V CA 1.174 63.309 62.300 -0.276 0.000 1.049 745 V CB -0.578 30.962 31.823 -0.473 0.000 0.672 745 V HN 0.309 nan 8.190 nan 0.000 0.457 746 L N 0.536 121.666 121.223 -0.155 0.000 1.971 746 L HA -0.254 4.087 4.340 0.001 0.000 0.215 746 L C 2.555 179.418 176.870 -0.011 0.000 1.072 746 L CA 2.548 57.330 54.840 -0.097 0.000 0.758 746 L CB -1.385 40.596 42.059 -0.129 0.000 0.889 746 L HN 0.521 nan 8.230 nan 0.000 0.433 747 H N -0.073 118.966 119.070 -0.051 0.000 2.353 747 H HA -0.169 4.387 4.556 0.001 0.000 0.298 747 H C 1.840 177.319 175.328 0.251 0.000 1.103 747 H CA 1.995 58.092 56.048 0.082 0.000 1.293 747 H CB -0.049 29.730 29.762 0.029 0.000 1.372 747 H HN 0.501 nan 8.280 nan 0.000 0.501 748 A N 0.996 124.006 122.820 0.317 0.000 1.902 748 A HA -0.116 4.205 4.320 0.001 0.000 0.217 748 A C 2.942 180.665 177.584 0.232 0.000 1.181 748 A CA 2.490 54.751 52.037 0.373 0.000 0.623 748 A CB -1.029 18.135 19.000 0.272 0.000 0.818 748 A HN 0.406 nan 8.150 nan 0.000 0.443 749 V N -3.571 116.411 119.914 0.114 0.000 2.307 749 V HA -0.212 3.909 4.120 0.001 0.000 0.245 749 V C 2.227 178.356 176.094 0.058 0.000 1.045 749 V CA 1.559 63.920 62.300 0.102 0.000 1.024 749 V CB -1.659 30.247 31.823 0.140 0.000 0.651 749 V HN 0.732 nan 8.190 nan 0.000 0.449 750 W N 0.841 121.966 121.300 -0.291 0.000 2.298 750 W HA -0.320 4.340 4.660 0.001 0.000 0.328 750 W C 2.546 178.981 176.519 -0.141 0.000 1.259 750 W CA 2.285 59.355 57.345 -0.458 0.000 1.251 750 W CB -1.165 27.964 29.460 -0.552 0.000 1.161 750 W HN 0.367 nan 8.180 nan 0.000 0.466 751 Y N 0.506 120.470 120.300 -0.559 0.000 2.114 751 Y HA -0.307 4.244 4.550 0.001 0.000 0.282 751 Y C 2.435 178.091 175.900 -0.406 0.000 1.165 751 Y CA 2.844 60.536 58.100 -0.680 0.000 1.148 751 Y CB -0.654 37.676 38.460 -0.217 0.000 0.972 751 Y HN -0.009 nan 8.280 nan 0.000 0.504 752 L N -0.806 120.414 121.223 -0.006 0.000 2.217 752 L HA -0.141 4.200 4.340 0.001 0.000 0.211 752 L C 2.306 179.140 176.870 -0.060 0.000 1.107 752 L CA 1.620 56.451 54.840 -0.015 0.000 0.783 752 L CB -0.678 41.410 42.059 0.048 0.000 0.919 752 L HN 0.362 nan 8.230 nan 0.000 0.442 753 T N -5.653 108.853 114.554 -0.081 0.000 3.081 753 T HA -0.018 4.332 4.350 0.001 0.000 0.250 753 T C 1.253 175.867 174.700 -0.143 0.000 1.100 753 T CA 0.702 62.785 62.100 -0.028 0.000 1.038 753 T CB -0.138 68.806 68.868 0.126 0.000 0.962 753 T HN 0.307 nan 8.240 nan 0.000 0.516 754 T N -0.275 114.064 114.554 -0.358 0.000 3.380 754 T HA 0.490 4.840 4.350 0.001 0.000 0.289 754 T C 0.031 174.437 174.700 -0.491 0.000 1.012 754 T CA -0.882 60.972 62.100 -0.410 0.000 0.944 754 T CB 0.240 68.778 68.868 -0.550 0.000 1.172 754 T HN 0.029 nan 8.240 nan 0.000 0.502 755 R N 1.166 121.400 120.500 -0.442 0.000 2.795 755 R HA 0.507 4.848 4.340 0.001 0.000 0.275 755 R C -3.291 172.866 176.300 -0.237 0.000 0.981 755 R CA -2.641 53.198 56.100 -0.435 0.000 0.917 755 R CB 1.011 30.914 30.300 -0.662 0.000 1.202 755 R HN 0.017 nan 8.270 nan 0.000 0.469 756 P HA -0.032 nan 4.420 nan 0.000 0.253 756 P C -0.458 176.917 177.300 0.125 0.000 1.170 756 P CA 0.324 63.427 63.100 0.006 0.000 0.806 756 P CB 0.204 31.817 31.700 -0.145 0.000 0.775 757 V N 7.620 127.583 119.914 0.081 0.000 2.288 757 V HA 0.193 4.314 4.120 0.001 0.000 0.266 757 V C -1.927 174.083 176.094 -0.139 0.000 1.048 757 V CA -2.183 60.085 62.300 -0.052 0.000 0.842 757 V CB 0.839 32.599 31.823 -0.106 0.000 1.064 757 V HN 0.411 nan 8.190 nan 0.000 0.472 758 P HA -0.036 nan 4.420 nan 0.000 0.255 758 P C 1.100 178.162 177.300 -0.397 0.000 1.141 758 P CA 1.861 64.461 63.100 -0.834 0.000 0.767 758 P CB 0.083 30.855 31.700 -1.547 0.000 0.726 759 G N 1.826 110.690 108.800 0.106 0.000 2.143 759 G HA2 -0.272 3.689 3.960 0.001 0.000 0.248 759 G HA3 -0.272 3.689 3.960 0.001 0.000 0.248 759 G C -0.101 174.828 174.900 0.049 0.000 0.991 759 G CA -0.265 44.964 45.100 0.215 0.000 0.689 759 G HN 0.584 nan 8.290 nan 0.000 0.522 760 L N 0.667 121.882 121.223 -0.013 0.000 2.371 760 L HA 0.754 5.095 4.340 0.001 0.000 0.272 760 L C 0.611 177.443 176.870 -0.064 0.000 1.124 760 L CA 0.587 55.392 54.840 -0.058 0.000 0.816 760 L CB 0.589 42.575 42.059 -0.121 0.000 1.129 760 L HN 0.709 nan 8.230 nan 0.000 0.448 761 Q N 3.563 123.311 119.800 -0.086 0.000 2.259 761 Q HA 0.492 4.833 4.340 0.001 0.000 0.246 761 Q C -0.591 175.297 176.000 -0.188 0.000 0.920 761 Q CA -0.621 55.129 55.803 -0.088 0.000 0.895 761 Q CB 0.617 29.340 28.738 -0.025 0.000 1.220 761 Q HN 0.694 nan 8.270 nan 0.000 0.439 762 Q N 0.517 120.232 119.800 -0.141 0.000 2.257 762 Q HA 0.589 4.929 4.340 0.001 0.000 0.255 762 Q C 1.043 176.954 176.000 -0.148 0.000 0.920 762 Q CA 0.465 56.163 55.803 -0.174 0.000 0.927 762 Q CB 1.380 30.038 28.738 -0.133 0.000 1.229 762 Q HN 0.931 nan 8.270 nan 0.000 0.433 763 I N 0.898 121.362 120.570 -0.177 0.000 2.556 763 I HA -0.074 4.097 4.170 0.001 0.000 0.251 763 I C 1.883 177.903 176.117 -0.162 0.000 1.105 763 I CA 2.099 63.337 61.300 -0.104 0.000 1.436 763 I CB -1.907 36.080 38.000 -0.022 0.000 1.139 763 I HN 0.938 nan 8.210 nan 0.000 0.438 764 H N 1.205 120.086 119.070 -0.315 0.000 2.568 764 H HA 0.324 4.881 4.556 0.001 0.000 0.285 764 H C 1.602 176.795 175.328 -0.226 0.000 1.048 764 H CA 1.434 57.232 56.048 -0.416 0.000 1.197 764 H CB -2.208 27.158 29.762 -0.661 0.000 1.343 764 H HN 2.126 nan 8.280 nan 0.000 0.614 765 N N -0.710 117.899 118.700 -0.153 0.000 2.669 765 N HA 0.219 4.960 4.740 0.001 0.000 0.266 765 N C 1.902 177.355 175.510 -0.096 0.000 1.024 765 N CA 1.315 54.306 53.050 -0.099 0.000 0.766 765 N CB -2.061 36.383 38.487 -0.070 0.000 0.898 765 N HN 2.536 nan 8.380 nan 0.000 0.548 781 H N -0.385 118.691 119.070 0.010 0.000 1.532 781 H HA -0.147 4.410 4.556 0.001 0.000 0.094 781 H C 0.405 175.742 175.328 0.016 0.000 1.033 781 H CA 2.033 58.089 56.048 0.014 0.000 1.882 781 H CB -1.184 28.587 29.762 0.015 0.000 2.241 781 H HN 1.119 nan 8.280 nan 0.000 0.952 782 G N -1.108 107.937 108.800 0.409 0.000 1.954 782 G HA2 0.451 4.412 3.960 0.001 0.000 0.169 782 G HA3 0.451 4.412 3.960 0.001 0.000 0.169 782 G C -0.154 174.864 174.900 0.197 0.000 1.013 782 G CA 1.208 46.426 45.100 0.197 0.000 1.258 782 G HN 1.254 nan 8.290 nan 0.000 0.442 783 R N -0.215 120.369 120.500 0.139 0.000 2.856 783 R HA 0.894 5.234 4.340 0.001 0.000 0.258 783 R C 0.599 176.974 176.300 0.126 0.000 1.066 783 R CA -0.221 55.963 56.100 0.139 0.000 1.045 783 R CB 0.203 30.580 30.300 0.128 0.000 1.178 783 R HN 1.691 nan 8.270 nan 0.000 0.499 784 I N -0.526 120.133 120.570 0.149 0.000 2.365 784 I HA 0.703 4.873 4.170 0.001 0.000 0.291 784 I C 0.543 176.710 176.117 0.084 0.000 1.004 784 I CA -0.804 60.540 61.300 0.073 0.000 1.311 784 I CB 1.792 39.785 38.000 -0.011 0.000 1.401 784 I HN 0.768 nan 8.210 nan 0.000 0.491 785 A N 6.054 128.876 122.820 0.003 0.000 2.491 785 A HA 0.370 4.690 4.320 0.001 0.000 0.261 785 A C -0.819 176.752 177.584 -0.021 0.000 1.101 785 A CA 0.201 52.247 52.037 0.014 0.000 0.772 785 A CB -0.326 18.600 19.000 -0.124 0.000 1.043 785 A HN 0.688 nan 8.150 nan 0.000 0.501 786 Y N 1.546 121.848 120.300 0.004 0.000 2.519 786 Y HA 0.567 5.117 4.550 0.001 0.000 0.324 786 Y C 0.679 176.584 175.900 0.008 0.000 1.214 786 Y CA -0.907 57.203 58.100 0.016 0.000 1.260 786 Y CB 0.877 39.339 38.460 0.003 0.000 1.311 786 Y HN 0.438 nan 8.280 nan 0.000 0.505 787 I N 0.172 120.851 120.570 0.182 0.000 2.982 787 I HA 0.440 4.610 4.170 0.001 0.000 0.312 787 I C -0.498 175.678 176.117 0.099 0.000 1.041 787 I CA -0.582 60.786 61.300 0.113 0.000 1.053 787 I CB 1.785 39.845 38.000 0.100 0.000 1.248 787 I HN 0.453 nan 8.210 nan 0.000 0.471 788 S N 1.612 117.358 115.700 0.076 0.000 2.652 788 S HA 0.196 4.666 4.470 0.001 0.000 0.273 788 S C -0.661 173.977 174.600 0.064 0.000 1.172 788 S CA -0.303 57.925 58.200 0.047 0.000 1.009 788 S CB 1.118 64.332 63.200 0.023 0.000 1.094 788 S HN 0.636 nan 8.310 nan 0.000 0.471 789 S N 2.750 118.489 115.700 0.065 0.000 2.562 789 S HA 0.228 4.698 4.470 0.001 0.000 0.281 789 S C 1.138 175.793 174.600 0.090 0.000 1.333 789 S CA 0.000 58.277 58.200 0.128 0.000 1.052 789 S CB 0.445 63.725 63.200 0.133 0.000 0.884 789 S HN 0.729 nan 8.310 nan 0.000 0.506 790 K N 1.941 122.414 120.400 0.123 0.000 2.305 790 K HA -0.005 4.316 4.320 0.001 0.000 0.199 790 K C 1.959 178.617 176.600 0.097 0.000 1.047 790 K CA 0.980 57.325 56.287 0.095 0.000 0.976 790 K CB -0.016 32.548 32.500 0.108 0.000 0.765 790 K HN 0.698 nan 8.250 nan 0.000 0.474 791 S N 0.019 115.801 115.700 0.135 0.000 2.603 791 S HA 0.008 4.479 4.470 0.001 0.000 0.220 791 S C 0.887 175.527 174.600 0.067 0.000 0.967 791 S CA -0.114 58.160 58.200 0.123 0.000 0.920 791 S CB -0.967 62.350 63.200 0.195 0.000 0.773 791 S HN 0.400 nan 8.310 nan 0.000 0.529 792 C N -0.349 118.962 119.300 0.019 0.000 3.336 792 C HA 0.951 5.412 4.460 0.001 0.000 0.339 792 C C -0.750 174.204 174.990 -0.060 0.000 1.468 792 C CA -0.282 58.709 59.018 -0.045 0.000 1.287 792 C CB 1.141 28.807 27.740 -0.124 0.000 1.682 792 C HN 0.728 nan 8.230 nan 0.000 0.451 793 S N 0.004 115.648 115.700 -0.093 0.000 2.578 793 S HA 0.466 4.936 4.470 0.001 0.000 0.272 793 S C -1.870 172.649 174.600 -0.136 0.000 1.145 793 S CA -0.582 57.563 58.200 -0.092 0.000 0.835 793 S CB 0.740 63.902 63.200 -0.064 0.000 1.104 793 S HN 0.965 nan 8.310 nan 0.000 0.458 794 N N 2.082 120.711 118.700 -0.119 0.000 2.470 794 N HA 0.205 4.946 4.740 0.001 0.000 0.268 794 N C -1.679 173.730 175.510 -0.169 0.000 1.136 794 N CA -1.188 51.776 53.050 -0.144 0.000 0.961 794 N CB 1.102 39.560 38.487 -0.048 0.000 1.067 794 N HN 0.465 nan 8.380 nan 0.000 0.468 795 P HA -0.190 nan 4.420 nan 0.000 0.215 795 P C -0.369 176.896 177.300 -0.057 0.000 1.163 795 P CA 1.691 64.642 63.100 -0.248 0.000 0.894 795 P CB 0.347 31.750 31.700 -0.496 0.000 0.791 796 D N -5.045 115.388 120.400 0.054 0.000 4.751 796 D HA 0.258 4.899 4.640 0.001 0.000 0.300 796 D C 1.225 177.585 176.300 0.099 0.000 1.775 796 D CA 0.060 54.107 54.000 0.078 0.000 0.996 796 D CB -0.733 40.115 40.800 0.080 0.000 1.564 796 D HN -0.039 nan 8.370 nan 0.000 0.681 797 E N -0.133 120.114 120.200 0.079 0.000 2.389 797 E HA 0.166 4.517 4.350 0.001 0.000 0.199 797 E C 1.625 178.260 176.600 0.058 0.000 0.978 797 E CA 0.819 57.246 56.400 0.045 0.000 0.912 797 E CB -0.444 29.255 29.700 -0.001 0.000 0.907 797 E HN 0.414 nan 8.360 nan 0.000 0.494 798 S N -0.915 114.825 115.700 0.067 0.000 2.607 798 S HA 0.217 4.687 4.470 0.001 0.000 0.224 798 S C 0.326 175.002 174.600 0.127 0.000 0.969 798 S CA -0.141 58.053 58.200 -0.010 0.000 0.927 798 S CB -0.619 62.373 63.200 -0.346 0.000 0.772 798 S HN 0.463 nan 8.310 nan 0.000 0.533 799 Y N 0.501 120.894 120.300 0.155 0.000 2.650 799 Y HA 0.715 5.266 4.550 0.001 0.000 0.331 799 Y C 0.677 176.585 175.900 0.014 0.000 1.082 799 Y CA -0.584 57.591 58.100 0.124 0.000 1.171 799 Y CB 1.841 40.352 38.460 0.086 0.000 1.326 799 Y HN 0.168 nan 8.280 nan 0.000 0.513 800 G N 0.001 108.893 108.800 0.154 0.000 2.289 800 G HA2 0.414 4.374 3.960 0.001 0.000 0.315 800 G HA3 0.414 4.374 3.960 0.001 0.000 0.315 800 G C -1.200 173.659 174.900 -0.069 0.000 1.587 800 G CA -0.926 44.172 45.100 -0.003 0.000 0.949 800 G HN 0.941 nan 8.290 nan 0.000 0.626 801 C N 1.307 120.546 119.300 -0.102 0.000 2.396 801 C HA 0.715 5.175 4.460 0.001 0.000 0.359 801 C C 1.918 176.798 174.990 -0.183 0.000 1.307 801 C CA -0.938 57.997 59.018 -0.137 0.000 2.392 801 C CB 0.271 27.927 27.740 -0.140 0.000 2.245 801 C HN 0.702 nan 8.230 nan 0.000 0.615 802 L N 1.417 122.545 121.223 -0.158 0.000 2.240 802 L HA -0.057 4.284 4.340 0.001 0.000 0.211 802 L C 2.759 179.585 176.870 -0.074 0.000 1.106 802 L CA 1.420 56.166 54.840 -0.157 0.000 0.793 802 L CB -0.384 41.653 42.059 -0.037 0.000 0.927 802 L HN 0.993 nan 8.230 nan 0.000 0.446 803 S N -1.911 113.766 115.700 -0.037 0.000 2.500 803 S HA -0.094 4.377 4.470 0.001 0.000 0.239 803 S C 1.639 176.315 174.600 0.127 0.000 0.989 803 S CA 0.979 59.207 58.200 0.047 0.000 0.951 803 S CB -0.184 63.031 63.200 0.025 0.000 0.759 803 S HN 0.286 nan 8.310 nan 0.000 0.523 804 S N 1.502 117.202 115.700 0.001 0.000 2.540 804 S HA 0.281 4.752 4.470 0.001 0.000 0.218 804 S C 0.727 175.266 174.600 -0.102 0.000 0.977 804 S CA -0.489 57.655 58.200 -0.093 0.000 0.918 804 S CB -0.165 62.925 63.200 -0.183 0.000 0.806 804 S HN 0.690 nan 8.310 nan 0.000 0.496 805 N N 0.554 119.263 118.700 0.015 0.000 2.160 805 N HA 0.351 5.091 4.740 0.001 0.000 0.226 805 N C -0.946 174.757 175.510 0.321 0.000 1.256 805 N CA 0.186 53.260 53.050 0.040 0.000 0.890 805 N CB 1.178 39.307 38.487 -0.596 0.000 1.116 805 N HN 0.208 nan 8.380 nan 0.000 0.517 806 I N 2.155 122.913 120.570 0.314 0.000 2.534 806 I HA 0.297 4.468 4.170 0.001 0.000 0.286 806 I C -2.503 173.550 176.117 -0.108 0.000 1.094 806 I CA -2.092 59.299 61.300 0.152 0.000 1.055 806 I CB 2.597 40.688 38.000 0.151 0.000 1.225 806 I HN -0.258 nan 8.210 nan 0.000 0.435 807 P HA -0.046 nan 4.420 nan 0.000 0.266 807 P C 0.677 177.854 177.300 -0.206 0.000 1.193 807 P CA 0.148 62.904 63.100 -0.573 0.000 0.770 807 P CB 1.013 32.488 31.700 -0.376 0.000 0.836 808 A N 3.216 125.965 122.820 -0.117 0.000 1.903 808 A HA -0.248 4.072 4.320 0.001 0.000 0.219 808 A C 2.106 179.750 177.584 0.100 0.000 1.191 808 A CA 2.163 54.247 52.037 0.078 0.000 0.638 808 A CB -1.657 17.499 19.000 0.259 0.000 0.823 808 A HN 0.567 nan 8.150 nan 0.000 0.451 809 L N -0.199 121.139 121.223 0.192 0.000 2.043 809 L HA -0.215 4.126 4.340 0.001 0.000 0.212 809 L C 2.294 179.202 176.870 0.063 0.000 1.075 809 L CA 2.611 57.487 54.840 0.061 0.000 0.752 809 L CB -0.534 41.615 42.059 0.149 0.000 0.891 809 L HN 0.561 nan 8.230 nan 0.000 0.432 810 E N -0.731 119.479 120.200 0.017 0.000 2.028 810 E HA -0.199 4.152 4.350 0.001 0.000 0.191 810 E C 2.264 178.814 176.600 -0.084 0.000 0.988 810 E CA 1.508 57.901 56.400 -0.011 0.000 0.799 810 E CB -0.263 29.441 29.700 0.005 0.000 0.755 810 E HN 0.494 nan 8.360 nan 0.000 0.447 811 L N 0.539 121.674 121.223 -0.146 0.000 2.083 811 L HA -0.147 4.193 4.340 0.001 0.000 0.209 811 L C 2.695 179.172 176.870 -0.655 0.000 1.083 811 L CA 0.891 55.520 54.840 -0.352 0.000 0.752 811 L CB -0.337 41.528 42.059 -0.325 0.000 0.899 811 L HN 0.273 nan 8.230 nan 0.000 0.433 812 M N -0.213 119.159 119.600 -0.380 0.000 2.296 812 M HA -0.147 4.334 4.480 0.001 0.000 0.265 812 M C 2.225 178.588 176.300 0.105 0.000 1.064 812 M CA 1.595 56.759 55.300 -0.227 0.000 1.109 812 M CB -0.032 32.496 32.600 -0.120 0.000 1.396 812 M HN 0.223 nan 8.290 nan 0.000 0.430 813 A N 0.750 123.581 122.820 0.019 0.000 1.855 813 A HA -0.147 4.174 4.320 0.001 0.000 0.215 813 A C 1.953 179.470 177.584 -0.111 0.000 1.191 813 A CA 1.496 53.378 52.037 -0.258 0.000 0.613 813 A CB -1.078 17.691 19.000 -0.385 0.000 0.829 813 A HN 0.546 nan 8.150 nan 0.000 0.442 814 L N -0.507 120.669 121.223 -0.079 0.000 2.010 814 L HA -0.261 4.079 4.340 0.001 0.000 0.219 814 L C 2.437 179.452 176.870 0.243 0.000 1.077 814 L CA 2.154 57.020 54.840 0.042 0.000 0.773 814 L CB -1.008 41.089 42.059 0.063 0.000 0.892 814 L HN 0.598 nan 8.230 nan 0.000 0.436 815 Y N -2.171 118.211 120.300 0.137 0.000 2.224 815 Y HA -0.223 4.328 4.550 0.001 0.000 0.289 815 Y C 2.419 178.441 175.900 0.202 0.000 1.146 815 Y CA 0.648 58.872 58.100 0.208 0.000 1.182 815 Y CB -0.257 38.430 38.460 0.379 0.000 0.983 815 Y HN 0.079 nan 8.280 nan 0.000 0.524 816 V N -0.178 119.983 119.914 0.412 0.000 2.453 816 V HA -0.264 3.856 4.120 0.001 0.000 0.247 816 V C 2.486 178.667 176.094 0.145 0.000 1.048 816 V CA 1.450 63.956 62.300 0.344 0.000 1.049 816 V CB -0.982 31.099 31.823 0.431 0.000 0.672 816 V HN 0.427 nan 8.190 nan 0.000 0.457 817 A N 0.348 123.202 122.820 0.056 0.000 1.855 817 A HA -0.092 4.229 4.320 0.001 0.000 0.215 817 A C 2.480 180.057 177.584 -0.011 0.000 1.191 817 A CA 2.004 54.039 52.037 -0.002 0.000 0.613 817 A CB -0.947 18.033 19.000 -0.033 0.000 0.829 817 A HN 0.542 nan 8.150 nan 0.000 0.442 818 A N 0.018 122.800 122.820 -0.064 0.000 1.903 818 A HA 0.028 4.348 4.320 0.001 0.000 0.219 818 A C 2.430 179.911 177.584 -0.172 0.000 1.191 818 A CA 2.443 54.319 52.037 -0.270 0.000 0.638 818 A CB -1.106 17.796 19.000 -0.163 0.000 0.823 818 A HN 1.245 nan 8.150 nan 0.000 0.451 819 A N -0.681 122.131 122.820 -0.013 0.000 2.216 819 A HA 0.108 4.428 4.320 0.001 0.000 0.214 819 A C 1.916 179.610 177.584 0.185 0.000 1.160 819 A CA 1.601 53.665 52.037 0.045 0.000 0.725 819 A CB -0.627 18.400 19.000 0.045 0.000 0.784 819 A HN 0.821 nan 8.150 nan 0.000 0.472 820 M N -2.856 116.850 119.600 0.178 0.000 2.260 820 M HA 0.201 4.682 4.480 0.001 0.000 0.326 820 M C 1.399 177.845 176.300 0.244 0.000 0.930 820 M CA 0.345 55.761 55.300 0.193 0.000 1.051 820 M CB -0.337 32.240 32.600 -0.039 0.000 1.748 820 M HN 0.390 nan 8.290 nan 0.000 0.606 821 H N 0.559 119.667 119.070 0.062 0.000 2.518 821 H HA -0.074 4.483 4.556 0.001 0.000 0.294 821 H C -0.065 175.156 175.328 -0.179 0.000 1.083 821 H CA 1.739 57.797 56.048 0.017 0.000 1.264 821 H CB -0.581 29.199 29.762 0.029 0.000 1.370 821 H HN 0.436 nan 8.280 nan 0.000 0.560 822 D N -0.565 119.645 120.400 -0.318 0.000 2.563 822 D HA -0.003 4.638 4.640 0.001 0.000 0.237 822 D C -0.419 175.429 176.300 -0.754 0.000 1.282 822 D CA -0.574 52.924 54.000 -0.836 0.000 0.816 822 D CB -0.476 40.181 40.800 -0.238 0.000 1.066 822 D HN 0.243 nan 8.370 nan 0.000 0.501 823 Y N 2.466 122.331 120.300 -0.724 0.000 2.969 823 Y HA -0.097 4.454 4.550 0.001 0.000 0.339 823 Y C 0.908 176.609 175.900 -0.332 0.000 1.272 823 Y CA 0.418 58.033 58.100 -0.809 0.000 1.577 823 Y CB 0.275 38.521 38.460 -0.357 0.000 1.234 823 Y HN 0.046 nan 8.280 nan 0.000 0.590 824 D N 2.639 122.419 120.400 -1.032 0.000 2.751 824 D HA -0.316 4.324 4.640 0.001 0.000 0.233 824 D C -0.654 175.639 176.300 -0.013 0.000 1.149 824 D CA 0.955 54.655 54.000 -0.501 0.000 0.682 824 D CB -1.525 38.974 40.800 -0.502 0.000 1.068 824 D HN 0.698 nan 8.370 nan 0.000 0.429 825 H N -0.166 118.874 119.070 -0.049 0.000 2.886 825 H HA 0.149 4.706 4.556 0.001 0.000 0.329 825 H C -1.493 173.875 175.328 0.066 0.000 1.044 825 H CA -0.671 55.454 56.048 0.127 0.000 1.456 825 H CB 1.331 31.122 29.762 0.050 0.000 1.464 825 H HN 0.152 nan 8.280 nan 0.000 0.573 826 P HA 0.084 nan 4.420 nan 0.000 0.245 826 P C 0.528 177.975 177.300 0.245 0.000 1.206 826 P CA 1.081 64.296 63.100 0.192 0.000 0.781 826 P CB 0.531 32.279 31.700 0.079 0.000 0.994 827 G N 0.068 109.164 108.800 0.493 0.000 2.137 827 G HA2 -0.183 3.778 3.960 0.001 0.000 0.237 827 G HA3 -0.183 3.778 3.960 0.001 0.000 0.237 827 G C 0.068 175.075 174.900 0.178 0.000 1.002 827 G CA -0.348 44.904 45.100 0.254 0.000 0.702 827 G HN 0.296 nan 8.290 nan 0.000 0.515 828 R N -0.305 120.329 120.500 0.222 0.000 2.888 828 R HA 0.764 5.104 4.340 0.001 0.000 0.266 828 R C 0.672 177.064 176.300 0.154 0.000 1.020 828 R CA 0.095 56.212 56.100 0.029 0.000 0.963 828 R CB 0.742 30.990 30.300 -0.087 0.000 1.197 828 R HN 0.450 nan 8.270 nan 0.000 0.481 829 T N -1.695 112.930 114.554 0.119 0.000 2.862 829 T HA 0.226 4.577 4.350 0.001 0.000 0.276 829 T C 1.062 175.841 174.700 0.131 0.000 0.974 829 T CA -0.660 61.518 62.100 0.130 0.000 0.966 829 T CB 0.935 69.854 68.868 0.086 0.000 1.072 829 T HN 0.259 nan 8.240 nan 0.000 0.538 830 N N 0.559 119.307 118.700 0.081 0.000 2.106 830 N HA -0.063 4.678 4.740 0.001 0.000 0.188 830 N C 2.335 177.885 175.510 0.068 0.000 1.029 830 N CA 1.540 54.620 53.050 0.050 0.000 0.848 830 N CB -1.114 37.393 38.487 0.033 0.000 1.007 830 N HN 0.816 nan 8.380 nan 0.000 0.423 831 A N 0.910 123.776 122.820 0.076 0.000 1.903 831 A HA -0.217 4.104 4.320 0.001 0.000 0.219 831 A C 2.164 179.791 177.584 0.071 0.000 1.191 831 A CA 1.434 53.508 52.037 0.062 0.000 0.638 831 A CB -1.119 17.916 19.000 0.059 0.000 0.823 831 A HN 0.345 nan 8.150 nan 0.000 0.451 832 F N 0.437 120.376 119.950 -0.019 0.000 2.051 832 F HA -0.156 4.372 4.527 0.001 0.000 0.296 832 F C 2.001 177.792 175.800 -0.016 0.000 1.122 832 F CA 1.929 59.918 58.000 -0.019 0.000 1.201 832 F CB -0.458 38.534 39.000 -0.014 0.000 0.978 832 F HN 0.153 nan 8.300 nan 0.000 0.472 833 L N -0.431 120.846 121.223 0.090 0.000 2.051 833 L HA -0.293 4.048 4.340 0.001 0.000 0.214 833 L C 2.336 179.138 176.870 -0.113 0.000 1.076 833 L CA 1.391 56.217 54.840 -0.023 0.000 0.758 833 L CB -0.962 41.123 42.059 0.043 0.000 0.890 833 L HN 0.112 nan 8.230 nan 0.000 0.433 834 V N -0.256 119.614 119.914 -0.073 0.000 2.255 834 V HA -0.250 3.871 4.120 0.001 0.000 0.243 834 V C 2.748 178.772 176.094 -0.116 0.000 1.038 834 V CA 1.693 63.953 62.300 -0.067 0.000 1.008 834 V CB -0.921 30.886 31.823 -0.027 0.000 0.645 834 V HN 0.481 nan 8.190 nan 0.000 0.449 835 A N 0.831 123.565 122.820 -0.143 0.000 1.958 835 A HA -0.284 4.037 4.320 0.001 0.000 0.221 835 A C 2.225 179.677 177.584 -0.220 0.000 1.178 835 A CA 2.745 54.683 52.037 -0.165 0.000 0.642 835 A CB -1.029 17.870 19.000 -0.168 0.000 0.816 835 A HN 0.673 nan 8.150 nan 0.000 0.453 836 T N -3.640 110.710 114.554 -0.340 0.000 3.144 836 T HA 0.131 4.482 4.350 0.001 0.000 0.249 836 T C 0.512 175.101 174.700 -0.184 0.000 1.089 836 T CA 0.250 62.161 62.100 -0.314 0.000 0.989 836 T CB -0.388 68.174 68.868 -0.510 0.000 0.992 836 T HN 0.460 nan 8.240 nan 0.000 0.540 837 N N 1.501 120.117 118.700 -0.140 0.000 2.710 837 N HA -0.153 4.587 4.740 0.001 0.000 0.249 837 N C 0.290 175.754 175.510 -0.076 0.000 1.059 837 N CA 0.804 53.802 53.050 -0.086 0.000 0.720 837 N CB -1.540 36.908 38.487 -0.066 0.000 0.983 837 N HN 0.895 nan 8.380 nan 0.000 0.544 838 A N 0.740 123.506 122.820 -0.091 0.000 2.520 838 A HA 0.211 4.532 4.320 0.001 0.000 0.235 838 A C -0.144 177.417 177.584 -0.038 0.000 1.065 838 A CA -0.480 51.521 52.037 -0.059 0.000 0.764 838 A CB 0.301 19.273 19.000 -0.047 0.000 1.002 838 A HN 0.094 nan 8.150 nan 0.000 0.502 839 P HA -0.256 nan 4.420 nan 0.000 0.215 839 P C 1.053 178.340 177.300 -0.023 0.000 1.163 839 P CA 1.808 64.891 63.100 -0.029 0.000 0.894 839 P CB -0.046 31.638 31.700 -0.026 0.000 0.791 840 Q N -0.563 119.227 119.800 -0.016 0.000 2.234 840 Q HA -0.122 4.218 4.340 0.001 0.000 0.206 840 Q C 2.280 178.359 176.000 0.132 0.000 0.980 840 Q CA 1.639 57.472 55.803 0.050 0.000 0.869 840 Q CB -0.574 28.140 28.738 -0.040 0.000 0.912 840 Q HN 0.276 nan 8.270 nan 0.000 0.436 841 A N 0.038 122.887 122.820 0.048 0.000 1.970 841 A HA -0.045 4.276 4.320 0.001 0.000 0.216 841 A C 2.253 179.864 177.584 0.044 0.000 1.170 841 A CA 0.704 52.774 52.037 0.055 0.000 0.645 841 A CB -0.189 18.812 19.000 0.001 0.000 0.816 841 A HN 0.180 nan 8.150 nan 0.000 0.447 842 V N -0.211 119.705 119.914 0.003 0.000 2.283 842 V HA -0.193 3.928 4.120 0.001 0.000 0.243 842 V C 2.417 178.485 176.094 -0.045 0.000 1.039 842 V CA 1.711 64.000 62.300 -0.017 0.000 1.016 842 V CB -0.883 30.921 31.823 -0.031 0.000 0.650 842 V HN 0.542 nan 8.190 nan 0.000 0.449 843 L N -0.344 120.824 121.223 -0.092 0.000 2.064 843 L HA -0.247 4.094 4.340 0.001 0.000 0.216 843 L C 1.961 178.607 176.870 -0.373 0.000 1.077 843 L CA 2.235 56.925 54.840 -0.251 0.000 0.766 843 L CB -0.565 41.288 42.059 -0.344 0.000 0.890 843 L HN 0.454 nan 8.230 nan 0.000 0.435 844 Y N -0.357 119.942 120.300 -0.002 0.000 2.524 844 Y HA 0.203 4.754 4.550 0.001 0.000 0.266 844 Y C 0.900 176.803 175.900 0.005 0.000 1.180 844 Y CA -0.282 57.822 58.100 0.006 0.000 1.244 844 Y CB -0.074 38.389 38.460 0.004 0.000 1.125 844 Y HN 0.233 nan 8.280 nan 0.000 0.524 845 N N 1.109 119.863 118.700 0.089 0.000 2.735 845 N HA -0.248 4.493 4.740 0.001 0.000 0.248 845 N C -0.751 174.801 175.510 0.071 0.000 1.083 845 N CA 1.429 54.516 53.050 0.062 0.000 0.703 845 N CB -1.276 37.243 38.487 0.053 0.000 1.005 845 N HN 0.546 nan 8.380 nan 0.000 0.550 846 D N -2.353 118.094 120.400 0.079 0.000 3.039 846 D HA -0.225 4.415 4.640 0.001 0.000 0.222 846 D C 0.111 176.446 176.300 0.057 0.000 1.179 846 D CA 1.161 55.195 54.000 0.057 0.000 0.880 846 D CB -1.043 39.776 40.800 0.031 0.000 1.115 846 D HN 0.630 nan 8.370 nan 0.000 0.416 847 R N 0.130 120.679 120.500 0.080 0.000 2.294 847 R HA 0.441 4.782 4.340 0.001 0.000 0.319 847 R C 0.691 177.007 176.300 0.026 0.000 0.984 847 R CA -0.501 55.636 56.100 0.062 0.000 0.861 847 R CB 1.122 31.469 30.300 0.078 0.000 1.104 847 R HN -0.131 nan 8.270 nan 0.000 0.451 848 S N 1.222 116.929 115.700 0.012 0.000 3.294 848 S HA -0.158 4.312 4.470 0.001 0.000 0.361 848 S C 1.643 176.153 174.600 -0.149 0.000 0.935 848 S CA 0.384 58.565 58.200 -0.032 0.000 1.263 848 S CB -1.361 61.834 63.200 -0.009 0.000 0.891 848 S HN 0.532 nan 8.310 nan 0.000 0.487 849 V N 0.747 120.584 119.914 -0.130 0.000 2.220 849 V HA -0.311 3.810 4.120 0.001 0.000 0.250 849 V C 2.303 178.171 176.094 -0.377 0.000 1.056 849 V CA 2.584 64.752 62.300 -0.219 0.000 1.016 849 V CB -0.649 31.132 31.823 -0.071 0.000 0.639 849 V HN 0.676 nan 8.190 nan 0.000 0.446 850 L N -0.632 120.403 121.223 -0.314 0.000 1.989 850 L HA -0.231 4.110 4.340 0.001 0.000 0.211 850 L C 2.709 179.154 176.870 -0.707 0.000 1.071 850 L CA 1.842 56.370 54.840 -0.520 0.000 0.749 850 L CB -0.624 41.193 42.059 -0.404 0.000 0.890 850 L HN 0.352 nan 8.230 nan 0.000 0.431 851 E N 0.018 120.041 120.200 -0.295 0.000 2.038 851 E HA -0.195 4.156 4.350 0.001 0.000 0.195 851 E C 1.986 178.490 176.600 -0.160 0.000 1.000 851 E CA 1.102 57.456 56.400 -0.078 0.000 0.803 851 E CB -0.320 29.392 29.700 0.020 0.000 0.750 851 E HN 0.330 nan 8.360 nan 0.000 0.448 852 N N 0.003 118.521 118.700 -0.302 0.000 2.094 852 N HA -0.215 4.526 4.740 0.001 0.000 0.191 852 N C 1.830 177.154 175.510 -0.310 0.000 1.023 852 N CA 1.504 54.327 53.050 -0.378 0.000 0.857 852 N CB -0.426 37.556 38.487 -0.841 0.000 1.013 852 N HN 0.292 nan 8.380 nan 0.000 0.426 853 H N 0.626 119.375 119.070 -0.536 0.000 2.321 853 H HA -0.055 4.502 4.556 0.001 0.000 0.300 853 H C 1.873 177.169 175.328 -0.054 0.000 1.087 853 H CA 1.782 57.689 56.048 -0.235 0.000 1.319 853 H CB -0.135 29.447 29.762 -0.301 0.000 1.379 853 H HN 0.303 nan 8.280 nan 0.000 0.501 854 H N -0.161 118.865 119.070 -0.073 0.000 2.267 854 H HA -0.081 4.476 4.556 0.001 0.000 0.297 854 H C 2.409 177.713 175.328 -0.040 0.000 1.080 854 H CA 1.549 57.564 56.048 -0.054 0.000 1.278 854 H CB -1.075 28.682 29.762 -0.008 0.000 1.365 854 H HN 0.538 nan 8.280 nan 0.000 0.489 855 A N 1.150 124.044 122.820 0.122 0.000 1.883 855 A HA -0.117 4.203 4.320 0.001 0.000 0.217 855 A C 2.666 180.365 177.584 0.192 0.000 1.186 855 A CA 2.273 54.381 52.037 0.119 0.000 0.624 855 A CB -0.932 18.161 19.000 0.154 0.000 0.822 855 A HN 0.472 nan 8.150 nan 0.000 0.444 856 A N -1.615 121.305 122.820 0.167 0.000 2.014 856 A HA 0.061 4.381 4.320 0.001 0.000 0.218 856 A C 2.366 180.048 177.584 0.163 0.000 1.163 856 A CA 1.766 53.938 52.037 0.224 0.000 0.652 856 A CB -0.576 18.575 19.000 0.251 0.000 0.808 856 A HN 0.458 nan 8.150 nan 0.000 0.449 857 S N -0.828 114.890 115.700 0.031 0.000 2.414 857 S HA 0.144 4.615 4.470 0.001 0.000 0.227 857 S C 2.143 176.715 174.600 -0.046 0.000 1.022 857 S CA 1.076 59.285 58.200 0.016 0.000 0.958 857 S CB -0.264 62.853 63.200 -0.139 0.000 0.797 857 S HN 0.710 nan 8.310 nan 0.000 0.493 858 A N 0.199 122.880 122.820 -0.232 0.000 1.854 858 A HA -0.015 4.306 4.320 0.001 0.000 0.214 858 A C 1.827 179.332 177.584 -0.132 0.000 1.192 858 A CA 1.059 52.811 52.037 -0.476 0.000 0.611 858 A CB -1.166 17.498 19.000 -0.560 0.000 0.832 858 A HN 0.734 nan 8.150 nan 0.000 0.442 859 W N 0.255 121.566 121.300 0.018 0.000 2.338 859 W HA -0.218 4.442 4.660 0.001 0.000 0.304 859 W C 2.293 178.890 176.519 0.130 0.000 1.212 859 W CA 1.404 58.791 57.345 0.071 0.000 1.264 859 W CB -0.311 29.172 29.460 0.039 0.000 1.142 859 W HN 0.612 nan 8.180 nan 0.000 0.512 860 N N 0.594 119.493 118.700 0.333 0.000 2.104 860 N HA -0.237 4.503 4.740 0.001 0.000 0.190 860 N C 1.713 177.362 175.510 0.231 0.000 1.024 860 N CA 1.828 55.025 53.050 0.246 0.000 0.853 860 N CB -0.443 38.157 38.487 0.189 0.000 1.008 860 N HN 0.044 nan 8.380 nan 0.000 0.424 861 L N -0.268 121.078 121.223 0.205 0.000 2.027 861 L HA -0.083 4.257 4.340 0.001 0.000 0.206 861 L C 2.059 179.133 176.870 0.341 0.000 1.074 861 L CA 1.618 56.602 54.840 0.240 0.000 0.745 861 L CB -1.260 40.865 42.059 0.111 0.000 0.898 861 L HN 0.341 nan 8.230 nan 0.000 0.433 862 Y N -0.144 120.223 120.300 0.113 0.000 2.256 862 Y HA -0.190 4.361 4.550 0.001 0.000 0.288 862 Y C 1.734 177.673 175.900 0.064 0.000 1.155 862 Y CA 1.847 59.822 58.100 -0.209 0.000 1.203 862 Y CB -0.129 38.051 38.460 -0.466 0.000 0.980 862 Y HN 0.238 nan 8.280 nan 0.000 0.530 863 L N 0.033 121.414 121.223 0.262 0.000 2.653 863 L HA 0.084 4.425 4.340 0.001 0.000 0.231 863 L C 2.004 178.918 176.870 0.075 0.000 1.153 863 L CA 0.588 55.518 54.840 0.150 0.000 0.933 863 L CB -0.206 41.999 42.059 0.243 0.000 1.175 863 L HN 0.232 nan 8.230 nan 0.000 0.473 864 S N -0.937 114.827 115.700 0.107 0.000 2.503 864 S HA 0.192 4.663 4.470 0.001 0.000 0.217 864 S C 0.866 175.437 174.600 -0.048 0.000 0.999 864 S CA -0.282 57.959 58.200 0.069 0.000 0.914 864 S CB 0.257 63.542 63.200 0.141 0.000 0.782 864 S HN 0.352 nan 8.310 nan 0.000 0.520 865 R N 0.430 120.838 120.500 -0.155 0.000 2.740 865 R HA 0.400 4.741 4.340 0.001 0.000 0.273 865 R C -2.471 173.638 176.300 -0.318 0.000 0.998 865 R CA -1.897 54.005 56.100 -0.330 0.000 0.900 865 R CB 1.341 31.225 30.300 -0.693 0.000 1.223 865 R HN -0.039 nan 8.270 nan 0.000 0.466 866 P HA -0.156 nan 4.420 nan 0.000 0.218 866 P C 0.477 177.680 177.300 -0.161 0.000 1.152 866 P CA 1.219 64.211 63.100 -0.181 0.000 0.826 866 P CB 0.291 31.918 31.700 -0.121 0.000 0.790 867 E N -0.474 119.610 120.200 -0.195 0.000 2.515 867 E HA -0.159 4.192 4.350 0.001 0.000 0.201 867 E C 1.127 177.783 176.600 0.093 0.000 1.071 867 E CA 0.696 57.052 56.400 -0.074 0.000 0.880 867 E CB -0.945 28.706 29.700 -0.083 0.000 0.828 867 E HN 0.508 nan 8.360 nan 0.000 0.540 868 Y N 0.236 120.485 120.300 -0.084 0.000 2.458 868 Y HA 0.132 4.683 4.550 0.001 0.000 0.254 868 Y C 1.129 176.881 175.900 -0.245 0.000 1.120 868 Y CA -0.780 57.257 58.100 -0.105 0.000 1.282 868 Y CB 0.505 38.829 38.460 -0.227 0.000 1.109 868 Y HN -0.032 nan 8.280 nan 0.000 0.526 869 N N 1.646 120.250 118.700 -0.161 0.000 2.402 869 N HA -0.028 4.713 4.740 0.001 0.000 0.259 869 N C -0.444 175.101 175.510 0.058 0.000 1.167 869 N CA 0.164 53.067 53.050 -0.245 0.000 0.949 869 N CB -0.036 38.321 38.487 -0.216 0.000 1.212 869 N HN 0.319 nan 8.380 nan 0.000 0.493 870 F N 2.156 122.201 119.950 0.159 0.000 2.698 870 F HA 0.410 4.938 4.527 0.001 0.000 0.304 870 F C 0.164 176.083 175.800 0.199 0.000 1.108 870 F CA -0.511 57.610 58.000 0.202 0.000 1.263 870 F CB 0.077 39.287 39.000 0.351 0.000 1.013 870 F HN 0.171 nan 8.300 nan 0.000 0.532 871 L N 1.235 122.353 121.223 -0.174 0.000 3.014 871 L HA 0.188 4.529 4.340 0.001 0.000 0.263 871 L C 1.397 178.269 176.870 0.005 0.000 1.207 871 L CA -0.278 54.500 54.840 -0.104 0.000 1.017 871 L CB 0.352 42.337 42.059 -0.122 0.000 1.360 871 L HN 0.174 nan 8.230 nan 0.000 0.560 872 L N -2.162 119.038 121.223 -0.038 0.000 2.042 872 L HA -0.179 4.162 4.340 0.001 0.000 0.210 872 L C 1.586 178.553 176.870 0.161 0.000 1.076 872 L CA 1.667 56.514 54.840 0.012 0.000 0.749 872 L CB -1.735 40.334 42.059 0.018 0.000 0.893 872 L HN 0.255 nan 8.230 nan 0.000 0.432 873 H N -0.066 119.071 119.070 0.112 0.000 2.933 873 H HA 0.403 4.959 4.556 0.001 0.000 0.306 873 H C -0.579 174.834 175.328 0.142 0.000 1.142 873 H CA -0.660 55.457 56.048 0.116 0.000 1.193 873 H CB -0.264 29.572 29.762 0.123 0.000 1.330 873 H HN 0.146 nan 8.280 nan 0.000 0.585 874 L N 2.271 123.635 121.223 0.235 0.000 2.365 874 L HA 0.157 4.497 4.340 0.001 0.000 0.273 874 L C -0.215 176.780 176.870 0.207 0.000 1.000 874 L CA -0.900 54.072 54.840 0.220 0.000 0.819 874 L CB 1.679 43.859 42.059 0.201 0.000 1.284 874 L HN 0.262 nan 8.230 nan 0.000 0.418 875 D N 0.982 121.493 120.400 0.186 0.000 2.341 875 D HA 0.054 4.695 4.640 0.001 0.000 0.245 875 D C 0.846 177.312 176.300 0.277 0.000 1.106 875 D CA -0.277 53.829 54.000 0.177 0.000 0.905 875 D CB 0.724 41.575 40.800 0.086 0.000 1.202 875 D HN 0.623 nan 8.370 nan 0.000 0.426 876 H N 0.076 119.193 119.070 0.078 0.000 2.394 876 H HA -0.129 4.427 4.556 0.001 0.000 0.297 876 H C 1.894 177.297 175.328 0.125 0.000 1.113 876 H CA 0.883 56.994 56.048 0.104 0.000 1.277 876 H CB 0.193 29.985 29.762 0.051 0.000 1.370 876 H HN 0.191 nan 8.280 nan 0.000 0.506 877 V N 0.989 121.027 119.914 0.206 0.000 2.490 877 V HA -0.210 3.911 4.120 0.001 0.000 0.250 877 V C 2.149 178.322 176.094 0.133 0.000 1.061 877 V CA 1.676 64.054 62.300 0.129 0.000 1.064 877 V CB -0.316 31.556 31.823 0.081 0.000 0.670 877 V HN 0.453 nan 8.190 nan 0.000 0.461 878 E N -0.804 119.495 120.200 0.165 0.000 2.042 878 E HA -0.127 4.224 4.350 0.001 0.000 0.189 878 E C 2.035 178.739 176.600 0.174 0.000 0.974 878 E CA 1.050 57.546 56.400 0.160 0.000 0.806 878 E CB -0.154 29.648 29.700 0.171 0.000 0.769 878 E HN 0.561 nan 8.360 nan 0.000 0.451 879 F N 2.182 122.171 119.950 0.065 0.000 2.069 879 F HA -0.254 4.274 4.527 0.001 0.000 0.298 879 F C 2.293 178.125 175.800 0.052 0.000 1.113 879 F CA 1.609 59.630 58.000 0.035 0.000 1.214 879 F CB 0.035 39.016 39.000 -0.032 0.000 0.978 879 F HN -0.153 nan 8.300 nan 0.000 0.474 880 K N 0.727 121.250 120.400 0.206 0.000 2.063 880 K HA -0.214 4.106 4.320 0.001 0.000 0.208 880 K C 2.319 178.903 176.600 -0.026 0.000 1.048 880 K CA 1.629 57.952 56.287 0.060 0.000 0.928 880 K CB -0.539 32.023 32.500 0.102 0.000 0.713 880 K HN 0.258 nan 8.250 nan 0.000 0.442 881 R N -1.023 119.497 120.500 0.033 0.000 2.148 881 R HA -0.117 4.224 4.340 0.001 0.000 0.227 881 R C 2.038 178.395 176.300 0.096 0.000 1.103 881 R CA 1.099 57.234 56.100 0.058 0.000 0.983 881 R CB -0.280 30.062 30.300 0.070 0.000 0.874 881 R HN 0.225 nan 8.270 nan 0.000 0.451 882 F N 1.322 121.177 119.950 -0.158 0.000 2.074 882 F HA -0.077 4.450 4.527 0.001 0.000 0.293 882 F C 2.567 178.234 175.800 -0.222 0.000 1.116 882 F CA 1.757 59.631 58.000 -0.211 0.000 1.212 882 F CB -0.368 38.417 39.000 -0.358 0.000 0.998 882 F HN -0.117 nan 8.300 nan 0.000 0.471 883 R N -0.580 119.648 120.500 -0.454 0.000 2.139 883 R HA -0.260 4.081 4.340 0.001 0.000 0.243 883 R C 2.234 178.343 176.300 -0.320 0.000 1.145 883 R CA 2.044 57.716 56.100 -0.713 0.000 0.976 883 R CB -0.889 28.683 30.300 -1.213 0.000 0.866 883 R HN 0.437 nan 8.270 nan 0.000 0.449 884 F N 0.116 119.883 119.950 -0.304 0.000 2.187 884 F HA -0.025 4.503 4.527 0.001 0.000 0.295 884 F C 1.494 177.217 175.800 -0.129 0.000 1.091 884 F CA 0.776 58.674 58.000 -0.171 0.000 1.308 884 F CB -0.172 38.758 39.000 -0.118 0.000 1.030 884 F HN -0.013 nan 8.300 nan 0.000 0.487 885 L N 0.117 121.276 121.223 -0.108 0.000 2.083 885 L HA -0.162 4.179 4.340 0.001 0.000 0.209 885 L C 2.436 179.128 176.870 -0.296 0.000 1.083 885 L CA 1.185 55.892 54.840 -0.221 0.000 0.752 885 L CB -1.140 40.831 42.059 -0.147 0.000 0.899 885 L HN 0.064 nan 8.230 nan 0.000 0.433 886 V N -0.768 118.961 119.914 -0.309 0.000 2.594 886 V HA -0.260 3.861 4.120 0.001 0.000 0.253 886 V C 2.270 178.324 176.094 -0.066 0.000 1.069 886 V CA 1.522 63.709 62.300 -0.187 0.000 1.082 886 V CB -0.228 31.572 31.823 -0.038 0.000 0.680 886 V HN 0.334 nan 8.190 nan 0.000 0.469 887 I N -0.797 119.713 120.570 -0.101 0.000 2.277 887 I HA -0.097 4.073 4.170 0.001 0.000 0.243 887 I C 2.467 178.482 176.117 -0.170 0.000 1.094 887 I CA 0.937 62.186 61.300 -0.085 0.000 1.393 887 I CB -0.339 37.598 38.000 -0.104 0.000 1.078 887 I HN 0.220 nan 8.210 nan 0.000 0.417 888 E N 1.028 121.015 120.200 -0.355 0.000 2.331 888 E HA -0.198 4.153 4.350 0.001 0.000 0.199 888 E C 2.060 178.570 176.600 -0.149 0.000 1.008 888 E CA 1.231 57.462 56.400 -0.283 0.000 0.843 888 E CB -0.078 29.365 29.700 -0.429 0.000 0.761 888 E HN 0.523 nan 8.360 nan 0.000 0.507 889 A N 1.041 123.776 122.820 -0.141 0.000 1.850 889 A HA -0.024 4.296 4.320 0.001 0.000 0.212 889 A C 2.273 179.822 177.584 -0.059 0.000 1.208 889 A CA 0.427 52.402 52.037 -0.104 0.000 0.609 889 A CB -0.529 18.417 19.000 -0.090 0.000 0.860 889 A HN 0.097 nan 8.150 nan 0.000 0.448 890 I N 0.044 120.608 120.570 -0.010 0.000 2.091 890 I HA -0.300 3.871 4.170 0.001 0.000 0.239 890 I C 2.262 178.416 176.117 0.061 0.000 1.061 890 I CA 1.505 62.843 61.300 0.065 0.000 1.317 890 I CB -0.438 37.615 38.000 0.087 0.000 1.031 890 I HN 0.263 nan 8.210 nan 0.000 0.401 891 L N 0.475 121.718 121.223 0.033 0.000 2.450 891 L HA -0.164 4.176 4.340 0.001 0.000 0.224 891 L C 2.516 179.423 176.870 0.061 0.000 1.149 891 L CA 0.714 55.585 54.840 0.052 0.000 0.816 891 L CB -0.516 41.572 42.059 0.049 0.000 0.932 891 L HN 0.266 nan 8.230 nan 0.000 0.449 892 A N -0.550 122.242 122.820 -0.047 0.000 2.123 892 A HA -0.095 4.225 4.320 0.001 0.000 0.214 892 A C 2.222 179.686 177.584 -0.200 0.000 1.152 892 A CA 1.308 53.168 52.037 -0.295 0.000 0.728 892 A CB -0.573 18.065 19.000 -0.604 0.000 0.814 892 A HN 0.458 nan 8.150 nan 0.000 0.464 893 T N -2.103 112.436 114.554 -0.026 0.000 3.160 893 T HA 0.001 4.352 4.350 0.001 0.000 0.257 893 T C 0.391 175.160 174.700 0.117 0.000 1.147 893 T CA 0.395 62.534 62.100 0.066 0.000 1.064 893 T CB -0.370 68.602 68.868 0.173 0.000 0.949 893 T HN 0.315 nan 8.240 nan 0.000 0.526 894 D N 1.404 121.875 120.400 0.118 0.000 2.352 894 D HA 0.114 4.755 4.640 0.001 0.000 0.245 894 D C 1.147 177.560 176.300 0.188 0.000 1.224 894 D CA -0.405 53.682 54.000 0.145 0.000 0.879 894 D CB 0.555 41.435 40.800 0.135 0.000 1.057 894 D HN 0.257 nan 8.370 nan 0.000 0.491 895 L N 3.676 125.014 121.223 0.191 0.000 2.353 895 L HA -0.146 4.195 4.340 0.001 0.000 0.220 895 L C 2.378 179.402 176.870 0.258 0.000 1.133 895 L CA 0.702 55.676 54.840 0.224 0.000 0.798 895 L CB -0.255 41.921 42.059 0.194 0.000 0.922 895 L HN 0.400 nan 8.230 nan 0.000 0.445 896 K N 1.007 121.538 120.400 0.218 0.000 2.211 896 K HA -0.171 4.150 4.320 0.001 0.000 0.204 896 K C 1.641 178.390 176.600 0.248 0.000 1.047 896 K CA 1.309 57.723 56.287 0.212 0.000 0.935 896 K CB 0.164 32.754 32.500 0.150 0.000 0.728 896 K HN 0.268 nan 8.250 nan 0.000 0.452 897 K N -1.265 119.301 120.400 0.276 0.000 2.358 897 K HA -0.029 4.292 4.320 0.001 0.000 0.197 897 K C 1.286 178.110 176.600 0.373 0.000 1.025 897 K CA 0.222 56.682 56.287 0.287 0.000 1.104 897 K CB 0.110 32.810 32.500 0.333 0.000 0.855 897 K HN 0.254 nan 8.250 nan 0.000 0.531 898 H N 0.802 120.023 119.070 0.252 0.000 2.325 898 H HA -0.199 4.358 4.556 0.001 0.000 0.293 898 H C 1.334 176.674 175.328 0.019 0.000 1.106 898 H CA 2.133 58.237 56.048 0.094 0.000 1.247 898 H CB -0.138 29.545 29.762 -0.130 0.000 1.359 898 H HN 0.149 nan 8.280 nan 0.000 0.488 899 F N 0.294 120.307 119.950 0.105 0.000 2.407 899 F HA -0.068 4.460 4.527 0.001 0.000 0.299 899 F C 2.239 178.032 175.800 -0.011 0.000 1.097 899 F CA 0.921 58.945 58.000 0.039 0.000 1.422 899 F CB 0.014 39.090 39.000 0.126 0.000 1.067 899 F HN 0.253 nan 8.300 nan 0.000 0.539 900 D N -0.104 120.378 120.400 0.137 0.000 2.103 900 D HA -0.142 4.499 4.640 0.001 0.000 0.199 900 D C 2.255 178.498 176.300 -0.094 0.000 0.978 900 D CA 1.330 55.315 54.000 -0.024 0.000 0.829 900 D CB -0.606 40.107 40.800 -0.144 0.000 0.981 900 D HN 0.195 nan 8.370 nan 0.000 0.464 901 F N 0.765 120.699 119.950 -0.028 0.000 2.069 901 F HA -0.185 4.342 4.527 0.001 0.000 0.298 901 F C 2.395 178.175 175.800 -0.033 0.000 1.113 901 F CA 0.531 58.508 58.000 -0.038 0.000 1.214 901 F CB -0.466 38.485 39.000 -0.082 0.000 0.978 901 F HN -0.055 nan 8.300 nan 0.000 0.474 902 L N 0.344 121.588 121.223 0.036 0.000 2.079 902 L HA -0.193 4.148 4.340 0.001 0.000 0.210 902 L C 2.341 179.281 176.870 0.117 0.000 1.081 902 L CA 1.936 56.781 54.840 0.009 0.000 0.752 902 L CB -1.038 40.911 42.059 -0.184 0.000 0.896 902 L HN 0.093 nan 8.230 nan 0.000 0.433 903 A N -1.462 121.412 122.820 0.090 0.000 1.969 903 A HA -0.115 4.205 4.320 0.001 0.000 0.218 903 A C 2.132 179.757 177.584 0.069 0.000 1.169 903 A CA 1.231 53.319 52.037 0.084 0.000 0.635 903 A CB -0.386 18.656 19.000 0.070 0.000 0.810 903 A HN 0.496 nan 8.150 nan 0.000 0.445 904 E N -0.657 119.588 120.200 0.074 0.000 1.999 904 E HA -0.154 4.197 4.350 0.001 0.000 0.194 904 E C 1.782 178.441 176.600 0.098 0.000 0.995 904 E CA 1.157 57.594 56.400 0.062 0.000 0.825 904 E CB -0.785 28.954 29.700 0.064 0.000 0.777 904 E HN 0.566 nan 8.360 nan 0.000 0.459 905 F N 3.017 122.988 119.950 0.035 0.000 2.063 905 F HA -0.343 4.185 4.527 0.001 0.000 0.297 905 F C 1.967 177.766 175.800 -0.002 0.000 1.099 905 F CA 2.032 60.046 58.000 0.024 0.000 1.220 905 F CB -0.372 38.661 39.000 0.055 0.000 0.972 905 F HN 0.028 nan 8.300 nan 0.000 0.487 906 N N 0.681 119.487 118.700 0.177 0.000 2.104 906 N HA -0.197 4.544 4.740 0.001 0.000 0.190 906 N C 2.038 177.501 175.510 -0.078 0.000 1.024 906 N CA 1.509 54.583 53.050 0.041 0.000 0.853 906 N CB -0.926 37.635 38.487 0.124 0.000 1.008 906 N HN 0.487 nan 8.380 nan 0.000 0.424 907 A N 2.124 124.916 122.820 -0.047 0.000 1.892 907 A HA -0.193 4.127 4.320 0.001 0.000 0.218 907 A C 2.188 179.697 177.584 -0.125 0.000 1.188 907 A CA 1.366 53.364 52.037 -0.064 0.000 0.631 907 A CB -0.255 18.721 19.000 -0.040 0.000 0.822 907 A HN 0.149 nan 8.150 nan 0.000 0.447 908 K N -0.629 119.659 120.400 -0.186 0.000 1.984 908 K HA 0.054 4.374 4.320 0.001 0.000 0.219 908 K C 2.367 178.772 176.600 -0.325 0.000 1.033 908 K CA 0.993 57.133 56.287 -0.245 0.000 0.983 908 K CB -1.255 31.074 32.500 -0.286 0.000 0.762 908 K HN 0.375 nan 8.250 nan 0.000 0.445 909 A N 2.610 125.097 122.820 -0.555 0.000 1.901 909 A HA -0.253 4.068 4.320 0.001 0.000 0.227 909 A C 0.771 178.166 177.584 -0.315 0.000 1.551 909 A CA 2.518 54.203 52.037 -0.588 0.000 0.769 909 A CB -1.120 17.176 19.000 -1.173 0.000 0.845 909 A HN 0.780 nan 8.150 nan 0.000 0.481 910 N N -1.377 117.175 118.700 -0.248 0.000 2.640 910 N HA 0.510 5.251 4.740 0.001 0.000 0.262 910 N C -1.459 174.010 175.510 -0.068 0.000 1.174 910 N CA -0.453 52.527 53.050 -0.116 0.000 0.791 910 N CB 1.525 39.974 38.487 -0.063 0.000 1.279 910 N HN 0.360 nan 8.380 nan 0.000 0.535 911 D N 0.266 120.626 120.400 -0.067 0.000 3.224 911 D HA 0.344 4.985 4.640 0.001 0.000 0.268 911 D C -0.552 175.730 176.300 -0.030 0.000 1.310 911 D CA -0.388 53.590 54.000 -0.037 0.000 1.035 911 D CB 1.664 42.441 40.800 -0.039 0.000 1.293 911 D HN 0.074 nan 8.370 nan 0.000 0.630 912 V N 2.553 122.454 119.914 -0.022 0.000 2.521 912 V HA 0.151 4.272 4.120 0.001 0.000 0.286 912 V C 0.456 176.534 176.094 -0.026 0.000 1.034 912 V CA 0.178 62.468 62.300 -0.018 0.000 1.045 912 V CB 0.502 32.318 31.823 -0.012 0.000 0.974 912 V HN 0.611 nan 8.190 nan 0.000 0.480 913 N N 2.503 121.188 118.700 -0.024 0.000 2.922 913 N HA -0.317 4.424 4.740 0.001 0.000 0.224 913 N C 1.382 176.868 175.510 -0.040 0.000 0.833 913 N CA 1.481 54.514 53.050 -0.028 0.000 1.103 913 N CB -1.095 37.376 38.487 -0.026 0.000 1.000 913 N HN 0.785 nan 8.380 nan 0.000 0.621 914 S N -0.270 115.399 115.700 -0.051 0.000 4.121 914 S HA -0.409 4.062 4.470 0.001 0.000 0.536 914 S C 0.894 175.442 174.600 -0.086 0.000 1.276 914 S CA 2.683 60.837 58.200 -0.076 0.000 3.653 914 S CB -0.855 62.299 63.200 -0.076 0.000 1.971 914 S HN 0.702 nan 8.310 nan 0.000 0.457 915 N N -0.057 118.599 118.700 -0.073 0.000 2.940 915 N HA -0.137 4.604 4.740 0.001 0.000 0.188 915 N C 0.391 175.847 175.510 -0.089 0.000 1.042 915 N CA 1.619 54.626 53.050 -0.072 0.000 1.014 915 N CB -1.568 36.873 38.487 -0.077 0.000 0.981 915 N HN 1.820 nan 8.380 nan 0.000 0.565 916 G N 1.242 109.971 108.800 -0.117 0.000 2.814 916 G HA2 -0.148 3.812 3.960 0.001 0.000 0.677 916 G HA3 -0.148 3.812 3.960 0.001 0.000 0.677 916 G C -0.476 174.290 174.900 -0.223 0.000 1.429 916 G CA -0.105 44.910 45.100 -0.141 0.000 0.868 916 G HN 0.715 nan 8.290 nan 0.000 0.553 917 I N 0.343 120.727 120.570 -0.309 0.000 2.308 917 I HA 0.434 4.605 4.170 0.001 0.000 0.293 917 I C 0.638 176.366 176.117 -0.648 0.000 1.078 917 I CA -0.866 60.114 61.300 -0.535 0.000 1.292 917 I CB 0.320 37.886 38.000 -0.723 0.000 1.423 917 I HN 0.425 nan 8.210 nan 0.000 0.493 918 E N 6.681 126.615 120.200 -0.444 0.000 1.865 918 E HA -0.016 4.335 4.350 0.001 0.000 0.269 918 E C -0.260 176.168 176.600 -0.288 0.000 1.177 918 E CA 0.035 56.266 56.400 -0.281 0.000 0.932 918 E CB 0.012 29.633 29.700 -0.133 0.000 1.066 918 E HN 0.764 nan 8.360 nan 0.000 0.405 919 W N 1.761 123.069 121.300 0.014 0.000 2.389 919 W HA -0.209 4.452 4.660 0.001 0.000 0.267 919 W C 2.247 178.798 176.519 0.052 0.000 1.219 919 W CA 1.112 58.480 57.345 0.039 0.000 1.189 919 W CB -0.323 29.165 29.460 0.047 0.000 1.129 919 W HN 0.427 nan 8.180 nan 0.000 0.581 920 S N -1.051 114.751 115.700 0.170 0.000 2.436 920 S HA -0.073 4.398 4.470 0.001 0.000 0.228 920 S C 0.903 175.544 174.600 0.069 0.000 1.014 920 S CA 0.163 58.438 58.200 0.125 0.000 0.950 920 S CB -0.449 62.806 63.200 0.092 0.000 0.784 920 S HN 0.219 nan 8.310 nan 0.000 0.504 921 N N 2.035 120.745 118.700 0.016 0.000 2.497 921 N HA 0.069 4.810 4.740 0.001 0.000 0.271 921 N C 0.702 176.218 175.510 0.010 0.000 1.142 921 N CA 0.169 53.215 53.050 -0.007 0.000 0.965 921 N CB 1.234 39.688 38.487 -0.055 0.000 1.077 921 N HN 0.469 nan 8.380 nan 0.000 0.462 922 E N 3.308 123.526 120.200 0.029 0.000 2.072 922 E HA -0.115 4.236 4.350 0.001 0.000 0.190 922 E C 1.011 177.640 176.600 0.048 0.000 0.982 922 E CA 0.973 57.403 56.400 0.049 0.000 0.803 922 E CB 0.182 29.914 29.700 0.053 0.000 0.755 922 E HN 0.681 nan 8.360 nan 0.000 0.453 923 N N 0.373 119.094 118.700 0.034 0.000 2.058 923 N HA -0.164 4.577 4.740 0.001 0.000 0.191 923 N C 1.441 176.959 175.510 0.014 0.000 1.037 923 N CA 1.281 54.356 53.050 0.041 0.000 0.848 923 N CB -0.110 38.393 38.487 0.027 0.000 1.021 923 N HN 0.083 nan 8.380 nan 0.000 0.422 924 D N 0.495 120.869 120.400 -0.043 0.000 2.191 924 D HA -0.166 4.474 4.640 0.001 0.000 0.195 924 D C 1.911 178.149 176.300 -0.103 0.000 1.003 924 D CA 1.116 55.043 54.000 -0.122 0.000 0.867 924 D CB -0.033 40.636 40.800 -0.220 0.000 0.926 924 D HN 0.197 nan 8.370 nan 0.000 0.450 925 R N -0.620 119.861 120.500 -0.031 0.000 2.075 925 R HA -0.053 4.287 4.340 0.001 0.000 0.232 925 R C 2.189 178.539 176.300 0.084 0.000 1.126 925 R CA 0.464 56.594 56.100 0.050 0.000 0.963 925 R CB -0.386 29.978 30.300 0.108 0.000 0.858 925 R HN 0.161 nan 8.270 nan 0.000 0.435 926 L N 0.912 122.183 121.223 0.080 0.000 2.046 926 L HA -0.165 4.176 4.340 0.001 0.000 0.208 926 L C 2.034 178.964 176.870 0.100 0.000 1.077 926 L CA 1.457 56.348 54.840 0.086 0.000 0.747 926 L CB -0.497 41.622 42.059 0.100 0.000 0.896 926 L HN 0.122 nan 8.230 nan 0.000 0.432 927 L N -1.315 119.982 121.223 0.122 0.000 2.017 927 L HA -0.168 4.172 4.340 0.001 0.000 0.208 927 L C 2.416 179.426 176.870 0.233 0.000 1.073 927 L CA 1.702 56.656 54.840 0.190 0.000 0.745 927 L CB -0.637 41.531 42.059 0.182 0.000 0.894 927 L HN 0.105 nan 8.230 nan 0.000 0.432 928 V N -1.443 118.604 119.914 0.222 0.000 2.407 928 V HA -0.341 3.779 4.120 0.001 0.000 0.248 928 V C 2.553 178.792 176.094 0.241 0.000 1.055 928 V CA 1.779 64.264 62.300 0.308 0.000 1.049 928 V CB -0.725 31.243 31.823 0.241 0.000 0.662 928 V HN 0.614 nan 8.190 nan 0.000 0.455 929 C N -0.787 118.608 119.300 0.159 0.000 2.457 929 C HA -0.123 4.338 4.460 0.001 0.000 0.278 929 C C 2.779 177.781 174.990 0.021 0.000 1.309 929 C CA 0.566 59.645 59.018 0.102 0.000 1.735 929 C CB -0.914 26.867 27.740 0.069 0.000 1.992 929 C HN 0.594 nan 8.230 nan 0.000 0.493 930 Q N 0.435 120.226 119.800 -0.014 0.000 1.993 930 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 930 Q C 2.366 178.249 176.000 -0.196 0.000 0.984 930 Q CA 1.708 57.418 55.803 -0.155 0.000 0.837 930 Q CB -0.375 28.230 28.738 -0.222 0.000 0.902 930 Q HN 0.540 nan 8.270 nan 0.000 0.423 931 V N 0.652 120.484 119.914 -0.136 0.000 2.380 931 V HA -0.352 3.769 4.120 0.001 0.000 0.251 931 V C 2.407 178.346 176.094 -0.259 0.000 1.063 931 V CA 1.717 63.880 62.300 -0.228 0.000 1.055 931 V CB -0.675 30.949 31.823 -0.332 0.000 0.657 931 V HN 0.620 nan 8.190 nan 0.000 0.455 932 C N -0.393 118.833 119.300 -0.123 0.000 2.432 932 C HA -0.138 4.322 4.460 0.001 0.000 0.277 932 C C 2.581 177.474 174.990 -0.162 0.000 1.249 932 C CA 1.361 60.274 59.018 -0.175 0.000 1.725 932 C CB -0.826 26.948 27.740 0.056 0.000 2.028 932 C HN 0.619 nan 8.230 nan 0.000 0.477 933 I N 0.137 120.645 120.570 -0.103 0.000 2.676 933 I HA -0.121 4.049 4.170 0.001 0.000 0.259 933 I C 2.423 178.484 176.117 -0.092 0.000 1.194 933 I CA 1.346 62.593 61.300 -0.089 0.000 1.473 933 I CB -0.413 37.541 38.000 -0.077 0.000 1.096 933 I HN 0.388 nan 8.210 nan 0.000 0.443 934 K N 0.054 120.372 120.400 -0.136 0.000 2.097 934 K HA -0.173 4.147 4.320 0.001 0.000 0.205 934 K C 1.970 178.526 176.600 -0.074 0.000 1.050 934 K CA 1.135 57.363 56.287 -0.099 0.000 0.938 934 K CB -0.111 32.290 32.500 -0.164 0.000 0.718 934 K HN 0.211 nan 8.250 nan 0.000 0.442 935 L N 0.923 122.048 121.223 -0.163 0.000 2.056 935 L HA -0.089 4.252 4.340 0.001 0.000 0.207 935 L C 2.119 178.952 176.870 -0.061 0.000 1.078 935 L CA 1.651 56.392 54.840 -0.166 0.000 0.749 935 L CB -0.569 41.268 42.059 -0.371 0.000 0.901 935 L HN 0.093 nan 8.230 nan 0.000 0.433 936 A N -1.381 121.405 122.820 -0.058 0.000 2.015 936 A HA -0.212 4.108 4.320 0.001 0.000 0.219 936 A C 2.002 179.577 177.584 -0.015 0.000 1.163 936 A CA 1.607 53.639 52.037 -0.008 0.000 0.646 936 A CB -0.665 18.321 19.000 -0.024 0.000 0.806 936 A HN 0.510 nan 8.150 nan 0.000 0.448 937 D N -0.243 120.180 120.400 0.039 0.000 2.317 937 D HA -0.027 4.613 4.640 0.001 0.000 0.211 937 D C 1.136 177.579 176.300 0.237 0.000 0.966 937 D CA 1.075 55.181 54.000 0.177 0.000 0.876 937 D CB -0.074 40.891 40.800 0.276 0.000 0.927 937 D HN 0.610 nan 8.370 nan 0.000 0.519 938 I N -1.871 118.791 120.570 0.153 0.000 3.326 938 I HA 0.266 4.436 4.170 0.001 0.000 0.336 938 I C 0.801 176.993 176.117 0.125 0.000 1.543 938 I CA -0.476 60.937 61.300 0.189 0.000 1.013 938 I CB -0.020 38.141 38.000 0.268 0.000 1.468 938 I HN -0.159 nan 8.210 nan 0.000 0.515 939 N N 1.768 120.502 118.700 0.057 0.000 2.459 939 N HA -0.103 4.637 4.740 0.001 0.000 0.181 939 N C 1.571 177.124 175.510 0.072 0.000 1.046 939 N CA 1.054 54.153 53.050 0.082 0.000 0.904 939 N CB -0.142 38.400 38.487 0.090 0.000 0.964 939 N HN 0.522 nan 8.380 nan 0.000 0.444 940 G N 3.037 111.856 108.800 0.033 0.000 2.719 940 G HA2 -0.276 3.684 3.960 0.001 0.000 0.219 940 G HA3 -0.276 3.684 3.960 0.001 0.000 0.219 940 G C -0.693 174.315 174.900 0.180 0.000 1.234 940 G CA 1.147 46.356 45.100 0.182 0.000 0.788 940 G HN 0.453 nan 8.290 nan 0.000 0.619 941 P HA 0.107 nan 4.420 nan 0.000 0.242 941 P C 0.793 178.077 177.300 -0.027 0.000 1.198 941 P CA 1.430 64.373 63.100 -0.261 0.000 0.756 941 P CB 0.005 31.622 31.700 -0.137 0.000 0.911 942 A N -1.641 121.255 122.820 0.127 0.000 2.324 942 A HA 0.145 4.465 4.320 0.001 0.000 0.220 942 A C 1.256 179.120 177.584 0.467 0.000 1.209 942 A CA 0.287 52.498 52.037 0.290 0.000 0.918 942 A CB 0.070 19.262 19.000 0.320 0.000 0.959 942 A HN -0.029 nan 8.150 nan 0.000 0.507 943 K N -0.467 120.066 120.400 0.221 0.000 2.488 943 K HA 0.358 4.678 4.320 0.001 0.000 0.255 943 K C 0.132 176.568 176.600 -0.274 0.000 1.036 943 K CA -0.585 55.716 56.287 0.023 0.000 0.990 943 K CB 0.349 32.785 32.500 -0.106 0.000 1.304 943 K HN 0.041 nan 8.250 nan 0.000 0.505 944 V N 2.366 122.022 119.914 -0.430 0.000 2.715 944 V HA -0.002 4.118 4.120 0.001 0.000 0.299 944 V C 2.006 178.002 176.094 -0.162 0.000 1.054 944 V CA 0.282 62.259 62.300 -0.539 0.000 1.077 944 V CB 0.754 32.421 31.823 -0.260 0.000 0.972 944 V HN 0.710 nan 8.190 nan 0.000 0.484 945 R N 3.291 123.734 120.500 -0.097 0.000 2.224 945 R HA -0.245 4.096 4.340 0.001 0.000 0.251 945 R C 1.469 177.784 176.300 0.024 0.000 1.123 945 R CA 3.021 59.145 56.100 0.040 0.000 0.944 945 R CB -0.508 29.796 30.300 0.006 0.000 0.910 945 R HN 0.961 nan 8.270 nan 0.000 0.440 946 D N 0.268 120.646 120.400 -0.037 0.000 2.182 946 D HA -0.182 4.458 4.640 0.001 0.000 0.201 946 D C 2.143 178.397 176.300 -0.078 0.000 0.986 946 D CA 1.198 55.155 54.000 -0.071 0.000 0.847 946 D CB -0.288 40.464 40.800 -0.079 0.000 0.942 946 D HN 0.396 nan 8.370 nan 0.000 0.467 947 L N -0.018 121.193 121.223 -0.020 0.000 2.068 947 L HA -0.110 4.231 4.340 0.001 0.000 0.204 947 L C 2.573 179.544 176.870 0.169 0.000 1.076 947 L CA 0.732 55.597 54.840 0.042 0.000 0.753 947 L CB -0.439 41.661 42.059 0.068 0.000 0.910 947 L HN 0.067 nan 8.230 nan 0.000 0.439 948 H N 0.921 120.060 119.070 0.116 0.000 2.289 948 H HA -0.214 4.342 4.556 0.001 0.000 0.296 948 H C 2.074 177.498 175.328 0.159 0.000 1.091 948 H CA 1.964 58.130 56.048 0.196 0.000 1.274 948 H CB -0.401 29.458 29.762 0.162 0.000 1.364 948 H HN 0.154 nan 8.280 nan 0.000 0.490 949 L N -0.308 120.798 121.223 -0.195 0.000 2.127 949 L HA -0.165 4.176 4.340 0.001 0.000 0.211 949 L C 2.668 179.401 176.870 -0.228 0.000 1.089 949 L CA 1.773 56.458 54.840 -0.259 0.000 0.757 949 L CB -0.457 41.502 42.059 -0.167 0.000 0.899 949 L HN 0.246 nan 8.230 nan 0.000 0.434 950 K N -0.127 120.106 120.400 -0.278 0.000 2.025 950 K HA -0.175 4.146 4.320 0.001 0.000 0.207 950 K C 1.887 178.246 176.600 -0.403 0.000 1.049 950 K CA 1.597 57.589 56.287 -0.492 0.000 0.933 950 K CB -0.309 31.699 32.500 -0.820 0.000 0.714 950 K HN 0.195 nan 8.250 nan 0.000 0.438 951 W N 0.341 121.607 121.300 -0.056 0.000 2.402 951 W HA -0.106 4.555 4.660 0.001 0.000 0.286 951 W C 2.093 178.591 176.519 -0.035 0.000 1.221 951 W CA 1.097 58.459 57.345 0.029 0.000 1.257 951 W CB -0.319 29.216 29.460 0.125 0.000 1.120 951 W HN 0.062 nan 8.180 nan 0.000 0.551 952 T N -0.135 114.443 114.554 0.040 0.000 2.746 952 T HA -0.260 4.091 4.350 0.001 0.000 0.267 952 T C 1.502 176.075 174.700 -0.211 0.000 1.039 952 T CA 1.693 63.703 62.100 -0.150 0.000 1.142 952 T CB -0.300 68.423 68.868 -0.243 0.000 0.866 952 T HN 0.285 nan 8.240 nan 0.000 0.444 953 E N 0.522 120.614 120.200 -0.180 0.000 2.077 953 E HA -0.119 4.232 4.350 0.001 0.000 0.193 953 E C 2.440 178.924 176.600 -0.194 0.000 0.989 953 E CA 1.218 57.503 56.400 -0.192 0.000 0.800 953 E CB -0.446 29.133 29.700 -0.201 0.000 0.746 953 E HN 0.508 nan 8.360 nan 0.000 0.452 954 G N 1.150 109.873 108.800 -0.127 0.000 2.418 954 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 954 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 954 G C 1.532 176.354 174.900 -0.131 0.000 1.158 954 G CA 0.811 45.880 45.100 -0.052 0.000 0.771 954 G HN 0.330 nan 8.290 nan 0.000 0.545 955 I N 1.468 121.868 120.570 -0.284 0.000 2.202 955 I HA -0.138 4.032 4.170 0.001 0.000 0.242 955 I C 2.971 178.548 176.117 -0.901 0.000 1.091 955 I CA 1.505 62.305 61.300 -0.832 0.000 1.368 955 I CB -0.369 36.893 38.000 -1.231 0.000 1.058 955 I HN 0.131 nan 8.210 nan 0.000 0.410 956 V N -0.221 119.253 119.914 -0.732 0.000 2.287 956 V HA -0.271 3.850 4.120 0.001 0.000 0.248 956 V C 2.228 177.900 176.094 -0.704 0.000 1.053 956 V CA 2.431 64.282 62.300 -0.749 0.000 1.027 956 V CB -1.692 29.784 31.823 -0.577 0.000 0.646 956 V HN 0.418 nan 8.190 nan 0.000 0.447 957 N N 0.497 118.947 118.700 -0.418 0.000 2.289 957 N HA -0.136 4.605 4.740 0.001 0.000 0.184 957 N C 1.867 177.303 175.510 -0.122 0.000 1.016 957 N CA 1.702 54.628 53.050 -0.207 0.000 0.872 957 N CB -0.352 38.076 38.487 -0.097 0.000 0.973 957 N HN 0.812 nan 8.380 nan 0.000 0.433 958 E N -0.312 119.786 120.200 -0.170 0.000 2.072 958 E HA -0.022 4.329 4.350 0.001 0.000 0.190 958 E C 1.446 178.093 176.600 0.080 0.000 0.982 958 E CA 0.572 56.941 56.400 -0.050 0.000 0.803 958 E CB -0.116 29.532 29.700 -0.086 0.000 0.755 958 E HN 0.373 nan 8.360 nan 0.000 0.453 959 F N -0.422 119.392 119.950 -0.225 0.000 2.161 959 F HA -0.249 4.279 4.527 0.001 0.000 0.300 959 F C 1.898 177.677 175.800 -0.035 0.000 1.089 959 F CA 0.629 58.524 58.000 -0.175 0.000 1.282 959 F CB -0.130 38.719 39.000 -0.252 0.000 1.010 959 F HN 0.185 nan 8.300 nan 0.000 0.485 960 Y N -0.055 120.327 120.300 0.138 0.000 2.314 960 Y HA -0.183 4.368 4.550 0.001 0.000 0.293 960 Y C 2.292 178.202 175.900 0.016 0.000 1.129 960 Y CA 0.377 58.511 58.100 0.057 0.000 1.201 960 Y CB -0.292 38.188 38.460 0.032 0.000 0.999 960 Y HN 0.096 nan 8.280 nan 0.000 0.541 961 E N 0.317 120.611 120.200 0.156 0.000 2.106 961 E HA -0.274 4.077 4.350 0.001 0.000 0.192 961 E C 2.075 178.672 176.600 -0.005 0.000 0.984 961 E CA 1.058 57.496 56.400 0.064 0.000 0.806 961 E CB -0.086 29.635 29.700 0.036 0.000 0.750 961 E HN 0.529 nan 8.360 nan 0.000 0.458 962 Q N 0.203 119.977 119.800 -0.043 0.000 2.079 962 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 962 Q C 2.185 178.121 176.000 -0.107 0.000 0.974 962 Q CA 1.561 57.237 55.803 -0.212 0.000 0.840 962 Q CB -0.179 28.389 28.738 -0.284 0.000 0.898 962 Q HN 0.260 nan 8.270 nan 0.000 0.430 963 G N 0.537 109.340 108.800 0.005 0.000 2.422 963 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 963 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 963 G C 0.874 175.795 174.900 0.035 0.000 1.146 963 G CA 1.057 46.181 45.100 0.040 0.000 0.769 963 G HN 0.382 nan 8.290 nan 0.000 0.547 964 D N 0.201 120.622 120.400 0.035 0.000 2.104 964 D HA -0.095 4.546 4.640 0.001 0.000 0.194 964 D C 2.199 178.519 176.300 0.032 0.000 0.994 964 D CA 1.241 55.256 54.000 0.025 0.000 0.830 964 D CB -0.313 40.502 40.800 0.024 0.000 0.959 964 D HN 0.533 nan 8.370 nan 0.000 0.452 965 E N 0.657 120.874 120.200 0.029 0.000 2.047 965 E HA -0.179 4.172 4.350 0.001 0.000 0.191 965 E C 1.785 178.469 176.600 0.139 0.000 0.987 965 E CA 0.854 57.297 56.400 0.072 0.000 0.799 965 E CB 0.107 29.839 29.700 0.054 0.000 0.752 965 E HN 0.291 nan 8.360 nan 0.000 0.449 966 E N 0.230 120.527 120.200 0.163 0.000 2.130 966 E HA -0.252 4.099 4.350 0.001 0.000 0.196 966 E C 2.018 178.679 176.600 0.102 0.000 0.998 966 E CA 1.021 57.544 56.400 0.204 0.000 0.806 966 E CB -0.174 29.631 29.700 0.175 0.000 0.738 966 E HN 0.357 nan 8.360 nan 0.000 0.459 967 A N 1.917 124.776 122.820 0.065 0.000 1.855 967 A HA -0.185 4.136 4.320 0.001 0.000 0.215 967 A C 1.880 179.486 177.584 0.036 0.000 1.191 967 A CA 1.269 53.328 52.037 0.036 0.000 0.613 967 A CB -0.471 18.541 19.000 0.019 0.000 0.829 967 A HN 0.139 nan 8.150 nan 0.000 0.442 968 N N -0.076 118.650 118.700 0.043 0.000 2.430 968 N HA -0.075 4.665 4.740 0.001 0.000 0.186 968 N C 1.042 176.577 175.510 0.041 0.000 1.032 968 N CA 0.951 54.024 53.050 0.038 0.000 0.893 968 N CB -0.228 38.285 38.487 0.043 0.000 0.957 968 N HN 0.518 nan 8.380 nan 0.000 0.442 969 L N -0.958 120.296 121.223 0.053 0.000 2.728 969 L HA 0.237 4.578 4.340 0.001 0.000 0.238 969 L C 1.199 178.081 176.870 0.021 0.000 1.143 969 L CA -0.067 54.797 54.840 0.039 0.000 0.937 969 L CB 0.083 42.174 42.059 0.054 0.000 1.225 969 L HN 0.060 nan 8.230 nan 0.000 0.507 970 G N 0.838 109.650 108.800 0.020 0.000 2.155 970 G HA2 -0.285 3.675 3.960 0.001 0.000 0.257 970 G HA3 -0.285 3.675 3.960 0.001 0.000 0.257 970 G C 0.241 175.145 174.900 0.008 0.000 0.983 970 G CA 0.130 45.236 45.100 0.010 0.000 0.676 970 G HN 0.259 nan 8.290 nan 0.000 0.528 971 L N 0.499 121.734 121.223 0.019 0.000 2.379 971 L HA 0.428 4.768 4.340 0.001 0.000 0.269 971 L C -1.784 175.098 176.870 0.019 0.000 1.084 971 L CA -2.217 52.633 54.840 0.016 0.000 0.802 971 L CB 1.018 43.093 42.059 0.026 0.000 1.175 971 L HN -0.137 nan 8.230 nan 0.000 0.448 972 P HA 0.109 nan 4.420 nan 0.000 0.267 972 P C -0.357 176.948 177.300 0.008 0.000 1.209 972 P CA -0.004 63.096 63.100 0.000 0.000 0.763 972 P CB 0.285 31.979 31.700 -0.010 0.000 0.816 973 I N 1.801 122.372 120.570 0.002 0.000 2.683 973 I HA -0.053 4.118 4.170 0.001 0.000 0.286 973 I C 0.908 177.012 176.117 -0.021 0.000 1.175 973 I CA 0.521 61.822 61.300 0.002 0.000 1.429 973 I CB 0.119 38.117 38.000 -0.005 0.000 1.371 973 I HN 0.331 nan 8.210 nan 0.000 0.569 974 S N 7.185 122.871 115.700 -0.024 0.000 2.580 974 S HA 0.209 4.679 4.470 0.001 0.000 0.274 974 S C -2.100 172.435 174.600 -0.108 0.000 1.329 974 S CA -0.946 57.218 58.200 -0.060 0.000 1.036 974 S CB 0.661 63.820 63.200 -0.068 0.000 0.919 974 S HN 0.406 nan 8.310 nan 0.000 0.515 975 P HA 0.028 nan 4.420 nan 0.000 0.264 975 P C 0.054 177.192 177.300 -0.269 0.000 1.179 975 P CA 0.536 63.417 63.100 -0.365 0.000 0.763 975 P CB -0.105 31.346 31.700 -0.416 0.000 0.806 976 F N -1.090 118.874 119.950 0.024 0.000 2.825 976 F HA -0.268 4.259 4.527 0.001 0.000 0.358 976 F C 1.119 177.012 175.800 0.156 0.000 0.639 976 F CA 0.593 58.647 58.000 0.090 0.000 1.153 976 F CB -2.023 37.040 39.000 0.105 0.000 1.610 976 F HN 0.368 nan 8.300 nan 0.000 0.305 977 M N -0.766 118.937 119.600 0.172 0.000 2.404 977 M HA 0.180 4.661 4.480 0.001 0.000 0.271 977 M C 0.132 176.601 176.300 0.281 0.000 1.128 977 M CA 0.224 55.665 55.300 0.235 0.000 0.982 977 M CB 0.239 32.844 32.600 0.009 0.000 1.445 977 M HN -0.025 nan 8.290 nan 0.000 0.495 978 D N 1.956 122.467 120.400 0.185 0.000 2.359 978 D HA 0.147 4.788 4.640 0.001 0.000 0.230 978 D C 1.118 177.322 176.300 -0.160 0.000 1.118 978 D CA -0.095 53.916 54.000 0.019 0.000 0.844 978 D CB 0.987 41.777 40.800 -0.017 0.000 1.059 978 D HN 0.360 nan 8.370 nan 0.000 0.493 979 R N 1.589 121.779 120.500 -0.518 0.000 2.189 979 R HA -0.090 4.250 4.340 0.001 0.000 0.223 979 R C 1.393 177.451 176.300 -0.403 0.000 1.092 979 R CA 1.214 56.726 56.100 -0.979 0.000 0.989 979 R CB -0.270 29.406 30.300 -1.040 0.000 0.876 979 R HN 0.268 nan 8.270 nan 0.000 0.457 980 S N -0.578 114.984 115.700 -0.230 0.000 2.562 980 S HA 0.039 4.510 4.470 0.001 0.000 0.221 980 S C 0.889 175.438 174.600 -0.085 0.000 0.975 980 S CA 0.195 58.316 58.200 -0.132 0.000 0.918 980 S CB 0.391 63.535 63.200 -0.094 0.000 0.772 980 S HN 0.235 nan 8.310 nan 0.000 0.531 981 S N 2.902 118.555 115.700 -0.078 0.000 2.606 981 S HA 0.386 4.857 4.470 0.001 0.000 0.156 981 S C -2.866 171.743 174.600 0.014 0.000 1.308 981 S CA -1.109 57.074 58.200 -0.029 0.000 1.228 981 S CB 0.587 63.769 63.200 -0.031 0.000 1.568 981 S HN 0.384 nan 8.310 nan 0.000 0.397 982 P HA 0.324 nan 4.420 nan 0.000 0.272 982 P C -0.791 176.604 177.300 0.158 0.000 1.230 982 P CA -0.110 63.088 63.100 0.163 0.000 0.788 982 P CB 0.620 32.440 31.700 0.200 0.000 0.949 983 Q N 1.044 120.987 119.800 0.239 0.000 2.458 983 Q HA 0.113 4.454 4.340 0.001 0.000 0.332 983 Q C 0.810 176.971 176.000 0.267 0.000 0.825 983 Q CA -0.471 55.485 55.803 0.256 0.000 1.076 983 Q CB 0.479 29.382 28.738 0.276 0.000 1.394 983 Q HN 0.317 nan 8.270 nan 0.000 0.393 984 L N 1.288 122.601 121.223 0.149 0.000 1.990 984 L HA -0.185 4.155 4.340 0.001 0.000 0.213 984 L C 1.948 178.696 176.870 -0.203 0.000 1.072 984 L CA 2.830 57.651 54.840 -0.033 0.000 0.755 984 L CB -0.579 41.476 42.059 -0.007 0.000 0.889 984 L HN 0.354 nan 8.230 nan 0.000 0.432 985 A N -0.842 121.983 122.820 0.008 0.000 1.908 985 A HA -0.279 4.041 4.320 0.001 0.000 0.218 985 A C 2.484 180.057 177.584 -0.020 0.000 1.181 985 A CA 2.080 54.177 52.037 0.100 0.000 0.627 985 A CB -0.701 18.540 19.000 0.401 0.000 0.818 985 A HN 0.540 nan 8.150 nan 0.000 0.445 986 K N -0.808 119.635 120.400 0.073 0.000 2.097 986 K HA -0.140 4.181 4.320 0.001 0.000 0.206 986 K C 1.922 178.476 176.600 -0.075 0.000 1.049 986 K CA 1.454 57.812 56.287 0.119 0.000 0.933 986 K CB -0.264 32.416 32.500 0.301 0.000 0.717 986 K HN 0.401 nan 8.250 nan 0.000 0.442 987 L N 1.302 122.312 121.223 -0.355 0.000 2.027 987 L HA -0.190 4.150 4.340 0.001 0.000 0.206 987 L C 2.175 178.752 176.870 -0.489 0.000 1.074 987 L CA 1.727 56.058 54.840 -0.849 0.000 0.745 987 L CB -0.460 41.094 42.059 -0.842 0.000 0.898 987 L HN 0.163 nan 8.230 nan 0.000 0.433 988 Q N -0.234 119.229 119.800 -0.562 0.000 2.079 988 Q HA -0.190 4.150 4.340 0.001 0.000 0.200 988 Q C 2.213 178.071 176.000 -0.237 0.000 0.974 988 Q CA 1.453 56.905 55.803 -0.584 0.000 0.840 988 Q CB -0.544 27.297 28.738 -1.494 0.000 0.898 988 Q HN 0.623 nan 8.270 nan 0.000 0.430 989 E N 0.410 120.521 120.200 -0.147 0.000 2.153 989 E HA -0.111 4.239 4.350 0.001 0.000 0.194 989 E C 1.894 178.601 176.600 0.178 0.000 0.988 989 E CA 0.809 57.263 56.400 0.090 0.000 0.811 989 E CB 0.223 29.984 29.700 0.101 0.000 0.746 989 E HN 0.121 nan 8.360 nan 0.000 0.466 990 S N -0.489 115.289 115.700 0.130 0.000 2.362 990 S HA -0.067 4.404 4.470 0.001 0.000 0.221 990 S C 1.609 176.372 174.600 0.272 0.000 1.032 990 S CA 0.594 58.951 58.200 0.261 0.000 0.973 990 S CB -0.400 62.924 63.200 0.207 0.000 0.849 990 S HN 0.342 nan 8.310 nan 0.000 0.465 991 F N 2.044 121.989 119.950 -0.008 0.000 2.161 991 F HA -0.023 4.505 4.527 0.001 0.000 0.300 991 F C 1.769 177.565 175.800 -0.006 0.000 1.089 991 F CA 1.207 59.189 58.000 -0.031 0.000 1.282 991 F CB -0.238 38.688 39.000 -0.124 0.000 1.010 991 F HN 0.206 nan 8.300 nan 0.000 0.485 992 I N -1.326 119.312 120.570 0.113 0.000 2.406 992 I HA -0.239 3.932 4.170 0.001 0.000 0.249 992 I C 2.154 178.222 176.117 -0.081 0.000 1.122 992 I CA 1.424 62.747 61.300 0.038 0.000 1.431 992 I CB -0.617 37.528 38.000 0.241 0.000 1.087 992 I HN 0.017 nan 8.210 nan 0.000 0.424 993 T N -0.924 113.605 114.554 -0.042 0.000 2.857 993 T HA -0.093 4.257 4.350 0.001 0.000 0.266 993 T C 1.712 176.228 174.700 -0.307 0.000 1.048 993 T CA 1.127 63.101 62.100 -0.211 0.000 1.139 993 T CB -0.162 68.565 68.868 -0.234 0.000 0.874 993 T HN 0.349 nan 8.240 nan 0.000 0.455 994 H N -0.984 118.068 119.070 -0.031 0.000 2.582 994 H HA 0.323 4.879 4.556 0.001 0.000 0.269 994 H C 1.291 176.512 175.328 -0.177 0.000 0.962 994 H CA 0.578 56.623 56.048 -0.004 0.000 1.230 994 H CB 0.583 30.397 29.762 0.086 0.000 1.445 994 H HN 0.323 nan 8.280 nan 0.000 0.528 995 I N -1.107 119.256 120.570 -0.345 0.000 4.021 995 I HA -0.051 4.119 4.170 0.001 0.000 0.245 995 I C 2.312 178.132 176.117 -0.495 0.000 1.093 995 I CA 0.158 61.037 61.300 -0.701 0.000 1.702 995 I CB -0.448 36.812 38.000 -1.232 0.000 1.597 995 I HN -0.216 nan 8.210 nan 0.000 0.443 996 V N 1.549 121.130 119.914 -0.556 0.000 2.231 996 V HA -0.291 3.829 4.120 0.001 0.000 0.250 996 V C 2.519 178.520 176.094 -0.154 0.000 1.058 996 V CA 2.545 64.685 62.300 -0.266 0.000 1.022 996 V CB -1.891 29.845 31.823 -0.145 0.000 0.640 996 V HN 0.643 nan 8.190 nan 0.000 0.445 997 G N 1.358 110.067 108.800 -0.151 0.000 2.631 997 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 997 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 997 G C 0.102 174.953 174.900 -0.083 0.000 1.214 997 G CA 1.507 46.535 45.100 -0.120 0.000 0.785 997 G HN 0.581 nan 8.290 nan 0.000 0.596 998 P HA -0.066 nan 4.420 nan 0.000 0.218 998 P C 2.096 179.389 177.300 -0.013 0.000 1.148 998 P CA 0.754 63.844 63.100 -0.018 0.000 0.822 998 P CB -0.089 31.623 31.700 0.020 0.000 0.784 999 L N 0.368 121.571 121.223 -0.033 0.000 1.994 999 L HA -0.142 4.199 4.340 0.001 0.000 0.208 999 L C 2.533 179.366 176.870 -0.061 0.000 1.071 999 L CA 1.998 56.804 54.840 -0.057 0.000 0.745 999 L CB -1.454 40.574 42.059 -0.053 0.000 0.892 999 L HN -0.026 nan 8.230 nan 0.000 0.431 1000 C N 0.119 119.384 119.300 -0.057 0.000 2.425 1000 C HA -0.101 4.360 4.460 0.001 0.000 0.277 1000 C C 2.534 177.532 174.990 0.013 0.000 1.280 1000 C CA 0.814 59.813 59.018 -0.032 0.000 1.744 1000 C CB -1.435 26.277 27.740 -0.046 0.000 1.989 1000 C HN 0.625 nan 8.230 nan 0.000 0.491 1001 N N 0.683 119.386 118.700 0.004 0.000 2.244 1001 N HA -0.108 4.632 4.740 0.001 0.000 0.183 1001 N C 1.951 177.497 175.510 0.059 0.000 1.016 1001 N CA 1.447 54.508 53.050 0.019 0.000 0.866 1001 N CB -0.488 38.004 38.487 0.009 0.000 0.980 1001 N HN 0.524 nan 8.380 nan 0.000 0.430 1002 S N 0.353 116.100 115.700 0.079 0.000 2.335 1002 S HA -0.146 4.324 4.470 0.001 0.000 0.216 1002 S C 1.937 176.689 174.600 0.252 0.000 1.032 1002 S CA 0.607 58.906 58.200 0.165 0.000 1.000 1002 S CB -0.585 62.707 63.200 0.153 0.000 0.928 1002 S HN 0.375 nan 8.310 nan 0.000 0.434 1003 Y N 1.765 122.032 120.300 -0.055 0.000 2.315 1003 Y HA -0.137 4.414 4.550 0.001 0.000 0.288 1003 Y C 2.004 177.920 175.900 0.027 0.000 1.154 1003 Y CA 2.064 60.111 58.100 -0.089 0.000 1.229 1003 Y CB -0.418 37.901 38.460 -0.235 0.000 0.980 1003 Y HN 0.537 nan 8.280 nan 0.000 0.540 1004 D N -0.849 119.633 120.400 0.136 0.000 2.149 1004 D HA -0.086 4.555 4.640 0.001 0.000 0.206 1004 D C 2.262 178.560 176.300 -0.003 0.000 0.967 1004 D CA 1.176 55.193 54.000 0.028 0.000 0.848 1004 D CB -0.281 40.517 40.800 -0.003 0.000 0.998 1004 D HN 0.260 nan 8.370 nan 0.000 0.474 1005 A N 0.670 123.512 122.820 0.037 0.000 1.986 1005 A HA -0.092 4.229 4.320 0.001 0.000 0.220 1005 A C 2.345 179.941 177.584 0.019 0.000 1.171 1005 A CA 2.161 54.213 52.037 0.026 0.000 0.640 1005 A CB -1.132 17.898 19.000 0.050 0.000 0.811 1005 A HN 0.366 nan 8.150 nan 0.000 0.451 1006 A N -1.953 120.903 122.820 0.059 0.000 1.972 1006 A HA 0.302 4.622 4.320 0.001 0.000 0.219 1006 A C 2.088 179.660 177.584 -0.020 0.000 1.169 1006 A CA 1.774 53.825 52.037 0.023 0.000 0.635 1006 A CB -0.902 18.191 19.000 0.154 0.000 0.810 1006 A HN 2.018 nan 8.150 nan 0.000 0.446 1007 G N -1.803 106.962 108.800 -0.059 0.000 2.138 1007 G HA2 -0.172 3.789 3.960 0.001 0.000 0.193 1007 G HA3 -0.172 3.789 3.960 0.001 0.000 0.193 1007 G C 0.448 175.276 174.900 -0.120 0.000 0.998 1007 G CA 0.221 45.270 45.100 -0.084 0.000 0.668 1007 G HN 0.616 nan 8.290 nan 0.000 0.516 1008 L N -0.056 121.034 121.223 -0.220 0.000 2.653 1008 L HA 0.439 4.780 4.340 0.001 0.000 0.231 1008 L C 1.123 177.869 176.870 -0.205 0.000 1.153 1008 L CA -0.094 54.579 54.840 -0.279 0.000 0.933 1008 L CB 0.044 41.794 42.059 -0.515 0.000 1.175 1008 L HN 0.156 nan 8.230 nan 0.000 0.473 1009 L N 3.633 124.773 121.223 -0.140 0.000 2.290 1009 L HA 0.329 4.670 4.340 0.001 0.000 0.284 1009 L C -1.855 174.928 176.870 -0.144 0.000 1.078 1009 L CA -1.666 53.139 54.840 -0.059 0.000 0.815 1009 L CB 1.390 43.405 42.059 -0.073 0.000 1.162 1009 L HN -0.142 nan 8.230 nan 0.000 0.435 1010 P HA 0.273 nan 4.420 nan 0.000 0.275 1010 P C -0.230 176.957 177.300 -0.188 0.000 1.227 1010 P CA 0.089 63.097 63.100 -0.154 0.000 0.781 1010 P CB 1.951 33.555 31.700 -0.161 0.000 0.906 1011 G N 2.161 110.881 108.800 -0.134 0.000 2.586 1011 G HA2 0.421 4.381 3.960 0.001 0.000 0.105 1011 G HA3 0.421 4.381 3.960 0.001 0.000 0.105 1011 G C -1.784 173.132 174.900 0.028 0.000 1.129 1011 G CA -0.443 44.575 45.100 -0.136 0.000 1.127 1011 G HN 0.710 nan 8.290 nan 0.000 0.532 1012 Q N -1.272 118.519 119.800 -0.016 0.000 2.527 1012 Q HA 0.536 4.877 4.340 0.001 0.000 0.280 1012 Q C -1.835 174.180 176.000 0.025 0.000 0.977 1012 Q CA -1.020 54.878 55.803 0.158 0.000 0.837 1012 Q CB 1.394 30.305 28.738 0.289 0.000 1.454 1012 Q HN 0.574 nan 8.270 nan 0.000 0.387 1013 W N 1.251 122.614 121.300 0.105 0.000 2.141 1013 W HA 0.644 5.305 4.660 0.001 0.000 0.354 1013 W C -0.019 176.549 176.519 0.081 0.000 1.297 1013 W CA -0.413 56.950 57.345 0.031 0.000 1.380 1013 W CB 0.491 29.926 29.460 -0.040 0.000 1.168 1013 W HN 0.522 nan 8.180 nan 0.000 0.639 1014 L N -0.307 121.120 121.223 0.341 0.000 2.225 1014 L HA 0.379 4.720 4.340 0.001 0.000 0.257 1014 L C 0.294 177.259 176.870 0.158 0.000 1.101 1014 L CA -1.338 53.624 54.840 0.204 0.000 1.073 1014 L CB 0.476 42.627 42.059 0.154 0.000 1.627 1014 L HN 0.295 nan 8.230 nan 0.000 0.518 1015 E N 0.234 120.495 120.200 0.101 0.000 2.665 1015 E HA 0.326 4.676 4.350 0.001 0.000 0.272 1015 E C -0.619 176.018 176.600 0.062 0.000 1.429 1015 E CA 0.614 57.054 56.400 0.066 0.000 1.219 1015 E CB 0.125 29.854 29.700 0.048 0.000 0.952 1015 E HN 0.572 nan 8.360 nan 0.000 0.556 1016 A N -0.760 122.080 122.820 0.034 0.000 2.565 1016 A HA 0.655 4.976 4.320 0.001 0.000 0.298 1016 A C -0.752 176.838 177.584 0.009 0.000 1.062 1016 A CA 0.152 52.201 52.037 0.019 0.000 0.723 1016 A CB 0.888 19.881 19.000 -0.012 0.000 1.282 1016 A HN 0.620 nan 8.150 nan 0.000 0.400 1056 R N 1.778 122.403 120.500 0.208 0.000 2.346 1056 R HA 0.535 4.876 4.340 0.001 0.000 0.311 1056 R C -0.139 176.231 176.300 0.117 0.000 0.983 1056 R CA -0.582 55.593 56.100 0.126 0.000 0.880 1056 R CB 0.997 31.360 30.300 0.106 0.000 1.100 1056 R HN 0.437 nan 8.270 nan 0.000 0.453 1057 I N -0.701 119.855 120.570 -0.023 0.000 2.957 1057 I HA 0.525 4.696 4.170 0.001 0.000 0.310 1057 I C -0.822 175.286 176.117 -0.015 0.000 1.063 1057 I CA -1.177 60.058 61.300 -0.109 0.000 1.033 1057 I CB 1.767 39.496 38.000 -0.451 0.000 1.230 1057 I HN 0.390 nan 8.210 nan 0.000 0.447 1058 F N 4.363 124.213 119.950 -0.166 0.000 2.366 1058 F HA 0.526 5.054 4.527 0.001 0.000 0.366 1058 F C -0.617 175.025 175.800 -0.263 0.000 1.096 1058 F CA -1.155 56.735 58.000 -0.183 0.000 1.060 1058 F CB 0.937 39.902 39.000 -0.059 0.000 1.282 1058 F HN 0.619 nan 8.300 nan 0.000 0.450 1059 C N 8.086 126.847 119.300 -0.899 0.000 2.225 1059 C HA 0.235 4.696 4.460 0.001 0.000 0.328 1059 C C 1.685 175.985 174.990 -1.151 0.000 1.187 1059 C CA -0.290 58.190 59.018 -0.896 0.000 1.665 1059 C CB -0.705 26.711 27.740 -0.540 0.000 2.253 1059 C HN 1.116 nan 8.230 nan 0.000 0.497 1060 Q N 2.988 122.058 119.800 -1.218 0.000 1.967 1060 Q HA -0.252 4.089 4.340 0.001 0.000 0.210 1060 Q C 1.894 177.532 176.000 -0.603 0.000 1.005 1060 Q CA 2.865 58.143 55.803 -0.875 0.000 0.862 1060 Q CB -0.109 28.347 28.738 -0.470 0.000 0.939 1060 Q HN 0.931 nan 8.270 nan 0.000 0.417 1061 L N -1.011 119.949 121.223 -0.438 0.000 2.265 1061 L HA -0.058 4.283 4.340 0.001 0.000 0.215 1061 L C 2.263 179.090 176.870 -0.071 0.000 1.117 1061 L CA 1.679 56.474 54.840 -0.074 0.000 0.782 1061 L CB -0.831 41.152 42.059 -0.126 0.000 0.914 1061 L HN 0.296 nan 8.230 nan 0.000 0.441 1062 M N -0.476 118.987 119.600 -0.229 0.000 2.175 1062 M HA -0.100 4.381 4.480 0.001 0.000 0.264 1062 M C 2.270 178.575 176.300 0.009 0.000 1.063 1062 M CA 1.759 56.977 55.300 -0.137 0.000 1.119 1062 M CB -0.593 31.864 32.600 -0.238 0.000 1.377 1062 M HN 0.449 nan 8.290 nan 0.000 0.415 1063 H N -1.954 117.053 119.070 -0.105 0.000 2.363 1063 H HA -0.117 4.440 4.556 0.001 0.000 0.301 1063 H C 1.924 177.311 175.328 0.098 0.000 1.074 1063 H CA 1.112 57.159 56.048 -0.002 0.000 1.354 1063 H CB -0.012 29.768 29.762 0.031 0.000 1.397 1063 H HN 0.407 nan 8.280 nan 0.000 0.516 1064 H N 0.332 119.535 119.070 0.222 0.000 2.353 1064 H HA -0.145 4.411 4.556 0.001 0.000 0.298 1064 H C 2.362 177.765 175.328 0.126 0.000 1.103 1064 H CA 1.048 57.201 56.048 0.176 0.000 1.293 1064 H CB -0.501 29.382 29.762 0.202 0.000 1.372 1064 H HN 0.228 nan 8.280 nan 0.000 0.501 1065 L N 0.380 121.747 121.223 0.239 0.000 2.042 1065 L HA -0.170 4.171 4.340 0.001 0.000 0.210 1065 L C 2.354 179.310 176.870 0.143 0.000 1.076 1065 L CA 1.877 56.801 54.840 0.139 0.000 0.749 1065 L CB -0.811 41.294 42.059 0.078 0.000 0.893 1065 L HN 0.184 nan 8.230 nan 0.000 0.432 1066 T N -0.959 113.684 114.554 0.148 0.000 2.777 1066 T HA -0.115 4.235 4.350 0.001 0.000 0.266 1066 T C 1.705 176.506 174.700 0.169 0.000 1.040 1066 T CA 1.276 63.462 62.100 0.143 0.000 1.141 1066 T CB -0.103 68.839 68.868 0.123 0.000 0.868 1066 T HN 0.325 nan 8.240 nan 0.000 0.444 1067 E N 1.750 122.047 120.200 0.162 0.000 2.017 1067 E HA -0.063 4.288 4.350 0.001 0.000 0.193 1067 E C 2.251 178.920 176.600 0.116 0.000 0.997 1067 E CA 0.877 57.355 56.400 0.129 0.000 0.804 1067 E CB -0.707 29.085 29.700 0.153 0.000 0.757 1067 E HN 0.373 nan 8.360 nan 0.000 0.448 1068 N N 0.692 119.476 118.700 0.139 0.000 2.258 1068 N HA -0.187 4.554 4.740 0.001 0.000 0.187 1068 N C 1.792 177.425 175.510 0.205 0.000 1.012 1068 N CA 1.101 54.234 53.050 0.140 0.000 0.870 1068 N CB -0.494 38.017 38.487 0.039 0.000 0.977 1068 N HN 0.325 nan 8.380 nan 0.000 0.434 1069 H N 1.297 120.450 119.070 0.138 0.000 2.357 1069 H HA 0.065 4.621 4.556 0.001 0.000 0.301 1069 H C 1.648 177.057 175.328 0.135 0.000 1.082 1069 H CA 1.593 57.759 56.048 0.197 0.000 1.342 1069 H CB 0.146 29.985 29.762 0.128 0.000 1.389 1069 H HN 0.097 nan 8.280 nan 0.000 0.511 1070 K N -0.061 120.373 120.400 0.057 0.000 2.160 1070 K HA -0.134 4.187 4.320 0.001 0.000 0.206 1070 K C 2.141 178.647 176.600 -0.156 0.000 1.047 1070 K CA 1.538 57.801 56.287 -0.040 0.000 0.930 1070 K CB -0.091 32.408 32.500 -0.002 0.000 0.720 1070 K HN 0.380 nan 8.250 nan 0.000 0.450 1071 I N -0.692 119.701 120.570 -0.295 0.000 2.264 1071 I HA -0.252 3.918 4.170 0.001 0.000 0.248 1071 I C 1.348 177.109 176.117 -0.593 0.000 1.111 1071 I CA 1.478 62.419 61.300 -0.597 0.000 1.382 1071 I CB -0.237 37.103 38.000 -1.100 0.000 1.060 1071 I HN 0.332 nan 8.210 nan 0.000 0.418 1072 W N 0.248 121.510 121.300 -0.063 0.000 3.103 1072 W HA 0.279 4.939 4.660 0.001 0.000 0.325 1072 W C 1.206 177.650 176.519 -0.126 0.000 1.170 1072 W CA -0.660 56.640 57.345 -0.074 0.000 1.712 1072 W CB -0.129 29.306 29.460 -0.042 0.000 1.068 1072 W HN -0.257 nan 8.180 nan 0.000 0.592 1073 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.001 0.000 0.191 1073 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 1073 K CB 0.000 32.417 32.500 -0.139 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543