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 3fbv_1_K DATA FIRST_RESID 663 DATA SEQUENCE IPNFEQSLKN LVVSEKILGY GSSGTVVFQG SFQGRPVAVK RMLIDFCDIA DATA SEQUENCE LMEIKLLTES DDHPNVIRYY CSETTDRFLY IALELCNLNL QDLVESKNVS DATA SEQUENCE DENLKLQKEY NPISLLRQIA SGVAHLHSLK IIHRDLKPQN ILVSTSSRFT DATA SEQUENCE ADQQTGAENL RILISDFGLC KKLDSGQXXF RXNLNNPSGT SGWRAPELLE DATA SEQUENCE ESXXXXXXXX XXXXXXXXXX XXXXXXXXXX TKRRLTRSID IFSMGCVFYY DATA SEQUENCE ILSKGKHPFG DKYSRESNII RGIFSLDEMK CLHDRSLIAE ATDLISQMID DATA SEQUENCE HDPLKRPTAM KVLRHPLFWP KSKKLEFLLK VSDRLEIENR DPPSALLMKF DATA SEQUENCE DAGSDFVIPS GDWTVKFDKT FMDNLERYRK YHSSKLMDLL RALRNKYHHF DATA SEQUENCE MDLPEDIAEL MGPVPDGFYD YFTKRFPNLL IGVYMIVKEN LSDDQILREF DATA SEQUENCE LYS 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 663 I HA 0.000 nan 4.170 nan 0.000 0.288 663 I C 0.000 176.100 176.117 -0.029 0.000 1.063 663 I CA 0.000 61.346 61.300 0.076 0.000 1.566 663 I CB 0.000 38.037 38.000 0.062 0.000 1.214 664 P HA -0.073 nan 4.420 nan 0.000 0.258 664 P C 0.052 177.057 177.300 -0.490 0.000 1.136 664 P CA 1.012 64.057 63.100 -0.091 0.000 0.761 664 P CB 0.132 31.938 31.700 0.176 0.000 0.724 665 N N 2.439 120.926 118.700 -0.354 0.000 2.314 665 N HA 0.053 4.795 4.740 0.004 0.000 0.200 665 N C -0.442 174.862 175.510 -0.344 0.000 1.135 665 N CA -0.091 52.711 53.050 -0.415 0.000 0.835 665 N CB -0.107 38.308 38.487 -0.120 0.000 0.989 665 N HN 0.368 nan 8.380 nan 0.000 0.478 666 F N 0.105 120.039 119.950 -0.026 0.000 3.058 666 F HA -0.148 4.382 4.527 0.005 0.000 0.295 666 F C 0.359 176.144 175.800 -0.024 0.000 0.875 666 F CA 0.105 58.073 58.000 -0.053 0.000 1.150 666 F CB -2.339 36.550 39.000 -0.184 0.000 1.175 666 F HN 0.025 nan 8.300 nan 0.000 0.599 667 E N 0.034 120.306 120.200 0.121 0.000 2.320 667 E HA 0.111 4.464 4.350 0.004 0.000 0.189 667 E C 0.532 177.190 176.600 0.096 0.000 1.100 667 E CA 0.191 56.642 56.400 0.086 0.000 1.009 667 E CB -0.068 29.665 29.700 0.055 0.000 1.145 667 E HN 0.360 nan 8.360 nan 0.000 0.454 668 Q N 0.200 120.083 119.800 0.138 0.000 2.288 668 Q HA 0.194 4.536 4.340 0.004 0.000 0.254 668 Q C -0.209 175.837 176.000 0.075 0.000 0.932 668 Q CA -0.320 55.566 55.803 0.138 0.000 0.902 668 Q CB 1.112 29.993 28.738 0.238 0.000 1.203 668 Q HN 0.104 nan 8.270 nan 0.000 0.415 669 S N 2.695 118.432 115.700 0.062 0.000 2.714 669 S HA 0.053 4.525 4.470 0.004 0.000 0.318 669 S C 0.209 174.823 174.600 0.025 0.000 1.219 669 S CA 0.007 58.228 58.200 0.035 0.000 1.175 669 S CB -0.031 63.189 63.200 0.035 0.000 0.961 669 S HN 0.680 nan 8.310 nan 0.000 0.518 670 L N 1.754 122.970 121.223 -0.012 0.000 3.327 670 L HA 0.301 4.643 4.340 0.004 0.000 0.168 670 L C 0.451 177.283 176.870 -0.063 0.000 1.196 670 L CA -0.417 54.389 54.840 -0.057 0.000 0.848 670 L CB -0.081 41.895 42.059 -0.138 0.000 1.459 670 L HN 0.642 nan 8.230 nan 0.000 0.574 671 K N 1.420 121.773 120.400 -0.079 0.000 2.361 671 K HA -0.007 4.316 4.320 0.004 0.000 0.283 671 K C -0.073 176.490 176.600 -0.062 0.000 1.078 671 K CA 0.509 56.742 56.287 -0.089 0.000 1.041 671 K CB -0.585 31.853 32.500 -0.102 0.000 0.932 671 K HN 0.407 nan 8.250 nan 0.000 0.462 672 N N 3.540 122.215 118.700 -0.041 0.000 2.238 672 N HA 0.152 4.894 4.740 0.004 0.000 0.222 672 N C -0.617 174.878 175.510 -0.026 0.000 1.133 672 N CA -0.725 52.300 53.050 -0.042 0.000 0.854 672 N CB 0.390 38.882 38.487 0.008 0.000 1.041 672 N HN 0.499 nan 8.380 nan 0.000 0.510 673 L N -0.092 121.108 121.223 -0.039 0.000 2.795 673 L HA 0.402 4.745 4.340 0.004 0.000 0.260 673 L C -1.735 175.055 176.870 -0.133 0.000 0.935 673 L CA -0.804 54.032 54.840 -0.006 0.000 0.985 673 L CB 1.581 43.683 42.059 0.072 0.000 1.433 673 L HN -0.180 nan 8.230 nan 0.000 0.447 674 V N 4.917 124.752 119.914 -0.131 0.000 2.644 674 V HA 0.592 4.714 4.120 0.004 0.000 0.295 674 V C -0.305 175.641 176.094 -0.248 0.000 1.053 674 V CA -0.246 61.945 62.300 -0.181 0.000 0.987 674 V CB 1.958 33.705 31.823 -0.127 0.000 1.006 674 V HN 0.514 nan 8.190 nan 0.000 0.472 675 V N 3.994 123.695 119.914 -0.354 0.000 2.577 675 V HA 0.505 4.627 4.120 0.004 0.000 0.303 675 V C 0.159 176.064 176.094 -0.315 0.000 1.042 675 V CA -0.419 61.583 62.300 -0.497 0.000 0.872 675 V CB 1.874 33.002 31.823 -1.157 0.000 0.998 675 V HN 0.995 nan 8.190 nan 0.000 0.423 676 S N 3.261 118.887 115.700 -0.124 0.000 2.607 676 S HA 0.438 4.910 4.470 0.004 0.000 0.272 676 S C 0.471 175.217 174.600 0.245 0.000 1.166 676 S CA -0.322 57.907 58.200 0.050 0.000 1.021 676 S CB 1.118 64.355 63.200 0.061 0.000 1.113 676 S HN 0.626 nan 8.310 nan 0.000 0.531 677 E N -0.385 119.978 120.200 0.271 0.000 2.460 677 E HA 0.198 4.550 4.350 0.004 0.000 0.200 677 E C -0.048 176.756 176.600 0.340 0.000 1.011 677 E CA 0.064 56.690 56.400 0.377 0.000 0.912 677 E CB -0.285 29.547 29.700 0.220 0.000 0.953 677 E HN 0.614 nan 8.360 nan 0.000 0.494 678 K N 2.063 122.596 120.400 0.222 0.000 2.402 678 K HA 0.017 4.339 4.320 0.004 0.000 0.279 678 K C -0.323 176.305 176.600 0.046 0.000 1.082 678 K CA 0.223 56.577 56.287 0.112 0.000 1.080 678 K CB -0.418 32.126 32.500 0.073 0.000 0.899 678 K HN -0.087 nan 8.250 nan 0.000 0.469 679 I N 6.835 127.342 120.570 -0.105 0.000 2.395 679 I HA 0.031 4.204 4.170 0.004 0.000 0.289 679 I C 0.980 176.938 176.117 -0.265 0.000 1.023 679 I CA -0.407 60.659 61.300 -0.391 0.000 1.350 679 I CB 0.944 38.635 38.000 -0.515 0.000 1.409 679 I HN 0.630 nan 8.210 nan 0.000 0.507 680 L N 5.074 126.125 121.223 -0.287 0.000 2.316 680 L HA 0.403 4.745 4.340 0.004 0.000 0.207 680 L C 1.014 177.787 176.870 -0.162 0.000 1.070 680 L CA 0.169 54.914 54.840 -0.158 0.000 0.820 680 L CB -0.099 41.904 42.059 -0.094 0.000 0.992 680 L HN 0.794 nan 8.230 nan 0.000 0.466 681 G N -2.120 106.516 108.800 -0.273 0.000 2.547 681 G HA2 0.439 4.402 3.960 0.004 0.000 0.291 681 G HA3 0.439 4.402 3.960 0.004 0.000 0.291 681 G C -2.061 172.645 174.900 -0.323 0.000 1.471 681 G CA -0.551 44.437 45.100 -0.186 0.000 0.798 681 G HN -0.214 nan 8.290 nan 0.000 0.504 682 Y N -0.655 119.604 120.300 -0.069 0.000 2.596 682 Y HA 0.773 5.326 4.550 0.004 0.000 0.326 682 Y C 0.985 176.861 175.900 -0.039 0.000 1.167 682 Y CA 0.137 58.202 58.100 -0.057 0.000 1.246 682 Y CB 2.431 40.866 38.460 -0.041 0.000 1.347 682 Y HN 0.842 nan 8.280 nan 0.000 0.515 683 G N -0.543 108.341 108.800 0.140 0.000 2.704 683 G HA2 0.435 4.398 3.960 0.004 0.000 0.293 683 G HA3 0.435 4.398 3.960 0.004 0.000 0.293 683 G C -1.391 173.522 174.900 0.021 0.000 1.421 683 G CA -1.141 43.988 45.100 0.048 0.000 0.870 683 G HN 0.689 nan 8.290 nan 0.000 0.492 684 S N 0.010 115.694 115.700 -0.027 0.000 2.563 684 S HA 0.356 4.828 4.470 0.004 0.000 0.294 684 S C 0.798 175.328 174.600 -0.116 0.000 1.279 684 S CA 0.667 58.835 58.200 -0.053 0.000 1.069 684 S CB 0.692 63.851 63.200 -0.069 0.000 0.828 684 S HN 1.900 nan 8.310 nan 0.000 0.497 685 S N 1.983 117.654 115.700 -0.048 0.000 3.929 685 S HA -0.023 4.450 4.470 0.004 0.000 0.351 685 S C 1.189 175.828 174.600 0.065 0.000 1.021 685 S CA 0.776 58.968 58.200 -0.014 0.000 1.049 685 S CB -2.074 60.971 63.200 -0.258 0.000 0.872 685 S HN 2.497 nan 8.310 nan 0.000 0.479 686 G N -0.491 108.374 108.800 0.109 0.000 2.189 686 G HA2 -0.340 3.622 3.960 0.004 0.000 0.267 686 G HA3 -0.340 3.622 3.960 0.004 0.000 0.267 686 G C 0.142 175.151 174.900 0.181 0.000 0.975 686 G CA 0.510 45.718 45.100 0.179 0.000 0.644 686 G HN 1.142 nan 8.290 nan 0.000 0.537 687 T N 0.478 115.083 114.554 0.084 0.000 2.930 687 T HA 0.480 4.832 4.350 0.004 0.000 0.306 687 T C 0.208 174.956 174.700 0.081 0.000 1.045 687 T CA 0.550 62.688 62.100 0.064 0.000 1.134 687 T CB 2.256 71.102 68.868 -0.036 0.000 0.961 687 T HN 0.836 nan 8.240 nan 0.000 0.545 688 V N 2.806 122.764 119.914 0.074 0.000 2.932 688 V HA 0.424 4.547 4.120 0.004 0.000 0.307 688 V C -0.417 175.638 176.094 -0.065 0.000 1.147 688 V CA -0.994 61.267 62.300 -0.066 0.000 0.951 688 V CB 2.341 34.119 31.823 -0.075 0.000 1.031 688 V HN 0.690 nan 8.190 nan 0.000 0.426 689 V N 3.976 123.714 119.914 -0.294 0.000 2.435 689 V HA 0.635 4.757 4.120 0.004 0.000 0.290 689 V C -0.851 175.022 176.094 -0.369 0.000 1.030 689 V CA -0.297 61.910 62.300 -0.156 0.000 0.881 689 V CB 1.425 33.185 31.823 -0.105 0.000 0.983 689 V HN 0.673 nan 8.190 nan 0.000 0.445 690 F N 1.781 121.717 119.950 -0.022 0.000 2.577 690 F HA 0.516 5.045 4.527 0.004 0.000 0.318 690 F C 0.276 176.053 175.800 -0.039 0.000 1.065 690 F CA -0.680 57.310 58.000 -0.017 0.000 0.929 690 F CB 1.812 40.813 39.000 0.001 0.000 1.237 690 F HN 0.382 nan 8.300 nan 0.000 0.468 691 Q N 0.697 120.582 119.800 0.141 0.000 2.312 691 Q HA 0.658 5.000 4.340 0.004 0.000 0.236 691 Q C -0.332 175.690 176.000 0.035 0.000 0.965 691 Q CA -0.190 55.651 55.803 0.064 0.000 0.894 691 Q CB 1.510 30.273 28.738 0.041 0.000 1.225 691 Q HN 0.974 nan 8.270 nan 0.000 0.478 692 G N 0.591 109.385 108.800 -0.010 0.000 2.361 692 G HA2 0.223 4.185 3.960 0.004 0.000 0.299 692 G HA3 0.223 4.185 3.960 0.004 0.000 0.299 692 G C -1.369 173.499 174.900 -0.054 0.000 1.544 692 G CA -0.230 44.838 45.100 -0.053 0.000 0.860 692 G HN 0.670 nan 8.290 nan 0.000 0.610 693 S N -0.334 115.330 115.700 -0.061 0.000 2.672 693 S HA 0.804 5.277 4.470 0.004 0.000 0.276 693 S C 0.539 175.140 174.600 0.001 0.000 1.207 693 S CA -0.197 57.972 58.200 -0.050 0.000 1.002 693 S CB 1.941 65.100 63.200 -0.068 0.000 0.998 693 S HN 1.160 nan 8.310 nan 0.000 0.542 694 F N 1.064 120.907 119.950 -0.179 0.000 2.435 694 F HA 0.379 4.908 4.527 0.004 0.000 0.227 694 F C 1.900 177.620 175.800 -0.134 0.000 1.040 694 F CA -0.291 57.608 58.000 -0.169 0.000 1.025 694 F CB -0.043 38.825 39.000 -0.221 0.000 1.256 694 F HN 0.605 nan 8.300 nan 0.000 0.664 695 Q N 0.589 119.959 119.800 -0.716 0.000 2.253 695 Q HA 0.256 4.598 4.340 0.004 0.000 0.210 695 Q C 0.498 176.324 176.000 -0.290 0.000 0.907 695 Q CA 0.607 56.011 55.803 -0.665 0.000 0.948 695 Q CB 0.061 28.426 28.738 -0.621 0.000 1.033 695 Q HN 0.804 nan 8.270 nan 0.000 0.471 696 G N 0.185 108.865 108.800 -0.201 0.000 2.176 696 G HA2 -0.269 3.693 3.960 0.004 0.000 0.232 696 G HA3 -0.269 3.693 3.960 0.004 0.000 0.232 696 G C -0.211 174.630 174.900 -0.099 0.000 0.986 696 G CA -0.224 44.799 45.100 -0.127 0.000 0.643 696 G HN 0.352 nan 8.290 nan 0.000 0.522 697 R N 1.119 121.562 120.500 -0.096 0.000 2.265 697 R HA 0.448 4.791 4.340 0.004 0.000 0.314 697 R C -2.708 173.518 176.300 -0.122 0.000 1.053 697 R CA -1.720 54.315 56.100 -0.108 0.000 0.931 697 R CB 0.707 30.922 30.300 -0.141 0.000 1.024 697 R HN 0.106 nan 8.270 nan 0.000 0.457 698 P HA -0.009 nan 4.420 nan 0.000 0.271 698 P C -0.651 176.578 177.300 -0.118 0.000 1.220 698 P CA -0.159 62.889 63.100 -0.087 0.000 0.768 698 P CB 0.918 32.584 31.700 -0.057 0.000 0.848 699 V N 0.076 119.936 119.914 -0.091 0.000 3.188 699 V HA 0.907 5.029 4.120 0.004 0.000 0.305 699 V C -0.834 175.255 176.094 -0.009 0.000 1.232 699 V CA -1.528 60.724 62.300 -0.080 0.000 1.043 699 V CB 1.717 33.437 31.823 -0.171 0.000 1.068 699 V HN 0.527 nan 8.190 nan 0.000 0.439 700 A N 1.470 124.311 122.820 0.035 0.000 2.302 700 A HA 0.866 5.189 4.320 0.004 0.000 0.285 700 A C -0.383 177.241 177.584 0.068 0.000 1.105 700 A CA -0.524 51.545 52.037 0.054 0.000 0.816 700 A CB 1.214 20.252 19.000 0.064 0.000 1.067 700 A HN 1.742 nan 8.150 nan 0.000 0.489 701 V N 2.310 122.282 119.914 0.098 0.000 2.488 701 V HA 0.283 4.406 4.120 0.004 0.000 0.293 701 V C 0.003 176.207 176.094 0.184 0.000 1.027 701 V CA -0.727 61.651 62.300 0.130 0.000 0.862 701 V CB 1.215 33.097 31.823 0.098 0.000 1.008 701 V HN 0.979 nan 8.190 nan 0.000 0.428 702 K N 4.186 124.673 120.400 0.145 0.000 2.270 702 K HA 0.478 4.801 4.320 0.004 0.000 0.276 702 K C -0.035 176.628 176.600 0.106 0.000 1.023 702 K CA -0.486 55.873 56.287 0.120 0.000 0.955 702 K CB 0.815 33.366 32.500 0.085 0.000 0.975 702 K HN 0.674 nan 8.250 nan 0.000 0.471 703 R N 6.134 126.683 120.500 0.082 0.000 2.472 703 R HA 0.238 4.580 4.340 0.004 0.000 0.294 703 R C -0.877 175.436 176.300 0.022 0.000 1.243 703 R CA -0.396 55.652 56.100 -0.086 0.000 1.023 703 R CB 0.575 30.791 30.300 -0.140 0.000 1.157 703 R HN 0.669 nan 8.270 nan 0.000 0.530 704 M N 3.345 122.988 119.600 0.071 0.000 2.573 704 M HA 0.352 4.835 4.480 0.004 0.000 0.309 704 M C -0.420 176.096 176.300 0.361 0.000 1.202 704 M CA -1.218 54.204 55.300 0.203 0.000 0.975 704 M CB 1.138 33.833 32.600 0.158 0.000 1.600 704 M HN 0.170 nan 8.290 nan 0.000 0.479 705 L N 1.199 122.704 121.223 0.471 0.000 2.417 705 L HA 0.166 4.508 4.340 0.004 0.000 0.268 705 L C 1.337 178.303 176.870 0.160 0.000 1.158 705 L CA 0.561 55.574 54.840 0.289 0.000 0.819 705 L CB 0.166 42.362 42.059 0.229 0.000 1.112 705 L HN 0.706 nan 8.230 nan 0.000 0.458 706 I N 0.815 121.390 120.570 0.008 0.000 2.623 706 I HA -0.297 3.875 4.170 0.004 0.000 0.261 706 I C 1.078 177.158 176.117 -0.063 0.000 1.204 706 I CA 1.127 62.422 61.300 -0.007 0.000 1.444 706 I CB 0.100 38.074 38.000 -0.044 0.000 1.094 706 I HN 0.807 nan 8.210 nan 0.000 0.451 707 D N 0.415 120.698 120.400 -0.195 0.000 2.144 707 D HA -0.154 4.488 4.640 0.004 0.000 0.200 707 D C 1.419 177.508 176.300 -0.352 0.000 0.978 707 D CA 1.349 55.139 54.000 -0.349 0.000 0.833 707 D CB -0.204 40.254 40.800 -0.570 0.000 0.961 707 D HN 0.346 nan 8.370 nan 0.000 0.470 708 F N 0.372 120.331 119.950 0.015 0.000 2.725 708 F HA 0.108 4.637 4.527 0.004 0.000 0.303 708 F C 2.009 177.819 175.800 0.017 0.000 1.167 708 F CA -0.535 57.476 58.000 0.018 0.000 1.403 708 F CB -0.894 38.122 39.000 0.027 0.000 1.077 708 F HN 0.075 nan 8.300 nan 0.000 0.537 709 C N 0.853 120.218 119.300 0.108 0.000 2.369 709 C HA -0.313 4.150 4.460 0.004 0.000 0.273 709 C C 2.662 177.696 174.990 0.073 0.000 1.172 709 C CA 2.261 61.327 59.018 0.079 0.000 1.791 709 C CB -0.803 26.958 27.740 0.035 0.000 2.086 709 C HN 0.499 nan 8.230 nan 0.000 0.459 710 D N 0.767 121.205 120.400 0.064 0.000 2.092 710 D HA -0.146 4.497 4.640 0.004 0.000 0.193 710 D C 1.876 178.211 176.300 0.057 0.000 0.994 710 D CA 2.041 56.071 54.000 0.050 0.000 0.828 710 D CB -0.759 40.066 40.800 0.042 0.000 0.963 710 D HN 0.761 nan 8.370 nan 0.000 0.450 711 I N -0.706 119.919 120.570 0.091 0.000 2.614 711 I HA -0.034 4.139 4.170 0.004 0.000 0.258 711 I C 1.990 178.137 176.117 0.050 0.000 1.189 711 I CA 1.191 62.534 61.300 0.072 0.000 1.462 711 I CB -0.257 37.801 38.000 0.097 0.000 1.092 711 I HN -0.105 nan 8.210 nan 0.000 0.442 712 A N 0.817 123.676 122.820 0.066 0.000 1.929 712 A HA 0.037 4.359 4.320 0.004 0.000 0.216 712 A C 2.026 179.607 177.584 -0.005 0.000 1.176 712 A CA 1.368 53.428 52.037 0.038 0.000 0.628 712 A CB -0.833 18.208 19.000 0.068 0.000 0.816 712 A HN 0.448 nan 8.150 nan 0.000 0.444 713 L N -1.477 119.747 121.223 0.003 0.000 2.141 713 L HA -0.089 4.253 4.340 0.004 0.000 0.209 713 L C 2.486 179.330 176.870 -0.044 0.000 1.094 713 L CA 1.895 56.720 54.840 -0.024 0.000 0.763 713 L CB -0.791 41.266 42.059 -0.004 0.000 0.908 713 L HN 0.441 nan 8.230 nan 0.000 0.437 714 M N -0.277 119.311 119.600 -0.021 0.000 2.086 714 M HA -0.213 4.270 4.480 0.004 0.000 0.261 714 M C 2.267 178.544 176.300 -0.037 0.000 1.067 714 M CA 1.674 56.962 55.300 -0.021 0.000 1.116 714 M CB -0.448 32.151 32.600 -0.001 0.000 1.348 714 M HN 0.325 nan 8.290 nan 0.000 0.407 715 E N -0.226 119.953 120.200 -0.034 0.000 2.058 715 E HA -0.211 4.141 4.350 0.004 0.000 0.194 715 E C 1.876 178.360 176.600 -0.194 0.000 0.997 715 E CA 1.699 58.069 56.400 -0.048 0.000 0.801 715 E CB -0.104 29.585 29.700 -0.017 0.000 0.746 715 E HN 0.496 nan 8.360 nan 0.000 0.450 716 I N 1.550 121.973 120.570 -0.246 0.000 2.099 716 I HA -0.297 3.875 4.170 0.004 0.000 0.239 716 I C 2.618 178.526 176.117 -0.349 0.000 1.066 716 I CA 1.502 62.530 61.300 -0.453 0.000 1.324 716 I CB -1.295 36.472 38.000 -0.389 0.000 1.037 716 I HN 0.247 nan 8.210 nan 0.000 0.401 717 K N 1.431 121.715 120.400 -0.193 0.000 2.034 717 K HA -0.214 4.108 4.320 0.004 0.000 0.214 717 K C 2.236 178.765 176.600 -0.118 0.000 1.051 717 K CA 1.694 57.907 56.287 -0.124 0.000 0.931 717 K CB -0.210 32.249 32.500 -0.069 0.000 0.715 717 K HN 0.275 nan 8.250 nan 0.000 0.446 718 L N 0.857 122.017 121.223 -0.105 0.000 2.027 718 L HA -0.158 4.184 4.340 0.004 0.000 0.206 718 L C 2.630 179.402 176.870 -0.162 0.000 1.074 718 L CA 0.790 55.590 54.840 -0.067 0.000 0.745 718 L CB -0.423 41.663 42.059 0.045 0.000 0.898 718 L HN 0.244 nan 8.230 nan 0.000 0.433 719 L N -0.391 120.633 121.223 -0.332 0.000 2.127 719 L HA -0.229 4.114 4.340 0.004 0.000 0.211 719 L C 2.603 179.338 176.870 -0.225 0.000 1.089 719 L CA 1.511 56.086 54.840 -0.442 0.000 0.757 719 L CB -0.730 41.020 42.059 -0.515 0.000 0.899 719 L HN 0.352 nan 8.230 nan 0.000 0.434 720 T N -0.801 113.642 114.554 -0.184 0.000 2.788 720 T HA -0.182 4.171 4.350 0.004 0.000 0.268 720 T C 1.650 176.331 174.700 -0.031 0.000 1.044 720 T CA 1.292 63.351 62.100 -0.068 0.000 1.139 720 T CB -0.110 68.721 68.868 -0.061 0.000 0.867 720 T HN 0.464 nan 8.240 nan 0.000 0.454 721 E N 1.068 121.245 120.200 -0.038 0.000 2.152 721 E HA -0.056 4.297 4.350 0.004 0.000 0.192 721 E C 2.412 179.041 176.600 0.048 0.000 0.983 721 E CA 1.425 57.825 56.400 0.000 0.000 0.818 721 E CB 0.003 29.699 29.700 -0.007 0.000 0.758 721 E HN 0.591 nan 8.360 nan 0.000 0.467 722 S N 0.939 116.668 115.700 0.049 0.000 2.514 722 S HA -0.071 4.401 4.470 0.004 0.000 0.223 722 S C 1.541 176.206 174.600 0.109 0.000 1.046 722 S CA 0.360 58.672 58.200 0.186 0.000 0.914 722 S CB -0.048 63.276 63.200 0.207 0.000 0.807 722 S HN 0.179 nan 8.310 nan 0.000 0.497 723 D N 2.826 123.215 120.400 -0.017 0.000 2.280 723 D HA -0.255 4.388 4.640 0.004 0.000 0.206 723 D C 1.229 177.499 176.300 -0.049 0.000 0.988 723 D CA 1.651 55.615 54.000 -0.060 0.000 0.886 723 D CB -0.927 39.813 40.800 -0.101 0.000 0.914 723 D HN 0.522 nan 8.370 nan 0.000 0.473 724 D N -0.557 119.828 120.400 -0.024 0.000 2.182 724 D HA -0.230 4.413 4.640 0.004 0.000 0.201 724 D C 0.634 176.885 176.300 -0.082 0.000 0.986 724 D CA 0.811 54.786 54.000 -0.041 0.000 0.847 724 D CB -0.345 40.452 40.800 -0.006 0.000 0.942 724 D HN 0.418 nan 8.370 nan 0.000 0.467 725 H N -0.083 118.837 119.070 -0.249 0.000 3.038 725 H HA 0.002 4.561 4.556 0.004 0.000 0.338 725 H C -1.406 173.785 175.328 -0.227 0.000 1.041 725 H CA -0.592 55.236 56.048 -0.367 0.000 1.394 725 H CB 1.024 30.327 29.762 -0.765 0.000 1.357 725 H HN -0.003 nan 8.280 nan 0.000 0.600 726 P HA -0.180 nan 4.420 nan 0.000 0.216 726 P C 0.371 177.494 177.300 -0.294 0.000 1.150 726 P CA 1.365 64.212 63.100 -0.422 0.000 0.837 726 P CB 0.419 31.841 31.700 -0.462 0.000 0.786 727 N N -0.600 118.021 118.700 -0.133 0.000 2.336 727 N HA 0.062 4.805 4.740 0.004 0.000 0.189 727 N C 0.087 175.660 175.510 0.105 0.000 1.113 727 N CA 0.212 53.296 53.050 0.056 0.000 0.858 727 N CB 0.515 39.097 38.487 0.158 0.000 0.970 727 N HN 0.078 nan 8.380 nan 0.000 0.471 728 V N 2.084 122.070 119.914 0.121 0.000 2.427 728 V HA 0.244 4.366 4.120 0.004 0.000 0.286 728 V C 0.669 176.765 176.094 0.004 0.000 1.034 728 V CA -0.965 61.389 62.300 0.090 0.000 0.893 728 V CB 2.471 34.358 31.823 0.108 0.000 0.982 728 V HN 0.091 nan 8.190 nan 0.000 0.452 729 I N 4.877 125.463 120.570 0.025 0.000 2.683 729 I HA 0.079 4.251 4.170 0.004 0.000 0.286 729 I C 0.756 176.834 176.117 -0.065 0.000 1.175 729 I CA 0.362 61.658 61.300 -0.007 0.000 1.429 729 I CB 0.417 38.449 38.000 0.053 0.000 1.371 729 I HN 0.742 nan 8.210 nan 0.000 0.569 730 R N 7.298 127.750 120.500 -0.079 0.000 2.265 730 R HA 0.104 4.446 4.340 0.004 0.000 0.314 730 R C -1.223 174.937 176.300 -0.234 0.000 1.053 730 R CA -0.448 55.534 56.100 -0.197 0.000 0.931 730 R CB 0.604 30.727 30.300 -0.296 0.000 1.024 730 R HN 0.587 nan 8.270 nan 0.000 0.457 731 Y N 4.781 124.877 120.300 -0.340 0.000 2.327 731 Y HA 0.129 4.681 4.550 0.004 0.000 0.336 731 Y C -0.583 175.091 175.900 -0.376 0.000 1.035 731 Y CA -0.163 57.775 58.100 -0.269 0.000 1.165 731 Y CB 0.748 39.087 38.460 -0.202 0.000 1.181 731 Y HN 0.697 nan 8.280 nan 0.000 0.494 732 Y N 4.306 124.138 120.300 -0.781 0.000 2.314 732 Y HA 0.160 4.712 4.550 0.004 0.000 0.294 732 Y C 1.186 176.363 175.900 -1.205 0.000 1.139 732 Y CA 0.976 58.570 58.100 -0.843 0.000 1.162 732 Y CB 0.359 38.417 38.460 -0.670 0.000 1.121 732 Y HN 0.791 nan 8.280 nan 0.000 0.529 733 C N -1.862 116.801 119.300 -1.063 0.000 3.233 733 C HA 0.744 5.207 4.460 0.004 0.000 0.358 733 C C -0.751 174.162 174.990 -0.129 0.000 1.461 733 C CA -0.556 58.052 59.018 -0.685 0.000 1.180 733 C CB 0.987 28.407 27.740 -0.535 0.000 1.604 733 C HN 0.379 nan 8.230 nan 0.000 0.437 734 S N -0.178 115.575 115.700 0.089 0.000 2.720 734 S HA 0.899 5.372 4.470 0.004 0.000 0.287 734 S C -1.309 173.380 174.600 0.148 0.000 1.168 734 S CA -0.204 58.105 58.200 0.183 0.000 0.832 734 S CB 1.949 65.299 63.200 0.249 0.000 1.166 734 S HN 1.439 nan 8.310 nan 0.000 0.493 735 E N -0.487 119.824 120.200 0.184 0.000 2.451 735 E HA 0.367 4.719 4.350 0.004 0.000 0.295 735 E C -1.894 174.846 176.600 0.234 0.000 0.966 735 E CA -0.409 56.098 56.400 0.178 0.000 0.808 735 E CB 1.846 31.629 29.700 0.138 0.000 1.242 735 E HN 0.675 nan 8.360 nan 0.000 0.412 736 T N 3.109 117.771 114.554 0.181 0.000 2.801 736 T HA 0.254 4.606 4.350 0.004 0.000 0.306 736 T C -0.238 174.570 174.700 0.180 0.000 1.020 736 T CA -0.287 61.920 62.100 0.177 0.000 0.948 736 T CB 1.123 70.063 68.868 0.119 0.000 0.962 736 T HN 0.390 nan 8.240 nan 0.000 0.465 737 T N 1.710 116.415 114.554 0.251 0.000 2.909 737 T HA 0.200 4.552 4.350 0.004 0.000 0.286 737 T C 0.834 175.622 174.700 0.148 0.000 1.002 737 T CA -0.946 61.286 62.100 0.219 0.000 1.074 737 T CB 0.594 69.665 68.868 0.338 0.000 0.984 737 T HN 0.591 nan 8.240 nan 0.000 0.495 738 D N 2.993 123.450 120.400 0.094 0.000 2.396 738 D HA 0.053 4.695 4.640 0.004 0.000 0.255 738 D C 1.019 177.319 176.300 -0.001 0.000 1.224 738 D CA 0.150 54.174 54.000 0.041 0.000 0.894 738 D CB -0.142 40.674 40.800 0.028 0.000 0.939 738 D HN 0.617 nan 8.370 nan 0.000 0.506 739 R N -2.017 118.484 120.500 0.001 0.000 2.702 739 R HA 0.268 4.611 4.340 0.004 0.000 0.223 739 R C -0.281 175.778 176.300 -0.401 0.000 0.953 739 R CA -0.032 55.967 56.100 -0.169 0.000 1.068 739 R CB 0.636 30.885 30.300 -0.084 0.000 1.600 739 R HN 0.034 nan 8.270 nan 0.000 0.602 740 F N -0.741 119.224 119.950 0.026 0.000 3.456 740 F HA 0.559 5.088 4.527 0.003 0.000 0.329 740 F C -1.633 174.117 175.800 -0.084 0.000 1.251 740 F CA -1.004 56.950 58.000 -0.078 0.000 0.964 740 F CB 1.043 39.880 39.000 -0.270 0.000 1.587 740 F HN -0.308 nan 8.300 nan 0.000 0.522 741 L N 1.279 122.529 121.223 0.045 0.000 2.845 741 L HA 0.381 4.724 4.340 0.004 0.000 0.253 741 L C -2.158 174.655 176.870 -0.094 0.000 0.959 741 L CA -0.426 54.435 54.840 0.035 0.000 1.001 741 L CB 0.325 42.444 42.059 0.101 0.000 1.374 741 L HN 0.412 nan 8.230 nan 0.000 0.469 742 Y N 5.072 125.442 120.300 0.117 0.000 2.334 742 Y HA 0.752 5.304 4.550 0.004 0.000 0.328 742 Y C 0.372 176.317 175.900 0.075 0.000 1.130 742 Y CA -0.452 57.684 58.100 0.060 0.000 1.163 742 Y CB 1.575 40.032 38.460 -0.006 0.000 1.207 742 Y HN 0.366 nan 8.280 nan 0.000 0.471 743 I N 2.516 123.217 120.570 0.217 0.000 2.534 743 I HA 0.473 4.645 4.170 0.004 0.000 0.286 743 I C -0.711 175.501 176.117 0.158 0.000 1.094 743 I CA -0.999 60.418 61.300 0.195 0.000 1.055 743 I CB 1.631 39.730 38.000 0.165 0.000 1.225 743 I HN 0.661 nan 8.210 nan 0.000 0.435 744 A N 7.873 130.753 122.820 0.099 0.000 2.331 744 A HA 0.898 5.220 4.320 0.004 0.000 0.283 744 A C -0.553 177.102 177.584 0.120 0.000 1.142 744 A CA -0.009 52.045 52.037 0.029 0.000 0.812 744 A CB 0.614 19.519 19.000 -0.158 0.000 1.074 744 A HN 0.728 nan 8.150 nan 0.000 0.497 745 L N 0.727 122.051 121.223 0.168 0.000 2.491 745 L HA 0.399 4.741 4.340 0.004 0.000 0.254 745 L C -0.162 176.875 176.870 0.278 0.000 1.048 745 L CA -1.172 53.803 54.840 0.226 0.000 0.855 745 L CB 1.370 43.518 42.059 0.149 0.000 1.466 745 L HN 0.582 nan 8.230 nan 0.000 0.409 746 E N 1.583 121.957 120.200 0.290 0.000 2.502 746 E HA 0.022 4.375 4.350 0.004 0.000 0.261 746 E C -0.734 175.972 176.600 0.176 0.000 0.974 746 E CA 0.041 56.620 56.400 0.299 0.000 0.936 746 E CB 0.816 30.649 29.700 0.222 0.000 0.926 746 E HN 0.202 nan 8.360 nan 0.000 0.459 747 L N 3.934 125.245 121.223 0.147 0.000 2.292 747 L HA 0.201 4.543 4.340 0.004 0.000 0.284 747 L C -0.929 176.005 176.870 0.106 0.000 1.065 747 L CA -0.313 54.583 54.840 0.093 0.000 0.806 747 L CB 0.881 42.969 42.059 0.049 0.000 1.175 747 L HN 0.472 nan 8.230 nan 0.000 0.431 748 C N 4.895 124.243 119.300 0.079 0.000 2.397 748 C HA 0.338 4.800 4.460 0.004 0.000 0.325 748 C C 1.381 176.401 174.990 0.050 0.000 1.201 748 C CA -0.955 58.109 59.018 0.077 0.000 1.377 748 C CB 1.145 28.926 27.740 0.069 0.000 2.038 748 C HN 0.925 nan 8.230 nan 0.000 0.457 749 N N 2.977 121.706 118.700 0.048 0.000 2.334 749 N HA -0.139 4.603 4.740 0.004 0.000 0.187 749 N C 0.234 175.758 175.510 0.022 0.000 1.016 749 N CA 1.324 54.392 53.050 0.030 0.000 0.879 749 N CB -0.250 38.254 38.487 0.028 0.000 0.965 749 N HN 0.858 nan 8.380 nan 0.000 0.438 750 L N -4.296 116.942 121.223 0.026 0.000 2.866 750 L HA 0.460 4.802 4.340 0.004 0.000 0.262 750 L C -1.531 175.352 176.870 0.022 0.000 0.986 750 L CA -1.268 53.583 54.840 0.019 0.000 0.925 750 L CB 1.272 43.337 42.059 0.011 0.000 1.484 750 L HN -0.063 nan 8.230 nan 0.000 0.414 751 N N 1.128 119.841 118.700 0.021 0.000 2.566 751 N HA 0.332 5.074 4.740 0.004 0.000 0.299 751 N C 0.405 175.933 175.510 0.030 0.000 1.277 751 N CA -0.499 52.565 53.050 0.022 0.000 0.965 751 N CB 0.485 38.982 38.487 0.016 0.000 1.142 751 N HN 0.827 nan 8.380 nan 0.000 0.596 752 L N -0.381 120.866 121.223 0.040 0.000 2.005 752 L HA -0.040 4.302 4.340 0.004 0.000 0.207 752 L C 2.530 179.474 176.870 0.122 0.000 1.072 752 L CA 1.800 56.685 54.840 0.076 0.000 0.744 752 L CB -1.252 40.862 42.059 0.092 0.000 0.895 752 L HN 0.808 nan 8.230 nan 0.000 0.433 753 Q N -0.647 119.241 119.800 0.146 0.000 2.096 753 Q HA -0.289 4.053 4.340 0.004 0.000 0.208 753 Q C 1.766 177.842 176.000 0.126 0.000 0.993 753 Q CA 2.426 58.356 55.803 0.211 0.000 0.862 753 Q CB -0.167 28.650 28.738 0.131 0.000 0.915 753 Q HN 0.569 nan 8.270 nan 0.000 0.416 754 D N 0.430 120.871 120.400 0.068 0.000 2.116 754 D HA -0.195 4.448 4.640 0.004 0.000 0.193 754 D C 1.873 178.173 176.300 -0.000 0.000 0.998 754 D CA 1.191 55.211 54.000 0.034 0.000 0.836 754 D CB -0.401 40.412 40.800 0.022 0.000 0.951 754 D HN 0.290 nan 8.370 nan 0.000 0.449 755 L N 0.415 121.628 121.223 -0.017 0.000 2.046 755 L HA -0.124 4.218 4.340 0.004 0.000 0.208 755 L C 2.081 178.866 176.870 -0.142 0.000 1.077 755 L CA 1.409 56.193 54.840 -0.094 0.000 0.747 755 L CB -0.475 41.527 42.059 -0.096 0.000 0.896 755 L HN -0.086 nan 8.230 nan 0.000 0.432 756 V N -0.080 119.783 119.914 -0.084 0.000 2.283 756 V HA -0.186 3.936 4.120 0.004 0.000 0.243 756 V C 1.695 177.733 176.094 -0.095 0.000 1.039 756 V CA 1.822 64.041 62.300 -0.135 0.000 1.016 756 V CB -0.750 30.914 31.823 -0.265 0.000 0.650 756 V HN 0.483 nan 8.190 nan 0.000 0.449 757 E N 0.637 120.828 120.200 -0.014 0.000 2.303 757 E HA 0.169 4.522 4.350 0.004 0.000 0.211 757 E C 0.586 177.188 176.600 0.003 0.000 1.223 757 E CA -0.176 56.236 56.400 0.020 0.000 1.344 757 E CB 0.252 30.008 29.700 0.093 0.000 1.299 757 E HN 0.390 nan 8.360 nan 0.000 0.441 758 S N 2.149 117.829 115.700 -0.034 0.000 2.572 758 S HA 0.030 4.502 4.470 0.004 0.000 0.267 758 S C 0.719 175.307 174.600 -0.019 0.000 1.361 758 S CA 0.296 58.474 58.200 -0.037 0.000 1.009 758 S CB 0.414 63.568 63.200 -0.076 0.000 0.888 758 S HN 0.423 nan 8.310 nan 0.000 0.553 759 K N 1.015 121.407 120.400 -0.015 0.000 3.109 759 K HA 0.051 4.374 4.320 0.004 0.000 0.115 759 K C -0.614 175.984 176.600 -0.003 0.000 0.976 759 K CA 0.119 56.403 56.287 -0.005 0.000 1.044 759 K CB -1.648 30.855 32.500 0.005 0.000 0.724 759 K HN 0.659 nan 8.250 nan 0.000 0.350 760 N N -0.433 118.262 118.700 -0.008 0.000 3.132 760 N HA 0.052 4.795 4.740 0.004 0.000 0.292 760 N C 0.198 175.704 175.510 -0.007 0.000 0.904 760 N CA 0.962 54.010 53.050 -0.004 0.000 1.334 760 N CB -0.019 38.468 38.487 0.001 0.000 1.159 760 N HN -0.027 nan 8.380 nan 0.000 1.241 761 V N 0.129 120.037 119.914 -0.010 0.000 2.843 761 V HA 0.421 4.544 4.120 0.004 0.000 0.305 761 V C 1.405 177.491 176.094 -0.013 0.000 1.065 761 V CA 0.139 62.434 62.300 -0.010 0.000 1.116 761 V CB 1.150 32.968 31.823 -0.010 0.000 0.968 761 V HN 0.564 nan 8.190 nan 0.000 0.487 762 S N 0.580 116.275 115.700 -0.009 0.000 2.456 762 S HA -0.033 4.440 4.470 0.004 0.000 0.224 762 S C 1.374 175.969 174.600 -0.009 0.000 1.035 762 S CA 0.949 59.144 58.200 -0.008 0.000 0.940 762 S CB -0.207 62.990 63.200 -0.005 0.000 0.799 762 S HN 0.969 nan 8.310 nan 0.000 0.508 763 D N 1.612 122.008 120.400 -0.007 0.000 2.149 763 D HA -0.025 4.618 4.640 0.004 0.000 0.201 763 D C 1.822 178.116 176.300 -0.010 0.000 0.972 763 D CA 0.881 54.878 54.000 -0.006 0.000 0.835 763 D CB -0.200 40.598 40.800 -0.004 0.000 0.966 763 D HN 0.435 nan 8.370 nan 0.000 0.476 764 E N 0.454 120.644 120.200 -0.016 0.000 2.478 764 E HA -0.088 4.265 4.350 0.004 0.000 0.198 764 E C 1.373 177.948 176.600 -0.043 0.000 1.046 764 E CA 0.172 56.555 56.400 -0.028 0.000 0.870 764 E CB -0.156 29.525 29.700 -0.032 0.000 0.818 764 E HN 0.246 nan 8.360 nan 0.000 0.527 765 N N 1.413 120.094 118.700 -0.031 0.000 2.135 765 N HA -0.132 4.611 4.740 0.004 0.000 0.186 765 N C 1.641 177.136 175.510 -0.025 0.000 1.027 765 N CA 0.456 53.487 53.050 -0.032 0.000 0.849 765 N CB -0.237 38.238 38.487 -0.020 0.000 1.002 765 N HN 0.108 nan 8.380 nan 0.000 0.425 766 L N 0.340 121.556 121.223 -0.012 0.000 2.450 766 L HA -0.032 4.310 4.340 0.004 0.000 0.224 766 L C 1.838 178.713 176.870 0.008 0.000 1.149 766 L CA 1.322 56.163 54.840 0.002 0.000 0.816 766 L CB -0.427 41.635 42.059 0.005 0.000 0.932 766 L HN 0.033 nan 8.230 nan 0.000 0.449 767 K N -0.869 119.524 120.400 -0.012 0.000 1.975 767 K HA -0.038 4.285 4.320 0.004 0.000 0.210 767 K C 1.860 178.445 176.600 -0.026 0.000 1.041 767 K CA 1.528 57.807 56.287 -0.013 0.000 0.942 767 K CB -0.611 31.856 32.500 -0.056 0.000 0.729 767 K HN 0.133 nan 8.250 nan 0.000 0.439 768 L N 1.363 122.495 121.223 -0.153 0.000 2.013 768 L HA -0.239 4.104 4.340 0.004 0.000 0.212 768 L C 2.637 179.544 176.870 0.062 0.000 1.073 768 L CA 1.842 56.555 54.840 -0.212 0.000 0.753 768 L CB -0.726 41.204 42.059 -0.216 0.000 0.890 768 L HN 0.365 nan 8.230 nan 0.000 0.432 769 Q N -0.200 119.622 119.800 0.036 0.000 1.916 769 Q HA -0.203 4.140 4.340 0.004 0.000 0.203 769 Q C 2.058 178.104 176.000 0.076 0.000 0.983 769 Q CA 1.517 57.353 55.803 0.056 0.000 0.846 769 Q CB -0.005 28.747 28.738 0.024 0.000 0.909 769 Q HN 0.393 nan 8.270 nan 0.000 0.427 770 K N 0.028 120.463 120.400 0.058 0.000 2.011 770 K HA -0.169 4.154 4.320 0.004 0.000 0.215 770 K C 1.801 178.446 176.600 0.075 0.000 0.978 770 K CA 1.145 57.463 56.287 0.052 0.000 1.028 770 K CB -0.189 32.335 32.500 0.039 0.000 0.968 770 K HN 0.160 nan 8.250 nan 0.000 0.511 771 E N -0.021 120.226 120.200 0.078 0.000 1.989 771 E HA -0.224 4.129 4.350 0.004 0.000 0.214 771 E C 0.755 177.437 176.600 0.137 0.000 0.915 771 E CA 1.229 57.676 56.400 0.078 0.000 1.012 771 E CB -0.597 29.144 29.700 0.068 0.000 0.865 771 E HN 0.584 nan 8.360 nan 0.000 0.577 772 Y N 1.703 122.003 120.300 0.000 0.000 3.617 772 Y HA -0.312 4.241 4.550 0.004 0.000 0.215 772 Y C 0.054 175.949 175.900 -0.009 0.000 1.178 772 Y CA 0.885 58.981 58.100 -0.006 0.000 1.517 772 Y CB -2.193 36.261 38.460 -0.010 0.000 1.457 772 Y HN 0.315 nan 8.280 nan 0.000 0.615 773 N N 2.833 121.456 118.700 -0.128 0.000 2.394 773 N HA -0.048 4.695 4.740 0.004 0.000 0.282 773 N C -1.168 174.171 175.510 -0.285 0.000 1.351 773 N CA -0.129 52.807 53.050 -0.189 0.000 0.936 773 N CB 0.752 39.195 38.487 -0.073 0.000 1.274 773 N HN 0.298 nan 8.380 nan 0.000 0.489 774 P HA -0.186 nan 4.420 nan 0.000 0.216 774 P C 1.604 178.757 177.300 -0.244 0.000 1.150 774 P CA 1.167 63.999 63.100 -0.447 0.000 0.837 774 P CB 0.169 31.610 31.700 -0.431 0.000 0.786 775 I N -0.003 120.464 120.570 -0.172 0.000 2.264 775 I HA -0.199 3.974 4.170 0.004 0.000 0.248 775 I C 2.733 178.864 176.117 0.024 0.000 1.111 775 I CA 1.684 62.936 61.300 -0.080 0.000 1.382 775 I CB -0.992 36.973 38.000 -0.059 0.000 1.060 775 I HN 0.086 nan 8.210 nan 0.000 0.418 776 S N 1.172 116.860 115.700 -0.020 0.000 2.382 776 S HA -0.141 4.332 4.470 0.004 0.000 0.228 776 S C 1.969 176.550 174.600 -0.031 0.000 1.027 776 S CA 1.130 59.329 58.200 -0.002 0.000 0.991 776 S CB -0.096 63.097 63.200 -0.010 0.000 0.823 776 S HN 0.218 nan 8.310 nan 0.000 0.469 777 L N 1.035 122.217 121.223 -0.068 0.000 2.027 777 L HA 0.045 4.387 4.340 0.004 0.000 0.206 777 L C 2.273 179.076 176.870 -0.112 0.000 1.074 777 L CA 1.158 55.959 54.840 -0.064 0.000 0.745 777 L CB -0.960 41.068 42.059 -0.052 0.000 0.898 777 L HN 0.285 nan 8.230 nan 0.000 0.433 778 L N -0.643 120.448 121.223 -0.221 0.000 2.013 778 L HA -0.239 4.103 4.340 0.004 0.000 0.212 778 L C 2.708 179.466 176.870 -0.186 0.000 1.073 778 L CA 1.639 56.188 54.840 -0.484 0.000 0.753 778 L CB -0.975 40.647 42.059 -0.727 0.000 0.890 778 L HN 0.253 nan 8.230 nan 0.000 0.432 779 R N -0.657 119.779 120.500 -0.106 0.000 2.083 779 R HA -0.210 4.133 4.340 0.004 0.000 0.237 779 R C 2.268 178.467 176.300 -0.168 0.000 1.137 779 R CA 1.866 57.763 56.100 -0.338 0.000 0.951 779 R CB -0.168 29.993 30.300 -0.232 0.000 0.851 779 R HN 0.527 nan 8.270 nan 0.000 0.434 780 Q N 0.090 119.841 119.800 -0.082 0.000 2.030 780 Q HA -0.183 4.159 4.340 0.004 0.000 0.204 780 Q C 2.313 178.311 176.000 -0.003 0.000 0.986 780 Q CA 1.875 57.656 55.803 -0.035 0.000 0.843 780 Q CB -0.209 28.509 28.738 -0.032 0.000 0.904 780 Q HN 0.431 nan 8.270 nan 0.000 0.420 781 I N 0.793 121.371 120.570 0.014 0.000 2.151 781 I HA -0.335 3.837 4.170 0.004 0.000 0.243 781 I C 2.484 178.652 176.117 0.085 0.000 1.080 781 I CA 1.207 62.547 61.300 0.066 0.000 1.339 781 I CB -0.519 37.574 38.000 0.156 0.000 1.039 781 I HN 0.189 nan 8.210 nan 0.000 0.409 782 A N -0.177 122.728 122.820 0.141 0.000 1.873 782 A HA -0.242 4.080 4.320 0.004 0.000 0.215 782 A C 2.500 180.078 177.584 -0.010 0.000 1.186 782 A CA 2.123 54.221 52.037 0.101 0.000 0.616 782 A CB -0.890 18.197 19.000 0.145 0.000 0.823 782 A HN 0.416 nan 8.150 nan 0.000 0.442 783 S N -0.496 115.189 115.700 -0.026 0.000 2.374 783 S HA -0.105 4.367 4.470 0.004 0.000 0.227 783 S C 2.014 176.590 174.600 -0.040 0.000 1.037 783 S CA 2.101 60.300 58.200 -0.002 0.000 1.024 783 S CB -0.762 62.471 63.200 0.054 0.000 0.861 783 S HN 0.714 nan 8.310 nan 0.000 0.456 784 G N 0.650 109.431 108.800 -0.031 0.000 2.434 784 G HA2 -0.117 3.846 3.960 0.004 0.000 0.214 784 G HA3 -0.117 3.846 3.960 0.004 0.000 0.214 784 G C 1.518 176.312 174.900 -0.176 0.000 1.202 784 G CA 0.960 45.978 45.100 -0.137 0.000 0.788 784 G HN 0.464 nan 8.290 nan 0.000 0.539 785 V N 1.858 121.672 119.914 -0.168 0.000 2.380 785 V HA -0.219 3.904 4.120 0.004 0.000 0.251 785 V C 3.351 179.200 176.094 -0.408 0.000 1.063 785 V CA 2.132 64.251 62.300 -0.302 0.000 1.055 785 V CB -0.957 30.715 31.823 -0.253 0.000 0.657 785 V HN 0.497 nan 8.190 nan 0.000 0.455 786 A N -0.829 121.865 122.820 -0.210 0.000 1.883 786 A HA -0.320 4.003 4.320 0.004 0.000 0.217 786 A C 2.267 179.781 177.584 -0.117 0.000 1.186 786 A CA 2.128 54.096 52.037 -0.116 0.000 0.624 786 A CB -0.955 18.025 19.000 -0.033 0.000 0.822 786 A HN 0.716 nan 8.150 nan 0.000 0.444 787 H N -0.509 118.399 119.070 -0.269 0.000 2.352 787 H HA -0.109 4.449 4.556 0.004 0.000 0.299 787 H C 1.894 177.120 175.328 -0.171 0.000 1.097 787 H CA 1.687 57.569 56.048 -0.277 0.000 1.311 787 H CB -0.076 29.316 29.762 -0.618 0.000 1.377 787 H HN 0.281 nan 8.280 nan 0.000 0.504 788 L N 0.751 121.872 121.223 -0.169 0.000 2.012 788 L HA -0.197 4.145 4.340 0.004 0.000 0.210 788 L C 2.355 179.175 176.870 -0.084 0.000 1.073 788 L CA 1.796 56.561 54.840 -0.126 0.000 0.748 788 L CB -1.619 40.367 42.059 -0.122 0.000 0.891 788 L HN 0.489 nan 8.230 nan 0.000 0.431 789 H N -1.614 117.407 119.070 -0.081 0.000 2.457 789 H HA -0.066 4.492 4.556 0.004 0.000 0.294 789 H C 2.310 177.584 175.328 -0.091 0.000 1.064 789 H CA 0.803 56.808 56.048 -0.072 0.000 1.330 789 H CB 0.252 29.986 29.762 -0.047 0.000 1.395 789 H HN 0.270 nan 8.280 nan 0.000 0.541 790 S N 0.627 116.310 115.700 -0.027 0.000 2.400 790 S HA -0.103 4.370 4.470 0.004 0.000 0.232 790 S C 1.591 176.130 174.600 -0.102 0.000 1.025 790 S CA 0.905 59.054 58.200 -0.084 0.000 0.993 790 S CB -0.034 63.063 63.200 -0.173 0.000 0.808 790 S HN 0.317 nan 8.310 nan 0.000 0.478 791 L N 0.441 121.582 121.223 -0.137 0.000 2.685 791 L HA 0.256 4.599 4.340 0.004 0.000 0.233 791 L C 0.059 176.903 176.870 -0.043 0.000 1.173 791 L CA -0.139 54.639 54.840 -0.104 0.000 0.961 791 L CB -0.151 41.822 42.059 -0.142 0.000 1.217 791 L HN 0.070 nan 8.230 nan 0.000 0.478 792 K N -0.523 119.867 120.400 -0.018 0.000 3.130 792 K HA -0.188 4.135 4.320 0.004 0.000 0.282 792 K C -0.232 176.362 176.600 -0.010 0.000 1.145 792 K CA 0.991 57.270 56.287 -0.013 0.000 0.831 792 K CB -2.084 30.402 32.500 -0.024 0.000 1.226 792 K HN 0.319 nan 8.250 nan 0.000 0.478 793 I N 1.327 121.910 120.570 0.021 0.000 2.304 793 I HA 0.213 4.385 4.170 0.004 0.000 0.291 793 I C -0.035 176.120 176.117 0.062 0.000 1.018 793 I CA -0.975 60.340 61.300 0.025 0.000 1.260 793 I CB 0.682 38.720 38.000 0.063 0.000 1.390 793 I HN -0.062 nan 8.210 nan 0.000 0.475 794 I N 6.603 127.153 120.570 -0.033 0.000 2.306 794 I HA 0.192 4.365 4.170 0.004 0.000 0.288 794 I C 0.654 176.721 176.117 -0.084 0.000 1.036 794 I CA -0.182 61.098 61.300 -0.033 0.000 1.221 794 I CB 0.152 38.018 38.000 -0.224 0.000 1.385 794 I HN 0.503 nan 8.210 nan 0.000 0.472 795 H N 6.097 125.079 119.070 -0.147 0.000 2.730 795 H HA 0.267 4.825 4.556 0.004 0.000 0.376 795 H C 0.389 175.629 175.328 -0.147 0.000 1.299 795 H CA 0.769 56.670 56.048 -0.246 0.000 1.447 795 H CB 1.051 30.612 29.762 -0.336 0.000 1.493 795 H HN 0.536 nan 8.280 nan 0.000 0.619 796 R N 0.032 120.436 120.500 -0.162 0.000 2.871 796 R HA 0.019 4.362 4.340 0.004 0.000 0.176 796 R C 1.047 177.406 176.300 0.098 0.000 0.830 796 R CA 0.121 56.230 56.100 0.015 0.000 1.160 796 R CB -0.024 30.250 30.300 -0.043 0.000 1.614 796 R HN 0.444 nan 8.270 nan 0.000 0.596 797 D N 1.045 121.444 120.400 -0.001 0.000 2.371 797 D HA 0.017 4.660 4.640 0.004 0.000 0.234 797 D C -0.244 176.142 176.300 0.144 0.000 1.049 797 D CA 0.195 54.231 54.000 0.061 0.000 0.907 797 D CB 0.056 40.842 40.800 -0.024 0.000 0.891 797 D HN 0.078 nan 8.370 nan 0.000 0.531 798 L N 1.398 122.762 121.223 0.236 0.000 2.776 798 L HA -0.161 4.182 4.340 0.004 0.000 0.283 798 L C 0.695 177.481 176.870 -0.140 0.000 1.194 798 L CA 1.039 55.853 54.840 -0.043 0.000 0.947 798 L CB -0.226 41.792 42.059 -0.069 0.000 1.255 798 L HN 0.188 nan 8.230 nan 0.000 0.481 799 K N 2.640 122.859 120.400 -0.302 0.000 2.711 799 K HA 0.319 4.641 4.320 0.004 0.000 0.294 799 K C -2.823 173.449 176.600 -0.546 0.000 1.037 799 K CA -1.382 54.500 56.287 -0.674 0.000 0.858 799 K CB 0.985 32.964 32.500 -0.868 0.000 1.521 799 K HN -0.130 nan 8.250 nan 0.000 0.386 800 P HA -0.133 nan 4.420 nan 0.000 0.221 800 P C 0.596 177.787 177.300 -0.182 0.000 1.145 800 P CA 1.244 64.139 63.100 -0.343 0.000 0.795 800 P CB 0.185 31.635 31.700 -0.417 0.000 0.775 801 Q N -1.340 118.329 119.800 -0.217 0.000 2.269 801 Q HA -0.018 4.324 4.340 0.004 0.000 0.201 801 Q C 1.743 177.702 176.000 -0.069 0.000 0.946 801 Q CA 0.963 56.704 55.803 -0.103 0.000 0.877 801 Q CB -0.699 27.986 28.738 -0.089 0.000 0.963 801 Q HN 0.253 nan 8.270 nan 0.000 0.472 802 N N 0.068 118.710 118.700 -0.097 0.000 2.300 802 N HA 0.000 4.743 4.740 0.004 0.000 0.179 802 N C -0.036 175.451 175.510 -0.039 0.000 1.016 802 N CA 0.550 53.573 53.050 -0.046 0.000 0.876 802 N CB 0.205 38.657 38.487 -0.058 0.000 0.979 802 N HN 0.269 nan 8.380 nan 0.000 0.432 803 I N 2.437 122.967 120.570 -0.067 0.000 2.421 803 I HA 0.007 4.179 4.170 0.004 0.000 0.291 803 I C -0.175 175.938 176.117 -0.007 0.000 1.089 803 I CA -0.296 60.980 61.300 -0.041 0.000 1.354 803 I CB 0.398 38.373 38.000 -0.041 0.000 1.413 803 I HN -0.136 nan 8.210 nan 0.000 0.513 804 L N 7.739 128.964 121.223 0.003 0.000 2.399 804 L HA 0.558 4.900 4.340 0.004 0.000 0.265 804 L C 0.061 176.936 176.870 0.009 0.000 1.089 804 L CA -0.597 54.251 54.840 0.013 0.000 0.802 804 L CB 1.616 43.689 42.059 0.023 0.000 1.180 804 L HN 0.226 nan 8.230 nan 0.000 0.454 805 V N 0.830 120.757 119.914 0.021 0.000 2.686 805 V HA 0.622 4.744 4.120 0.004 0.000 0.306 805 V C -0.282 175.841 176.094 0.049 0.000 1.065 805 V CA -0.538 61.778 62.300 0.026 0.000 0.894 805 V CB 1.970 33.810 31.823 0.029 0.000 1.004 805 V HN 0.839 nan 8.190 nan 0.000 0.424 806 S N 1.713 117.457 115.700 0.074 0.000 2.548 806 S HA 0.631 5.104 4.470 0.004 0.000 0.286 806 S C 0.489 175.195 174.600 0.175 0.000 1.098 806 S CA 0.189 58.478 58.200 0.149 0.000 0.930 806 S CB 2.081 65.447 63.200 0.276 0.000 1.070 806 S HN 0.964 nan 8.310 nan 0.000 0.480 807 T N 0.053 114.692 114.554 0.142 0.000 3.129 807 T HA 0.288 4.640 4.350 0.004 0.000 0.267 807 T C 0.392 175.144 174.700 0.087 0.000 1.018 807 T CA -0.294 61.872 62.100 0.110 0.000 0.903 807 T CB -0.050 68.853 68.868 0.058 0.000 1.067 807 T HN 0.378 nan 8.240 nan 0.000 0.549 808 S N 2.751 118.507 115.700 0.094 0.000 2.593 808 S HA 0.041 4.513 4.470 0.004 0.000 0.300 808 S C 1.457 175.975 174.600 -0.136 0.000 1.267 808 S CA -0.211 57.934 58.200 -0.092 0.000 1.065 808 S CB 0.408 63.406 63.200 -0.337 0.000 0.807 808 S HN 0.557 nan 8.310 nan 0.000 0.499 809 S N 4.204 119.830 115.700 -0.123 0.000 2.420 809 S HA -0.203 4.270 4.470 0.004 0.000 0.237 809 S C 1.858 176.366 174.600 -0.154 0.000 1.023 809 S CA 1.221 59.364 58.200 -0.096 0.000 0.991 809 S CB -0.173 62.980 63.200 -0.077 0.000 0.792 809 S HN 0.667 nan 8.310 nan 0.000 0.488 810 R N 0.456 120.763 120.500 -0.322 0.000 2.105 810 R HA -0.081 4.261 4.340 0.004 0.000 0.239 810 R C 1.572 177.689 176.300 -0.305 0.000 1.135 810 R CA 1.643 57.501 56.100 -0.404 0.000 0.967 810 R CB -0.478 29.418 30.300 -0.673 0.000 0.861 810 R HN 0.428 nan 8.270 nan 0.000 0.442 811 F N -0.278 119.670 119.950 -0.003 0.000 2.374 811 F HA 0.054 4.583 4.527 0.004 0.000 0.291 811 F C 2.567 178.361 175.800 -0.010 0.000 1.084 811 F CA 1.029 59.023 58.000 -0.010 0.000 1.413 811 F CB -0.908 38.087 39.000 -0.008 0.000 1.099 811 F HN 0.019 nan 8.300 nan 0.000 0.534 812 T N -2.375 112.268 114.554 0.148 0.000 3.067 812 T HA 0.255 4.608 4.350 0.004 0.000 0.257 812 T C 2.085 176.813 174.700 0.048 0.000 1.105 812 T CA 0.653 62.810 62.100 0.095 0.000 1.104 812 T CB -0.430 68.486 68.868 0.080 0.000 0.925 812 T HN 0.114 nan 8.240 nan 0.000 0.498 813 A N 1.824 124.658 122.820 0.024 0.000 1.902 813 A HA 0.032 4.354 4.320 0.004 0.000 0.217 813 A C 1.246 178.838 177.584 0.014 0.000 1.181 813 A CA 0.951 52.993 52.037 0.009 0.000 0.623 813 A CB -0.859 18.135 19.000 -0.010 0.000 0.818 813 A HN 0.523 nan 8.150 nan 0.000 0.443 814 D N -0.439 119.973 120.400 0.020 0.000 2.455 814 D HA 0.184 4.827 4.640 0.004 0.000 0.241 814 D C 0.570 176.881 176.300 0.018 0.000 1.138 814 D CA 0.457 54.467 54.000 0.017 0.000 0.877 814 D CB 0.580 41.392 40.800 0.021 0.000 1.187 814 D HN 0.378 nan 8.370 nan 0.000 0.451 815 Q N 1.647 121.453 119.800 0.011 0.000 2.103 815 Q HA -0.018 4.325 4.340 0.004 0.000 0.219 815 Q C 1.351 177.355 176.000 0.006 0.000 0.784 815 Q CA -0.125 55.684 55.803 0.010 0.000 1.014 815 Q CB 0.605 29.349 28.738 0.010 0.000 1.183 815 Q HN 0.647 nan 8.270 nan 0.000 0.469 816 Q N 0.167 119.969 119.800 0.003 0.000 2.124 816 Q HA -0.155 4.188 4.340 0.004 0.000 0.202 816 Q C 1.903 177.902 176.000 -0.002 0.000 0.977 816 Q CA 2.094 57.897 55.803 -0.001 0.000 0.850 816 Q CB -0.538 28.198 28.738 -0.003 0.000 0.901 816 Q HN 0.087 nan 8.270 nan 0.000 0.429 817 T N -1.087 113.466 114.554 -0.003 0.000 2.812 817 T HA 0.272 4.624 4.350 0.004 0.000 0.264 817 T C 0.677 175.377 174.700 -0.001 0.000 1.042 817 T CA 1.201 63.297 62.100 -0.006 0.000 1.140 817 T CB -0.189 68.672 68.868 -0.012 0.000 0.870 817 T HN 0.635 nan 8.240 nan 0.000 0.445 818 G N -0.481 108.322 108.800 0.004 0.000 2.320 818 G HA2 0.472 4.434 3.960 0.004 0.000 0.297 818 G HA3 0.472 4.434 3.960 0.004 0.000 0.297 818 G C -1.230 173.678 174.900 0.013 0.000 1.344 818 G CA -0.335 44.770 45.100 0.009 0.000 0.851 818 G HN 0.517 nan 8.290 nan 0.000 0.567 819 A N 0.188 123.017 122.820 0.016 0.000 2.437 819 A HA 0.710 5.032 4.320 0.004 0.000 0.303 819 A C 0.209 177.807 177.584 0.022 0.000 1.324 819 A CA 0.379 52.427 52.037 0.020 0.000 0.983 819 A CB -0.136 18.875 19.000 0.020 0.000 1.142 819 A HN 0.574 nan 8.150 nan 0.000 0.541 820 E N 1.124 121.339 120.200 0.026 0.000 2.393 820 E HA 0.430 4.783 4.350 0.004 0.000 0.273 820 E C -0.576 176.050 176.600 0.044 0.000 0.918 820 E CA -0.717 55.702 56.400 0.032 0.000 0.773 820 E CB 1.563 31.278 29.700 0.025 0.000 1.275 820 E HN 0.685 nan 8.360 nan 0.000 0.451 821 N N 2.202 120.934 118.700 0.054 0.000 2.381 821 N HA 0.177 4.919 4.740 0.004 0.000 0.257 821 N C -0.935 174.621 175.510 0.076 0.000 1.409 821 N CA -0.116 52.972 53.050 0.063 0.000 0.836 821 N CB 0.227 38.748 38.487 0.056 0.000 1.384 821 N HN 0.454 nan 8.380 nan 0.000 0.490 822 L N -3.563 117.707 121.223 0.078 0.000 2.765 822 L HA 0.599 4.941 4.340 0.004 0.000 0.254 822 L C -1.787 175.112 176.870 0.048 0.000 0.939 822 L CA -0.835 54.054 54.840 0.082 0.000 0.949 822 L CB 1.565 43.672 42.059 0.080 0.000 1.521 822 L HN -0.246 nan 8.230 nan 0.000 0.434 823 R N 2.867 123.382 120.500 0.024 0.000 2.407 823 R HA 0.644 4.987 4.340 0.004 0.000 0.303 823 R C -0.564 175.688 176.300 -0.081 0.000 0.981 823 R CA -0.852 55.193 56.100 -0.091 0.000 0.905 823 R CB 1.942 32.047 30.300 -0.324 0.000 1.099 823 R HN 0.563 nan 8.270 nan 0.000 0.459 824 I N 4.269 124.793 120.570 -0.077 0.000 2.499 824 I HA 0.390 4.562 4.170 0.004 0.000 0.296 824 I C 0.275 176.346 176.117 -0.077 0.000 0.992 824 I CA -0.641 60.629 61.300 -0.050 0.000 1.297 824 I CB 0.934 38.921 38.000 -0.022 0.000 1.410 824 I HN 0.351 nan 8.210 nan 0.000 0.507 825 L N 5.837 127.032 121.223 -0.046 0.000 2.528 825 L HA 0.401 4.743 4.340 0.004 0.000 0.267 825 L C -0.496 176.381 176.870 0.011 0.000 0.961 825 L CA -0.672 54.149 54.840 -0.031 0.000 0.866 825 L CB 2.143 44.175 42.059 -0.045 0.000 1.248 825 L HN 0.286 nan 8.230 nan 0.000 0.404 826 I N 2.095 122.687 120.570 0.037 0.000 2.696 826 I HA 0.379 4.552 4.170 0.004 0.000 0.284 826 I C 0.815 177.069 176.117 0.228 0.000 1.129 826 I CA 0.520 61.842 61.300 0.037 0.000 1.410 826 I CB 1.132 39.127 38.000 -0.009 0.000 1.399 826 I HN 0.782 nan 8.210 nan 0.000 0.579 827 S N 2.687 118.528 115.700 0.234 0.000 2.757 827 S HA 0.424 4.896 4.470 0.004 0.000 0.285 827 S C -0.784 174.070 174.600 0.423 0.000 1.196 827 S CA -0.747 57.703 58.200 0.415 0.000 0.856 827 S CB 1.446 64.770 63.200 0.206 0.000 1.212 827 S HN 0.667 nan 8.310 nan 0.000 0.516 828 D N -0.210 120.417 120.400 0.378 0.000 3.278 828 D HA -0.161 4.481 4.640 0.004 0.000 0.233 828 D C -0.499 175.928 176.300 0.212 0.000 1.149 828 D CA 0.580 54.725 54.000 0.242 0.000 0.957 828 D CB -1.691 39.179 40.800 0.117 0.000 0.913 828 D HN 0.545 nan 8.370 nan 0.000 0.409 829 F N 0.062 119.994 119.950 -0.030 0.000 2.664 829 F HA 0.270 4.800 4.527 0.004 0.000 0.301 829 F C 2.346 178.057 175.800 -0.148 0.000 1.126 829 F CA -0.069 57.860 58.000 -0.118 0.000 1.373 829 F CB 0.368 39.333 39.000 -0.058 0.000 1.042 829 F HN 0.396 nan 8.300 nan 0.000 0.535 830 G N 0.883 109.692 108.800 0.016 0.000 2.476 830 G HA2 -0.244 3.718 3.960 0.004 0.000 0.218 830 G HA3 -0.244 3.718 3.960 0.004 0.000 0.218 830 G C 1.511 176.374 174.900 -0.063 0.000 1.164 830 G CA 0.925 46.011 45.100 -0.023 0.000 0.768 830 G HN 0.388 nan 8.290 nan 0.000 0.560 831 L N 0.767 121.909 121.223 -0.134 0.000 2.477 831 L HA 0.184 4.526 4.340 0.004 0.000 0.220 831 L C 1.994 178.767 176.870 -0.162 0.000 1.106 831 L CA -0.344 54.420 54.840 -0.126 0.000 0.851 831 L CB -0.703 41.285 42.059 -0.119 0.000 0.994 831 L HN 0.422 nan 8.230 nan 0.000 0.462 832 C N 0.624 119.767 119.300 -0.262 0.000 2.758 832 C HA 0.464 4.926 4.460 0.004 0.000 0.371 832 C C 0.311 175.212 174.990 -0.149 0.000 1.342 832 C CA -0.715 58.145 59.018 -0.264 0.000 2.257 832 C CB 0.465 27.976 27.740 -0.382 0.000 2.621 832 C HN 0.315 nan 8.230 nan 0.000 0.730 833 K N 0.436 120.735 120.400 -0.169 0.000 2.523 833 K HA 0.460 4.782 4.320 0.004 0.000 0.257 833 K C -1.054 175.467 176.600 -0.132 0.000 0.932 833 K CA -0.348 55.854 56.287 -0.142 0.000 0.812 833 K CB 1.249 33.634 32.500 -0.192 0.000 1.326 833 K HN 0.919 nan 8.250 nan 0.000 0.433 834 K N 3.206 123.561 120.400 -0.074 0.000 2.118 834 K HA 0.346 4.669 4.320 0.004 0.000 0.264 834 K C -0.343 176.218 176.600 -0.064 0.000 1.000 834 K CA -0.376 55.877 56.287 -0.056 0.000 0.929 834 K CB 0.699 33.184 32.500 -0.026 0.000 1.021 834 K HN 0.651 nan 8.250 nan 0.000 0.463 835 L N 4.057 125.247 121.223 -0.055 0.000 3.036 835 L HA 0.116 4.459 4.340 0.004 0.000 0.237 835 L C -0.786 176.074 176.870 -0.017 0.000 1.319 835 L CA -0.002 54.810 54.840 -0.046 0.000 1.112 835 L CB -0.716 41.310 42.059 -0.055 0.000 1.480 835 L HN 0.946 nan 8.230 nan 0.000 0.506 836 D N -1.339 119.054 120.400 -0.011 0.000 3.582 836 D HA -0.329 4.313 4.640 0.004 0.000 0.258 836 D C 1.252 177.550 176.300 -0.004 0.000 1.930 836 D CA 1.250 55.249 54.000 -0.002 0.000 1.144 836 D CB -0.458 40.348 40.800 0.009 0.000 0.858 836 D HN 0.244 nan 8.370 nan 0.000 1.045 837 S N -0.730 114.969 115.700 -0.000 0.000 2.359 837 S HA 0.010 4.482 4.470 0.004 0.000 0.222 837 S C 1.323 175.921 174.600 -0.004 0.000 1.038 837 S CA 3.372 61.571 58.200 -0.001 0.000 1.051 837 S CB -0.296 62.904 63.200 0.000 0.000 0.944 837 S HN 1.021 nan 8.310 nan 0.000 0.433 838 G N -0.322 108.477 108.800 -0.002 0.000 3.768 838 G HA2 0.326 4.288 3.960 0.004 0.000 0.109 838 G HA3 0.326 4.288 3.960 0.004 0.000 0.109 838 G C -0.722 174.180 174.900 0.004 0.000 1.126 838 G CA -0.054 45.047 45.100 0.002 0.000 1.143 838 G HN 0.524 nan 8.290 nan 0.000 0.407 846 L N 0.293 121.505 121.223 -0.018 0.000 2.371 846 L HA 0.583 4.925 4.340 0.004 0.000 0.262 846 L C -0.748 176.123 176.870 0.002 0.000 1.006 846 L CA -0.428 54.397 54.840 -0.025 0.000 0.818 846 L CB 1.318 43.355 42.059 -0.037 0.000 1.354 846 L HN 0.837 nan 8.230 nan 0.000 0.415 847 N N 0.806 119.509 118.700 0.004 0.000 2.509 847 N HA 0.740 5.482 4.740 0.004 0.000 0.280 847 N C -1.184 174.330 175.510 0.008 0.000 1.306 847 N CA -0.731 52.328 53.050 0.015 0.000 0.782 847 N CB 2.397 40.903 38.487 0.031 0.000 1.493 847 N HN 0.627 nan 8.380 nan 0.000 0.498 848 N N -1.475 117.232 118.700 0.012 0.000 3.449 848 N HA 0.451 5.194 4.740 0.004 0.000 0.312 848 N C -2.652 172.866 175.510 0.013 0.000 1.557 848 N CA -0.690 52.366 53.050 0.009 0.000 0.864 848 N CB 0.803 39.293 38.487 0.004 0.000 1.799 848 N HN 0.310 nan 8.380 nan 0.000 0.554 849 P HA 0.467 nan 4.420 nan 0.000 0.341 849 P C 0.128 177.430 177.300 0.003 0.000 1.349 849 P CA -0.307 62.796 63.100 0.004 0.000 0.830 849 P CB 0.227 31.929 31.700 0.003 0.000 1.986 850 S N -0.344 115.352 115.700 -0.007 0.000 2.343 850 S HA -0.046 4.426 4.470 0.004 0.000 0.212 850 S C 2.122 176.718 174.600 -0.007 0.000 1.033 850 S CA 1.540 59.729 58.200 -0.017 0.000 1.004 850 S CB -1.597 61.583 63.200 -0.034 0.000 0.977 850 S HN 0.643 nan 8.310 nan 0.000 0.427 851 G N 1.428 110.225 108.800 -0.004 0.000 2.505 851 G HA2 -0.257 3.706 3.960 0.004 0.000 0.220 851 G HA3 -0.257 3.706 3.960 0.004 0.000 0.220 851 G C 1.377 176.322 174.900 0.075 0.000 1.145 851 G CA 1.772 46.882 45.100 0.017 0.000 0.761 851 G HN 0.544 nan 8.290 nan 0.000 0.571 852 T N 0.928 115.526 114.554 0.075 0.000 2.929 852 T HA -0.046 4.307 4.350 0.004 0.000 0.271 852 T C 2.397 177.194 174.700 0.161 0.000 1.085 852 T CA 1.280 63.451 62.100 0.118 0.000 1.125 852 T CB -0.116 68.792 68.868 0.067 0.000 0.874 852 T HN 0.229 nan 8.240 nan 0.000 0.494 853 S N 0.831 116.585 115.700 0.090 0.000 2.603 853 S HA 0.162 4.634 4.470 0.004 0.000 0.220 853 S C 2.143 176.760 174.600 0.028 0.000 0.967 853 S CA 0.160 58.397 58.200 0.062 0.000 0.920 853 S CB -0.255 62.949 63.200 0.007 0.000 0.773 853 S HN 0.649 nan 8.310 nan 0.000 0.529 854 G N -0.356 108.461 108.800 0.028 0.000 2.625 854 G HA2 -0.092 3.870 3.960 0.004 0.000 0.214 854 G HA3 -0.092 3.870 3.960 0.004 0.000 0.214 854 G C 0.328 174.989 174.900 -0.399 0.000 1.132 854 G CA 0.140 45.101 45.100 -0.232 0.000 0.782 854 G HN 0.635 nan 8.290 nan 0.000 0.538 855 W N -0.223 121.128 121.300 0.084 0.000 2.284 855 W HA 0.451 5.113 4.660 0.003 0.000 0.334 855 W C 0.441 177.078 176.519 0.197 0.000 0.917 855 W CA -0.943 56.504 57.345 0.169 0.000 1.621 855 W CB 0.671 30.196 29.460 0.108 0.000 1.129 855 W HN -0.216 nan 8.180 nan 0.000 0.528 856 R N 1.225 121.888 120.500 0.270 0.000 2.410 856 R HA 0.628 4.970 4.340 0.004 0.000 0.288 856 R C 0.449 176.731 176.300 -0.030 0.000 1.051 856 R CA -0.297 55.889 56.100 0.144 0.000 1.021 856 R CB 1.021 31.349 30.300 0.046 0.000 1.032 856 R HN -0.030 nan 8.270 nan 0.000 0.481 857 A N 4.462 127.145 122.820 -0.228 0.000 2.425 857 A HA 0.208 4.530 4.320 0.004 0.000 0.242 857 A C -1.259 175.953 177.584 -0.619 0.000 1.077 857 A CA -1.120 50.376 52.037 -0.901 0.000 0.781 857 A CB -0.035 18.622 19.000 -0.572 0.000 1.020 857 A HN 0.453 nan 8.150 nan 0.000 0.494 858 P HA -0.262 nan 4.420 nan 0.000 0.216 858 P C 1.190 178.327 177.300 -0.271 0.000 1.157 858 P CA 1.900 64.772 63.100 -0.380 0.000 0.880 858 P CB -0.082 31.405 31.700 -0.355 0.000 0.791 859 E N 0.403 120.425 120.200 -0.297 0.000 2.209 859 E HA -0.157 4.195 4.350 0.004 0.000 0.196 859 E C 2.133 178.632 176.600 -0.169 0.000 0.993 859 E CA 1.000 57.274 56.400 -0.211 0.000 0.819 859 E CB -1.241 28.337 29.700 -0.203 0.000 0.745 859 E HN 0.301 nan 8.360 nan 0.000 0.477 860 L N -0.133 120.989 121.223 -0.169 0.000 2.109 860 L HA -0.141 4.201 4.340 0.004 0.000 0.207 860 L C 2.419 179.232 176.870 -0.095 0.000 1.086 860 L CA 0.445 55.218 54.840 -0.113 0.000 0.760 860 L CB -0.358 41.656 42.059 -0.075 0.000 0.910 860 L HN 0.114 nan 8.230 nan 0.000 0.437 861 L N -0.332 120.827 121.223 -0.108 0.000 1.948 861 L HA -0.201 4.141 4.340 0.004 0.000 0.212 861 L C 1.834 178.663 176.870 -0.068 0.000 1.074 861 L CA 2.591 57.383 54.840 -0.079 0.000 0.753 861 L CB -0.682 41.327 42.059 -0.083 0.000 0.888 861 L HN 0.527 nan 8.230 nan 0.000 0.432 862 E N -3.767 116.390 120.200 -0.070 0.000 2.001 862 E HA -0.121 4.231 4.350 0.004 0.000 0.272 862 E C 0.587 177.160 176.600 -0.046 0.000 1.061 862 E CA 0.021 56.385 56.400 -0.060 0.000 1.976 862 E CB -0.629 29.043 29.700 -0.046 0.000 3.203 862 E HN -0.044 nan 8.360 nan 0.000 1.063 863 E N 2.310 122.494 120.200 -0.027 0.000 2.354 863 E HA 0.341 4.693 4.350 0.004 0.000 0.260 863 E C -1.069 175.541 176.600 0.018 0.000 1.405 863 E CA -0.050 56.344 56.400 -0.010 0.000 1.728 863 E CB 0.220 29.914 29.700 -0.009 0.000 1.471 863 E HN 0.332 nan 8.360 nan 0.000 0.441 894 K N 2.070 122.439 120.400 -0.052 0.000 2.405 894 K HA 0.303 4.625 4.320 0.004 0.000 0.276 894 K C 0.265 176.816 176.600 -0.081 0.000 1.099 894 K CA 0.049 56.287 56.287 -0.081 0.000 1.120 894 K CB 0.856 33.307 32.500 -0.082 0.000 0.877 894 K HN 0.388 nan 8.250 nan 0.000 0.472 895 R N 2.376 122.818 120.500 -0.097 0.000 2.917 895 R HA 0.358 4.700 4.340 0.004 0.000 0.220 895 R C -0.244 175.995 176.300 -0.101 0.000 1.485 895 R CA -1.198 54.851 56.100 -0.085 0.000 1.037 895 R CB 0.509 30.764 30.300 -0.075 0.000 1.929 895 R HN 0.509 nan 8.270 nan 0.000 0.526 896 R N 0.961 121.412 120.500 -0.082 0.000 2.489 896 R HA 0.089 4.431 4.340 0.004 0.000 0.287 896 R C -0.701 175.543 176.300 -0.094 0.000 1.053 896 R CA -0.171 55.878 56.100 -0.085 0.000 1.036 896 R CB -0.109 30.163 30.300 -0.047 0.000 0.966 896 R HN 0.131 nan 8.270 nan 0.000 0.432 897 L N 2.158 123.291 121.223 -0.150 0.000 2.290 897 L HA 0.374 4.716 4.340 0.004 0.000 0.284 897 L C 0.709 177.675 176.870 0.160 0.000 1.078 897 L CA 0.324 55.097 54.840 -0.112 0.000 0.815 897 L CB 1.321 43.064 42.059 -0.526 0.000 1.162 897 L HN 0.657 nan 8.230 nan 0.000 0.435 898 T N 0.857 115.520 114.554 0.182 0.000 2.778 898 T HA 0.392 4.744 4.350 0.004 0.000 0.293 898 T C 1.092 175.821 174.700 0.049 0.000 1.144 898 T CA -0.636 61.547 62.100 0.137 0.000 1.010 898 T CB 1.069 69.956 68.868 0.033 0.000 1.325 898 T HN 0.646 nan 8.240 nan 0.000 0.515 899 R N 0.713 121.153 120.500 -0.100 0.000 2.211 899 R HA -0.093 4.249 4.340 0.004 0.000 0.240 899 R C 2.378 178.596 176.300 -0.137 0.000 1.144 899 R CA 1.687 57.627 56.100 -0.267 0.000 0.992 899 R CB -0.617 29.246 30.300 -0.728 0.000 0.869 899 R HN 0.700 nan 8.270 nan 0.000 0.462 900 S N 1.120 116.782 115.700 -0.063 0.000 2.440 900 S HA -0.182 4.290 4.470 0.004 0.000 0.240 900 S C 1.885 176.520 174.600 0.058 0.000 1.014 900 S CA 1.096 59.296 58.200 0.001 0.000 0.980 900 S CB -0.508 62.693 63.200 0.001 0.000 0.775 900 S HN 0.293 nan 8.310 nan 0.000 0.499 901 I N 2.280 122.889 120.570 0.064 0.000 2.099 901 I HA -0.209 3.963 4.170 0.004 0.000 0.239 901 I C 2.366 178.584 176.117 0.168 0.000 1.066 901 I CA 1.875 63.238 61.300 0.105 0.000 1.324 901 I CB -0.536 37.536 38.000 0.121 0.000 1.037 901 I HN 0.239 nan 8.210 nan 0.000 0.401 902 D N 0.698 121.191 120.400 0.155 0.000 2.178 902 D HA -0.144 4.498 4.640 0.004 0.000 0.201 902 D C 2.177 178.550 176.300 0.121 0.000 0.980 902 D CA 1.135 55.233 54.000 0.163 0.000 0.842 902 D CB -0.090 40.854 40.800 0.239 0.000 0.948 902 D HN 0.227 nan 8.370 nan 0.000 0.472 903 I N 0.457 121.099 120.570 0.121 0.000 2.179 903 I HA -0.223 3.950 4.170 0.004 0.000 0.242 903 I C 2.310 178.443 176.117 0.026 0.000 1.088 903 I CA 0.726 62.051 61.300 0.041 0.000 1.357 903 I CB -1.281 36.749 38.000 0.050 0.000 1.051 903 I HN -0.032 nan 8.210 nan 0.000 0.409 904 F N 1.903 121.839 119.950 -0.024 0.000 2.069 904 F HA -0.254 4.275 4.527 0.004 0.000 0.298 904 F C 2.751 178.564 175.800 0.021 0.000 1.113 904 F CA 2.062 60.055 58.000 -0.012 0.000 1.214 904 F CB -0.265 38.734 39.000 -0.001 0.000 0.978 904 F HN -0.013 nan 8.300 nan 0.000 0.474 905 S N 1.461 117.315 115.700 0.257 0.000 2.365 905 S HA -0.371 4.101 4.470 0.004 0.000 0.221 905 S C 2.118 176.752 174.600 0.057 0.000 1.037 905 S CA 2.021 60.345 58.200 0.206 0.000 1.060 905 S CB -0.926 62.398 63.200 0.207 0.000 0.974 905 S HN 0.659 nan 8.310 nan 0.000 0.427 906 M N 1.939 121.523 119.600 -0.027 0.000 2.144 906 M HA -0.108 4.375 4.480 0.004 0.000 0.260 906 M C 2.039 178.166 176.300 -0.288 0.000 1.067 906 M CA 2.032 57.257 55.300 -0.124 0.000 1.095 906 M CB -0.884 31.587 32.600 -0.216 0.000 1.365 906 M HN 0.339 nan 8.290 nan 0.000 0.406 907 G N 0.119 108.705 108.800 -0.358 0.000 2.446 907 G HA2 -0.246 3.716 3.960 0.004 0.000 0.217 907 G HA3 -0.246 3.716 3.960 0.004 0.000 0.217 907 G C 1.389 176.191 174.900 -0.164 0.000 1.168 907 G CA 1.199 46.073 45.100 -0.376 0.000 0.771 907 G HN 0.629 nan 8.290 nan 0.000 0.551 908 C N -0.176 119.015 119.300 -0.182 0.000 2.429 908 C HA -0.002 4.460 4.460 0.004 0.000 0.277 908 C C 3.087 178.237 174.990 0.268 0.000 1.262 908 C CA 0.702 59.665 59.018 -0.093 0.000 1.733 908 C CB -0.976 26.639 27.740 -0.208 0.000 2.010 908 C HN 0.293 nan 8.230 nan 0.000 0.483 909 V N 0.513 120.652 119.914 0.375 0.000 2.332 909 V HA -0.226 3.897 4.120 0.004 0.000 0.248 909 V C 2.224 178.620 176.094 0.503 0.000 1.055 909 V CA 2.049 64.619 62.300 0.449 0.000 1.038 909 V CB -0.819 31.169 31.823 0.275 0.000 0.651 909 V HN 0.361 nan 8.190 nan 0.000 0.450 910 F N -0.460 119.578 119.950 0.146 0.000 2.091 910 F HA -0.240 4.289 4.527 0.004 0.000 0.299 910 F C 2.366 178.238 175.800 0.120 0.000 1.103 910 F CA 1.782 59.846 58.000 0.107 0.000 1.228 910 F CB -1.239 37.800 39.000 0.065 0.000 0.984 910 F HN 0.210 nan 8.300 nan 0.000 0.477 911 Y N -0.875 119.552 120.300 0.212 0.000 2.181 911 Y HA -0.304 4.248 4.550 0.004 0.000 0.288 911 Y C 2.610 178.594 175.900 0.140 0.000 1.146 911 Y CA 1.646 59.803 58.100 0.094 0.000 1.164 911 Y CB -1.173 37.284 38.460 -0.005 0.000 0.982 911 Y HN 0.182 nan 8.280 nan 0.000 0.515 912 Y N 0.113 120.502 120.300 0.149 0.000 2.151 912 Y HA -0.339 4.214 4.550 0.004 0.000 0.284 912 Y C 2.153 178.073 175.900 0.033 0.000 1.166 912 Y CA 2.014 60.190 58.100 0.126 0.000 1.163 912 Y CB -0.295 38.362 38.460 0.329 0.000 0.974 912 Y HN 0.088 nan 8.280 nan 0.000 0.511 913 I N 0.204 120.770 120.570 -0.007 0.000 2.142 913 I HA -0.312 3.860 4.170 0.004 0.000 0.240 913 I C 2.287 178.300 176.117 -0.175 0.000 1.078 913 I CA 1.586 62.816 61.300 -0.115 0.000 1.343 913 I CB -1.291 36.681 38.000 -0.046 0.000 1.046 913 I HN 0.369 nan 8.210 nan 0.000 0.405 914 L N 0.730 121.838 121.223 -0.191 0.000 2.240 914 L HA -0.102 4.240 4.340 0.004 0.000 0.211 914 L C 2.530 179.213 176.870 -0.311 0.000 1.106 914 L CA 1.215 55.918 54.840 -0.228 0.000 0.793 914 L CB -0.542 41.407 42.059 -0.183 0.000 0.927 914 L HN 0.295 nan 8.230 nan 0.000 0.446 915 S N -0.745 114.667 115.700 -0.480 0.000 2.562 915 S HA -0.068 4.405 4.470 0.004 0.000 0.221 915 S C 1.139 175.577 174.600 -0.269 0.000 0.975 915 S CA 0.032 57.943 58.200 -0.483 0.000 0.918 915 S CB -0.161 62.564 63.200 -0.792 0.000 0.772 915 S HN 0.347 nan 8.310 nan 0.000 0.531 916 K N 0.416 120.662 120.400 -0.257 0.000 3.096 916 K HA -0.182 4.140 4.320 0.004 0.000 0.266 916 K C 0.772 177.246 176.600 -0.211 0.000 1.043 916 K CA 0.720 56.883 56.287 -0.206 0.000 0.758 916 K CB -1.534 30.905 32.500 -0.101 0.000 1.260 916 K HN 0.885 nan 8.250 nan 0.000 0.481 917 G N -1.282 107.344 108.800 -0.288 0.000 3.345 917 G HA2 -0.152 3.810 3.960 0.004 0.000 0.199 917 G HA3 -0.152 3.810 3.960 0.004 0.000 0.199 917 G C -0.424 174.641 174.900 0.276 0.000 1.057 917 G CA -0.182 44.883 45.100 -0.059 0.000 0.865 917 G HN 0.126 nan 8.290 nan 0.000 0.449 918 K N 1.162 121.653 120.400 0.151 0.000 2.168 918 K HA 0.386 4.708 4.320 0.004 0.000 0.258 918 K C -0.672 176.194 176.600 0.442 0.000 1.010 918 K CA -0.423 56.022 56.287 0.263 0.000 0.929 918 K CB 0.840 33.450 32.500 0.184 0.000 0.998 918 K HN 0.400 nan 8.250 nan 0.000 0.479 919 H N 2.160 121.427 119.070 0.327 0.000 2.472 919 H HA 0.164 4.723 4.556 0.004 0.000 0.338 919 H C -1.894 173.558 175.328 0.207 0.000 1.133 919 H CA -2.057 54.141 56.048 0.250 0.000 1.216 919 H CB 1.846 31.610 29.762 0.003 0.000 1.497 919 H HN 0.173 nan 8.280 nan 0.000 0.500 920 P HA -0.108 nan 4.420 nan 0.000 0.218 920 P C 0.347 177.523 177.300 -0.206 0.000 1.148 920 P CA 1.341 64.163 63.100 -0.463 0.000 0.822 920 P CB 0.009 31.258 31.700 -0.753 0.000 0.784 921 F N -1.337 118.852 119.950 0.398 0.000 2.668 921 F HA 0.431 4.960 4.527 0.004 0.000 0.297 921 F C 1.644 177.505 175.800 0.101 0.000 1.124 921 F CA 0.187 58.329 58.000 0.235 0.000 1.353 921 F CB -0.282 38.825 39.000 0.180 0.000 0.992 921 F HN -0.031 nan 8.300 nan 0.000 0.524 922 G N 0.904 109.850 108.800 0.244 0.000 2.615 922 G HA2 -0.241 3.722 3.960 0.004 0.000 0.218 922 G HA3 -0.241 3.722 3.960 0.004 0.000 0.218 922 G C -0.557 174.400 174.900 0.096 0.000 1.339 922 G CA -0.490 44.698 45.100 0.146 0.000 0.884 922 G HN 0.351 nan 8.290 nan 0.000 0.559 923 D N 0.383 120.830 120.400 0.079 0.000 2.352 923 D HA 0.188 4.830 4.640 0.004 0.000 0.238 923 D C 1.759 178.104 176.300 0.076 0.000 1.286 923 D CA 0.484 54.535 54.000 0.086 0.000 0.923 923 D CB 0.255 41.094 40.800 0.065 0.000 1.146 923 D HN 0.906 nan 8.370 nan 0.000 0.471 924 K N -0.549 119.943 120.400 0.154 0.000 2.211 924 K HA -0.165 4.157 4.320 0.004 0.000 0.203 924 K C 2.006 178.665 176.600 0.099 0.000 1.050 924 K CA 0.961 57.297 56.287 0.082 0.000 0.945 924 K CB -0.507 32.051 32.500 0.097 0.000 0.732 924 K HN 0.485 nan 8.250 nan 0.000 0.451 925 Y N 2.119 122.399 120.300 -0.033 0.000 2.109 925 Y HA -0.108 4.444 4.550 0.004 0.000 0.281 925 Y C 2.738 178.622 175.900 -0.027 0.000 1.113 925 Y CA 1.045 59.132 58.100 -0.022 0.000 1.098 925 Y CB -0.128 38.328 38.460 -0.007 0.000 0.996 925 Y HN 0.005 nan 8.280 nan 0.000 0.485 926 S N -0.057 115.746 115.700 0.171 0.000 2.481 926 S HA -0.115 4.357 4.470 0.004 0.000 0.231 926 S C 1.800 176.428 174.600 0.047 0.000 0.996 926 S CA 0.501 58.755 58.200 0.089 0.000 0.942 926 S CB -0.307 62.941 63.200 0.081 0.000 0.768 926 S HN 0.278 nan 8.310 nan 0.000 0.520 927 R N 1.688 122.192 120.500 0.007 0.000 2.179 927 R HA -0.253 4.090 4.340 0.004 0.000 0.238 927 R C 2.047 178.294 176.300 -0.089 0.000 1.119 927 R CA 2.270 58.318 56.100 -0.087 0.000 0.915 927 R CB -0.378 29.759 30.300 -0.272 0.000 0.870 927 R HN 0.486 nan 8.270 nan 0.000 0.432 928 E N -0.461 119.677 120.200 -0.104 0.000 2.070 928 E HA -0.232 4.121 4.350 0.004 0.000 0.197 928 E C 2.063 178.633 176.600 -0.050 0.000 1.004 928 E CA 1.520 57.862 56.400 -0.097 0.000 0.805 928 E CB -0.224 29.430 29.700 -0.077 0.000 0.744 928 E HN 0.336 nan 8.360 nan 0.000 0.451 929 S N 0.904 116.597 115.700 -0.011 0.000 2.353 929 S HA -0.191 4.281 4.470 0.004 0.000 0.222 929 S C 1.771 176.401 174.600 0.051 0.000 1.035 929 S CA 1.539 59.748 58.200 0.016 0.000 1.025 929 S CB -0.242 62.973 63.200 0.026 0.000 0.902 929 S HN 0.192 nan 8.310 nan 0.000 0.440 930 N N 1.546 120.305 118.700 0.098 0.000 2.149 930 N HA -0.013 4.729 4.740 0.004 0.000 0.188 930 N C 1.784 177.477 175.510 0.306 0.000 1.019 930 N CA 1.426 54.606 53.050 0.217 0.000 0.857 930 N CB -0.615 38.059 38.487 0.311 0.000 0.997 930 N HN 0.504 nan 8.380 nan 0.000 0.426 931 I N 1.070 121.692 120.570 0.086 0.000 2.208 931 I HA -0.241 3.932 4.170 0.004 0.000 0.245 931 I C 1.813 177.972 176.117 0.069 0.000 1.097 931 I CA 1.069 62.273 61.300 -0.159 0.000 1.363 931 I CB -0.273 37.491 38.000 -0.394 0.000 1.051 931 I HN 0.056 nan 8.210 nan 0.000 0.413 932 I N 0.275 120.872 120.570 0.045 0.000 2.493 932 I HA -0.197 3.975 4.170 0.004 0.000 0.254 932 I C 2.258 178.411 176.117 0.059 0.000 1.160 932 I CA 1.117 62.460 61.300 0.071 0.000 1.445 932 I CB -0.398 37.617 38.000 0.025 0.000 1.086 932 I HN 0.181 nan 8.210 nan 0.000 0.433 933 R N 0.982 121.515 120.500 0.055 0.000 2.290 933 R HA 0.228 4.571 4.340 0.004 0.000 0.197 933 R C 1.320 177.604 176.300 -0.027 0.000 0.913 933 R CA 0.706 56.800 56.100 -0.010 0.000 1.040 933 R CB 0.272 30.582 30.300 0.017 0.000 0.992 933 R HN 0.424 nan 8.270 nan 0.000 0.500 934 G N 2.152 111.035 108.800 0.137 0.000 2.147 934 G HA2 -0.252 3.711 3.960 0.004 0.000 0.244 934 G HA3 -0.252 3.711 3.960 0.004 0.000 0.244 934 G C 0.076 175.116 174.900 0.234 0.000 1.005 934 G CA -0.122 45.132 45.100 0.257 0.000 0.713 934 G HN 0.241 nan 8.290 nan 0.000 0.515 935 I N 0.511 121.220 120.570 0.232 0.000 2.342 935 I HA 0.716 4.889 4.170 0.004 0.000 0.291 935 I C 0.423 176.565 176.117 0.042 0.000 1.010 935 I CA -0.846 60.474 61.300 0.035 0.000 1.308 935 I CB 0.677 38.702 38.000 0.043 0.000 1.400 935 I HN 0.255 nan 8.210 nan 0.000 0.488 936 F N 2.634 122.443 119.950 -0.235 0.000 2.741 936 F HA 0.733 5.263 4.527 0.004 0.000 0.311 936 F C -1.218 174.389 175.800 -0.321 0.000 1.149 936 F CA -0.874 56.845 58.000 -0.469 0.000 0.930 936 F CB 1.116 39.494 39.000 -1.037 0.000 1.312 936 F HN 0.238 nan 8.300 nan 0.000 0.450 937 S N 1.553 117.218 115.700 -0.059 0.000 2.541 937 S HA 0.729 5.201 4.470 0.004 0.000 0.280 937 S C -0.575 173.944 174.600 -0.136 0.000 1.112 937 S CA -0.770 57.387 58.200 -0.072 0.000 0.925 937 S CB 1.871 65.042 63.200 -0.049 0.000 1.067 937 S HN 0.781 nan 8.310 nan 0.000 0.479 938 L N 1.331 122.512 121.223 -0.069 0.000 3.333 938 L HA 0.226 4.569 4.340 0.004 0.000 0.299 938 L C 0.079 177.051 176.870 0.169 0.000 1.256 938 L CA -0.143 54.645 54.840 -0.087 0.000 1.037 938 L CB 0.157 42.151 42.059 -0.107 0.000 1.423 938 L HN 0.590 nan 8.230 nan 0.000 0.605 939 D N -0.704 119.768 120.400 0.121 0.000 2.349 939 D HA -0.099 4.543 4.640 0.004 0.000 0.224 939 D C 0.764 177.125 176.300 0.102 0.000 1.029 939 D CA 0.359 54.414 54.000 0.092 0.000 0.879 939 D CB 0.124 40.950 40.800 0.044 0.000 0.906 939 D HN 0.282 nan 8.370 nan 0.000 0.528 940 E N 0.035 120.344 120.200 0.182 0.000 2.511 940 E HA 0.187 4.540 4.350 0.004 0.000 0.214 940 E C -0.078 176.506 176.600 -0.027 0.000 1.062 940 E CA -0.293 56.161 56.400 0.090 0.000 1.213 940 E CB 0.125 29.895 29.700 0.117 0.000 1.214 940 E HN 0.301 nan 8.360 nan 0.000 0.441 941 M N 1.457 121.041 119.600 -0.026 0.000 2.775 941 M HA 0.086 4.568 4.480 0.004 0.000 0.313 941 M C 0.830 177.041 176.300 -0.148 0.000 1.429 941 M CA 0.286 55.507 55.300 -0.132 0.000 1.494 941 M CB 0.099 32.659 32.600 -0.067 0.000 1.274 941 M HN -0.005 nan 8.290 nan 0.000 0.491 942 K N 0.381 120.683 120.400 -0.164 0.000 2.103 942 K HA -0.081 4.241 4.320 0.004 0.000 0.204 942 K C 1.853 178.320 176.600 -0.222 0.000 1.052 942 K CA 0.966 57.152 56.287 -0.167 0.000 0.945 942 K CB -0.128 32.300 32.500 -0.119 0.000 0.722 942 K HN 0.627 nan 8.250 nan 0.000 0.443 943 C N 1.380 120.572 119.300 -0.180 0.000 2.419 943 C HA 0.028 4.491 4.460 0.004 0.000 0.283 943 C C 0.962 175.852 174.990 -0.168 0.000 1.373 943 C CA 0.145 59.079 59.018 -0.139 0.000 1.781 943 C CB -0.839 26.825 27.740 -0.127 0.000 1.886 943 C HN 0.221 nan 8.230 nan 0.000 0.520 944 L N -0.348 120.740 121.223 -0.225 0.000 2.375 944 L HA 0.340 4.682 4.340 0.004 0.000 0.268 944 L C 1.049 177.710 176.870 -0.349 0.000 1.058 944 L CA -0.365 54.369 54.840 -0.176 0.000 0.803 944 L CB 0.561 42.548 42.059 -0.120 0.000 1.212 944 L HN 0.266 nan 8.230 nan 0.000 0.451 945 H N -1.352 117.690 119.070 -0.046 0.000 3.583 945 H HA 0.085 4.643 4.556 0.004 0.000 0.251 945 H C -0.509 174.798 175.328 -0.035 0.000 1.060 945 H CA -0.208 55.817 56.048 -0.037 0.000 1.159 945 H CB 1.268 31.012 29.762 -0.031 0.000 1.496 945 H HN 0.519 nan 8.280 nan 0.000 0.540 946 D N 1.922 122.367 120.400 0.076 0.000 2.352 946 D HA 0.036 4.679 4.640 0.004 0.000 0.245 946 D C 1.359 177.658 176.300 -0.001 0.000 1.224 946 D CA -0.028 53.993 54.000 0.035 0.000 0.879 946 D CB 0.802 41.633 40.800 0.051 0.000 1.057 946 D HN 0.100 nan 8.370 nan 0.000 0.491 947 R N 2.130 122.617 120.500 -0.021 0.000 2.193 947 R HA -0.146 4.196 4.340 0.004 0.000 0.229 947 R C 2.017 178.300 176.300 -0.027 0.000 1.110 947 R CA 1.455 57.532 56.100 -0.037 0.000 0.988 947 R CB 0.164 30.430 30.300 -0.056 0.000 0.871 947 R HN 0.472 nan 8.270 nan 0.000 0.458 948 S N 0.227 115.917 115.700 -0.016 0.000 2.355 948 S HA -0.136 4.336 4.470 0.004 0.000 0.222 948 S C 1.990 176.595 174.600 0.008 0.000 1.031 948 S CA 0.973 59.176 58.200 0.004 0.000 0.993 948 S CB -0.411 62.804 63.200 0.026 0.000 0.859 948 S HN 0.366 nan 8.310 nan 0.000 0.453 949 L N 0.822 122.048 121.223 0.005 0.000 2.079 949 L HA -0.071 4.271 4.340 0.004 0.000 0.210 949 L C 2.629 179.473 176.870 -0.045 0.000 1.081 949 L CA 1.425 56.249 54.840 -0.027 0.000 0.752 949 L CB -0.597 41.444 42.059 -0.031 0.000 0.896 949 L HN 0.380 nan 8.230 nan 0.000 0.433 950 I N -0.427 120.124 120.570 -0.032 0.000 2.226 950 I HA -0.299 3.873 4.170 0.004 0.000 0.245 950 I C 2.806 178.921 176.117 -0.004 0.000 1.100 950 I CA 1.171 62.456 61.300 -0.026 0.000 1.374 950 I CB -0.530 37.454 38.000 -0.025 0.000 1.057 950 I HN 0.223 nan 8.210 nan 0.000 0.413 951 A N 0.865 123.689 122.820 0.007 0.000 1.858 951 A HA -0.238 4.084 4.320 0.004 0.000 0.216 951 A C 2.193 179.801 177.584 0.040 0.000 1.190 951 A CA 1.867 53.928 52.037 0.040 0.000 0.617 951 A CB -0.675 18.356 19.000 0.050 0.000 0.827 951 A HN 0.465 nan 8.150 nan 0.000 0.443 952 E N -0.191 120.015 120.200 0.009 0.000 2.110 952 E HA -0.092 4.260 4.350 0.004 0.000 0.193 952 E C 2.256 178.828 176.600 -0.048 0.000 0.988 952 E CA 0.960 57.361 56.400 0.002 0.000 0.804 952 E CB -0.307 29.355 29.700 -0.065 0.000 0.745 952 E HN 0.624 nan 8.360 nan 0.000 0.458 953 A N 0.917 123.684 122.820 -0.090 0.000 1.898 953 A HA -0.156 4.166 4.320 0.004 0.000 0.216 953 A C 2.368 179.914 177.584 -0.064 0.000 1.181 953 A CA 1.744 53.708 52.037 -0.122 0.000 0.620 953 A CB -0.794 18.154 19.000 -0.086 0.000 0.819 953 A HN 0.165 nan 8.150 nan 0.000 0.442 954 T N -0.192 114.358 114.554 -0.007 0.000 2.708 954 T HA -0.153 4.199 4.350 0.004 0.000 0.266 954 T C 1.687 176.396 174.700 0.015 0.000 1.037 954 T CA 1.728 63.842 62.100 0.023 0.000 1.146 954 T CB -0.436 68.465 68.868 0.055 0.000 0.865 954 T HN 0.691 nan 8.240 nan 0.000 0.435 955 D N 0.657 121.076 120.400 0.033 0.000 2.104 955 D HA -0.112 4.530 4.640 0.004 0.000 0.194 955 D C 1.993 178.302 176.300 0.015 0.000 0.994 955 D CA 0.809 54.850 54.000 0.069 0.000 0.830 955 D CB -0.293 40.595 40.800 0.146 0.000 0.959 955 D HN 0.199 nan 8.370 nan 0.000 0.452 956 L N 0.390 121.520 121.223 -0.156 0.000 1.988 956 L HA -0.023 4.319 4.340 0.004 0.000 0.207 956 L C 2.197 178.982 176.870 -0.142 0.000 1.071 956 L CA 1.587 56.240 54.840 -0.311 0.000 0.744 956 L CB -0.787 40.827 42.059 -0.742 0.000 0.893 956 L HN 0.210 nan 8.230 nan 0.000 0.433 957 I N -0.102 120.401 120.570 -0.111 0.000 2.163 957 I HA -0.330 3.842 4.170 0.004 0.000 0.243 957 I C 2.664 178.677 176.117 -0.172 0.000 1.085 957 I CA 1.584 62.817 61.300 -0.112 0.000 1.347 957 I CB -0.760 37.208 38.000 -0.055 0.000 1.044 957 I HN 0.527 nan 8.210 nan 0.000 0.408 958 S N 0.768 116.394 115.700 -0.123 0.000 2.387 958 S HA -0.299 4.174 4.470 0.004 0.000 0.230 958 S C 1.894 176.463 174.600 -0.052 0.000 1.035 958 S CA 1.401 59.539 58.200 -0.104 0.000 1.014 958 S CB -0.677 62.578 63.200 0.091 0.000 0.836 958 S HN 0.535 nan 8.310 nan 0.000 0.466 959 Q N 0.408 120.202 119.800 -0.010 0.000 2.079 959 Q HA 0.068 4.411 4.340 0.004 0.000 0.200 959 Q C 2.434 178.438 176.000 0.007 0.000 0.974 959 Q CA 1.438 57.259 55.803 0.029 0.000 0.840 959 Q CB -0.331 28.439 28.738 0.054 0.000 0.898 959 Q HN 0.616 nan 8.270 nan 0.000 0.430 960 M N 0.571 120.138 119.600 -0.056 0.000 2.149 960 M HA -0.129 4.354 4.480 0.004 0.000 0.261 960 M C 1.989 178.269 176.300 -0.034 0.000 1.064 960 M CA 1.320 56.575 55.300 -0.074 0.000 1.102 960 M CB -0.238 32.252 32.600 -0.185 0.000 1.369 960 M HN 0.291 nan 8.290 nan 0.000 0.408 961 I N -2.807 117.696 120.570 -0.112 0.000 3.891 961 I HA 0.224 4.397 4.170 0.004 0.000 0.331 961 I C 0.194 176.443 176.117 0.221 0.000 1.406 961 I CA -0.585 60.695 61.300 -0.033 0.000 1.139 961 I CB -0.343 37.412 38.000 -0.409 0.000 1.056 961 I HN -0.078 nan 8.210 nan 0.000 0.399 962 D N 2.260 122.764 120.400 0.173 0.000 2.455 962 D HA -0.150 4.492 4.640 0.004 0.000 0.241 962 D C 1.192 177.669 176.300 0.295 0.000 1.138 962 D CA 0.498 54.645 54.000 0.244 0.000 0.877 962 D CB 0.591 41.494 40.800 0.172 0.000 1.187 962 D HN 0.369 nan 8.370 nan 0.000 0.451 963 H N 3.048 122.264 119.070 0.244 0.000 2.422 963 H HA -0.179 4.379 4.556 0.004 0.000 0.298 963 H C -0.140 175.232 175.328 0.073 0.000 1.098 963 H CA 0.911 57.056 56.048 0.162 0.000 1.315 963 H CB 0.454 30.313 29.762 0.163 0.000 1.382 963 H HN 0.398 nan 8.280 nan 0.000 0.523 964 D N 1.162 121.612 120.400 0.084 0.000 2.339 964 D HA 0.037 4.679 4.640 0.004 0.000 0.241 964 D C -1.492 174.803 176.300 -0.007 0.000 1.183 964 D CA -2.281 51.721 54.000 0.004 0.000 0.859 964 D CB 1.386 42.228 40.800 0.070 0.000 1.067 964 D HN 0.182 nan 8.370 nan 0.000 0.484 965 P HA -0.136 nan 4.420 nan 0.000 0.221 965 P C 1.590 178.887 177.300 -0.004 0.000 1.145 965 P CA 0.747 63.823 63.100 -0.039 0.000 0.795 965 P CB 0.436 32.091 31.700 -0.075 0.000 0.775 966 L N -0.644 120.578 121.223 -0.001 0.000 2.240 966 L HA -0.014 4.329 4.340 0.004 0.000 0.211 966 L C 2.483 179.371 176.870 0.030 0.000 1.106 966 L CA 1.252 56.099 54.840 0.012 0.000 0.793 966 L CB -0.706 41.358 42.059 0.009 0.000 0.927 966 L HN -0.103 nan 8.230 nan 0.000 0.446 967 K N 0.191 120.617 120.400 0.043 0.000 2.432 967 K HA 0.035 4.357 4.320 0.004 0.000 0.196 967 K C 0.354 176.993 176.600 0.066 0.000 1.038 967 K CA 0.147 56.469 56.287 0.059 0.000 0.986 967 K CB 0.126 32.670 32.500 0.073 0.000 0.782 967 K HN 0.268 nan 8.250 nan 0.000 0.485 968 R N 2.435 122.972 120.500 0.061 0.000 2.442 968 R HA 0.092 4.434 4.340 0.004 0.000 0.291 968 R C -2.278 174.057 176.300 0.059 0.000 1.069 968 R CA -1.512 54.625 56.100 0.062 0.000 1.022 968 R CB -0.005 30.336 30.300 0.068 0.000 0.976 968 R HN 0.027 nan 8.270 nan 0.000 0.443 969 P HA -0.062 nan 4.420 nan 0.000 0.269 969 P C -0.071 177.273 177.300 0.074 0.000 1.215 969 P CA -0.163 62.989 63.100 0.086 0.000 0.780 969 P CB 0.730 32.495 31.700 0.108 0.000 0.898 970 T N 0.003 114.606 114.554 0.082 0.000 2.860 970 T HA 0.290 4.643 4.350 0.004 0.000 0.299 970 T C 1.621 176.384 174.700 0.105 0.000 1.045 970 T CA 0.196 62.340 62.100 0.074 0.000 1.071 970 T CB 0.271 69.179 68.868 0.065 0.000 0.985 970 T HN 0.400 nan 8.240 nan 0.000 0.537 971 A N 3.855 126.756 122.820 0.136 0.000 1.884 971 A HA -0.137 4.186 4.320 0.004 0.000 0.219 971 A C 2.337 179.991 177.584 0.117 0.000 1.197 971 A CA 2.445 54.571 52.037 0.148 0.000 0.637 971 A CB -1.086 18.058 19.000 0.240 0.000 0.827 971 A HN 0.900 nan 8.150 nan 0.000 0.450 972 M N -0.360 119.309 119.600 0.114 0.000 2.108 972 M HA -0.159 4.323 4.480 0.004 0.000 0.261 972 M C 1.999 178.386 176.300 0.146 0.000 1.066 972 M CA 2.366 57.732 55.300 0.109 0.000 1.107 972 M CB -0.359 32.299 32.600 0.097 0.000 1.356 972 M HN 0.466 nan 8.290 nan 0.000 0.406 973 K N -0.995 119.502 120.400 0.161 0.000 2.147 973 K HA -0.101 4.222 4.320 0.004 0.000 0.205 973 K C 1.540 178.289 176.600 0.248 0.000 1.049 973 K CA 1.373 57.787 56.287 0.212 0.000 0.936 973 K CB -0.089 32.530 32.500 0.197 0.000 0.722 973 K HN 0.267 nan 8.250 nan 0.000 0.446 974 V N 1.453 121.494 119.914 0.212 0.000 2.295 974 V HA -0.260 3.863 4.120 0.004 0.000 0.246 974 V C 2.272 178.574 176.094 0.347 0.000 1.049 974 V CA 1.302 63.760 62.300 0.264 0.000 1.024 974 V CB -0.411 31.520 31.823 0.180 0.000 0.648 974 V HN 0.362 nan 8.190 nan 0.000 0.447 975 L N 0.069 121.402 121.223 0.183 0.000 2.079 975 L HA -0.137 4.205 4.340 0.004 0.000 0.210 975 L C 2.435 179.464 176.870 0.265 0.000 1.081 975 L CA 1.900 56.781 54.840 0.067 0.000 0.752 975 L CB -1.171 40.898 42.059 0.017 0.000 0.896 975 L HN 0.393 nan 8.230 nan 0.000 0.433 976 R N -1.476 119.214 120.500 0.318 0.000 2.313 976 R HA 0.008 4.351 4.340 0.004 0.000 0.199 976 R C 0.569 177.155 176.300 0.476 0.000 0.958 976 R CA -0.218 56.117 56.100 0.391 0.000 1.047 976 R CB -0.241 30.256 30.300 0.327 0.000 0.955 976 R HN 0.333 nan 8.270 nan 0.000 0.481 977 H N 2.838 122.098 119.070 0.316 0.000 2.732 977 H HA 0.048 4.606 4.556 0.004 0.000 0.351 977 H C -1.479 173.606 175.328 -0.406 0.000 1.090 977 H CA -1.586 54.460 56.048 -0.003 0.000 1.431 977 H CB 1.572 31.347 29.762 0.021 0.000 1.447 977 H HN -0.131 nan 8.280 nan 0.000 0.582 978 P HA -0.188 nan 4.420 nan 0.000 0.223 978 P C 1.737 178.454 177.300 -0.972 0.000 1.144 978 P CA 0.533 62.240 63.100 -2.321 0.000 0.783 978 P CB 0.216 30.487 31.700 -2.382 0.000 0.771 979 L N -0.900 120.106 121.223 -0.363 0.000 2.079 979 L HA -0.094 4.249 4.340 0.004 0.000 0.210 979 L C 1.889 178.528 176.870 -0.385 0.000 1.081 979 L CA 1.936 56.545 54.840 -0.385 0.000 0.752 979 L CB -1.264 40.437 42.059 -0.598 0.000 0.896 979 L HN -0.200 nan 8.230 nan 0.000 0.433 980 F N -2.201 117.774 119.950 0.042 0.000 2.765 980 F HA 0.099 4.629 4.527 0.004 0.000 0.302 980 F C 0.453 176.411 175.800 0.262 0.000 1.111 980 F CA -0.869 57.211 58.000 0.133 0.000 1.359 980 F CB -0.623 38.470 39.000 0.155 0.000 1.097 980 F HN -0.017 nan 8.300 nan 0.000 0.577 981 W N 3.816 125.164 121.300 0.080 0.000 2.181 981 W HA 0.223 4.885 4.660 0.004 0.000 0.335 981 W C -1.872 174.642 176.519 -0.009 0.000 1.310 981 W CA -2.924 54.432 57.345 0.019 0.000 1.226 981 W CB -0.747 28.689 29.460 -0.040 0.000 1.155 981 W HN -0.145 nan 8.180 nan 0.000 0.565 982 P HA 0.093 nan 4.420 nan 0.000 0.274 982 P C 0.406 177.714 177.300 0.012 0.000 1.231 982 P CA -0.052 63.093 63.100 0.076 0.000 0.790 982 P CB 1.230 32.950 31.700 0.034 0.000 0.951 983 K N 0.873 121.235 120.400 -0.064 0.000 2.063 983 K HA -0.139 4.183 4.320 0.004 0.000 0.208 983 K C 2.270 178.733 176.600 -0.228 0.000 1.048 983 K CA 2.208 58.325 56.287 -0.282 0.000 0.928 983 K CB -0.501 31.904 32.500 -0.159 0.000 0.713 983 K HN 0.562 nan 8.250 nan 0.000 0.442 984 S N 1.520 117.183 115.700 -0.061 0.000 2.374 984 S HA -0.273 4.199 4.470 0.004 0.000 0.227 984 S C 2.026 176.633 174.600 0.011 0.000 1.037 984 S CA 1.652 59.848 58.200 -0.007 0.000 1.024 984 S CB -0.262 62.941 63.200 0.006 0.000 0.861 984 S HN 0.309 nan 8.310 nan 0.000 0.456 985 K N 1.469 121.873 120.400 0.008 0.000 2.031 985 K HA -0.045 4.278 4.320 0.004 0.000 0.205 985 K C 2.241 178.973 176.600 0.220 0.000 1.049 985 K CA 1.130 57.452 56.287 0.058 0.000 0.939 985 K CB -0.195 32.243 32.500 -0.104 0.000 0.717 985 K HN 0.353 nan 8.250 nan 0.000 0.438 986 K N 0.896 121.407 120.400 0.186 0.000 2.044 986 K HA -0.200 4.122 4.320 0.004 0.000 0.210 986 K C 2.275 179.059 176.600 0.307 0.000 1.049 986 K CA 1.817 58.278 56.287 0.290 0.000 0.927 986 K CB -0.345 32.090 32.500 -0.109 0.000 0.713 986 K HN 0.251 nan 8.250 nan 0.000 0.443 987 L N 1.174 122.463 121.223 0.110 0.000 2.027 987 L HA -0.171 4.172 4.340 0.004 0.000 0.206 987 L C 2.348 179.307 176.870 0.149 0.000 1.074 987 L CA 1.623 56.632 54.840 0.281 0.000 0.745 987 L CB -0.211 42.039 42.059 0.319 0.000 0.898 987 L HN 0.036 nan 8.230 nan 0.000 0.433 988 E N -0.274 119.997 120.200 0.118 0.000 2.118 988 E HA -0.296 4.057 4.350 0.004 0.000 0.195 988 E C 1.842 178.468 176.600 0.044 0.000 0.992 988 E CA 1.789 58.228 56.400 0.066 0.000 0.804 988 E CB -0.476 29.321 29.700 0.163 0.000 0.741 988 E HN 0.614 nan 8.360 nan 0.000 0.458 989 F N 0.387 120.303 119.950 -0.057 0.000 2.102 989 F HA -0.144 4.386 4.527 0.004 0.000 0.298 989 F C 1.753 177.428 175.800 -0.209 0.000 1.105 989 F CA 1.446 59.197 58.000 -0.415 0.000 1.239 989 F CB -0.294 38.648 39.000 -0.097 0.000 0.991 989 F HN 0.024 nan 8.300 nan 0.000 0.474 990 L N -0.241 120.955 121.223 -0.045 0.000 2.083 990 L HA -0.243 4.100 4.340 0.004 0.000 0.209 990 L C 2.505 179.243 176.870 -0.219 0.000 1.083 990 L CA 1.134 55.895 54.840 -0.131 0.000 0.752 990 L CB -0.794 41.317 42.059 0.085 0.000 0.899 990 L HN 0.242 nan 8.230 nan 0.000 0.433 991 L N -0.572 120.540 121.223 -0.185 0.000 1.994 991 L HA -0.211 4.131 4.340 0.004 0.000 0.208 991 L C 2.775 179.513 176.870 -0.219 0.000 1.071 991 L CA 1.227 55.943 54.840 -0.208 0.000 0.745 991 L CB -0.623 41.263 42.059 -0.288 0.000 0.892 991 L HN 0.199 nan 8.230 nan 0.000 0.431 992 K N -0.039 120.203 120.400 -0.263 0.000 2.103 992 K HA -0.135 4.187 4.320 0.004 0.000 0.207 992 K C 2.086 178.505 176.600 -0.303 0.000 1.048 992 K CA 1.143 57.277 56.287 -0.255 0.000 0.930 992 K CB -0.513 31.811 32.500 -0.293 0.000 0.716 992 K HN 0.190 nan 8.250 nan 0.000 0.444 993 V N 0.982 120.634 119.914 -0.438 0.000 2.307 993 V HA -0.217 3.905 4.120 0.004 0.000 0.245 993 V C 2.597 178.506 176.094 -0.308 0.000 1.045 993 V CA 2.035 64.092 62.300 -0.405 0.000 1.024 993 V CB -0.510 31.016 31.823 -0.495 0.000 0.651 993 V HN 0.372 nan 8.190 nan 0.000 0.449 994 S N -0.422 115.119 115.700 -0.265 0.000 2.383 994 S HA -0.250 4.223 4.470 0.004 0.000 0.229 994 S C 1.778 176.276 174.600 -0.171 0.000 1.030 994 S CA 1.876 59.948 58.200 -0.213 0.000 1.002 994 S CB -0.470 62.638 63.200 -0.154 0.000 0.829 994 S HN 0.634 nan 8.310 nan 0.000 0.467 995 D N 0.659 120.968 120.400 -0.151 0.000 2.178 995 D HA -0.059 4.583 4.640 0.004 0.000 0.202 995 D C 2.129 178.362 176.300 -0.112 0.000 0.974 995 D CA 0.832 54.764 54.000 -0.113 0.000 0.841 995 D CB -0.290 40.456 40.800 -0.090 0.000 0.953 995 D HN 0.342 nan 8.370 nan 0.000 0.478 996 R N 0.580 120.997 120.500 -0.139 0.000 2.235 996 R HA 0.070 4.412 4.340 0.004 0.000 0.213 996 R C 1.951 178.172 176.300 -0.131 0.000 1.059 996 R CA 0.595 56.625 56.100 -0.117 0.000 0.997 996 R CB -0.443 29.786 30.300 -0.118 0.000 0.884 996 R HN 0.175 nan 8.270 nan 0.000 0.462 997 L N 0.036 121.146 121.223 -0.189 0.000 2.341 997 L HA 0.074 4.416 4.340 0.004 0.000 0.214 997 L C 1.618 178.411 176.870 -0.130 0.000 1.115 997 L CA 0.461 55.173 54.840 -0.213 0.000 0.820 997 L CB -0.284 41.558 42.059 -0.362 0.000 0.944 997 L HN 0.173 nan 8.230 nan 0.000 0.452 998 E N 0.471 120.610 120.200 -0.101 0.000 2.265 998 E HA -0.168 4.185 4.350 0.004 0.000 0.196 998 E C 2.084 178.656 176.600 -0.047 0.000 0.996 998 E CA 1.011 57.373 56.400 -0.063 0.000 0.832 998 E CB 0.036 29.704 29.700 -0.052 0.000 0.756 998 E HN 0.422 nan 8.360 nan 0.000 0.491 999 I N 1.366 121.906 120.570 -0.048 0.000 2.163 999 I HA -0.179 3.994 4.170 0.004 0.000 0.240 999 I C 1.013 177.116 176.117 -0.024 0.000 1.081 999 I CA 0.800 62.081 61.300 -0.031 0.000 1.353 999 I CB -0.359 37.625 38.000 -0.027 0.000 1.054 999 I HN -0.098 nan 8.210 nan 0.000 0.407 1000 E N 2.138 122.321 120.200 -0.028 0.000 2.508 1000 E HA -0.108 4.245 4.350 0.004 0.000 0.266 1000 E C -0.120 176.473 176.600 -0.012 0.000 1.010 1000 E CA 0.258 56.649 56.400 -0.015 0.000 0.955 1000 E CB -0.281 29.410 29.700 -0.014 0.000 0.946 1000 E HN 0.400 nan 8.360 nan 0.000 0.454 1001 N N 2.199 120.897 118.700 -0.004 0.000 2.434 1001 N HA -0.041 4.701 4.740 0.004 0.000 0.268 1001 N C 0.946 176.455 175.510 -0.002 0.000 1.256 1001 N CA -0.083 52.966 53.050 -0.003 0.000 0.914 1001 N CB 0.564 39.051 38.487 0.001 0.000 1.088 1001 N HN 0.156 nan 8.380 nan 0.000 0.478 1002 R N 1.161 121.659 120.500 -0.003 0.000 2.285 1002 R HA -0.059 4.283 4.340 0.004 0.000 0.213 1002 R C -0.403 175.897 176.300 -0.001 0.000 1.068 1002 R CA 0.760 56.859 56.100 -0.000 0.000 1.004 1002 R CB -0.019 30.284 30.300 0.004 0.000 0.873 1002 R HN 0.572 nan 8.270 nan 0.000 0.467 1003 D N -0.151 120.248 120.400 -0.001 0.000 2.726 1003 D HA 0.133 4.775 4.640 0.004 0.000 0.203 1003 D C -2.651 173.648 176.300 -0.001 0.000 1.297 1003 D CA -1.381 52.618 54.000 -0.002 0.000 0.863 1003 D CB 1.404 42.202 40.800 -0.003 0.000 1.669 1003 D HN -0.186 nan 8.370 nan 0.000 0.561 1004 P HA 0.325 nan 4.420 nan 0.000 0.276 1004 P C -2.538 174.764 177.300 0.002 0.000 1.230 1004 P CA -1.169 61.931 63.100 -0.000 0.000 0.776 1004 P CB 0.067 31.768 31.700 0.001 0.000 0.888 1005 P HA -0.074 nan 4.420 nan 0.000 0.260 1005 P C 0.576 177.886 177.300 0.015 0.000 1.172 1005 P CA 0.438 63.542 63.100 0.008 0.000 0.760 1005 P CB 0.240 31.944 31.700 0.007 0.000 0.773 1006 S N 2.757 118.468 115.700 0.020 0.000 2.641 1006 S HA 0.347 4.819 4.470 0.004 0.000 0.261 1006 S C 1.695 176.316 174.600 0.036 0.000 1.257 1006 S CA -0.030 58.184 58.200 0.024 0.000 0.983 1006 S CB 0.315 63.529 63.200 0.022 0.000 0.990 1006 S HN 0.477 nan 8.310 nan 0.000 0.572 1007 A N 0.694 123.535 122.820 0.035 0.000 1.884 1007 A HA -0.063 4.260 4.320 0.004 0.000 0.219 1007 A C 2.279 179.901 177.584 0.063 0.000 1.197 1007 A CA 1.826 53.886 52.037 0.039 0.000 0.637 1007 A CB -1.378 17.641 19.000 0.031 0.000 0.827 1007 A HN 0.808 nan 8.150 nan 0.000 0.450 1008 L N -0.770 120.505 121.223 0.086 0.000 1.955 1008 L HA -0.204 4.139 4.340 0.004 0.000 0.213 1008 L C 2.603 179.614 176.870 0.234 0.000 1.072 1008 L CA 1.287 56.225 54.840 0.165 0.000 0.755 1008 L CB -0.583 41.579 42.059 0.173 0.000 0.888 1008 L HN 0.358 nan 8.230 nan 0.000 0.432 1009 L N -0.771 120.545 121.223 0.154 0.000 2.137 1009 L HA -0.298 4.045 4.340 0.004 0.000 0.213 1009 L C 2.706 179.669 176.870 0.155 0.000 1.085 1009 L CA 1.772 56.696 54.840 0.140 0.000 0.760 1009 L CB -0.831 41.262 42.059 0.056 0.000 0.893 1009 L HN 0.418 nan 8.230 nan 0.000 0.434 1010 M N -0.586 119.078 119.600 0.106 0.000 2.077 1010 M HA -0.162 4.321 4.480 0.004 0.000 0.261 1010 M C 2.133 178.476 176.300 0.072 0.000 1.070 1010 M CA 1.406 56.750 55.300 0.074 0.000 1.125 1010 M CB -0.982 31.644 32.600 0.043 0.000 1.339 1010 M HN 0.174 nan 8.290 nan 0.000 0.409 1011 K N -0.254 120.179 120.400 0.055 0.000 2.160 1011 K HA -0.130 4.192 4.320 0.004 0.000 0.206 1011 K C 2.006 178.556 176.600 -0.083 0.000 1.047 1011 K CA 1.441 57.706 56.287 -0.036 0.000 0.930 1011 K CB -0.571 31.875 32.500 -0.090 0.000 0.720 1011 K HN 0.269 nan 8.250 nan 0.000 0.450 1012 F N 1.592 121.547 119.950 0.008 0.000 2.118 1012 F HA -0.139 4.390 4.527 0.004 0.000 0.293 1012 F C 2.358 178.176 175.800 0.030 0.000 1.102 1012 F CA 1.238 59.248 58.000 0.015 0.000 1.247 1012 F CB -0.378 38.626 39.000 0.007 0.000 1.017 1012 F HN 0.036 nan 8.300 nan 0.000 0.475 1013 D N 0.360 120.895 120.400 0.224 0.000 2.228 1013 D HA -0.200 4.443 4.640 0.004 0.000 0.203 1013 D C 2.114 178.478 176.300 0.107 0.000 0.988 1013 D CA 1.226 55.313 54.000 0.144 0.000 0.864 1013 D CB -0.196 40.664 40.800 0.100 0.000 0.928 1013 D HN 0.220 nan 8.370 nan 0.000 0.469 1014 A N 0.044 122.908 122.820 0.074 0.000 1.877 1014 A HA 0.002 4.324 4.320 0.004 0.000 0.216 1014 A C 2.422 180.038 177.584 0.054 0.000 1.186 1014 A CA 1.978 54.040 52.037 0.041 0.000 0.620 1014 A CB -1.206 17.793 19.000 -0.002 0.000 0.822 1014 A HN 0.345 nan 8.150 nan 0.000 0.443 1015 G N -0.757 108.073 108.800 0.050 0.000 2.471 1015 G HA2 -0.083 3.880 3.960 0.004 0.000 0.219 1015 G HA3 -0.083 3.880 3.960 0.004 0.000 0.219 1015 G C 1.665 176.684 174.900 0.199 0.000 1.125 1015 G CA 1.186 46.343 45.100 0.095 0.000 0.775 1015 G HN 0.477 nan 8.290 nan 0.000 0.548 1016 S N 0.752 116.550 115.700 0.163 0.000 2.380 1016 S HA -0.178 4.295 4.470 0.004 0.000 0.229 1016 S C 1.757 176.457 174.600 0.166 0.000 1.043 1016 S CA 1.333 59.628 58.200 0.159 0.000 1.038 1016 S CB -0.277 63.011 63.200 0.147 0.000 0.872 1016 S HN 0.366 nan 8.310 nan 0.000 0.456 1017 D N -0.586 119.911 120.400 0.162 0.000 2.368 1017 D HA 0.048 4.690 4.640 0.004 0.000 0.250 1017 D C 0.648 177.077 176.300 0.214 0.000 1.142 1017 D CA 0.196 54.287 54.000 0.153 0.000 0.925 1017 D CB -0.056 40.814 40.800 0.118 0.000 0.896 1017 D HN 0.507 nan 8.370 nan 0.000 0.525 1018 F N -1.743 118.241 119.950 0.058 0.000 2.675 1018 F HA 0.048 4.578 4.527 0.004 0.000 0.315 1018 F C 1.427 177.270 175.800 0.071 0.000 0.888 1018 F CA -0.010 58.022 58.000 0.055 0.000 1.100 1018 F CB 0.038 39.062 39.000 0.041 0.000 0.908 1018 F HN -0.198 nan 8.300 nan 0.000 0.657 1019 V N 0.980 120.914 119.914 0.034 0.000 2.591 1019 V HA -0.145 3.978 4.120 0.004 0.000 0.249 1019 V C 2.019 178.107 176.094 -0.010 0.000 1.053 1019 V CA 1.467 63.724 62.300 -0.072 0.000 1.068 1019 V CB -0.384 31.485 31.823 0.077 0.000 0.689 1019 V HN 0.286 nan 8.190 nan 0.000 0.462 1020 I N 0.449 121.052 120.570 0.054 0.000 2.185 1020 I HA 0.005 4.178 4.170 0.004 0.000 0.235 1020 I C -0.435 175.781 176.117 0.166 0.000 1.069 1020 I CA 1.341 62.730 61.300 0.148 0.000 1.354 1020 I CB -1.483 36.619 38.000 0.170 0.000 1.093 1020 I HN 0.335 nan 8.210 nan 0.000 0.411 1021 P HA 0.150 nan 4.420 nan 0.000 0.275 1021 P C 0.981 178.335 177.300 0.089 0.000 1.310 1021 P CA 0.318 63.470 63.100 0.087 0.000 0.904 1021 P CB -0.023 31.712 31.700 0.059 0.000 1.381 1022 S N -0.685 115.071 115.700 0.094 0.000 2.584 1022 S HA 0.094 4.567 4.470 0.004 0.000 0.240 1022 S C 1.801 176.447 174.600 0.076 0.000 0.975 1022 S CA 0.892 59.136 58.200 0.073 0.000 0.949 1022 S CB -1.549 61.690 63.200 0.064 0.000 0.761 1022 S HN 0.312 nan 8.310 nan 0.000 0.536 1023 G N 0.329 109.189 108.800 0.100 0.000 2.199 1023 G HA2 -0.225 3.737 3.960 0.004 0.000 0.254 1023 G HA3 -0.225 3.737 3.960 0.004 0.000 0.254 1023 G C -0.285 174.663 174.900 0.080 0.000 0.982 1023 G CA 0.194 45.346 45.100 0.088 0.000 0.632 1023 G HN 0.739 nan 8.290 nan 0.000 0.529 1024 D N -0.614 119.840 120.400 0.092 0.000 2.764 1024 D HA 0.349 4.992 4.640 0.004 0.000 0.227 1024 D C 1.079 177.457 176.300 0.131 0.000 1.347 1024 D CA -0.391 53.620 54.000 0.018 0.000 0.953 1024 D CB 0.026 40.808 40.800 -0.030 0.000 1.476 1024 D HN 0.285 nan 8.370 nan 0.000 0.585 1025 W N 2.693 124.103 121.300 0.183 0.000 3.114 1025 W HA 0.086 4.749 4.660 0.004 0.000 0.279 1025 W C 0.420 177.177 176.519 0.397 0.000 1.277 1025 W CA -0.031 57.511 57.345 0.327 0.000 1.630 1025 W CB -0.846 28.694 29.460 0.133 0.000 1.087 1025 W HN 0.188 nan 8.180 nan 0.000 0.637 1026 T N 3.092 117.559 114.554 -0.145 0.000 2.737 1026 T HA -0.263 4.089 4.350 0.004 0.000 0.269 1026 T C 2.207 177.017 174.700 0.183 0.000 1.040 1026 T CA 2.923 64.997 62.100 -0.043 0.000 1.142 1026 T CB -0.666 68.040 68.868 -0.269 0.000 0.861 1026 T HN 0.207 nan 8.240 nan 0.000 0.456 1027 V N -0.120 119.844 119.914 0.084 0.000 2.568 1027 V HA -0.052 4.071 4.120 0.004 0.000 0.253 1027 V C 1.812 177.878 176.094 -0.045 0.000 1.072 1027 V CA 1.345 63.660 62.300 0.024 0.000 1.084 1027 V CB -0.595 31.225 31.823 -0.004 0.000 0.676 1027 V HN 0.236 nan 8.190 nan 0.000 0.469 1028 K N 0.050 120.379 120.400 -0.117 0.000 2.569 1028 K HA 0.296 4.618 4.320 0.004 0.000 0.193 1028 K C -0.329 175.806 176.600 -0.775 0.000 1.026 1028 K CA 0.169 56.151 56.287 -0.509 0.000 1.093 1028 K CB -0.373 31.636 32.500 -0.818 0.000 0.849 1028 K HN 0.611 nan 8.250 nan 0.000 0.509 1029 F N 0.349 120.237 119.950 -0.103 0.000 2.576 1029 F HA 0.183 4.713 4.527 0.004 0.000 0.313 1029 F C 0.279 176.060 175.800 -0.032 0.000 1.078 1029 F CA -1.466 56.432 58.000 -0.171 0.000 0.921 1029 F CB 1.297 40.202 39.000 -0.157 0.000 1.232 1029 F HN -0.152 nan 8.300 nan 0.000 0.459 1030 D N 1.179 121.712 120.400 0.222 0.000 2.419 1030 D HA -0.005 4.637 4.640 0.004 0.000 0.236 1030 D C 0.983 177.434 176.300 0.251 0.000 1.165 1030 D CA 0.137 54.260 54.000 0.204 0.000 0.882 1030 D CB 0.754 41.692 40.800 0.231 0.000 1.201 1030 D HN 0.517 nan 8.370 nan 0.000 0.443 1031 K N 0.094 120.592 120.400 0.163 0.000 2.097 1031 K HA -0.147 4.176 4.320 0.004 0.000 0.205 1031 K C 1.811 178.499 176.600 0.147 0.000 1.050 1031 K CA 1.372 57.743 56.287 0.140 0.000 0.938 1031 K CB -0.068 32.483 32.500 0.085 0.000 0.718 1031 K HN 0.627 nan 8.250 nan 0.000 0.442 1032 T N -0.681 113.960 114.554 0.145 0.000 2.684 1032 T HA -0.229 4.124 4.350 0.004 0.000 0.267 1032 T C 1.739 176.527 174.700 0.147 0.000 1.036 1032 T CA 1.350 63.522 62.100 0.120 0.000 1.148 1032 T CB -0.783 68.149 68.868 0.107 0.000 0.863 1032 T HN 0.330 nan 8.240 nan 0.000 0.436 1033 F N 1.455 121.449 119.950 0.074 0.000 2.161 1033 F HA -0.044 4.485 4.527 0.004 0.000 0.300 1033 F C 2.279 178.097 175.800 0.031 0.000 1.089 1033 F CA 1.349 59.386 58.000 0.062 0.000 1.282 1033 F CB -0.306 38.772 39.000 0.131 0.000 1.010 1033 F HN 0.017 nan 8.300 nan 0.000 0.485 1034 M N -0.105 119.632 119.600 0.228 0.000 2.248 1034 M HA -0.108 4.375 4.480 0.004 0.000 0.265 1034 M C 1.695 178.000 176.300 0.008 0.000 1.079 1034 M CA 1.239 56.607 55.300 0.114 0.000 1.150 1034 M CB -1.072 31.643 32.600 0.191 0.000 1.366 1034 M HN 0.074 nan 8.290 nan 0.000 0.433 1035 D N 1.262 121.680 120.400 0.030 0.000 2.092 1035 D HA -0.181 4.461 4.640 0.004 0.000 0.193 1035 D C 1.451 177.746 176.300 -0.008 0.000 0.994 1035 D CA 1.678 55.688 54.000 0.016 0.000 0.828 1035 D CB -0.708 40.107 40.800 0.025 0.000 0.963 1035 D HN 0.531 nan 8.370 nan 0.000 0.450 1036 N N -0.096 118.579 118.700 -0.042 0.000 2.550 1036 N HA -0.083 4.660 4.740 0.004 0.000 0.186 1036 N C 1.422 176.889 175.510 -0.071 0.000 1.110 1036 N CA 0.374 53.390 53.050 -0.057 0.000 0.912 1036 N CB -0.072 38.369 38.487 -0.076 0.000 0.968 1036 N HN 0.124 nan 8.380 nan 0.000 0.448 1037 L N 0.621 121.784 121.223 -0.101 0.000 2.116 1037 L HA 0.201 4.544 4.340 0.004 0.000 0.200 1037 L C 1.521 178.475 176.870 0.140 0.000 1.084 1037 L CA 1.584 56.383 54.840 -0.068 0.000 0.766 1037 L CB -0.872 41.026 42.059 -0.268 0.000 0.930 1037 L HN 0.148 nan 8.230 nan 0.000 0.453 1038 E N 0.047 120.318 120.200 0.118 0.000 2.533 1038 E HA -0.202 4.151 4.350 0.004 0.000 0.201 1038 E C 1.895 178.546 176.600 0.084 0.000 1.097 1038 E CA 0.060 56.562 56.400 0.169 0.000 0.887 1038 E CB -0.102 29.666 29.700 0.114 0.000 0.855 1038 E HN 0.382 nan 8.360 nan 0.000 0.540 1039 R N 0.763 121.319 120.500 0.094 0.000 2.080 1039 R HA -0.227 4.116 4.340 0.004 0.000 0.236 1039 R C 2.267 178.621 176.300 0.091 0.000 1.137 1039 R CA 1.986 58.130 56.100 0.073 0.000 0.943 1039 R CB -0.325 30.012 30.300 0.061 0.000 0.846 1039 R HN 0.384 nan 8.270 nan 0.000 0.431 1040 Y N -0.804 119.483 120.300 -0.020 0.000 2.476 1040 Y HA 0.333 4.885 4.550 0.004 0.000 0.283 1040 Y C 0.756 176.624 175.900 -0.053 0.000 1.109 1040 Y CA -0.191 57.886 58.100 -0.038 0.000 1.246 1040 Y CB 0.282 38.709 38.460 -0.055 0.000 1.068 1040 Y HN -0.040 nan 8.280 nan 0.000 0.552 1041 R N 1.238 121.280 120.500 -0.763 0.000 2.752 1041 R HA 0.327 4.670 4.340 0.004 0.000 0.271 1041 R C -1.609 174.374 176.300 -0.529 0.000 1.026 1041 R CA -1.037 54.565 56.100 -0.831 0.000 0.901 1041 R CB 1.708 31.169 30.300 -1.398 0.000 1.243 1041 R HN 0.250 nan 8.270 nan 0.000 0.463 1042 K N 1.108 121.205 120.400 -0.505 0.000 2.156 1042 K HA 0.383 4.706 4.320 0.004 0.000 0.250 1042 K C -1.544 174.725 176.600 -0.550 0.000 0.955 1042 K CA -0.506 55.575 56.287 -0.343 0.000 0.855 1042 K CB 1.385 33.745 32.500 -0.234 0.000 1.101 1042 K HN 0.400 nan 8.250 nan 0.000 0.434 1043 Y N 0.003 120.175 120.300 -0.213 0.000 2.499 1043 Y HA 0.261 4.814 4.550 0.004 0.000 0.347 1043 Y C -0.702 175.047 175.900 -0.251 0.000 0.987 1043 Y CA -1.080 56.919 58.100 -0.169 0.000 1.044 1043 Y CB 1.950 40.491 38.460 0.135 0.000 1.245 1043 Y HN 0.633 nan 8.280 nan 0.000 0.461 1044 H N -0.421 118.797 119.070 0.247 0.000 2.652 1044 H HA 0.165 4.723 4.556 0.004 0.000 0.298 1044 H C 0.802 176.223 175.328 0.154 0.000 1.076 1044 H CA -0.107 56.029 56.048 0.146 0.000 1.360 1044 H CB 1.144 30.981 29.762 0.124 0.000 1.421 1044 H HN 0.709 nan 8.280 nan 0.000 0.464 1045 S N 1.391 117.102 115.700 0.018 0.000 2.547 1045 S HA -0.168 4.304 4.470 0.004 0.000 0.235 1045 S C 1.630 176.161 174.600 -0.114 0.000 0.980 1045 S CA 0.886 58.870 58.200 -0.361 0.000 0.941 1045 S CB -0.134 62.833 63.200 -0.388 0.000 0.763 1045 S HN 0.643 nan 8.310 nan 0.000 0.532 1046 S N -0.108 115.680 115.700 0.147 0.000 2.497 1046 S HA 0.294 4.767 4.470 0.004 0.000 0.218 1046 S C 0.468 175.235 174.600 0.279 0.000 1.023 1046 S CA -0.463 57.852 58.200 0.193 0.000 0.913 1046 S CB -0.230 63.041 63.200 0.120 0.000 0.800 1046 S HN 0.410 nan 8.310 nan 0.000 0.505 1047 K N 1.690 122.294 120.400 0.340 0.000 2.258 1047 K HA 0.322 4.645 4.320 0.004 0.000 0.284 1047 K C 0.815 177.580 176.600 0.276 0.000 1.051 1047 K CA -0.342 56.111 56.287 0.277 0.000 0.923 1047 K CB 0.859 33.506 32.500 0.246 0.000 1.046 1047 K HN 0.230 nan 8.250 nan 0.000 0.474 1048 L N 5.138 126.458 121.223 0.161 0.000 1.994 1048 L HA -0.223 4.119 4.340 0.004 0.000 0.208 1048 L C 2.226 179.100 176.870 0.006 0.000 1.071 1048 L CA 1.444 56.312 54.840 0.047 0.000 0.745 1048 L CB -0.151 41.971 42.059 0.105 0.000 0.892 1048 L HN 0.908 nan 8.230 nan 0.000 0.431 1049 M N -0.154 119.480 119.600 0.058 0.000 2.128 1049 M HA -0.340 4.142 4.480 0.004 0.000 0.253 1049 M C 1.724 178.028 176.300 0.008 0.000 1.079 1049 M CA 2.366 57.654 55.300 -0.018 0.000 1.082 1049 M CB -0.807 31.793 32.600 -0.001 0.000 1.335 1049 M HN 0.391 nan 8.290 nan 0.000 0.401 1050 D N 0.045 120.521 120.400 0.127 0.000 2.103 1050 D HA -0.112 4.530 4.640 0.004 0.000 0.199 1050 D C 1.925 178.239 176.300 0.024 0.000 0.978 1050 D CA 1.131 55.280 54.000 0.248 0.000 0.829 1050 D CB -0.488 40.623 40.800 0.517 0.000 0.981 1050 D HN 0.405 nan 8.370 nan 0.000 0.464 1051 L N 1.003 122.022 121.223 -0.341 0.000 2.051 1051 L HA -0.189 4.154 4.340 0.004 0.000 0.214 1051 L C 2.083 178.630 176.870 -0.539 0.000 1.076 1051 L CA 1.480 55.659 54.840 -1.102 0.000 0.758 1051 L CB -0.823 40.368 42.059 -1.446 0.000 0.890 1051 L HN -0.010 nan 8.230 nan 0.000 0.433 1052 L N 0.152 121.190 121.223 -0.309 0.000 1.970 1052 L HA -0.216 4.127 4.340 0.004 0.000 0.212 1052 L C 2.869 179.651 176.870 -0.148 0.000 1.071 1052 L CA 2.423 57.139 54.840 -0.207 0.000 0.751 1052 L CB -1.032 40.931 42.059 -0.160 0.000 0.889 1052 L HN 0.511 nan 8.230 nan 0.000 0.432 1053 R N -0.255 120.205 120.500 -0.067 0.000 2.091 1053 R HA -0.160 4.182 4.340 0.004 0.000 0.238 1053 R C 2.124 178.472 176.300 0.080 0.000 1.136 1053 R CA 1.750 57.871 56.100 0.034 0.000 0.959 1053 R CB -0.703 29.675 30.300 0.130 0.000 0.856 1053 R HN 0.439 nan 8.270 nan 0.000 0.437 1054 A N 1.141 123.969 122.820 0.014 0.000 1.917 1054 A HA -0.191 4.132 4.320 0.004 0.000 0.219 1054 A C 2.255 179.860 177.584 0.035 0.000 1.182 1054 A CA 1.680 53.676 52.037 -0.068 0.000 0.633 1054 A CB -0.815 17.993 19.000 -0.320 0.000 0.819 1054 A HN 0.506 nan 8.150 nan 0.000 0.448 1055 L N -0.938 120.233 121.223 -0.086 0.000 2.017 1055 L HA -0.204 4.139 4.340 0.004 0.000 0.208 1055 L C 2.733 179.627 176.870 0.040 0.000 1.073 1055 L CA 1.966 56.626 54.840 -0.299 0.000 0.745 1055 L CB -0.359 41.273 42.059 -0.712 0.000 0.894 1055 L HN 0.427 nan 8.230 nan 0.000 0.432 1056 R N 0.482 121.004 120.500 0.037 0.000 2.080 1056 R HA -0.213 4.130 4.340 0.004 0.000 0.236 1056 R C 1.954 178.416 176.300 0.270 0.000 1.137 1056 R CA 2.231 58.404 56.100 0.120 0.000 0.943 1056 R CB -0.935 29.386 30.300 0.035 0.000 0.846 1056 R HN 0.498 nan 8.270 nan 0.000 0.431 1057 N N 1.107 119.949 118.700 0.236 0.000 2.061 1057 N HA -0.160 4.583 4.740 0.004 0.000 0.193 1057 N C 1.659 177.406 175.510 0.395 0.000 1.030 1057 N CA 1.111 54.342 53.050 0.302 0.000 0.856 1057 N CB -0.270 38.377 38.487 0.266 0.000 1.023 1057 N HN 0.172 nan 8.380 nan 0.000 0.424 1058 K N 0.355 120.980 120.400 0.376 0.000 2.103 1058 K HA -0.161 4.162 4.320 0.004 0.000 0.207 1058 K C 1.975 178.907 176.600 0.554 0.000 1.048 1058 K CA 0.747 57.319 56.287 0.476 0.000 0.930 1058 K CB -0.608 32.277 32.500 0.642 0.000 0.716 1058 K HN 0.377 nan 8.250 nan 0.000 0.444 1059 Y N 0.896 121.386 120.300 0.316 0.000 2.089 1059 Y HA -0.269 4.284 4.550 0.004 0.000 0.282 1059 Y C 2.416 178.307 175.900 -0.014 0.000 1.139 1059 Y CA 1.925 59.958 58.100 -0.111 0.000 1.123 1059 Y CB -0.320 38.009 38.460 -0.218 0.000 0.980 1059 Y HN 0.205 nan 8.280 nan 0.000 0.493 1060 H N -1.358 117.831 119.070 0.198 0.000 2.290 1060 H HA -0.140 4.419 4.556 0.004 0.000 0.298 1060 H C 1.084 176.346 175.328 -0.111 0.000 1.087 1060 H CA 2.319 58.368 56.048 0.003 0.000 1.291 1060 H CB -0.561 29.150 29.762 -0.085 0.000 1.369 1060 H HN 0.414 nan 8.280 nan 0.000 0.492 1061 H N -0.632 118.544 119.070 0.177 0.000 2.787 1061 H HA 0.031 4.589 4.556 0.004 0.000 0.302 1061 H C 0.885 176.257 175.328 0.073 0.000 1.098 1061 H CA -0.183 55.914 56.048 0.081 0.000 1.192 1061 H CB -0.427 29.353 29.762 0.030 0.000 1.316 1061 H HN 0.285 nan 8.280 nan 0.000 0.590 1062 F N 0.401 120.333 119.950 -0.030 0.000 2.163 1062 F HA -0.133 4.397 4.527 0.004 0.000 0.297 1062 F C 1.824 177.595 175.800 -0.049 0.000 1.094 1062 F CA 1.063 59.024 58.000 -0.065 0.000 1.290 1062 F CB 0.101 38.957 39.000 -0.241 0.000 1.017 1062 F HN 0.186 nan 8.300 nan 0.000 0.483 1063 M N 0.185 119.793 119.600 0.013 0.000 2.296 1063 M HA -0.163 4.320 4.480 0.004 0.000 0.265 1063 M C 1.244 177.493 176.300 -0.085 0.000 1.064 1063 M CA 1.191 56.459 55.300 -0.054 0.000 1.109 1063 M CB -0.604 31.991 32.600 -0.009 0.000 1.396 1063 M HN -0.054 nan 8.290 nan 0.000 0.430 1064 D N -0.052 120.321 120.400 -0.044 0.000 2.363 1064 D HA 0.080 4.723 4.640 0.004 0.000 0.220 1064 D C 0.407 176.666 176.300 -0.068 0.000 0.994 1064 D CA 0.442 54.428 54.000 -0.024 0.000 0.890 1064 D CB -0.049 40.783 40.800 0.054 0.000 0.906 1064 D HN 0.285 nan 8.370 nan 0.000 0.530 1065 L N 1.151 122.286 121.223 -0.147 0.000 2.421 1065 L HA 0.292 4.635 4.340 0.004 0.000 0.263 1065 L C -1.927 174.851 176.870 -0.152 0.000 1.122 1065 L CA -1.895 52.845 54.840 -0.167 0.000 0.804 1065 L CB 0.106 42.004 42.059 -0.269 0.000 1.150 1065 L HN -0.302 nan 8.230 nan 0.000 0.457 1066 P HA 0.008 nan 4.420 nan 0.000 0.266 1066 P C -0.006 177.236 177.300 -0.096 0.000 1.195 1066 P CA -0.229 62.824 63.100 -0.079 0.000 0.768 1066 P CB 0.474 32.145 31.700 -0.049 0.000 0.838 1067 E N 1.606 121.762 120.200 -0.073 0.000 2.331 1067 E HA -0.250 4.103 4.350 0.004 0.000 0.199 1067 E C 1.023 177.598 176.600 -0.043 0.000 1.008 1067 E CA 1.495 57.857 56.400 -0.065 0.000 0.843 1067 E CB -0.631 29.047 29.700 -0.036 0.000 0.761 1067 E HN 0.500 nan 8.360 nan 0.000 0.507 1068 D N 1.336 121.717 120.400 -0.032 0.000 2.144 1068 D HA -0.127 4.516 4.640 0.004 0.000 0.207 1068 D C 1.899 178.194 176.300 -0.008 0.000 0.970 1068 D CA 0.514 54.508 54.000 -0.009 0.000 0.853 1068 D CB -0.324 40.477 40.800 0.002 0.000 1.007 1068 D HN 0.180 nan 8.370 nan 0.000 0.469 1069 I N 2.057 122.613 120.570 -0.023 0.000 2.335 1069 I HA -0.194 3.979 4.170 0.004 0.000 0.251 1069 I C 2.719 178.806 176.117 -0.050 0.000 1.129 1069 I CA 0.935 62.225 61.300 -0.017 0.000 1.402 1069 I CB -1.445 36.541 38.000 -0.024 0.000 1.069 1069 I HN 0.071 nan 8.210 nan 0.000 0.424 1070 A N 0.402 123.146 122.820 -0.127 0.000 1.877 1070 A HA -0.244 4.078 4.320 0.004 0.000 0.216 1070 A C 2.387 180.008 177.584 0.061 0.000 1.186 1070 A CA 1.782 53.707 52.037 -0.186 0.000 0.620 1070 A CB -0.705 18.095 19.000 -0.334 0.000 0.822 1070 A HN 0.505 nan 8.150 nan 0.000 0.443 1071 E N -0.192 120.036 120.200 0.046 0.000 2.204 1071 E HA -0.147 4.206 4.350 0.004 0.000 0.195 1071 E C 1.896 178.555 176.600 0.099 0.000 0.990 1071 E CA 0.728 57.180 56.400 0.086 0.000 0.821 1071 E CB -0.179 29.555 29.700 0.057 0.000 0.750 1071 E HN 0.657 nan 8.360 nan 0.000 0.477 1072 L N -0.102 121.165 121.223 0.075 0.000 1.994 1072 L HA -0.209 4.134 4.340 0.004 0.000 0.208 1072 L C 2.603 179.520 176.870 0.078 0.000 1.071 1072 L CA 1.436 56.329 54.840 0.088 0.000 0.745 1072 L CB -0.280 41.825 42.059 0.077 0.000 0.892 1072 L HN 0.295 nan 8.230 nan 0.000 0.431 1073 M N -0.999 118.588 119.600 -0.022 0.000 2.514 1073 M HA 0.115 4.597 4.480 0.004 0.000 0.258 1073 M C 1.202 177.660 176.300 0.264 0.000 1.119 1073 M CA 0.171 55.415 55.300 -0.093 0.000 1.111 1073 M CB -0.351 32.150 32.600 -0.165 0.000 1.390 1073 M HN 0.176 nan 8.290 nan 0.000 0.475 1074 G N 1.948 110.943 108.800 0.325 0.000 2.651 1074 G HA2 0.378 4.341 3.960 0.004 0.000 0.260 1074 G HA3 0.378 4.341 3.960 0.004 0.000 0.260 1074 G C -2.548 172.482 174.900 0.217 0.000 1.216 1074 G CA -0.879 44.416 45.100 0.325 0.000 0.913 1074 G HN 0.065 nan 8.290 nan 0.000 0.535 1075 P HA 0.366 nan 4.420 nan 0.000 0.281 1075 P C -0.524 176.841 177.300 0.109 0.000 1.264 1075 P CA -0.542 62.647 63.100 0.147 0.000 0.824 1075 P CB 1.478 33.240 31.700 0.103 0.000 1.092 1076 V N 2.626 122.520 119.914 -0.034 0.000 2.509 1076 V HA 0.194 4.316 4.120 0.004 0.000 0.284 1076 V C -1.144 174.927 176.094 -0.039 0.000 1.047 1076 V CA -0.743 61.476 62.300 -0.135 0.000 0.952 1076 V CB 0.596 32.098 31.823 -0.534 0.000 0.988 1076 V HN 0.624 nan 8.190 nan 0.000 0.469 1077 P HA 0.108 nan 4.420 nan 0.000 0.229 1077 P C 0.977 178.423 177.300 0.243 0.000 1.160 1077 P CA 0.147 63.322 63.100 0.124 0.000 0.855 1077 P CB 0.352 32.127 31.700 0.124 0.000 0.898 1078 D N 0.500 121.007 120.400 0.178 0.000 2.154 1078 D HA -0.177 4.466 4.640 0.004 0.000 0.190 1078 D C 2.095 178.569 176.300 0.292 0.000 1.003 1078 D CA 2.078 56.202 54.000 0.207 0.000 0.849 1078 D CB -0.868 40.014 40.800 0.137 0.000 0.942 1078 D HN 0.239 nan 8.370 nan 0.000 0.446 1079 G N 0.213 109.167 108.800 0.256 0.000 2.404 1079 G HA2 -0.256 3.706 3.960 0.004 0.000 0.215 1079 G HA3 -0.256 3.706 3.960 0.004 0.000 0.215 1079 G C 1.511 176.628 174.900 0.362 0.000 1.174 1079 G CA 0.383 45.644 45.100 0.268 0.000 0.780 1079 G HN 0.236 nan 8.290 nan 0.000 0.537 1080 F N 0.458 120.555 119.950 0.245 0.000 2.087 1080 F HA -0.212 4.317 4.527 0.004 0.000 0.299 1080 F C 2.346 178.448 175.800 0.504 0.000 1.100 1080 F CA 1.982 60.180 58.000 0.330 0.000 1.226 1080 F CB -0.334 38.784 39.000 0.196 0.000 0.983 1080 F HN 0.225 nan 8.300 nan 0.000 0.479 1081 Y N 1.368 121.970 120.300 0.504 0.000 2.097 1081 Y HA -0.274 4.279 4.550 0.004 0.000 0.282 1081 Y C 2.301 178.387 175.900 0.311 0.000 1.152 1081 Y CA 2.230 60.569 58.100 0.397 0.000 1.136 1081 Y CB -0.875 37.771 38.460 0.311 0.000 0.975 1081 Y HN 0.077 nan 8.280 nan 0.000 0.498 1082 D N -0.869 119.690 120.400 0.265 0.000 2.178 1082 D HA -0.245 4.398 4.640 0.004 0.000 0.201 1082 D C 1.953 178.264 176.300 0.019 0.000 0.980 1082 D CA 1.533 55.585 54.000 0.087 0.000 0.842 1082 D CB -0.786 40.106 40.800 0.155 0.000 0.948 1082 D HN 0.533 nan 8.370 nan 0.000 0.472 1083 Y N 0.039 120.314 120.300 -0.041 0.000 2.151 1083 Y HA -0.288 4.265 4.550 0.004 0.000 0.284 1083 Y C 1.853 177.554 175.900 -0.331 0.000 1.166 1083 Y CA 1.656 59.633 58.100 -0.205 0.000 1.163 1083 Y CB -0.251 38.042 38.460 -0.277 0.000 0.974 1083 Y HN -0.112 nan 8.280 nan 0.000 0.511 1084 F N -1.978 117.940 119.950 -0.053 0.000 2.317 1084 F HA -0.042 4.488 4.527 0.004 0.000 0.293 1084 F C 2.471 178.197 175.800 -0.124 0.000 1.085 1084 F CA 1.292 59.277 58.000 -0.025 0.000 1.390 1084 F CB -0.939 38.092 39.000 0.052 0.000 1.077 1084 F HN -0.197 nan 8.300 nan 0.000 0.517 1085 T N 0.229 114.721 114.554 -0.104 0.000 2.708 1085 T HA -0.168 4.184 4.350 0.004 0.000 0.266 1085 T C 1.909 176.510 174.700 -0.166 0.000 1.037 1085 T CA 1.435 63.400 62.100 -0.226 0.000 1.146 1085 T CB -0.173 68.390 68.868 -0.509 0.000 0.865 1085 T HN 0.144 nan 8.240 nan 0.000 0.435 1086 K N 0.416 120.695 120.400 -0.201 0.000 2.211 1086 K HA 0.031 4.353 4.320 0.004 0.000 0.203 1086 K C 2.473 178.867 176.600 -0.343 0.000 1.050 1086 K CA 0.860 57.013 56.287 -0.223 0.000 0.945 1086 K CB -0.005 32.371 32.500 -0.206 0.000 0.732 1086 K HN 0.214 nan 8.250 nan 0.000 0.451 1087 R N -0.429 119.779 120.500 -0.488 0.000 2.127 1087 R HA 0.051 4.393 4.340 0.004 0.000 0.217 1087 R C -0.046 175.637 176.300 -1.027 0.000 1.074 1087 R CA 0.713 56.307 56.100 -0.845 0.000 0.991 1087 R CB 0.289 29.892 30.300 -1.161 0.000 0.895 1087 R HN 0.013 nan 8.270 nan 0.000 0.450 1088 F N 0.563 120.409 119.950 -0.174 0.000 2.809 1088 F HA 0.311 4.841 4.527 0.004 0.000 0.369 1088 F C -1.792 173.942 175.800 -0.110 0.000 1.225 1088 F CA -2.533 55.395 58.000 -0.121 0.000 1.201 1088 F CB 1.745 40.706 39.000 -0.064 0.000 1.527 1088 F HN -0.187 nan 8.300 nan 0.000 0.565 1089 P HA -0.185 nan 4.420 nan 0.000 0.216 1089 P C 0.612 177.913 177.300 0.002 0.000 1.150 1089 P CA 1.580 64.663 63.100 -0.029 0.000 0.837 1089 P CB 0.324 31.986 31.700 -0.064 0.000 0.786 1090 N N -0.655 118.020 118.700 -0.040 0.000 2.571 1090 N HA -0.057 4.686 4.740 0.004 0.000 0.189 1090 N C 1.700 177.262 175.510 0.087 0.000 1.154 1090 N CA -0.258 52.753 53.050 -0.064 0.000 0.907 1090 N CB -0.293 37.884 38.487 -0.516 0.000 0.977 1090 N HN 0.022 nan 8.380 nan 0.000 0.449 1091 L N 1.411 122.695 121.223 0.102 0.000 1.970 1091 L HA -0.151 4.191 4.340 0.004 0.000 0.212 1091 L C 1.963 178.947 176.870 0.189 0.000 1.071 1091 L CA 1.548 56.467 54.840 0.132 0.000 0.751 1091 L CB -0.886 41.243 42.059 0.116 0.000 0.889 1091 L HN 0.187 nan 8.230 nan 0.000 0.432 1092 L N -0.656 120.681 121.223 0.190 0.000 1.955 1092 L HA -0.230 4.113 4.340 0.004 0.000 0.213 1092 L C 2.642 179.644 176.870 0.220 0.000 1.072 1092 L CA 2.452 57.443 54.840 0.252 0.000 0.755 1092 L CB -0.899 41.315 42.059 0.257 0.000 0.888 1092 L HN 0.474 nan 8.230 nan 0.000 0.432 1093 I N 0.529 121.185 120.570 0.142 0.000 2.208 1093 I HA -0.169 4.004 4.170 0.004 0.000 0.245 1093 I C 2.432 178.698 176.117 0.248 0.000 1.097 1093 I CA 1.691 63.063 61.300 0.120 0.000 1.363 1093 I CB -0.903 37.158 38.000 0.102 0.000 1.051 1093 I HN 0.303 nan 8.210 nan 0.000 0.413 1094 G N -0.106 108.895 108.800 0.334 0.000 2.491 1094 G HA2 -0.245 3.717 3.960 0.004 0.000 0.218 1094 G HA3 -0.245 3.717 3.960 0.004 0.000 0.218 1094 G C 1.693 176.728 174.900 0.224 0.000 1.180 1094 G CA 1.375 46.698 45.100 0.371 0.000 0.774 1094 G HN 0.372 nan 8.290 nan 0.000 0.562 1095 V N -0.054 120.023 119.914 0.271 0.000 2.392 1095 V HA -0.229 3.893 4.120 0.004 0.000 0.249 1095 V C 2.255 178.544 176.094 0.325 0.000 1.059 1095 V CA 1.950 64.424 62.300 0.289 0.000 1.051 1095 V CB -0.735 31.290 31.823 0.337 0.000 0.658 1095 V HN 0.510 nan 8.190 nan 0.000 0.455 1096 Y N 0.664 121.109 120.300 0.241 0.000 2.070 1096 Y HA -0.339 4.213 4.550 0.004 0.000 0.280 1096 Y C 2.595 178.523 175.900 0.046 0.000 1.148 1096 Y CA 2.397 60.580 58.100 0.138 0.000 1.125 1096 Y CB -0.257 38.115 38.460 -0.146 0.000 0.975 1096 Y HN 0.156 nan 8.280 nan 0.000 0.492 1097 M N -0.447 119.213 119.600 0.100 0.000 2.082 1097 M HA -0.283 4.200 4.480 0.004 0.000 0.258 1097 M C 1.989 178.205 176.300 -0.140 0.000 1.069 1097 M CA 1.554 56.829 55.300 -0.043 0.000 1.102 1097 M CB -0.638 31.949 32.600 -0.021 0.000 1.336 1097 M HN 0.307 nan 8.290 nan 0.000 0.404 1098 I N 0.173 120.652 120.570 -0.153 0.000 2.163 1098 I HA -0.208 3.965 4.170 0.004 0.000 0.243 1098 I C 2.529 178.484 176.117 -0.269 0.000 1.085 1098 I CA 1.456 62.570 61.300 -0.310 0.000 1.347 1098 I CB -1.246 36.404 38.000 -0.584 0.000 1.044 1098 I HN 0.146 nan 8.210 nan 0.000 0.408 1099 V N 0.839 120.674 119.914 -0.132 0.000 2.307 1099 V HA -0.260 3.862 4.120 0.004 0.000 0.245 1099 V C 2.574 178.611 176.094 -0.094 0.000 1.045 1099 V CA 1.749 64.034 62.300 -0.025 0.000 1.024 1099 V CB -0.760 31.154 31.823 0.152 0.000 0.651 1099 V HN 0.391 nan 8.190 nan 0.000 0.449 1100 K N -0.205 120.054 120.400 -0.235 0.000 2.211 1100 K HA -0.274 4.049 4.320 0.004 0.000 0.204 1100 K C 2.130 178.662 176.600 -0.113 0.000 1.047 1100 K CA 1.843 57.973 56.287 -0.261 0.000 0.935 1100 K CB 0.027 32.243 32.500 -0.473 0.000 0.728 1100 K HN 0.493 nan 8.250 nan 0.000 0.452 1101 E N 0.600 120.732 120.200 -0.113 0.000 2.033 1101 E HA -0.091 4.262 4.350 0.004 0.000 0.189 1101 E C 1.322 177.896 176.600 -0.043 0.000 0.979 1101 E CA 1.632 57.989 56.400 -0.072 0.000 0.802 1101 E CB 0.098 29.738 29.700 -0.099 0.000 0.763 1101 E HN 0.350 nan 8.360 nan 0.000 0.449 1102 N N -0.695 117.973 118.700 -0.054 0.000 2.420 1102 N HA 0.011 4.753 4.740 0.004 0.000 0.185 1102 N C 0.696 176.218 175.510 0.020 0.000 1.033 1102 N CA 0.386 53.425 53.050 -0.018 0.000 0.879 1102 N CB 0.183 38.651 38.487 -0.033 0.000 1.071 1102 N HN 0.101 nan 8.380 nan 0.000 0.437 1103 L N 2.404 123.647 121.223 0.033 0.000 2.779 1103 L HA 0.112 4.455 4.340 0.004 0.000 0.239 1103 L C 1.419 178.328 176.870 0.066 0.000 1.245 1103 L CA 0.141 55.016 54.840 0.059 0.000 1.064 1103 L CB -0.396 41.709 42.059 0.077 0.000 1.350 1103 L HN 0.119 nan 8.230 nan 0.000 0.455 1104 S N -1.252 114.488 115.700 0.066 0.000 2.641 1104 S HA -0.096 4.377 4.470 0.004 0.000 0.239 1104 S C 0.578 175.282 174.600 0.173 0.000 0.972 1104 S CA 0.805 59.075 58.200 0.116 0.000 0.954 1104 S CB -0.576 62.704 63.200 0.133 0.000 0.767 1104 S HN 0.636 nan 8.310 nan 0.000 0.539 1105 D N -1.271 119.204 120.400 0.124 0.000 2.672 1105 D HA 0.099 4.741 4.640 0.004 0.000 0.287 1105 D C -0.701 175.657 176.300 0.097 0.000 1.559 1105 D CA -0.570 53.503 54.000 0.122 0.000 0.796 1105 D CB -0.686 40.170 40.800 0.092 0.000 1.181 1105 D HN 0.291 nan 8.370 nan 0.000 0.458 1106 D N 1.366 121.822 120.400 0.093 0.000 2.383 1106 D HA -0.007 4.636 4.640 0.004 0.000 0.252 1106 D C 1.084 177.438 176.300 0.090 0.000 1.166 1106 D CA 0.110 54.156 54.000 0.076 0.000 0.879 1106 D CB 1.366 42.203 40.800 0.062 0.000 1.164 1106 D HN 0.077 nan 8.370 nan 0.000 0.462 1107 Q N 2.783 122.627 119.800 0.074 0.000 2.096 1107 Q HA -0.207 4.135 4.340 0.004 0.000 0.208 1107 Q C 1.864 177.921 176.000 0.095 0.000 0.993 1107 Q CA 1.314 57.162 55.803 0.076 0.000 0.862 1107 Q CB 0.146 28.917 28.738 0.055 0.000 0.915 1107 Q HN 0.674 nan 8.270 nan 0.000 0.416 1108 I N 0.313 120.938 120.570 0.092 0.000 2.233 1108 I HA -0.211 3.961 4.170 0.004 0.000 0.243 1108 I C 2.211 178.458 176.117 0.217 0.000 1.093 1108 I CA 1.304 62.679 61.300 0.125 0.000 1.380 1108 I CB -0.701 37.347 38.000 0.081 0.000 1.067 1108 I HN 0.261 nan 8.210 nan 0.000 0.413 1109 L N -0.247 121.083 121.223 0.177 0.000 2.313 1109 L HA -0.057 4.286 4.340 0.004 0.000 0.214 1109 L C 2.587 179.645 176.870 0.313 0.000 1.119 1109 L CA 0.447 55.435 54.840 0.247 0.000 0.809 1109 L CB -0.490 41.636 42.059 0.113 0.000 0.933 1109 L HN 0.161 nan 8.230 nan 0.000 0.449 1110 R N 0.214 120.843 120.500 0.216 0.000 2.127 1110 R HA -0.154 4.188 4.340 0.004 0.000 0.238 1110 R C 1.798 178.207 176.300 0.182 0.000 1.134 1110 R CA 0.941 57.159 56.100 0.196 0.000 0.975 1110 R CB -0.280 30.154 30.300 0.224 0.000 0.865 1110 R HN 0.371 nan 8.270 nan 0.000 0.447 1111 E N -0.229 120.081 120.200 0.184 0.000 2.396 1111 E HA -0.163 4.190 4.350 0.004 0.000 0.200 1111 E C 1.272 177.777 176.600 -0.157 0.000 1.023 1111 E CA 1.069 57.481 56.400 0.020 0.000 0.857 1111 E CB 0.002 29.677 29.700 -0.042 0.000 0.775 1111 E HN 0.339 nan 8.360 nan 0.000 0.525 1112 F N -0.982 118.951 119.950 -0.029 0.000 2.453 1112 F HA 0.027 4.556 4.527 0.004 0.000 0.284 1112 F C 1.921 177.699 175.800 -0.038 0.000 1.065 1112 F CA -0.037 57.884 58.000 -0.131 0.000 1.411 1112 F CB -0.241 38.767 39.000 0.014 0.000 1.131 1112 F HN -0.053 nan 8.300 nan 0.000 0.582 1113 L N -1.134 120.142 121.223 0.089 0.000 2.109 1113 L HA -0.120 4.223 4.340 0.004 0.000 0.207 1113 L C 0.415 177.024 176.870 -0.434 0.000 1.086 1113 L CA 1.767 56.441 54.840 -0.277 0.000 0.760 1113 L CB -0.962 40.608 42.059 -0.815 0.000 0.910 1113 L HN 0.211 nan 8.230 nan 0.000 0.437 1114 Y N -1.772 118.631 120.300 0.172 0.000 2.666 1114 Y HA 0.306 4.858 4.550 0.004 0.000 0.264 1114 Y C 1.188 177.127 175.900 0.066 0.000 1.054 1114 Y CA -0.810 57.362 58.100 0.121 0.000 1.121 1114 Y CB -0.218 38.299 38.460 0.096 0.000 1.190 1114 Y HN -0.054 nan 8.280 nan 0.000 0.587 1115 S N 0.000 115.757 115.700 0.096 0.000 2.498 1115 S HA 0.000 4.472 4.470 0.004 0.000 0.327 1115 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 1115 S CB 0.000 63.093 63.200 -0.178 0.000 0.593 1115 S HN 0.000 nan 8.310 nan 0.000 0.517