==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 28-NOV-05 2F66 . COMPND 2 MOLECULE: SUPPRESSOR PROTEIN STP22 OF TEMPERATURE- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.S.KOSTELANSKY,S.LEE,J.KIM,J.H.HURLEY . 480 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 319 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 1 1 0 0 0 2 0 0 0 1 1 0 0 0 0 1 3 1 1 3 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 321 A M 0 0 109 0, 0.0 5,-0.0 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 106.0 39.4 61.0 -8.8 2 322 A T > - 0 0 35 65,-0.2 4,-1.3 68,-0.1 70,-0.1 0.038 360.0-107.0 -57.6 175.0 41.7 58.0 -8.2 3 323 A D H > S+ 0 0 99 68,-1.2 4,-2.1 2,-0.2 69,-0.2 0.907 119.3 44.2 -73.7 -43.7 40.5 54.5 -9.1 4 324 A G H > S+ 0 0 2 67,-1.8 4,-2.3 66,-0.2 67,-0.2 0.899 113.4 50.6 -68.0 -40.8 40.1 53.4 -5.5 5 325 A L H > S+ 0 0 21 65,-1.2 4,-1.7 66,-0.2 -1,-0.2 0.857 109.8 51.4 -65.7 -34.4 38.4 56.7 -4.5 6 326 A N H X S+ 0 0 55 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.936 108.2 51.9 -66.6 -46.1 36.0 56.3 -7.4 7 327 A Q H X S+ 0 0 33 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.935 105.9 54.5 -53.0 -52.5 35.2 52.7 -6.3 8 328 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.901 106.1 52.6 -50.1 -46.8 34.4 53.9 -2.8 9 329 A Y H X S+ 0 0 9 -4,-1.7 4,-2.1 1,-0.2 -1,-0.3 0.881 111.4 45.8 -60.2 -39.5 31.9 56.4 -4.2 10 330 A N H X S+ 0 0 45 -4,-1.7 4,-3.1 -3,-0.4 -2,-0.2 0.887 109.8 53.2 -72.2 -39.2 30.1 53.8 -6.2 11 331 A L H X S+ 0 0 12 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.958 112.2 45.3 -59.8 -50.3 30.0 51.2 -3.4 12 332 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.936 112.4 52.0 -57.4 -45.7 28.4 53.8 -1.1 13 333 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 109.7 49.8 -56.2 -44.8 26.1 54.8 -3.9 14 334 A Q H X S+ 0 0 68 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.819 105.9 56.4 -63.5 -36.7 25.1 51.1 -4.3 15 335 A D H X S+ 0 0 11 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.974 112.6 39.9 -61.3 -55.4 24.4 50.7 -0.6 16 336 A Y H X S+ 0 0 28 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.885 115.0 52.6 -63.7 -38.9 21.9 53.5 -0.5 17 337 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.944 105.2 55.7 -61.4 -47.2 20.4 52.5 -3.8 18 338 A L H X S+ 0 0 5 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.852 108.6 47.8 -53.6 -37.2 19.9 49.0 -2.6 19 339 A T H X S+ 0 0 16 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.948 110.6 51.2 -69.5 -46.8 17.9 50.3 0.4 20 340 A D H X S+ 0 0 23 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.883 109.7 50.2 -55.6 -43.4 15.8 52.5 -1.9 21 341 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.879 109.9 50.0 -66.4 -36.8 15.0 49.6 -4.1 22 342 A I H X S+ 0 0 5 -4,-1.6 4,-1.7 -5,-0.3 3,-0.4 0.983 111.4 48.6 -64.2 -54.3 14.0 47.4 -1.2 23 343 A E H X S+ 0 0 73 -4,-2.8 4,-1.9 1,-0.3 3,-0.3 0.899 108.8 54.1 -48.1 -48.9 11.7 50.2 0.1 24 344 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 -1,-0.3 0.905 105.8 52.5 -53.8 -44.8 10.2 50.6 -3.4 25 345 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 -3,-0.4 -1,-0.3 0.842 104.8 57.5 -60.7 -33.4 9.4 46.9 -3.4 26 346 A S H X S+ 0 0 32 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.909 105.8 48.3 -63.0 -44.8 7.7 47.4 -0.1 27 347 A R H X S+ 0 0 75 -4,-1.9 4,-3.0 1,-0.2 6,-0.3 0.863 108.2 54.3 -64.6 -37.4 5.4 50.0 -1.6 28 348 A M H <>S+ 0 0 1 -4,-1.9 6,-1.7 2,-0.2 5,-1.3 0.846 109.2 48.9 -65.8 -31.1 4.6 47.6 -4.5 29 349 A L H ><5S+ 0 0 9 -4,-1.5 3,-1.0 4,-0.2 -2,-0.2 0.929 113.3 46.9 -70.4 -46.2 3.6 45.0 -1.9 30 350 A H H 3<5S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.899 110.5 51.1 -61.4 -44.8 1.4 47.6 -0.1 31 351 A R T 3<5S- 0 0 127 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.484 115.9-114.8 -74.0 -2.0 -0.2 48.8 -3.3 32 352 A G T < 5S+ 0 0 61 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.485 82.6 124.5 81.8 1.4 -1.0 45.2 -4.2 33 353 A T S - 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.302 32.3-103.3 -81.0 168.1 2.6 39.5 -3.5 36 356 A L H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.930 117.5 54.2 -56.6 -52.0 4.5 38.8 -0.2 37 357 A D H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.851 108.0 51.4 -56.2 -33.9 6.5 35.8 -1.5 38 358 A T H > S+ 0 0 33 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.947 109.7 49.1 -68.8 -46.2 7.8 37.9 -4.3 39 359 A F H X S+ 0 0 2 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.933 110.6 51.2 -56.9 -48.1 8.9 40.7 -2.0 40 360 A V H X S+ 0 0 23 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.931 112.4 44.6 -57.5 -47.9 10.7 38.2 0.3 41 361 A K H X S+ 0 0 150 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.971 121.0 38.1 -62.0 -55.2 12.7 36.6 -2.5 42 362 A Q H X S+ 0 0 42 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.921 117.6 50.4 -61.8 -47.1 13.7 39.8 -4.2 43 363 A G H X S+ 0 0 2 -4,-3.3 4,-2.7 -5,-0.3 5,-0.2 0.911 108.8 51.3 -58.4 -46.4 14.2 41.7 -1.0 44 364 A R H X S+ 0 0 29 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.945 111.2 49.2 -55.0 -50.2 16.4 39.0 0.5 45 365 A E H X S+ 0 0 70 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.941 112.8 45.0 -56.8 -52.5 18.5 39.0 -2.6 46 366 A L H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.873 114.5 50.5 -60.5 -38.7 19.0 42.8 -2.6 47 367 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.899 108.8 50.6 -66.8 -41.7 19.7 42.8 1.1 48 368 A R H X S+ 0 0 52 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.928 110.7 50.1 -61.4 -45.0 22.3 40.0 0.7 49 369 A Q H X S+ 0 0 65 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 107.1 56.4 -60.0 -38.6 23.9 42.1 -2.0 50 370 A Q H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.913 104.0 50.8 -61.3 -44.9 23.9 45.1 0.3 51 371 A F H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.925 110.0 50.9 -58.3 -44.9 25.8 43.3 3.1 52 372 A L H X S+ 0 0 33 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.905 110.6 48.7 -60.0 -42.4 28.4 42.3 0.6 53 373 A V H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.963 114.2 45.7 -63.0 -50.9 28.8 45.8 -0.7 54 374 A R H X S+ 0 0 6 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.883 110.9 50.7 -59.1 -45.9 29.1 47.3 2.8 55 375 A W H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.912 109.2 54.2 -59.2 -40.8 31.5 44.7 4.1 56 376 A H H X S+ 0 0 22 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.921 106.2 51.5 -58.1 -45.9 33.6 45.5 1.0 57 377 A I H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.899 107.5 53.2 -58.7 -41.1 33.5 49.2 1.9 58 378 A Q H < S+ 0 0 21 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.863 106.9 51.7 -62.1 -39.0 34.8 48.3 5.4 59 379 A R H >< S+ 0 0 25 -4,-1.9 3,-1.0 2,-0.2 -1,-0.2 0.907 111.8 46.3 -65.0 -44.9 37.7 46.4 4.0 60 380 A I H 3< S+ 0 0 7 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.959 116.8 42.8 -61.5 -53.9 38.7 49.3 1.8 61 381 A T T 3< S+ 0 0 28 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.117 93.3 107.2 -82.9 21.0 38.4 51.9 4.6 62 382 A S S < S- 0 0 16 -3,-1.0 2,-4.9 -5,-0.1 -3,-0.0 -0.582 95.7 -90.9 -95.3 162.3 40.1 49.7 7.2 63 383 A P - 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.196 67.6-103.1 -67.8 58.1 43.6 50.4 8.6 64 384 A L 0 0 116 -2,-4.9 -4,-0.1 -4,-0.3 -5,-0.1 0.707 360.0 360.0 14.8 73.5 44.6 48.0 5.7 65 385 A S 0 0 88 -6,-0.2 -1,-0.2 318,-0.1 319,-0.2 0.978 360.0 360.0 78.5 360.0 45.1 45.1 8.1 66 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 15 B S 0 0 97 0, 0.0 -65,-0.2 0, 0.0 -62,-0.2 0.000 360.0 360.0 360.0 -82.0 43.3 61.2 -1.8 68 16 B Q > + 0 0 166 1,-0.1 3,-0.7 -64,-0.1 4,-0.2 0.607 360.0 75.3-105.3 -22.8 46.3 58.9 -2.1 69 17 B L T 3 S+ 0 0 120 1,-0.3 2,-0.3 2,-0.1 3,-0.1 0.737 104.1 40.7 -60.9 -22.9 45.2 56.7 0.7 70 18 B F T 3 S+ 0 0 20 1,-0.1 -65,-1.2 -9,-0.0 -1,-0.3 -0.645 77.0 135.3-125.4 70.8 42.6 55.3 -1.7 71 19 B H < + 0 0 111 -3,-0.7 -67,-1.8 -2,-0.3 -68,-1.2 0.937 61.6 35.8 -85.8 -52.7 44.7 55.0 -4.9 72 20 B D S S- 0 0 114 -69,-0.2 2,-0.3 -4,-0.2 -1,-0.1 -0.737 87.6-102.3-105.6 154.2 43.8 51.6 -6.4 73 21 B E - 0 0 124 -2,-0.3 -69,-0.1 -3,-0.1 -68,-0.1 -0.544 37.2-139.2 -76.0 135.6 40.6 49.7 -6.4 74 22 B V - 0 0 36 -2,-0.3 2,-0.1 -70,-0.2 -14,-0.1 -0.680 11.2-120.8 -96.3 146.5 40.3 46.9 -3.9 75 23 B P - 0 0 74 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.405 22.1-117.8 -81.6 161.7 38.8 43.4 -4.4 76 24 B L S S+ 0 0 47 1,-0.3 2,-0.5 -2,-0.1 -17,-0.1 0.917 112.2 30.3 -61.8 -42.4 35.9 42.1 -2.3 77 25 B F S S- 0 0 55 4,-0.0 -1,-0.3 2,-0.0 -21,-0.0 -0.919 82.8-169.7-122.3 105.8 38.3 39.4 -1.1 78 26 B D > - 0 0 42 -2,-0.5 3,-1.5 -3,-0.3 -4,-0.0 -0.065 44.9 -81.7 -81.4-171.1 42.0 40.4 -0.9 79 27 B N T 3 S+ 0 0 176 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.568 123.2 65.4 -71.9 -8.2 45.0 38.1 -0.4 80 28 B S T 3 S+ 0 0 61 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.304 84.4 95.9 -94.9 10.1 44.5 38.0 3.4 81 29 B I < - 0 0 28 -3,-1.5 2,-0.1 4,-0.0 -4,-0.0 -0.876 60.6-156.6-106.8 123.0 41.2 36.2 2.9 82 30 B T > - 0 0 73 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.432 34.2-104.7 -88.9 171.7 41.1 32.4 3.1 83 31 B S H > S+ 0 0 98 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.675 121.5 55.2 -68.4 -20.2 38.4 30.2 1.6 84 32 B K H > S+ 0 0 137 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.880 103.5 53.0 -79.9 -40.5 36.9 29.7 5.0 85 33 B D H > S+ 0 0 26 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.904 105.8 55.2 -58.2 -43.7 36.5 33.4 5.6 86 34 B K H X S+ 0 0 96 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.929 108.3 47.9 -56.4 -46.5 34.7 33.7 2.3 87 35 B E H X S+ 0 0 85 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.926 112.2 49.8 -60.2 -45.7 32.2 31.1 3.5 88 36 B V H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 111.3 48.4 -59.1 -46.3 31.8 32.9 6.8 89 37 B I H X S+ 0 0 2 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.886 111.2 50.5 -62.8 -39.7 31.2 36.2 5.1 90 38 B E H X S+ 0 0 85 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.887 109.9 49.3 -67.1 -38.6 28.6 34.7 2.7 91 39 B T H X S+ 0 0 22 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 110.8 51.7 -67.6 -35.8 26.8 33.1 5.6 92 40 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.861 106.3 53.1 -67.3 -34.3 26.8 36.5 7.3 93 41 B S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.871 110.2 49.3 -67.0 -34.6 25.4 38.2 4.2 94 42 B E H X S+ 0 0 46 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.862 110.7 48.2 -72.0 -37.6 22.6 35.6 4.3 95 43 B I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.921 110.4 53.7 -68.4 -41.2 21.9 36.2 8.0 96 44 B Y H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.941 105.9 52.2 -56.9 -50.2 21.9 40.0 7.2 97 45 B S H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.893 109.3 50.0 -56.4 -40.9 19.3 39.5 4.5 98 46 B I H X S+ 0 0 0 -4,-1.7 4,-3.6 2,-0.2 5,-0.2 0.941 109.2 49.4 -65.6 -45.8 17.0 37.6 6.8 99 47 B V H X S+ 0 0 15 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.914 115.1 45.7 -59.1 -41.4 17.2 40.2 9.6 100 48 B I H X S+ 0 0 27 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.933 115.4 45.3 -67.8 -45.4 16.4 43.0 7.0 101 49 B T H X S+ 0 0 2 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.946 108.3 57.9 -63.2 -46.7 13.6 41.0 5.4 102 50 B L H X S+ 0 0 14 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.871 107.6 48.2 -49.2 -43.2 12.2 40.1 8.8 103 51 B D H X S+ 0 0 11 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.924 111.8 47.7 -67.1 -45.2 11.9 43.8 9.7 104 52 B H H X S+ 0 0 38 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.859 108.6 54.5 -65.7 -35.8 10.2 44.7 6.4 105 53 B V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.925 110.1 48.1 -62.8 -42.6 7.7 41.8 6.6 106 54 B E H X S+ 0 0 37 -4,-1.8 4,-3.2 -5,-0.3 -2,-0.2 0.940 110.7 48.1 -64.7 -47.5 6.8 43.1 10.1 107 55 B K H X S+ 0 0 54 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.901 111.5 55.1 -58.1 -37.7 6.3 46.8 9.0 108 56 B A H <>S+ 0 0 8 -4,-2.2 5,-2.0 -5,-0.2 3,-0.5 0.953 111.0 41.7 -57.2 -54.5 4.3 45.3 6.1 109 57 B Y H ><5S+ 0 0 66 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.931 108.6 60.8 -60.4 -47.3 2.0 43.4 8.5 110 58 B L H 3<5S+ 0 0 115 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.4 40.4 -52.9 -33.2 1.8 46.4 10.9 111 59 B K T 3<5S- 0 0 142 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 -0.023 120.1-105.9-110.1 34.3 0.3 48.6 8.1 112 60 B D T < 5S+ 0 0 133 -3,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.820 78.8 128.9 47.6 54.1 -2.0 45.9 6.7 113 61 B S S - 0 0 70 -2,-0.3 4,-3.2 -3,-0.1 5,-0.3 -0.563 34.7 -90.0-105.9 169.7 -2.5 39.3 7.0 116 64 B D H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.825 125.6 44.5 -36.5 -52.3 -2.0 37.5 10.2 117 65 B T H > S+ 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1,-0.2 -1,-0.2 0.859 109.0 52.8 -58.0 -34.7 13.5 32.2 11.5 128 76 B K H X S+ 0 0 116 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.969 110.7 45.1 -66.5 -49.5 14.1 28.6 10.7 129 77 B Q H X S+ 0 0 69 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.842 111.5 56.6 -59.9 -33.1 16.5 29.4 7.9 130 78 B F H >X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 3,-0.6 0.948 105.6 48.1 -63.0 -50.4 18.1 31.8 10.3 131 79 B K H 3X S+ 0 0 91 -4,-2.4 4,-0.6 1,-0.3 -1,-0.2 0.875 108.7 56.3 -58.1 -38.1 18.7 29.1 13.0 132 80 B V H 3< S+ 0 0 86 -4,-2.1 3,-0.4 1,-0.2 -1,-0.3 0.825 103.1 53.1 -65.6 -31.5 20.2 26.9 10.3 133 81 B Y H X< S+ 0 0 53 -4,-1.4 3,-0.6 -3,-0.6 -1,-0.2 0.845 111.3 47.4 -72.0 -30.9 22.7 29.6 9.4 134 82 B L H 3< S+ 0 0 11 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.492 116.4 43.7 -87.1 -4.8 23.8 29.8 13.0 135 83 B N T 3< S+ 0 0 88 -4,-0.6 -1,-0.2 -3,-0.4 2,-0.1 -0.204 104.7 62.1-134.1 45.2 24.1 26.0 13.4 136 84 B S S X S+ 0 0 42 -3,-0.6 3,-1.5 1,-0.3 -3,-0.1 -0.395 91.8 2.6-138.2-144.0 25.8 24.8 10.3 137 85 B Q T 3 S+ 0 0 128 1,-0.3 -1,-0.3 -2,-0.1 5,-0.1 -0.186 131.0 4.4 -53.2 135.2 29.1 25.1 8.5 138 86 B N T 3> S+ 0 0 35 1,-0.1 4,-2.6 -3,-0.1 -1,-0.3 0.799 79.9 157.9 57.9 33.5 31.6 27.3 10.3 139 87 B K H <> + 0 0 59 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.852 66.0 59.3 -55.8 -37.3 29.2 27.7 13.2 140 88 B E H > S+ 0 0 112 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.971 111.9 35.7 -55.4 -60.5 32.1 28.5 15.6 141 89 B E H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.928 115.3 57.1 -61.8 -47.4 33.3 31.6 13.7 142 90 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.900 106.3 47.2 -53.3 -49.4 29.8 32.7 12.7 143 91 B N H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.788 106.7 58.4 -66.5 -27.3 28.4 32.9 16.2 144 92 B K H X S+ 0 0 52 -4,-1.2 4,-1.5 -3,-0.5 -1,-0.2 0.917 110.8 43.1 -66.0 -41.9 31.5 34.8 17.4 145 93 B H H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 113.8 51.0 -68.6 -43.8 30.7 37.5 14.8 146 94 B F H X S+ 0 0 12 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.926 105.9 54.8 -62.4 -45.4 26.9 37.4 15.5 147 95 B Q H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 113.0 41.1 -54.9 -48.4 27.4 37.9 19.2 148 96 B S H X S+ 0 0 1 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.875 113.6 55.0 -69.6 -34.5 29.5 41.0 18.8 149 97 B I H >X S+ 0 0 8 -4,-2.3 4,-1.1 1,-0.2 3,-0.5 0.956 111.6 43.6 -60.2 -49.3 27.1 42.2 16.1 150 98 B E H 3< S+ 0 0 12 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.853 108.4 57.1 -64.5 -38.0 24.1 41.8 18.4 151 99 B A H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.780 111.5 45.2 -64.9 -24.7 25.9 43.4 21.3 152 100 B F H << S+ 0 0 31 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.661 88.3 117.8 -91.0 -21.0 26.5 46.4 19.1 153 101 B A S < S- 0 0 22 -4,-1.1 2,-1.7 -3,-0.2 244,-0.1 0.023 81.2-105.9 -44.5 155.4 22.9 46.5 17.8 154 102 B D - 0 0 41 1,-0.1 2,-3.2 2,-0.1 -1,-0.2 -0.577 39.3-171.8 -86.9 72.7 20.8 49.6 18.5 155 103 B T + 0 0 17 -2,-1.7 2,-0.3 -5,-0.2 -1,-0.1 -0.324 41.9 119.3 -67.7 65.4 18.7 47.9 21.2 156 104 B Y + 0 0 52 -2,-3.2 20,-0.3 1,-0.1 3,-0.1 -0.945 57.9 30.5-132.8 153.1 16.4 50.9 21.5 157 105 B N S S+ 0 0 111 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.367 100.4 100.5 79.4 -5.3 12.6 51.3 20.9 158 106 B I S S- 0 0 14 4,-0.0 -1,-0.2 3,-0.0 2,-0.1 -0.963 76.0-131.1-111.5 121.8 12.5 47.7 22.0 159 107 B T > - 0 0 64 -2,-0.5 4,-3.8 1,-0.1 5,-0.2 -0.417 14.9-121.8 -76.3 149.7 11.4 47.3 25.6 160 108 B A H > S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.822 118.1 59.5 -55.5 -29.8 13.3 45.2 28.1 161 109 B S H > S+ 0 0 23 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.967 112.1 35.4 -63.4 -53.1 9.9 43.5 28.4 162 110 B N H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 110.0 66.8 -69.1 -35.1 10.0 42.6 24.7 163 111 B A H X S+ 0 0 10 -4,-3.8 4,-2.6 1,-0.2 -1,-0.2 0.905 101.4 46.8 -52.4 -47.8 13.7 42.1 24.8 164 112 B I H X S+ 0 0 3 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.925 109.0 53.9 -63.3 -45.2 13.4 39.0 27.1 165 113 B T H X S+ 0 0 28 -4,-1.3 4,-1.5 1,-0.2 3,-0.3 0.954 113.5 43.2 -51.2 -54.6 10.6 37.5 25.0 166 114 B R H <>S+ 0 0 38 -4,-2.5 5,-1.6 1,-0.2 4,-0.3 0.896 110.6 55.9 -57.5 -46.9 12.8 37.7 21.9 167 115 B L H ><5S+ 0 0 31 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.814 109.4 45.2 -58.6 -35.4 15.9 36.5 23.7 168 116 B E H 3<5S+ 0 0 67 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.793 111.2 55.1 -78.8 -28.6 14.2 33.3 24.9 169 117 B R T 3<5S- 0 0 174 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.375 109.2-120.5 -84.8 2.5 12.8 32.8 21.4 170 118 B G T < 5 + 0 0 33 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.551 60.7 155.0 69.2 4.6 16.2 32.9 19.6 171 119 B I < - 0 0 38 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.499 38.8-130.3 -69.8 125.6 14.8 35.9 17.7 172 120 B P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.108 29.0 -91.0 -69.0 169.7 17.5 38.3 16.4 173 121 B I - 0 0 34 -6,-0.0 2,-0.5 2,-0.0 -19,-0.0 -0.726 39.1-170.5 -86.2 128.8 17.4 42.0 16.9 174 122 B T - 0 0 8 -2,-0.5 2,-0.2 -72,-0.1 -74,-0.0 -0.919 23.7-129.8-123.7 103.5 15.7 43.9 14.0 175 123 B A - 0 0 33 -2,-0.5 -18,-0.1 1,-0.2 -20,-0.1 -0.330 22.3-173.7 -54.5 115.0 16.1 47.6 14.1 176 124 B E 0 0 55 -20,-0.3 -1,-0.2 -2,-0.2 -19,-0.0 0.188 360.0 360.0 -98.8 15.3 12.6 49.0 13.7 177 125 B H 0 0 133 -21,-0.1 -1,-0.1 223,-0.0 -2,-0.1 -0.386 360.0 360.0 74.2 360.0 13.8 52.6 13.5 178 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 179 142 C S >> 0 0 123 0, 0.0 2,-1.9 0, 0.0 3,-1.4 0.000 360.0 360.0 360.0 -86.4 39.2 81.1 -13.9 180 143 C K T 34 + 0 0 190 1,-0.3 0, 0.0 2,-0.2 0, 0.0 -0.022 360.0 51.8 -70.0 37.1 39.6 77.4 -13.0 181 144 C K T 3> S+ 0 0 121 -2,-1.9 4,-0.7 3,-0.0 -1,-0.3 0.460 93.4 62.3-144.0 -29.5 37.1 78.3 -10.3 182 145 C Y H <> S+ 0 0 178 -3,-1.4 4,-1.1 1,-0.2 3,-0.4 0.845 98.2 62.5 -72.8 -34.5 34.2 80.0 -12.1 183 146 C G H >X S+ 0 0 32 -4,-1.2 4,-3.0 1,-0.2 3,-0.8 0.945 91.3 64.3 -54.4 -53.2 33.5 76.8 -13.9 184 147 C D H 3> S+ 0 0 55 1,-0.3 4,-3.9 2,-0.2 5,-0.3 0.843 97.4 57.4 -36.6 -51.6 32.8 74.9 -10.7 185 148 C I H 3X S+ 0 0 84 -4,-0.7 4,-2.0 -3,-0.4 -1,-0.3 0.919 113.8 36.6 -49.0 -54.0 29.8 77.0 -10.1 186 149 C A H S- 0 0 49 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.980 77.4-108.5-167.4 157.7 6.3 38.2 -15.2 215 178 C A H > S+ 0 0 73 -2,-0.3 4,-3.8 1,-0.2 5,-0.3 0.923 120.5 56.7 -56.5 -43.0 9.7 37.7 -13.6 216 179 C D H > S+ 0 0 99 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.953 104.5 51.0 -52.3 -54.7 11.1 39.7 -16.5 217 180 C D H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 116.6 39.6 -50.3 -47.8 8.9 42.6 -15.8 218 181 C L H X S+ 0 0 6 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.912 114.8 53.4 -69.3 -44.4 9.9 42.7 -12.1 219 182 C D H X S+ 0 0 78 -4,-3.8 4,-2.6 -5,-0.2 -2,-0.2 0.922 109.6 49.1 -56.1 -46.7 13.5 41.9 -13.0 220 183 C Q H X S+ 0 0 103 -4,-3.8 4,-2.7 -5,-0.3 5,-0.3 0.935 111.8 48.8 -59.8 -46.6 13.5 44.9 -15.4 221 184 C F H X S+ 0 0 4 -4,-2.0 4,-3.5 -5,-0.3 5,-0.4 0.956 111.9 47.5 -58.4 -53.4 12.1 47.2 -12.8 222 185 C I H X S+ 0 0 8 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.937 114.0 47.3 -55.0 -49.4 14.5 46.2 -10.1 223 186 C K H X S+ 0 0 129 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.906 117.6 41.2 -60.7 -43.5 17.5 46.6 -12.4 224 187 C N H X S+ 0 0 69 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.909 116.5 47.7 -73.0 -41.4 16.4 49.9 -13.8 225 188 C Y H X S+ 0 0 9 -4,-3.5 4,-2.6 -5,-0.3 -2,-0.2 0.930 113.0 49.3 -63.2 -45.6 15.2 51.4 -10.5 226 189 C L H X S+ 0 0 27 -4,-2.7 4,-1.8 -5,-0.4 -1,-0.2 0.862 113.1 48.9 -61.0 -37.5 18.4 50.2 -8.8 227 190 C D H >X S+ 0 0 98 -4,-1.5 4,-2.5 -5,-0.3 3,-0.6 0.991 111.9 44.5 -66.2 -62.6 20.4 51.8 -11.5 228 191 C I H 3X S+ 0 0 16 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.899 115.4 52.0 -47.3 -45.0 18.7 55.2 -11.6 229 192 C R H 3X S+ 0 0 22 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.3 0.849 109.5 47.3 -63.3 -38.6 18.9 55.1 -7.8 230 193 C T H < S+ 0 0 23 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.921 109.5 46.2 -76.3 -47.7 28.1 67.0 -5.5 240 203 C A T 3< S+ 0 0 71 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.543 118.7 46.6 -74.4 -2.3 28.0 67.6 -1.7 241 204 C T T 3 S+ 0 0 36 -4,-0.4 -1,-0.3 1,-0.1 -2,-0.2 0.302 73.8 123.9-117.6 4.4 31.7 66.6 -1.7 242 205 C W < 0 0 70 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.691 360.0 360.0 -37.6 -34.2 32.7 68.8 -4.7 243 206 C D 0 0 168 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.854 360.0 360.0-109.2 360.0 35.4 70.6 -2.7 244 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 245 321 D M 0 0 130 0, 0.0 5,-0.0 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 175.7 12.3 30.6 38.3 246 322 D T > - 0 0 29 1,-0.1 4,-2.3 65,-0.1 5,-0.2 -0.157 360.0-113.5 -55.5 150.4 15.5 28.7 37.2 247 323 D D H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 69,-0.2 0.907 114.9 50.4 -51.7 -49.6 18.8 30.3 38.1 248 324 D G H > S+ 0 0 4 67,-3.8 4,-3.2 2,-0.2 67,-0.2 0.965 108.6 49.3 -55.8 -58.2 19.7 30.9 34.5 249 325 D L H > S+ 0 0 16 65,-1.8 4,-3.3 1,-0.3 -1,-0.2 0.893 110.7 53.5 -48.8 -41.4 16.4 32.7 33.6 250 326 D N H X S+ 0 0 68 -4,-2.3 4,-2.2 2,-0.2 -1,-0.3 0.946 110.2 45.8 -58.6 -49.6 17.0 34.8 36.7 251 327 D Q H X S+ 0 0 20 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.954 113.2 50.2 -57.5 -52.0 20.5 35.7 35.5 252 328 D L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.932 109.3 51.7 -51.5 -52.6 19.1 36.4 32.0 253 329 D Y H X S+ 0 0 9 -4,-3.3 4,-1.8 -5,-0.2 -1,-0.2 0.877 113.2 44.6 -52.8 -44.6 16.3 38.6 33.4 254 330 D N H X S+ 0 0 37 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.959 109.2 53.7 -67.3 -53.1 18.8 40.7 35.5 255 331 D L H X S+ 0 0 11 -4,-2.9 4,-2.7 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