==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAY-13 4KZO . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.O.CONCHA,A.M.SMALLWOOD . 1236 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 955 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 93 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 471 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 3.2 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 6 4 5 3 3 0 0 6 3 3 0 0 6 4 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 6 0 0 1 2 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 . 1 0 0 4 5 3 3 0 2 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 . 2 0 2 0 0 0 0 0 3 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 3 A K 0 0 78 0, 0.0 31,-0.2 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 120.6 20.0 52.9 -45.1 2 4 A K + 0 0 170 30,-0.5 31,-0.2 1,-0.2 30,-0.1 0.595 360.0 75.8-129.1 -61.0 23.2 54.7 -46.0 3 5 A I E S-a 33 0A 40 29,-2.2 31,-4.5 1,-0.1 2,-0.8 -0.334 80.8-123.8 -55.8 139.1 26.1 53.9 -43.5 4 6 A S E -a 34 0A 71 29,-0.2 346,-0.2 1,-0.2 31,-0.2 -0.798 31.7-179.3 -90.5 110.0 27.6 50.4 -44.1 5 7 A G E - 0 0 0 29,-4.8 30,-0.2 -2,-0.8 2,-0.2 0.855 20.3-149.1 -80.6 -39.8 27.3 48.7 -40.8 6 8 A G E -a 35 0A 23 28,-0.6 30,-2.7 2,-0.1 2,-0.5 -0.587 47.6 -12.9 96.0-162.5 28.8 45.3 -41.4 7 9 A S E +a 36 0A 32 -2,-0.2 2,-0.4 28,-0.2 30,-0.2 -0.641 63.9 166.2 -86.8 121.1 28.0 41.9 -39.8 8 10 A V E -a 37 0A 0 28,-2.1 30,-2.7 -2,-0.5 2,-0.6 -0.998 30.1-139.1-133.7 136.1 25.8 42.0 -36.7 9 11 A V E -ab 38 68A 0 58,-2.0 60,-2.2 -2,-0.4 2,-0.5 -0.864 22.8-162.8 -93.3 122.7 24.0 39.2 -34.9 10 12 A E E -ab 39 69A 1 28,-2.3 30,-3.1 -2,-0.6 2,-0.6 -0.926 6.2-163.3-111.0 129.7 20.5 40.3 -33.8 11 13 A M E -ab 40 70A 0 58,-2.6 60,-2.7 -2,-0.5 30,-0.2 -0.947 12.2-147.3-116.5 111.6 18.6 38.4 -31.2 12 14 A Q E -a 41 0A 29 28,-2.2 30,-1.7 -2,-0.6 6,-0.1 -0.483 19.4-165.9 -77.9 145.1 14.8 39.2 -31.0 13 15 A G - 0 0 0 -2,-0.2 2,-0.3 28,-0.1 60,-0.3 -0.077 13.9 -84.9-112.5-151.4 13.1 39.0 -27.6 14 16 A D >> - 0 0 3 58,-2.1 4,-1.1 29,-0.1 3,-0.8 -0.806 66.3 -12.6-126.2 161.8 9.7 38.9 -26.0 15 17 A E H >> S- 0 0 11 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 -0.109 120.2 -4.0 58.9-135.3 6.8 41.0 -24.7 16 18 A M H 3> S+ 0 0 1 293,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.866 134.2 54.6 -65.8 -35.0 7.3 44.8 -24.2 17 19 A T H <> S+ 0 0 0 -3,-0.8 4,-2.6 292,-0.7 -1,-0.3 0.818 103.4 56.7 -68.7 -28.5 11.0 44.7 -25.2 18 20 A R H S+ 0 0 0 -4,-2.6 5,-2.0 2,-0.2 4,-2.0 0.943 112.8 44.4 -59.0 -48.1 14.4 50.8 -32.5 25 27 A K H <>S+ 0 0 12 -4,-2.1 5,-2.2 3,-0.2 -2,-0.2 0.948 118.8 42.0 -62.4 -47.0 15.2 49.1 -35.8 26 28 A E H <5S+ 0 0 128 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 127.8 25.6 -69.6 -47.5 12.5 50.9 -37.8 27 29 A K H <5S+ 0 0 37 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.645 133.6 24.1 -96.0 -13.0 12.9 54.5 -36.5 28 30 A L T <5S+ 0 0 0 -4,-2.0 4,-0.3 -5,-0.4 -3,-0.2 0.791 125.5 24.1-121.2 -55.4 16.6 54.6 -35.3 29 31 A I T >> S- 0 0 0 -30,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.330 71.2-110.8 -48.1 144.3 11.0 34.9 -28.8 44 46 A I H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.849 116.2 55.3 -55.5 -35.0 9.6 32.2 -26.5 45 47 A E H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 109.1 44.5 -66.6 -44.6 7.5 30.7 -29.3 46 48 A N H > S+ 0 0 50 -3,-0.3 4,-1.8 2,-0.2 8,-0.2 0.850 111.6 53.4 -72.6 -32.4 10.5 30.3 -31.7 47 49 A R H <>S+ 0 0 0 -4,-2.2 5,-3.4 2,-0.2 6,-0.3 0.922 110.8 47.6 -62.4 -42.5 12.7 28.8 -29.0 48 50 A D H ><5S+ 0 0 22 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.905 111.2 50.9 -63.5 -39.1 9.9 26.3 -28.2 49 51 A A H 3<5S+ 0 0 45 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 116.1 40.5 -68.9 -32.3 9.5 25.5 -32.0 50 52 A T T ><5S- 0 0 21 -4,-1.8 3,-1.7 -5,-0.1 -1,-0.2 0.253 112.5-113.2 -96.9 7.7 13.3 24.9 -32.4 51 53 A N T < 5S- 0 0 13 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.859 73.9 -61.4 59.1 36.5 13.8 23.0 -29.0 52 54 A D T 3> + 0 0 14 -3,-1.7 4,-2.6 -6,-0.3 5,-0.2 0.832 61.9 65.2 -74.6 -30.2 18.3 25.3 -30.8 54 56 A V H > S+ 0 0 10 -8,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.865 98.5 56.2 -57.2 -32.9 18.0 28.8 -32.1 55 57 A T H > S+ 0 0 0 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.933 108.4 44.5 -66.9 -45.1 19.6 30.0 -28.9 56 58 A K H X S+ 0 0 74 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.897 113.9 51.6 -64.5 -39.3 22.7 27.8 -29.4 57 59 A D H X S+ 0 0 33 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.931 107.9 51.6 -61.4 -46.5 22.8 28.9 -33.0 58 60 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.921 109.3 50.4 -57.7 -42.6 22.7 32.6 -32.1 59 61 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.905 110.9 48.4 -64.3 -40.6 25.6 32.1 -29.6 60 62 A E H X S+ 0 0 97 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.885 108.5 54.9 -65.7 -36.4 27.7 30.3 -32.3 61 63 A A H X S+ 0 0 7 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.903 104.8 53.5 -62.8 -39.1 26.9 33.1 -34.7 62 64 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.920 106.5 52.3 -61.3 -43.7 28.2 35.7 -32.2 63 65 A K H < S+ 0 0 95 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.9 44.8 -55.3 -40.6 31.5 33.8 -32.0 64 66 A K H < S+ 0 0 156 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.943 124.7 29.7 -71.1 -48.8 31.7 33.9 -35.8 65 67 A H H < S- 0 0 29 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.2 0.590 94.9-136.0 -95.5 -11.0 30.8 37.6 -36.3 66 68 A N S < S+ 0 0 23 -4,-3.0 235,-2.3 -5,-0.3 2,-0.3 0.351 74.9 68.7 77.7 -4.0 32.1 39.0 -33.0 67 69 A V E + c 0 301A 0 233,-0.2 -58,-2.0 -6,-0.2 2,-0.3 -0.980 50.9 167.9-144.7 138.4 29.2 41.3 -32.1 68 70 A G E -bc 9 302A 0 233,-1.2 235,-2.9 -2,-0.3 2,-0.4 -0.985 19.6-153.0-144.8 155.4 25.6 40.6 -31.1 69 71 A V E -bc 10 303A 0 -60,-2.2 -58,-2.6 -2,-0.3 2,-0.5 -0.999 19.5-160.4-130.6 123.3 22.7 42.7 -29.7 70 72 A K E -bc 11 304A 2 233,-2.3 235,-1.0 -2,-0.4 2,-0.2 -0.928 10.5-146.3-119.7 130.0 20.1 40.9 -27.7 71 73 A C - 0 0 0 -60,-2.7 238,-0.1 -2,-0.5 -53,-0.1 -0.566 44.7 -86.9 -80.6 151.9 16.5 41.9 -26.7 72 74 A A - 0 0 4 -2,-0.2 -58,-2.1 236,-0.2 2,-0.3 -0.315 50.9-158.0 -62.9 146.1 15.3 40.8 -23.3 73 75 A T - 0 0 13 -60,-0.3 2,-0.4 -30,-0.1 236,-0.2 -0.883 19.2-107.0-127.9 154.7 13.8 37.3 -23.3 74 76 A I - 0 0 4 -2,-0.3 -59,-0.0 -32,-0.2 234,-0.0 -0.683 21.2-156.8 -77.8 128.6 11.3 35.3 -21.2 75 77 A T - 0 0 22 -2,-0.4 2,-0.1 17,-0.1 17,-0.1 -0.947 29.9-133.5-100.3 109.8 12.9 32.6 -19.1 76 78 A P + 0 0 0 0, 0.0 2,-0.2 0, 0.0 16,-0.1 -0.375 29.0 177.4 -77.6 142.5 10.0 30.2 -18.5 77 79 A D > - 0 0 16 -2,-0.1 4,-2.1 12,-0.0 3,-0.3 -0.541 58.4 -71.8-113.5-173.1 8.8 28.6 -15.3 78 80 A E H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.891 133.7 53.5 -50.7 -42.7 5.7 26.4 -14.9 79 81 A K H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 108.6 48.7 -64.9 -38.3 3.3 29.3 -15.3 80 82 A R H > S+ 0 0 36 -3,-0.3 4,-2.6 2,-0.2 6,-0.3 0.847 105.8 58.1 -68.3 -33.6 5.0 30.3 -18.6 81 83 A V H X>S+ 0 0 38 -4,-2.1 5,-1.7 1,-0.2 4,-0.9 0.924 111.9 41.9 -58.1 -43.7 4.7 26.7 -19.8 82 84 A E H <5S+ 0 0 135 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.892 113.0 53.8 -69.3 -39.2 1.0 26.9 -19.2 83 85 A E H <5S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.944 124.0 23.8 -62.9 -49.1 0.7 30.4 -20.7 84 86 A F H <5S- 0 0 55 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.374 103.8-119.0 -98.7 2.9 2.4 29.6 -24.1 85 87 A K T <5 - 0 0 158 -4,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.929 49.1-174.3 56.2 48.8 1.7 25.8 -24.1 86 88 A L < - 0 0 16 -5,-1.7 -1,-0.1 -6,-0.3 3,-0.1 -0.301 33.1-134.4 -75.5 157.0 5.4 25.1 -24.1 87 89 A K S S- 0 0 79 1,-0.2 2,-0.3 -39,-0.0 -1,-0.1 0.779 84.9 -3.8 -78.5 -29.2 6.9 21.6 -24.4 88 90 A Q S S- 0 0 81 -7,-0.0 2,-1.2 -10,-0.0 -1,-0.2 -0.951 80.4 -92.8-153.3 166.9 9.4 22.1 -21.6 89 91 A M - 0 0 39 -2,-0.3 -11,-0.1 -3,-0.1 541,-0.1 -0.765 54.9-147.1 -88.7 101.1 10.6 24.8 -19.2 90 92 A W - 0 0 12 -2,-1.2 2,-0.1 1,-0.1 -38,-0.0 -0.208 12.6-107.0 -73.1 153.9 13.5 26.1 -21.3 91 93 A K - 0 0 142 1,-0.1 -1,-0.1 -16,-0.1 537,-0.1 -0.418 48.3 -79.2 -77.0 155.7 16.7 27.4 -19.8 92 94 A S > - 0 0 7 535,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.308 32.3-144.7 -52.7 124.0 17.5 31.1 -19.8 93 95 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.812 102.0 57.8 -62.5 -26.9 18.8 32.1 -23.2 94 96 A N H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 106.0 47.1 -67.6 -46.2 21.1 34.5 -21.4 95 97 A G H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.940 113.2 49.6 -57.3 -45.8 22.7 31.6 -19.4 96 98 A T H X S+ 0 0 28 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.935 115.6 41.9 -60.5 -47.4 23.1 29.6 -22.5 97 99 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 3,-0.4 0.951 115.0 49.2 -66.4 -48.9 24.7 32.4 -24.5 98 100 A R H X S+ 0 0 7 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.850 111.8 49.6 -62.6 -34.0 27.0 33.6 -21.6 99 101 A N H < S+ 0 0 21 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.765 112.3 47.4 -78.7 -23.9 28.2 30.0 -20.9 100 102 A I H < S+ 0 0 50 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.906 124.0 32.0 -75.4 -42.9 29.0 29.4 -24.6 101 103 A L H < S- 0 0 18 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.879 91.8-166.9 -81.7 -40.9 30.9 32.7 -25.0 102 104 A G < + 0 0 10 -4,-2.8 2,-0.2 -5,-0.3 -1,-0.1 -0.174 32.7 100.1 75.1-175.6 32.3 33.2 -21.5 103 105 A G S S- 0 0 4 192,-0.2 29,-2.5 83,-0.1 2,-0.4 -0.646 71.4 -46.3 101.7-159.0 33.8 36.4 -20.2 104 106 A T E -DE 131 294A 0 190,-2.2 190,-3.2 -2,-0.2 2,-0.6 -0.951 36.7-139.5-123.1 137.9 32.7 39.3 -18.0 105 107 A V E -DE 130 293A 0 25,-3.0 25,-2.5 -2,-0.4 2,-0.5 -0.882 19.0-159.8 -98.5 118.2 29.4 41.2 -18.1 106 108 A F E -DE 129 292A 20 186,-2.7 186,-2.1 -2,-0.6 2,-0.4 -0.890 11.0-177.3-103.7 122.9 30.0 45.0 -17.5 107 109 A R E +DE 128 291A 4 21,-2.9 21,-2.3 -2,-0.5 2,-0.3 -0.963 6.9 165.0-125.7 138.2 27.0 47.0 -16.3 108 110 A E E -DE 127 290A 38 182,-1.4 182,-2.9 -2,-0.4 19,-0.1 -0.992 36.2-104.8-152.0 143.2 26.8 50.7 -15.7 109 111 A A E - E 0 289A 8 17,-0.5 2,-0.6 -2,-0.3 180,-0.3 -0.278 25.0-129.5 -68.0 156.4 24.1 53.3 -15.2 110 112 A I - 0 0 13 178,-1.4 2,-0.4 175,-0.2 175,-0.1 -0.953 32.1-149.1-107.3 112.1 23.2 55.8 -17.9 111 113 A I - 0 0 84 -2,-0.6 2,-0.4 3,-0.0 178,-0.0 -0.683 19.9-176.4 -98.3 130.8 23.2 59.2 -16.3 112 114 A C > - 0 0 6 -2,-0.4 3,-1.6 3,-0.2 251,-0.0 -0.986 27.7-133.7-118.8 138.0 21.1 62.3 -17.1 113 115 A K T 3 S+ 0 0 183 -2,-0.4 -1,-0.1 1,-0.3 253,-0.0 0.776 101.4 51.9 -63.0 -30.7 21.7 65.5 -15.2 114 116 A N T 3 S+ 0 0 49 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.385 87.4 94.0 -90.1 4.0 18.0 66.2 -14.5 115 117 A I < - 0 0 21 -3,-1.6 -3,-0.2 168,-0.0 2,-0.1 -0.853 69.4-139.7-105.7 110.6 17.1 62.8 -13.0 116 118 A P - 0 0 64 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.411 18.6-129.8 -67.8 140.7 17.3 62.6 -9.2 117 119 A R - 0 0 86 2,-0.1 166,-0.2 1,-0.1 165,-0.1 -0.433 6.0-137.5 -80.2 159.8 18.8 59.4 -7.8 118 120 A L S S+ 0 0 31 164,-2.5 417,-2.4 163,-0.3 2,-0.7 0.762 96.7 64.6 -81.8 -29.8 17.2 57.3 -5.1 119 121 A V B > S-J 534 0B 0 163,-1.5 3,-1.1 415,-0.2 415,-0.2 -0.866 79.6-151.4 -98.0 115.9 20.6 56.8 -3.4 120 122 A S T 3 S+ 0 0 70 413,-2.5 -1,-0.1 -2,-0.7 -3,-0.1 0.760 83.0 49.7 -61.9 -30.6 21.7 60.2 -2.2 121 123 A G T 3 S+ 0 0 24 136,-0.3 2,-1.8 412,-0.2 -1,-0.2 0.565 71.5 105.6 -93.8 -7.2 25.5 59.7 -2.5 122 124 A W < + 0 0 7 -3,-1.1 139,-0.2 1,-0.2 138,-0.1 -0.484 26.5 146.6 -86.6 94.1 26.3 58.2 -5.9 123 125 A V + 0 0 100 -2,-1.8 -1,-0.2 137,-1.0 138,-0.2 0.545 66.7 49.6 -97.8 -6.7 27.8 61.2 -7.7 124 126 A K S S- 0 0 73 136,-1.9 139,-0.1 -3,-0.2 138,-0.1 -0.914 98.3 -93.0-127.5 154.4 30.2 58.9 -9.7 125 127 A P - 0 0 35 0, 0.0 137,-1.8 0, 0.0 138,-0.9 -0.332 24.6-145.9 -70.1 146.7 29.4 55.8 -11.7 126 128 A I E - f 0 263A 1 135,-0.2 2,-0.6 136,-0.2 -17,-0.5 -0.968 14.5-159.6-103.4 126.3 29.6 52.3 -10.2 127 129 A I E -Df 108 264A 3 136,-2.2 138,-3.2 -2,-0.5 2,-0.7 -0.953 2.4-161.8-111.8 115.5 30.7 49.7 -12.8 128 130 A I E -Df 107 265A 1 -21,-2.3 -21,-2.9 -2,-0.6 2,-0.5 -0.883 5.4-172.0 -96.8 113.0 29.8 46.1 -12.0 129 131 A G E -Df 106 266A 0 136,-1.4 138,-2.4 -2,-0.7 2,-0.4 -0.946 13.5-171.4 -89.8 135.0 31.8 43.5 -13.9 130 132 A H E -Df 105 267A 0 -25,-2.5 -25,-3.0 -2,-0.5 138,-0.2 -0.989 30.2-107.0-132.3 135.8 30.3 40.1 -13.2 131 133 A H E -D 104 0A 1 136,-2.0 -27,-0.2 -2,-0.4 141,-0.1 -0.362 27.5-160.7 -55.5 126.9 31.6 36.7 -14.2 132 134 A A + 0 0 0 -29,-2.5 2,-0.4 54,-0.1 -30,-0.2 0.565 60.1 80.0 -89.2 -9.6 29.3 35.4 -16.9 133 135 A Y S S- 0 0 22 -30,-0.4 136,-0.2 53,-0.1 50,-0.1 -0.799 86.1 -21.7-112.3 138.1 30.2 31.7 -16.7 134 136 A G S > S+ 0 0 0 -2,-0.4 3,-1.0 -39,-0.2 4,-0.2 -0.228 77.5 90.7 80.3-155.8 29.0 28.9 -14.4 135 137 A D G > S- 0 0 0 46,-2.6 3,-1.8 1,-0.2 46,-0.3 -0.254 104.6 -5.7 52.5-138.1 27.5 29.0 -10.9 136 138 A Q G > S+ 0 0 21 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.760 130.3 60.1 -63.4 -30.2 23.7 29.1 -10.7 137 139 A Y G < S+ 0 0 39 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.729 115.1 36.0 -70.7 -22.8 23.0 29.5 -14.4 138 140 A R G < S+ 0 0 119 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.222 94.6 131.8-102.3 7.9 24.8 26.1 -15.1 139 141 A A < - 0 0 19 -3,-1.1 2,-0.5 -4,-0.3 41,-0.2 -0.128 52.2-139.8 -67.2 158.6 23.5 24.5 -11.9 140 142 A T E +K 179 0C 31 39,-2.7 39,-2.3 440,-0.1 2,-0.3 -0.939 32.4 170.7-116.4 106.9 21.9 21.0 -11.6 141 143 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-5,-0.2 5,-0.2 0.940 112.3 47.3 -65.1 -47.3 15.4 51.0 23.7 774 361 B E H X S+ 0 0 78 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.932 111.8 51.5 -58.8 -44.8 13.6 54.3 24.2 775 362 B V H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.912 108.8 51.2 -57.1 -44.3 16.7 55.7 25.9 776 363 B S H X S+ 0 0 1 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.932 115.6 40.5 -62.3 -45.0 18.9 54.6 23.0 777 364 B I H X S+ 0 0 42 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.925 115.3 50.9 -69.6 -44.1 16.6 56.3 20.4 778 365 B E H X S+ 0 0 93 -4,-3.2 4,-0.8 -5,-0.2 -2,-0.2 0.845 107.0 55.0 -64.2 -35.0 16.0 59.4 22.5 779 366 B T H ><>S+ 0 0 3 -4,-2.3 5,-1.9 -5,-0.3 3,-0.7 0.950 112.5 41.6 -64.0 -47.9 19.7 59.9 23.1 780 367 B I H ><5S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 -2,-0.2 0.929 111.1 56.8 -62.7 -44.1 20.5 59.9 19.4 781 368 B E H 3<5S+ 0 0 71 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.661 102.8 57.1 -64.1 -13.5 17.4 62.1 18.8 782 369 B A T <<5S- 0 0 67 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.459 127.0 -98.4 -91.5 -3.9 18.9 64.6 21.2 783 370 B G T < 5S+ 0 0 44 -3,-2.3 2,-0.7 1,-0.3 -3,-0.2 0.502 87.1 122.1 99.5 4.7 22.1 64.9 19.1 784 371 B F < + 0 0 70 -5,-1.9 2,-0.3 20,-0.1 -1,-0.3 -0.906 40.8 133.4 -97.3 111.6 24.4 62.5 21.1 785 372 B M - 0 0 7 -2,-0.7 20,-2.5 18,-0.2 2,-0.1 -0.965 54.9 -96.2-153.9 163.9 25.5 59.9 18.6 786 373 B T > - 0 0 0 -2,-0.3 4,-2.0 18,-0.2 3,-0.4 -0.259 50.3 -93.7 -78.7 175.8 28.5 58.0 17.2 787 374 B K H > S+ 0 0 87 18,-0.3 4,-2.8 1,-0.2 5,-0.2 0.864 120.5 59.2 -66.1 -39.0 30.4 59.1 14.1 788 375 B D H > S+ 0 0 42 -49,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.915 109.3 44.6 -55.4 -43.8 28.4 57.0 11.6 789 376 B L H > S+ 0 0 2 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.896 110.7 53.3 -71.3 -39.1 25.2 58.7 12.6 790 377 B A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.908 107.5 53.0 -57.5 -40.4 26.8 62.1 12.5 791 378 B A H X S+ 0 0 21 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.869 102.1 59.1 -64.3 -35.0 27.9 61.3 9.0 792 379 B C H < S+ 0 0 30 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.873 114.0 37.3 -58.3 -39.0 24.3 60.4 8.0 793 380 B I H < S+ 0 0 78 -4,-1.4 -2,-0.2 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0 0 80 18,-0.3 4,-2.3 1,-0.2 5,-0.2 0.814 118.9 62.2 -71.1 -32.9 9.0 14.6 -45.4 1200 375 C D H > S+ 0 0 44 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.931 108.6 42.9 -57.1 -45.5 11.0 11.8 -47.1 1201 376 C L H > S+ 0 0 0 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.821 110.6 56.0 -73.5 -30.0 8.5 9.2 -45.9 1202 377 C A H X S+ 0 0 3 -4,-1.5 4,-2.8 1,-0.2 5,-0.4 0.861 103.5 55.0 -68.5 -35.0 5.5 11.4 -46.8 1203 378 C A H X S+ 0 0 19 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.827 102.1 58.1 -65.3 -32.4 6.8 11.7 -50.4 1204 379 C C H < S+ 0 0 28 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.912 114.3 37.6 -59.3 -42.1 6.8 7.9 -50.6 1205 380 C I H < S+ 0 0 86 -4,-1.3 -2,-0.2 1,-0.1 -3,-0.1 0.966 132.4 22.0 -76.0 -53.9 3.1 7.9 -49.8 1206 381 C K H < S- 0 0 43 -4,-2.8 -3,-0.2 1,-0.1 4,-0.2 0.588 109.4-108.4 -92.8 -11.0 1.8 10.9 -51.7 1207 382 C G >< - 0 0 31 -4,-1.8 3,-0.7 -5,-0.4 4,-0.4 0.183 36.7 -88.9 83.7 147.2 4.5 11.4 -54.3 1208 383 C L G > S+ 0 0 110 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.911 121.8 48.9 -63.7 -49.7 6.9 14.3 -54.0 1209 384 C P G 3 S+ 0 0 120 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.720 112.3 51.3 -65.3 -17.7 5.1 17.1 -55.9 1210 385 C N G < S+ 0 0 121 -3,-0.7 -2,-0.2 -4,-0.2 2,-0.2 0.406 82.8 111.9 -98.7 -0.4 1.8 16.4 -54.1 1211 386 C V < - 0 0 23 -3,-1.5 2,-0.3 -4,-0.4 -8,-0.1 -0.480 45.6-167.8 -75.9 143.5 3.1 16.5 -50.5 1212 387 C Q > - 0 0 121 -2,-0.2 3,-1.3 -10,-0.0 4,-0.5 -0.759 38.4-105.0-117.6 174.1 2.1 19.4 -48.2 1213 388 C R G > S+ 0 0 72 1,-0.3 3,-0.8 -2,-0.3 -1,-0.0 0.794 120.9 63.3 -69.9 -27.0 3.4 20.6 -44.8 1214 389 C S G 3 S+ 0 0 101 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.606 95.4 62.6 -67.9 -13.4 0.3 19.0 -43.3 1215 390 C D G < S+ 0 0 67 -3,-1.3 2,-0.3 1,-0.1 -18,-0.2 0.745 109.0 30.5 -81.6 -24.4 1.6 15.6 -44.5 1216 391 C Y < - 0 0 36 -3,-0.8 2,-0.3 -4,-0.5 -18,-0.2 -0.891 69.9-122.4-138.2 161.2 4.8 15.6 -42.5 1217 392 C L - 0 0 35 -20,-3.3 -18,-0.3 -2,-0.3 2,-0.1 -0.741 32.2-115.3 -96.6 146.5 6.4 16.7 -39.2 1218 393 C N > - 0 0 14 -2,-0.3 4,-3.2 -20,-0.1 -67,-0.3 -0.338 40.5 -94.5 -71.0 165.1 9.5 18.8 -39.0 1219 394 C T H > S+ 0 0 2 -69,-2.7 4,-2.3 1,-0.2 5,-0.2 0.912 126.3 43.4 -49.2 -50.5 12.7 17.3 -37.5 1220 395 C F H > S+ 0 0 15 -70,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.939 114.0 50.0 -64.4 -47.5 12.0 18.7 -34.0 1221 396 C E H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 110.4 50.7 -57.1 -43.4 8.3 17.8 -34.1 1222 397 C F H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.934 110.6 48.1 -62.6 -44.6 9.1 14.3 -35.2 1223 398 C M H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.878 108.2 57.4 -61.0 -36.7 11.6 13.9 -32.3 1224 399 C D H X S+ 0 0 32 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.944 106.5 46.6 -58.8 -50.0 8.9 15.3 -30.0 1225 400 C K H X S+ 0 0 65 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.864 110.8 54.7 -63.4 -32.5 6.4 12.6 -30.9 1226 401 C L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.943 108.2 47.0 -65.4 -48.5 9.1 9.9 -30.5 1227 402 C G H X S+ 0 0 10 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 113.1 50.5 -60.8 -39.6 10.0 11.0 -26.9 1228 403 C E H X S+ 0 0 101 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.974 114.4 41.7 -59.8 -55.2 6.3 11.1 -26.0 1229 404 C N H X S+ 0 0 33 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.848 113.9 53.7 -66.8 -32.0 5.6 7.6 -27.4 1230 405 C L H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.938 109.5 48.0 -62.9 -47.1 8.9 6.3 -25.9 1231 406 C K H X S+ 0 0 130 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.928 114.3 47.4 -57.7 -45.1 7.9 7.7 -22.5 1232 407 C I H X S+ 0 0 62 -4,-2.7 4,-5.3 2,-0.2 5,-0.3 0.966 111.1 50.1 -58.7 -52.9 4.4 6.0 -22.9 1233 408 C K H X S+ 0 0 32 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.903 112.1 45.6 -60.1 -46.8 5.8 2.7 -24.0 1234 409 C L H X S+ 0 0 35 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.907 121.6 40.2 -63.1 -40.8 8.3 2.4 -21.1 1235 410 C A H < S+ 0 0 65 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.975 113.8 52.2 -66.6 -54.7 5.6 3.4 -18.7 1236 411 C Q H < S+ 0 0 163 -4,-5.3 -2,-0.2 -5,-0.2 -3,-0.2 0.782 123.6 30.7 -55.3 -30.9 2.8 1.4 -20.4 1237 412 C A H < 0 0 53 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.918 360.0 360.0 -88.3 -70.0 5.0 -1.7 -20.2 1238 413 C K < 0 0 226 -4,-1.6 -3,-0.1 -5,-0.3 -2,-0.1 0.075 360.0 360.0 40.0 360.0 7.1 -1.3 -17.0