==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-APR-13 4K2R . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ZAP-70; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.YAN,T.BARROS,P.R.VISPERAS,S.DEINDL,T.A.KADLECEK,A.WEISS,J. . 551 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 45 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 1 0 2 1 3 1 0 0 0 0 2 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 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 . 2 2 1 1 3 2 2 0 1 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 2 1 1 1 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 2 A P 0 0 17 0, 0.0 148,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 119.4 -2.1 0.4 6.4 2 3 A D > - 0 0 20 1,-0.1 3,-1.2 2,-0.0 4,-0.2 -0.601 360.0-140.5 -77.7 136.6 -1.1 1.1 10.1 3 4 A P T 3 S+ 0 0 20 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.797 101.5 49.4 -68.6 -25.0 2.5 2.2 10.4 4 5 A A T 3 S+ 0 0 0 1,-0.2 8,-0.2 2,-0.1 6,-0.1 0.034 78.6 102.8-101.8 24.0 3.0 0.1 13.5 5 6 A A S < S+ 0 0 49 -3,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.651 79.9 51.1 -82.6 -16.6 1.5 -3.1 12.1 6 7 A H S S+ 0 0 71 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.833 82.4 99.5 -87.8 -36.1 4.9 -4.7 11.6 7 8 A L > - 0 0 15 -4,-0.2 3,-1.8 1,-0.2 28,-0.1 -0.332 69.7-145.2 -54.2 117.2 6.2 -4.1 15.1 8 9 A P T 3 S+ 0 0 64 0, 0.0 95,-4.0 0, 0.0 -1,-0.2 0.470 96.5 59.6 -67.5 -0.7 5.7 -7.4 16.9 9 10 A F T 3 S+ 0 0 25 93,-0.3 26,-2.3 -5,-0.1 2,-0.5 0.268 82.6 102.6-108.3 9.3 5.0 -5.6 20.2 10 11 A F B < -a 35 0A 2 -3,-1.8 26,-0.2 24,-0.2 93,-0.1 -0.839 45.1-178.6-100.6 124.5 2.0 -3.7 18.7 11 12 A Y - 0 0 5 24,-2.4 99,-1.7 -2,-0.5 25,-0.2 0.375 25.2-141.8-106.9 3.7 -1.5 -5.0 19.7 12 13 A G B +g 110 0B 1 97,-0.3 25,-2.1 23,-0.2 2,-1.4 -0.302 66.7 0.7 67.1-155.4 -4.0 -2.8 17.8 13 14 A S S S+ 0 0 19 97,-2.8 2,-0.3 23,-0.2 -1,-0.1 -0.516 86.7 136.5 -77.4 88.6 -7.3 -1.7 19.4 14 15 A I - 0 0 9 -2,-1.4 25,-0.2 23,-0.3 -2,-0.0 -0.832 49.2-111.2-125.5 164.8 -7.2 -3.2 22.8 15 16 A S > - 0 0 42 -2,-0.3 4,-1.5 1,-0.1 -1,-0.1 -0.095 32.6-102.2 -85.3-172.4 -8.2 -1.8 26.3 16 17 A R H > S+ 0 0 146 2,-0.2 4,-3.5 3,-0.2 5,-0.3 0.939 119.2 52.6 -79.2 -48.5 -5.9 -1.0 29.2 17 18 A A H > S+ 0 0 66 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.923 110.7 49.0 -51.1 -49.5 -6.8 -4.2 31.2 18 19 A E H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.957 113.8 46.2 -54.5 -53.5 -6.0 -6.3 28.2 19 20 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.977 114.7 46.0 -52.7 -62.3 -2.7 -4.5 27.7 20 21 A E H X S+ 0 0 40 -4,-3.5 4,-1.2 1,-0.2 -1,-0.2 0.826 110.3 57.4 -51.2 -35.6 -1.9 -4.7 31.4 21 22 A E H >X S+ 0 0 36 -4,-3.1 3,-2.5 -5,-0.3 4,-1.4 0.997 105.6 46.0 -58.1 -68.4 -2.9 -8.4 31.3 22 23 A H H 3X S+ 0 0 46 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.797 110.2 57.6 -42.9 -36.1 -0.4 -9.4 28.5 23 24 A L H 3<>S+ 0 0 0 -4,-2.0 5,-1.1 -5,-0.3 -1,-0.3 0.795 102.9 53.1 -70.3 -29.6 2.2 -7.4 30.5 24 25 A K H X<5S+ 0 0 115 -3,-2.5 3,-3.3 -4,-1.2 -2,-0.2 0.997 106.0 51.4 -63.9 -65.3 1.7 -9.5 33.6 25 26 A L H 3<5S+ 0 0 154 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.744 104.0 60.4 -44.1 -33.0 2.1 -12.8 31.9 26 27 A A T 3<5S- 0 0 54 -4,-1.2 -1,-0.3 -5,-0.3 3,-0.2 0.472 124.1 -90.6 -83.0 -1.4 5.4 -11.6 30.4 27 28 A G T < 5 - 0 0 53 -3,-3.3 -3,-0.1 -4,-0.2 -2,-0.1 0.095 34.1-115.3 123.5 -28.5 7.2 -11.0 33.7 28 29 A M < + 0 0 30 -5,-1.1 25,-0.5 1,-0.2 -1,-0.1 0.495 56.7 166.3 75.5 0.1 6.6 -7.4 34.8 29 30 A A > - 0 0 61 -3,-0.2 3,-1.9 1,-0.1 2,-0.4 -0.142 48.5 -96.2 -50.3 140.8 10.3 -6.8 34.4 30 31 A D T 3 S+ 0 0 51 1,-0.3 21,-0.2 -3,-0.1 -1,-0.1 -0.490 114.8 30.7 -62.8 117.0 11.4 -3.1 34.4 31 32 A G T 3 S+ 0 0 2 19,-1.7 67,-3.1 1,-0.5 68,-0.6 0.349 84.0 134.8 112.1 -1.2 11.6 -2.1 30.7 32 33 A L E < +cB 99 50A 5 -3,-1.9 18,-2.0 18,-0.6 -1,-0.5 -0.623 32.1 160.9 -76.7 137.8 9.0 -4.5 29.5 33 34 A F E -cB 100 49A 6 66,-1.8 68,-3.2 -2,-0.3 2,-0.3 -0.999 27.7-171.0-159.9 155.5 6.6 -2.7 27.1 34 35 A L E - B 0 48A 0 14,-2.0 14,-2.0 -2,-0.3 2,-0.4 -0.862 18.5-133.2-139.9 177.0 4.1 -2.8 24.3 35 36 A L E +aB 10 47A 1 -26,-2.3 -24,-2.4 -2,-0.3 2,-0.3 -0.980 25.7 174.1-132.4 140.9 2.3 -0.4 22.0 36 37 A R E - B 0 46A 18 10,-1.4 10,-2.1 -2,-0.4 -23,-0.2 -0.925 35.0 -85.0-143.5 172.3 -1.4 -0.2 21.3 37 38 A Q E - B 0 45A 3 -25,-2.1 2,-0.6 -2,-0.3 -23,-0.3 -0.376 36.8-124.3 -73.8 155.5 -4.0 1.8 19.5 38 39 A C > - 0 0 25 6,-1.6 3,-0.9 3,-0.3 5,-0.2 -0.926 13.8-157.2-104.0 121.7 -5.6 4.9 21.1 39 40 A L T 3 S+ 0 0 94 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 0.673 87.5 42.8 -72.5 -19.1 -9.3 4.6 21.1 40 41 A R T 3 S+ 0 0 110 1,-0.1 187,-1.5 186,-0.1 2,-0.3 0.197 108.0 55.0-119.6 16.5 -10.0 8.4 21.3 41 42 A S B X S-h 227 0C 2 -3,-0.9 3,-0.6 185,-0.2 2,-0.6 -0.960 82.3-119.5-147.4 131.2 -7.5 9.9 18.9 42 43 A L T 3 S+ 0 0 20 185,-3.0 20,-0.1 -2,-0.3 3,-0.1 -0.618 96.0 1.9 -79.3 116.4 -7.2 9.1 15.3 43 44 A G T 3 S+ 0 0 19 -2,-0.6 -1,-0.2 1,-0.3 20,-0.1 0.137 102.4 123.1 98.5 -16.6 -3.7 7.8 14.4 44 45 A G < - 0 0 0 -3,-0.6 -6,-1.6 -6,-0.2 -1,-0.3 -0.268 41.7-161.8 -73.0 161.5 -2.4 7.9 18.0 45 46 A Y E -BD 37 60A 3 15,-2.0 15,-3.0 -8,-0.3 2,-0.4 -0.685 15.7-124.6-126.7-177.5 -1.0 5.0 20.1 46 47 A V E -BD 36 59A 11 -10,-2.1 -10,-1.4 13,-0.3 2,-0.7 -0.956 12.6-149.3-135.8 118.6 -0.4 4.4 23.7 47 48 A L E -BD 35 58A 0 11,-3.8 11,-4.7 -2,-0.4 2,-0.4 -0.789 21.9-176.0 -84.5 117.2 3.0 3.4 25.1 48 49 A S E +BD 34 57A 0 -14,-2.0 -14,-2.0 -2,-0.7 2,-0.3 -0.944 7.4 165.3-117.2 136.9 2.6 1.2 28.1 49 50 A L E -BD 33 56A 1 7,-2.4 7,-1.7 -2,-0.4 2,-0.6 -0.977 33.8-118.0-149.9 164.1 5.4 -0.1 30.3 50 51 A V E +BD 32 55A 0 -18,-2.0 -19,-1.7 -21,-0.3 -18,-0.6 -0.905 31.4 167.0-110.1 115.8 6.3 -1.8 33.6 51 52 A H E > S- D 0 54A 46 3,-2.4 3,-1.3 -2,-0.6 -22,-0.1 -0.996 75.1 -7.6-130.1 126.1 8.6 0.1 36.1 52 53 A D T 3 S- 0 0 109 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.888 127.7 -60.7 54.4 41.8 9.0 -1.1 39.7 53 54 A V T 3 S+ 0 0 104 -25,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.725 116.2 112.6 60.5 22.1 6.2 -3.7 39.1 54 55 A R E < -D 51 0A 195 -3,-1.3 -3,-2.4 -26,-0.1 -1,-0.2 -0.969 67.2-116.0-126.1 145.4 3.7 -0.8 38.3 55 56 A F E -D 50 0A 58 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.472 23.7-168.9 -81.9 148.5 2.1 0.0 35.0 56 57 A H E -D 49 0A 56 -7,-1.7 -7,-2.4 -2,-0.1 2,-0.6 -0.993 3.7-162.0-136.4 126.1 2.6 3.3 33.1 57 58 A H E -D 48 0A 49 -2,-0.4 -9,-0.3 -9,-0.2 -41,-0.0 -0.933 4.7-171.0-115.5 116.3 0.5 4.4 30.1 58 59 A F E -D 47 0A 46 -11,-4.7 -11,-3.8 -2,-0.6 2,-0.1 -0.898 16.4-141.1-111.0 111.2 1.8 7.0 27.8 59 60 A P E -D 46 0A 82 0, 0.0 12,-0.7 0, 0.0 2,-0.6 -0.427 12.7-155.2 -62.6 134.8 -0.5 8.5 25.2 60 61 A I E -DE 45 70A 5 -15,-3.0 -15,-2.0 10,-0.2 2,-0.3 -0.947 9.1-152.7-118.1 108.8 1.3 9.1 21.9 61 62 A E E - E 0 69A 47 8,-1.6 8,-2.0 -2,-0.6 2,-0.9 -0.578 12.4-132.2 -83.9 141.2 -0.4 11.8 19.8 62 63 A R E - E 0 68A 46 -2,-0.3 6,-0.2 6,-0.2 -18,-0.1 -0.833 29.1-144.4 -93.5 105.0 -0.1 11.8 16.0 63 64 A Q > - 0 0 70 4,-2.3 3,-0.9 -2,-0.9 155,-0.1 -0.049 21.7-105.6 -64.0 170.9 0.8 15.4 15.2 64 65 A L T 3 S+ 0 0 88 153,-0.3 -1,-0.1 1,-0.2 154,-0.0 0.899 116.0 55.9 -68.6 -42.5 -0.5 17.1 12.0 65 66 A N T 3 S- 0 0 126 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.379 124.2 -98.0 -74.6 5.8 2.7 17.0 10.0 66 67 A G S < S+ 0 0 23 -3,-0.9 -2,-0.1 1,-0.3 -1,-0.1 0.216 84.2 126.3 102.4 -17.2 2.9 13.2 10.5 67 68 A T - 0 0 25 -5,-0.1 -4,-2.3 11,-0.1 2,-0.4 -0.381 49.2-142.4 -74.1 153.2 5.3 13.1 13.4 68 69 A Y E +EF 62 76A 19 8,-2.4 8,-1.7 -6,-0.2 2,-0.3 -0.968 26.0 164.9-121.0 135.2 4.4 11.2 16.6 69 70 A A E -E 61 0A 10 -8,-2.0 -8,-1.6 -2,-0.4 2,-0.3 -0.998 40.3-116.3-151.5 142.4 5.3 12.4 20.1 70 71 A I E > -E 60 0A 17 4,-0.5 3,-3.2 -2,-0.3 -10,-0.2 -0.645 65.3 -79.4 -71.2 134.2 4.4 11.8 23.7 71 72 A A T 3 S+ 0 0 95 -12,-0.7 -1,-0.1 -2,-0.3 3,-0.1 -0.082 118.4 3.5 -39.2 118.2 2.9 15.0 25.1 72 73 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.521 115.0 103.8 78.0 4.9 5.7 17.4 25.8 73 74 A G S < S- 0 0 35 -3,-3.2 -1,-0.3 1,-0.1 2,-0.2 -0.348 81.2 -65.8-102.1-172.1 8.3 15.0 24.5 74 75 A K - 0 0 111 17,-0.2 -4,-0.5 -2,-0.1 2,-0.2 -0.501 49.5-117.0 -76.3 146.8 10.3 14.9 21.2 75 76 A A - 0 0 61 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.549 28.7-162.9 -81.5 146.9 8.6 14.3 17.8 76 77 A H B -F 68 0A 15 -8,-1.7 -8,-2.4 -2,-0.2 4,-0.0 -0.895 29.7-124.9-128.0 157.8 9.4 11.2 15.7 77 78 A C S S- 0 0 63 -2,-0.3 466,-0.1 -10,-0.2 3,-0.1 0.610 89.1 -24.8 -77.9 -10.0 8.8 10.3 12.1 78 79 A G S > S- 0 0 2 -10,-0.2 4,-3.0 1,-0.1 -1,-0.2 -0.955 71.2 -82.8 174.8 169.7 7.0 7.2 13.2 79 80 A P H > S+ 0 0 6 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.933 120.4 54.2 -53.4 -59.6 6.3 4.5 15.9 80 81 A A H > S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.937 115.2 42.8 -39.7 -63.1 9.2 2.3 15.0 81 82 A E H >> S+ 0 0 61 1,-0.3 4,-2.6 2,-0.2 3,-1.1 0.914 111.5 54.0 -49.1 -54.4 11.4 5.3 15.4 82 83 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.3 -1,-0.3 0.897 111.7 45.3 -51.0 -44.0 9.7 6.5 18.5 83 84 A C H 3< S+ 0 0 5 -4,-3.3 -1,-0.3 -3,-0.4 -2,-0.2 0.651 110.8 52.1 -78.6 -17.3 10.3 3.1 20.2 84 85 A E H XX S+ 0 0 104 -4,-1.4 3,-1.0 -3,-1.1 4,-0.8 0.907 108.7 52.2 -79.9 -44.5 13.9 2.8 19.1 85 86 A F H >X S+ 0 0 43 -4,-2.6 3,-1.4 1,-0.3 4,-0.9 0.939 110.0 45.3 -53.7 -57.7 14.7 6.2 20.6 86 87 A Y H 3< S+ 0 0 2 -4,-1.8 11,-2.5 1,-0.3 -1,-0.3 0.521 102.2 69.4 -70.7 -3.9 13.2 5.6 24.0 87 88 A S H <4 S+ 0 0 40 -3,-1.0 -1,-0.3 9,-0.2 -2,-0.2 0.776 114.6 24.7 -79.9 -28.3 15.0 2.2 24.1 88 89 A R H << S+ 0 0 182 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.1 0.387 133.2 37.1-115.9 0.2 18.4 3.9 24.4 89 90 A D < - 0 0 67 -4,-0.9 -1,-0.3 -5,-0.2 8,-0.1 -0.846 56.5-166.4-154.8 110.1 17.2 7.2 25.9 90 91 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.921 21.1-178.7 -66.1 -41.3 14.3 7.4 28.5 91 92 A D T 3 S- 0 0 52 1,-0.3 -17,-0.2 3,-0.1 -5,-0.0 0.903 78.4 -14.7 44.6 62.7 14.1 11.2 28.1 92 93 A G T 3 S+ 0 0 82 1,-0.4 -1,-0.3 -19,-0.1 -19,-0.0 -0.077 113.5 113.3 105.3 -33.0 11.4 11.9 30.7 93 94 A L S < S- 0 0 17 -3,-1.7 -1,-0.4 1,-0.1 3,-0.1 -0.340 79.1-115.0 -71.4 157.3 10.3 8.3 31.0 94 95 A P S S- 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.874 93.0 -12.3 -58.7 -43.0 10.8 6.3 34.3 95 96 A C S S- 0 0 10 -5,-0.1 2,-0.2 -6,-0.1 -64,-0.1 -0.949 84.9 -80.0-152.3 171.2 13.2 4.0 32.6 96 97 A N - 0 0 43 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.1 -0.480 50.7-101.0 -79.7 142.4 14.4 3.0 29.1 97 98 A L + 0 0 3 -11,-2.5 -65,-0.2 -2,-0.2 -1,-0.1 -0.351 54.2 157.8 -62.7 137.9 12.4 0.7 27.0 98 99 A R + 0 0 130 -67,-3.1 -66,-0.2 1,-0.2 -1,-0.2 0.545 49.4 31.2-126.7 -80.4 13.9 -2.8 27.2 99 100 A K E -c 32 0A 107 -68,-0.6 -66,-1.8 -70,-0.1 -1,-0.2 -0.776 69.6-137.6-100.3 111.5 12.0 -5.9 26.4 100 101 A P E -c 33 0A 31 0, 0.0 2,-2.0 0, 0.0 -66,-0.2 -0.327 18.7-127.7 -62.2 141.6 9.3 -5.7 23.8 101 102 A C - 0 0 6 -68,-3.2 -66,-0.2 -92,-0.2 -78,-0.0 -0.657 37.0-149.8 -82.4 79.3 6.3 -7.6 25.0 102 103 A N - 0 0 75 -2,-2.0 -93,-0.3 1,-0.1 3,-0.1 -0.276 19.9-100.3 -62.4 142.9 6.3 -9.4 21.8 103 104 A R - 0 0 56 -95,-4.0 3,-0.2 1,-0.1 -1,-0.1 -0.303 44.9-100.4 -63.3 141.7 2.8 -10.5 20.7 104 105 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.124 54.8 -72.1 -66.7 166.5 2.0 -14.1 21.4 105 106 A S T 3 S+ 0 0 134 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.316 115.7 5.8 -60.7 128.2 2.3 -16.6 18.5 106 107 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -3,-0.2 2,-0.1 0.128 96.8 119.7 92.1 -20.1 -0.5 -16.3 16.0 107 108 A L < - 0 0 66 -3,-1.5 -1,-0.3 3,-0.0 -4,-0.1 -0.441 40.8-169.4 -74.3 151.2 -2.1 -13.2 17.4 108 109 A E - 0 0 114 -2,-0.1 -97,-0.1 -3,-0.1 -103,-0.0 -0.948 39.7 -70.4-132.5 163.0 -2.3 -10.1 15.2 109 110 A P - 0 0 26 0, 0.0 -97,-0.3 0, 0.0 -98,-0.1 -0.103 53.9-114.3 -48.0 150.0 -3.3 -6.6 16.1 110 111 A Q B -g 12 0B 100 -99,-1.7 -97,-2.8 -3,-0.0 -99,-0.0 -0.823 31.9-118.5 -92.3 116.6 -7.0 -6.2 16.8 111 112 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.246 33.8-161.3 -56.9 137.8 -8.8 -4.1 14.1 112 113 A G > - 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0 0 0 13,-0.3 3,-1.2 -2,-0.1 4,-1.1 -0.249 34.7-103.3 -59.1 163.1 16.5 -21.3 -10.0 447 508 A P H >> S+ 0 0 4 0, 0.0 4,-2.8 0, 0.0 3,-1.0 0.966 115.3 62.3 -60.0 -54.9 18.7 -24.4 -10.1 448 509 A E H 3> S+ 0 0 6 69,-0.3 6,-2.3 1,-0.3 4,-1.3 0.571 99.7 57.8 -54.7 -8.7 16.0 -27.0 -10.9 449 510 A C H <> S+ 0 0 7 -3,-1.2 4,-2.1 4,-0.3 -1,-0.3 0.931 115.8 34.8 -78.2 -52.3 15.4 -25.2 -14.2 450 511 A I H << S+ 0 0 78 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.1 0.939 126.4 42.4 -59.8 -51.0 19.0 -25.6 -15.2 451 512 A N H < S+ 0 0 52 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.886 141.0 1.4 -67.2 -44.2 19.2 -29.0 -13.4 452 513 A F H < S- 0 0 129 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.2 0.284 91.2-115.3-130.5 8.8 15.9 -30.6 -14.5 453 514 A R < + 0 0 193 -4,-2.1 2,-0.8 -6,-0.3 -4,-0.3 0.918 58.8 161.1 50.1 46.7 14.3 -28.0 -16.8 454 515 A K - 0 0 113 -6,-2.3 2,-0.8 -7,-0.1 -1,-0.2 -0.828 18.7-174.1-104.7 99.7 11.5 -27.7 -14.2 455 516 A F + 0 0 49 -2,-0.8 2,-0.2 -3,-0.1 -42,-0.1 -0.820 21.0 144.7 -97.8 100.5 9.7 -24.4 -14.7 456 517 A S >> - 0 0 36 -2,-0.8 4,-1.3 -42,-0.0 3,-0.9 -0.715 66.2-102.0-120.0 174.4 7.1 -23.7 -11.9 457 518 A S H 3> S+ 0 0 19 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.759 124.8 65.3 -68.3 -22.8 6.0 -20.5 -10.2 458 519 A R H 34 S+ 0 0 66 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.784 100.1 50.7 -64.9 -27.3 8.2 -21.7 -7.4 459 520 A S H X> S+ 0 0 4 -3,-0.9 4,-1.4 2,-0.2 3,-0.7 0.862 107.6 51.7 -75.7 -38.0 11.0 -21.2 -10.0 460 521 A D H 3X S+ 0 0 2 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.898 99.7 63.9 -62.0 -41.2 9.7 -17.7 -10.7 461 522 A V H 3X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.794 101.8 53.5 -53.5 -28.6 9.8 -17.1 -6.9 462 523 A W H <> S+ 0 0 3 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.975 106.4 46.6 -70.4 -58.4 13.6 -17.6 -7.2 463 524 A S H X S+ 0 0 7 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.691 107.0 62.5 -60.2 -19.4 14.3 -15.0 -10.0 464 525 A Y H X S+ 0 0 0 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.976 101.9 48.0 -67.8 -54.5 12.1 -12.7 -7.9 465 526 A G H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.3 -2,-0.2 0.879 114.3 49.0 -50.1 -38.2 14.5 -12.8 -5.1 466 527 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.927 110.6 49.0 -67.3 -44.1 17.1 -12.2 -7.8 467 528 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.893 108.4 54.6 -61.2 -41.0 15.1 -9.3 -9.1 468 529 A M H X S+ 0 0 0 -4,-3.6 4,-3.2 1,-0.2 -1,-0.2 0.883 105.6 53.1 -59.1 -41.9 14.7 -7.9 -5.6 469 530 A W H X S+ 0 0 18 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.915 109.2 47.7 -60.8 -45.1 18.5 -7.9 -5.2 470 531 A E H <>S+ 0 0 6 -4,-1.8 5,-2.2 2,-0.2 3,-0.4 0.900 115.8 45.6 -61.0 -43.9 19.0 -5.9 -8.4 471 532 A A H ><5S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.979 112.3 48.2 -63.2 -59.6 16.4 -3.4 -7.4 472 533 A L H 3<5S+ 0 0 8 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.480 114.8 47.8 -66.2 -3.7 17.5 -3.0 -3.8 473 534 A S T ><5S- 0 0 10 -4,-0.6 3,-1.4 -3,-0.4 -1,-0.3 -0.020 117.6-111.0-123.3 28.4 21.1 -2.5 -5.0 474 535 A Y T < 5S- 0 0 23 -3,-2.1 -91,-0.5 1,-0.2 -3,-0.2 0.886 74.6 -42.4 43.1 64.3 20.2 0.0 -7.8 475 536 A G T 3 - 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