==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-MAR-13 4JGH . COMPND 2 MOLECULE: SUPPRESSOR OF CYTOKINE SIGNALING 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.K.KIM,M.J.KWAK,B.KU,H.Y.SUH,K.JOO,J.LEE,J.U.JUNG,B.H.OH . 731 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 33 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 5 0 2 0 0 1 0 3 3 3 0 2 1 1 1 0 1 1 1 1 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 2 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 . 5 0 0 2 2 0 2 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 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 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 26 A H 0 0 135 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -44.6 11.3 33.7 -38.3 2 27 A M + 0 0 114 74,-0.2 3,-0.1 4,-0.1 75,-0.0 -0.286 360.0 134.9 -51.5 109.9 15.0 34.4 -38.6 3 28 A D > - 0 0 70 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.978 62.0-121.8-158.7 147.8 15.4 35.9 -42.1 4 29 A P H > S+ 0 0 103 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.938 114.5 32.5 -59.6 -48.0 17.2 38.9 -43.6 5 30 A E H > S+ 0 0 136 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.760 118.0 54.3 -81.4 -26.4 14.0 40.5 -45.1 6 31 A F H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.840 108.3 49.6 -75.6 -33.6 11.7 39.3 -42.3 7 32 A Q H X S+ 0 0 49 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.832 107.3 54.5 -72.7 -32.7 13.9 40.8 -39.6 8 33 A A H X S+ 0 0 58 -4,-1.0 4,-2.0 -5,-0.2 -1,-0.2 0.788 111.6 46.1 -70.4 -27.5 14.0 44.1 -41.5 9 34 A A H X S+ 0 0 56 -4,-0.9 4,-2.4 2,-0.2 5,-0.2 0.962 110.4 49.6 -77.1 -57.4 10.1 44.1 -41.5 10 35 A R H X S+ 0 0 51 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.854 116.9 45.4 -48.8 -39.8 9.7 43.2 -37.9 11 36 A L H X S+ 0 0 43 -4,-1.8 4,-2.9 2,-0.2 5,-0.4 0.994 109.4 50.4 -68.3 -64.9 12.1 46.0 -37.0 12 37 A A H < S+ 0 0 50 -4,-2.0 4,-0.2 1,-0.2 -2,-0.2 0.784 117.6 44.8 -44.1 -32.5 10.7 48.7 -39.3 13 38 A K H >X S+ 0 0 122 -4,-2.4 4,-2.1 2,-0.2 3,-1.9 0.964 112.6 45.7 -77.8 -58.4 7.3 47.9 -37.8 14 39 A A H 3< S+ 0 0 3 -4,-2.6 4,-0.4 1,-0.3 84,-0.2 0.756 114.8 51.8 -56.6 -24.1 8.3 47.7 -34.1 15 40 A L T 3X S+ 0 0 62 -4,-2.9 4,-0.6 -5,-0.2 -1,-0.3 0.622 106.6 55.7 -86.2 -15.5 10.2 50.9 -34.7 16 41 A R T X4 S+ 0 0 167 -3,-1.9 3,-0.8 -5,-0.4 -2,-0.2 0.930 107.4 44.7 -81.2 -50.3 7.1 52.4 -36.3 17 42 A E G >< S+ 0 0 56 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.676 102.2 71.0 -68.3 -15.8 4.8 51.9 -33.3 18 43 A L G >> S+ 0 0 1 -4,-0.4 3,-1.3 -5,-0.3 4,-0.7 0.900 96.2 49.9 -66.9 -39.5 7.7 53.2 -31.1 19 44 A G G << S+ 0 0 46 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.340 102.2 66.7 -80.2 10.2 7.1 56.7 -32.4 20 45 A Q G <4 S+ 0 0 143 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.190 92.8 59.4-112.0 11.5 3.4 56.1 -31.6 21 46 A T T <4 S- 0 0 9 -3,-1.3 -2,-0.2 106,-0.0 -3,-0.1 0.742 98.1-126.0-107.2 -39.4 4.0 56.0 -27.8 22 47 A G S < S+ 0 0 19 -4,-0.7 102,-3.3 101,-0.1 103,-0.2 0.379 86.4 97.4 106.1 -3.5 5.5 59.4 -27.2 23 48 A W + 0 0 0 -5,-0.4 24,-2.0 100,-0.2 2,-0.6 0.502 53.7 104.9 -93.5 -6.1 8.7 58.2 -25.4 24 49 A Y B -a 47 0A 74 -6,-0.4 24,-0.2 22,-0.1 100,-0.1 -0.673 47.6-175.9 -77.7 116.9 10.8 58.5 -28.5 25 50 A W - 0 0 44 22,-3.4 3,-0.2 -2,-0.6 23,-0.1 0.002 23.0-144.1-104.7 29.9 12.9 61.6 -28.1 26 51 A G - 0 0 19 1,-0.2 23,-2.6 21,-0.1 2,-1.6 -0.068 69.4 -6.9 47.9-140.5 14.7 61.6 -31.5 27 52 A S S S+ 0 0 108 21,-0.2 2,-0.5 23,-0.0 -1,-0.2 -0.436 81.2 164.4 -87.4 63.2 18.3 62.8 -31.6 28 53 A M - 0 0 16 -2,-1.6 -3,-0.1 -3,-0.2 -2,-0.0 -0.699 35.8-124.4 -82.1 125.6 18.5 64.0 -28.0 29 54 A T > - 0 0 56 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.117 19.8-111.1 -64.6 167.6 22.1 64.5 -26.9 30 55 A V H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.890 117.2 51.8 -68.9 -39.9 23.5 62.7 -23.9 31 56 A N H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 110.3 49.8 -61.6 -44.7 23.9 65.9 -21.8 32 57 A E H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 108.7 52.0 -62.1 -36.4 20.3 66.7 -22.6 33 58 A A H X S+ 0 0 3 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.837 110.3 50.0 -68.7 -31.0 19.2 63.2 -21.5 34 59 A K H X S+ 0 0 116 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.899 108.7 51.9 -72.3 -41.9 21.2 63.9 -18.3 35 60 A E H X S+ 0 0 138 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.947 111.6 46.0 -59.1 -51.7 19.4 67.2 -17.8 36 61 A K H < S+ 0 0 54 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.904 126.1 29.2 -58.9 -45.4 15.9 65.7 -18.2 37 62 A L H >< S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.2 -2,-0.2 0.701 92.0 95.9 -91.1 -22.4 16.6 62.7 -15.9 38 63 A K H 3< S+ 0 0 120 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.1 0.804 102.6 23.7 -35.2 -49.8 19.2 64.2 -13.5 39 64 A E T 3< S+ 0 0 160 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.458 99.9 113.9-101.0 -4.0 16.6 65.0 -10.9 40 65 A A S < S- 0 0 13 -3,-1.4 2,-0.1 -4,-0.1 3,-0.1 -0.151 74.0 -95.1 -64.8 163.8 14.0 62.5 -11.9 41 66 A P > - 0 0 65 0, 0.0 3,-2.2 0, 0.0 21,-0.3 -0.450 53.6 -77.7 -79.6 153.7 13.0 59.6 -9.6 42 67 A E T 3 S+ 0 0 80 1,-0.3 21,-0.2 -2,-0.1 3,-0.1 -0.280 120.7 30.6 -52.7 124.1 14.6 56.1 -10.0 43 68 A G T 3 S+ 0 0 0 19,-2.0 76,-2.6 1,-0.3 77,-0.6 0.235 79.9 132.1 110.6 -13.4 13.0 54.3 -12.9 44 69 A T E < +b 120 0A 0 -3,-2.2 18,-1.5 75,-0.2 -1,-0.3 -0.640 33.6 159.9 -76.0 118.5 12.2 57.4 -15.0 45 70 A F E -bC 121 61A 0 75,-1.3 77,-2.7 -2,-0.6 2,-0.3 -0.678 24.7-170.3-130.0-176.9 13.4 56.6 -18.6 46 71 A L E - C 0 60A 0 14,-1.5 14,-2.6 75,-0.2 2,-0.4 -0.949 22.5-119.0-169.2 160.6 13.1 57.6 -22.2 47 72 A I E +aC 24 59A 0 -24,-2.0 -22,-3.4 -2,-0.3 2,-0.3 -0.920 35.9 157.6-116.1 138.3 14.2 56.3 -25.6 48 73 A R E - C 0 58A 19 10,-2.2 10,-2.8 -2,-0.4 -21,-0.2 -0.945 43.4 -68.1-150.6 170.5 16.4 58.1 -28.1 49 74 A D E - C 0 57A 55 -23,-2.6 2,-0.4 -2,-0.3 8,-0.2 -0.335 41.7-134.8 -65.9 141.0 18.7 57.7 -31.1 50 75 A S - 0 0 17 6,-1.6 2,-0.4 2,-0.2 -1,-0.1 -0.808 7.9-139.1 -97.0 133.0 22.1 56.0 -30.6 51 76 A S S S+ 0 0 139 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.040 78.6 95.4 -80.6 35.6 25.1 57.7 -32.2 52 77 A H S S- 0 0 73 -2,-0.4 -2,-0.2 3,-0.3 3,-0.0 -0.928 70.1-141.4-128.5 152.2 26.2 54.1 -33.1 53 78 A S S S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.745 92.0 59.9 -84.6 -27.2 25.8 51.9 -36.2 54 79 A D S S+ 0 0 130 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.788 112.7 27.8 -75.5 -29.0 25.1 48.5 -34.7 55 80 A Y - 0 0 43 1,-0.1 -3,-0.3 18,-0.1 -5,-0.1 -0.920 62.1-152.7-130.2 158.6 22.0 49.4 -32.8 56 81 A L S S+ 0 0 89 16,-0.4 -6,-1.6 -2,-0.3 2,-0.3 0.814 70.9 50.5-100.4 -36.5 19.3 52.0 -33.3 57 82 A L E -CD 49 72A 12 15,-0.6 15,-0.9 -8,-0.2 2,-0.4 -0.840 55.5-163.8-114.7 146.9 17.8 52.9 -30.0 58 83 A T E -CD 48 71A 5 -10,-2.8 -10,-2.2 -2,-0.3 2,-0.6 -0.945 14.6-140.1-122.2 142.4 19.2 53.9 -26.6 59 84 A I E -CD 47 70A 1 11,-2.7 11,-1.3 -2,-0.4 2,-0.6 -0.913 11.3-163.5-108.0 116.3 17.5 53.8 -23.2 60 85 A S E +CD 46 69A 1 -14,-2.6 -14,-1.5 -2,-0.6 2,-0.3 -0.877 23.0 166.3 -97.8 119.2 18.2 56.7 -20.9 61 86 A V E -CD 45 68A 1 7,-2.0 7,-3.1 -2,-0.6 2,-0.5 -0.941 37.0-116.7-134.9 155.7 17.1 55.9 -17.4 62 87 A K E + D 0 67A 33 -18,-1.5 -19,-2.0 -2,-0.3 55,-0.3 -0.813 42.2 169.2 -94.7 126.7 17.6 57.3 -13.9 63 88 A T E > - D 0 66A 10 3,-2.6 3,-2.6 -2,-0.5 53,-0.1 -0.668 52.3 -81.7-127.7-177.9 19.4 55.0 -11.5 64 89 A S T 3 S+ 0 0 73 51,-0.7 52,-0.1 1,-0.3 -22,-0.0 0.886 132.4 44.4 -50.5 -44.2 21.1 54.8 -8.0 65 90 A A T 3 S- 0 0 83 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.208 125.8-103.4 -88.1 14.9 24.2 56.3 -9.6 66 91 A G E < S-D 63 0A 13 -3,-2.6 -3,-2.6 -29,-0.0 -1,-0.3 -0.579 73.1 -3.8 99.0-163.5 22.2 58.8 -11.5 67 92 A P E -D 62 0A 31 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.442 67.5-178.1 -69.9 137.0 21.2 58.9 -15.2 68 93 A T E -D 61 0A 49 -7,-3.1 -7,-2.0 -2,-0.2 2,-0.4 -0.894 19.0-139.7-133.4 162.9 22.6 56.2 -17.4 69 94 A N E +D 60 0A 62 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.976 25.4 163.9-125.8 137.2 22.5 55.1 -21.1 70 95 A L E -D 59 0A 17 -11,-1.3 -11,-2.7 -2,-0.4 12,-0.1 -0.958 31.5-102.0-159.2 138.3 22.2 51.6 -22.5 71 96 A R E -D 58 0A 71 -2,-0.3 11,-0.6 -13,-0.2 2,-0.3 0.243 8.1-145.9 -50.0 169.9 21.4 49.8 -25.7 72 97 A I E -DE 57 81A 7 -15,-0.9 -15,-0.6 9,-0.2 -16,-0.4 -0.839 33.4-157.0-139.9 88.6 18.3 48.1 -27.0 73 98 A E E - E 0 80A 24 7,-1.0 7,-2.3 -2,-0.3 2,-0.4 -0.405 11.2-158.0 -79.6 151.1 19.8 45.3 -29.1 74 99 A Y E + E 0 79A 48 5,-0.2 2,-0.3 -2,-0.1 5,-0.2 -0.979 25.9 144.6-132.4 118.7 18.2 43.4 -32.0 75 100 A Q E > + E 0 78A 98 3,-2.0 3,-1.8 -2,-0.4 -73,-0.0 -0.992 63.5 9.8-152.2 148.3 19.3 40.0 -33.2 76 101 A D T 3 S- 0 0 84 -2,-0.3 -74,-0.2 1,-0.3 3,-0.1 0.791 129.0 -60.0 51.9 31.1 17.6 36.8 -34.6 77 102 A G T 3 S+ 0 0 2 1,-0.2 2,-0.3 -76,-0.1 -1,-0.3 0.700 114.7 105.8 73.5 21.2 14.4 38.8 -34.9 78 103 A K E < -E 75 0A 47 -3,-1.8 -3,-2.0 15,-0.0 2,-0.5 -0.976 62.5-134.2-135.2 148.3 14.1 39.6 -31.2 79 104 A F E +EF 74 94A 15 15,-3.6 15,-2.3 -2,-0.3 2,-0.3 -0.871 30.8 170.3-101.9 128.4 14.6 42.7 -29.0 80 105 A R E -E 73 0A 39 -7,-2.3 -7,-1.0 -2,-0.5 13,-0.1 -0.912 34.6-102.8-132.9 160.1 16.6 42.3 -25.8 81 106 A L E -E 72 0A 18 11,-0.4 -9,-0.2 -2,-0.3 -8,-0.1 -0.070 65.1 -58.0 -70.2-178.6 18.0 44.7 -23.3 82 107 A D - 0 0 15 -11,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.243 43.4-129.5 -61.3 151.1 21.7 45.5 -23.3 83 108 A S S S+ 0 0 86 1,-0.2 4,-0.2 -3,-0.1 -1,-0.1 0.936 104.4 62.5 -66.2 -48.5 24.1 42.6 -22.8 84 109 A I S S+ 0 0 148 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.800 84.5 90.5 -45.7 -40.6 26.0 44.3 -20.0 85 110 A I S S- 0 0 37 -3,-0.1 2,-0.9 1,-0.1 -4,-0.1 -0.480 80.5-132.4 -67.8 122.5 22.9 44.4 -17.8 86 111 A C - 0 0 114 -2,-0.3 2,-0.5 26,-0.1 -1,-0.1 -0.669 32.7-166.1 -75.6 107.6 22.6 41.3 -15.6 87 112 A V - 0 0 36 -2,-0.9 2,-0.5 -4,-0.2 5,-0.0 -0.867 20.9-175.0-106.9 131.2 19.0 40.4 -16.3 88 113 A K + 0 0 192 -2,-0.5 2,-0.3 3,-0.0 -2,-0.0 -0.806 38.0 124.2-121.0 86.4 17.0 37.9 -14.2 89 114 A S - 0 0 28 -2,-0.5 3,-0.1 1,-0.1 -2,-0.1 -0.982 68.0-122.1-144.8 156.0 13.6 37.5 -15.8 90 115 A K S S+ 0 0 211 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.759 106.1 39.7 -66.0 -23.6 11.3 34.8 -17.3 91 116 A L + 0 0 64 1,-0.1 -1,-0.2 -3,-0.0 3,-0.1 -0.992 52.2 157.6-132.4 129.8 11.4 36.7 -20.6 92 117 A K + 0 0 99 -2,-0.4 2,-0.4 1,-0.2 -11,-0.4 0.466 64.4 62.6-124.6 -9.8 14.4 38.4 -22.2 93 118 A Q + 0 0 77 -13,-0.1 2,-0.3 -15,-0.0 -13,-0.2 -0.979 57.5 172.1-125.8 128.4 13.4 38.5 -25.9 94 119 A F B -F 79 0A 2 -15,-2.3 -15,-3.6 -2,-0.4 3,-0.1 -0.826 33.8-133.7-128.3 167.2 10.4 40.4 -27.4 95 120 A D S S+ 0 0 73 -2,-0.3 2,-0.4 -17,-0.2 -81,-0.2 0.866 90.9 45.8 -87.7 -42.9 9.1 41.1 -30.8 96 121 A S S > S- 0 0 11 1,-0.1 4,-2.0 -17,-0.1 -1,-0.1 -0.847 72.6-138.8-105.5 140.4 8.3 44.8 -30.4 97 122 A V H > S+ 0 0 2 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.813 111.7 51.6 -63.0 -27.8 10.6 47.3 -28.7 98 123 A V H > S+ 0 0 0 -84,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.809 104.5 54.7 -77.6 -31.5 7.4 48.6 -27.1 99 124 A H H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.1 -2,-0.2 0.871 108.7 51.1 -68.2 -35.4 6.4 45.2 -25.9 100 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.992 108.8 47.6 -62.7 -63.4 9.8 45.0 -24.3 101 126 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.830 112.7 51.6 -47.9 -39.3 9.6 48.3 -22.4 102 127 A D H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.973 106.7 50.7 -65.5 -55.5 6.1 47.4 -21.2 103 128 A Y H X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 3,-0.4 0.935 115.2 42.9 -46.4 -57.4 6.9 44.0 -19.8 104 129 A Y H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 5,-0.5 0.867 110.0 56.3 -59.7 -39.9 9.8 45.4 -17.8 105 130 A V H X S+ 0 0 14 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.849 109.4 47.9 -62.3 -33.1 7.9 48.4 -16.6 106 131 A Q H X S+ 0 0 69 -4,-2.2 4,-1.5 -3,-0.4 -2,-0.2 0.949 120.2 36.4 -71.5 -48.8 5.2 46.1 -15.2 107 132 A M H < S+ 0 0 85 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.999 121.8 41.9 -64.8 -69.5 7.7 43.9 -13.4 108 133 A C H < S+ 0 0 37 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.850 116.6 48.6 -46.0 -48.4 10.3 46.5 -12.3 109 134 A K H < 0 0 53 -4,-1.2 -1,-0.2 9,-0.6 -2,-0.2 0.872 360.0 360.0 -64.4 -39.4 7.7 49.0 -11.2 110 135 A D < 0 0 176 -4,-1.5 -3,-0.2 -3,-0.4 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52.9 -78.7 -34.1 -19.3 61.1 -39.7 473 115 D E H >< S+ 0 0 36 -4,-0.7 3,-2.8 -3,-0.2 -2,-0.2 0.972 105.9 50.3 -63.4 -57.9 -16.0 61.7 -41.6 474 116 D I T 3< S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.538 112.2 51.6 -60.2 -6.4 -13.8 59.7 -39.2 475 117 D T T 3 0 0 39 -3,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.342 360.0 360.0-111.6 2.1 -16.5 56.9 -39.6 476 118 D L < 0 0 105 -3,-2.8 -3,-0.2 -4,-0.1 -2,-0.0 -0.035 360.0 360.0-145.6 360.0 -16.4 56.9 -43.4 477 ! 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 0.0 478 129 D N 0 0 107 0, 0.0 -5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.5 -11.5 69.1 -41.7 479 130 D V + 0 0 39 2,-0.1 6,-0.1 3,-0.1 -12,-0.1 0.577 360.0 51.6 -97.1 -12.6 -14.5 71.1 -42.9 480 131 D E S S+ 0 0 123 1,-0.2 -1,-0.1 5,-0.0 -17,-0.0 0.863 110.8 44.0 -89.7 -43.7 -13.3 71.7 -46.5 481 132 D D S S+ 0 0 121 4,-0.1 -1,-0.2 5,-0.0 -2,-0.1 0.183 90.7 145.9 -85.6 16.7 -12.5 68.1 -47.4 482 133 D S > - 0 0 1 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.298 52.6-144.8 -59.8 133.2 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D E T 3 S+ 0 0 176 1,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.134 124.5 35.0-128.4 41.7 -6.5 66.3 -59.6 542 193 D D < - 0 0 54 -3,-1.0 -1,-0.3 -5,-0.1 -3,-0.2 -0.491 52.3-176.4 171.4 111.5 -7.1 69.9 -60.6 543 194 D K S S+ 0 0 122 1,-0.2 3,-0.2 -2,-0.1 4,-0.1 0.692 84.3 52.2 -96.6 -19.1 -9.7 72.2 -59.1 544 195 D L S > S+ 0 0 17 1,-0.2 4,-3.1 2,-0.1 3,-0.3 0.286 77.2 109.8 -98.9 13.7 -9.3 75.2 -61.2 545 196 D Q H > S+ 0 0 60 1,-0.3 4,-2.5 -3,-0.2 5,-0.3 0.937 85.3 34.9 -51.8 -58.9 -9.8 73.2 -64.4 546 197 D I H 4>S+ 0 0 26 -3,-0.2 5,-1.0 -13,-0.2 4,-0.4 0.633 116.2 59.7 -74.1 -11.5 -13.2 74.5 -65.4 547 198 D Y H 4>S+ 0 0 0 -3,-0.3 5,-3.7 3,-0.2 6,-0.3 0.893 113.6 34.7 -79.1 -43.4 -12.2 77.8 -63.9 548 199 D R H <>S+ 0 0 93 -4,-3.1 5,-2.1 3,-0.2 -2,-0.2 0.978 120.2 46.4 -73.3 -59.7 -9.3 78.2 -66.3 549 200 D D T <5S+ 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.679 132.7 14.8 -58.7 -19.1 -10.8 76.5 -69.4 550 201 D N T >5S+ 0 0 45 -4,-0.4 4,-2.5 -5,-0.3 -3,-0.2 0.665 129.1 27.3-119.0 -80.7 -14.0 78.5 -68.9 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4,-2.3 2,-0.2 5,-0.2 0.967 85.9 43.2 -68.0 -57.1 11.7 108.2 -77.4 631 282 D Q H X S+ 0 0 90 -4,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.770 115.9 51.4 -62.0 -28.4 14.6 110.1 -79.0 632 283 D G H > S+ 0 0 26 -4,-0.2 4,-1.2 2,-0.2 3,-0.4 0.905 111.7 43.3 -77.0 -43.2 12.3 113.2 -79.3 633 284 D M H <>S+ 0 0 6 -4,-1.8 5,-2.0 1,-0.2 -2,-0.2 0.871 109.5 58.4 -69.2 -37.7 11.2 113.3 -75.7 634 285 D I H <5S+ 0 0 5 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.737 104.4 53.3 -64.8 -23.2 14.7 112.6 -74.5 635 286 D K H <5S+ 0 0 130 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.860 108.2 46.2 -80.7 -38.4 15.9 115.7 -76.3 636 287 D R T <5S- 0 0 145 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.285 113.1-120.8 -85.9 11.9 13.4 118.2 -74.8 637 288 D N T 5 + 0 0 75 -3,-0.3 2,-0.9 1,-0.2 3,-0.2 0.958 46.5 172.8 45.2 62.4 14.3 116.6 -71.4 638 289 D E >< + 0 0 47 -5,-2.0 4,-2.6 1,-0.2 3,-0.4 -0.528 6.9 163.5 -98.7 63.1 10.7 115.5 -70.9 639 290 D T H > S+ 0 0 24 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.836 70.5 60.3 -49.6 -39.7 11.4 113.5 -67.8 640 291 D E H > S+ 0 0 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3< S+ 0 0 71 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.672 94.9 54.4 -81.1 -18.0 9.6 98.0 -68.6 651 302 D K T <4 S+ 0 0 102 -3,-3.5 -2,-0.2 -5,-0.1 -1,-0.2 0.806 96.1 76.1 -83.0 -33.8 6.7 95.4 -68.6 652 303 D V S >< S- 0 0 6 -4,-0.8 3,-1.8 1,-0.1 4,-0.3 -0.612 93.3-108.7 -82.1 136.8 7.4 94.2 -72.2 653 304 D P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.428 107.4 9.4 -65.5 135.7 10.3 91.9 -72.7 654 305 D N T 3 S+ 0 0 99 -2,-0.1 -4,-0.1 -4,-0.1 -3,-0.1 0.788 97.2 135.4 63.3 25.4 13.2 93.6 -74.6 655 306 D G S < S+ 0 0 1 -3,-1.8 -5,-0.2 1,-0.2 4,-0.2 0.880 70.9 28.1 -74.0 -40.5 11.0 96.7 -73.9 656 307 D I S > S+ 0 0 4 -4,-0.3 4,-2.3 -7,-0.2 3,-0.2 0.374 90.1 98.1-104.3 4.0 13.7 99.1 -72.8 657 308 D E T 4 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.880 90.7 45.9 -56.0 -37.9 16.6 97.6 -74.7 658 309 D P T > S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.744 108.5 53.9 -77.5 -26.3 16.0 100.4 -77.3 659 310 D M H > S+ 0 0 1 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.859 102.7 57.9 -75.1 -34.2 15.6 103.2 -74.8 660 311 D L H X S+ 0 0 26 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.733 113.4 41.0 -65.2 -22.0 19.0 102.2 -73.3 661 312 D K H > S+ 0 0 102 -4,-0.4 4,-1.7 -5,-0.2 5,-0.3 0.890 108.4 56.2 -89.5 -50.9 20.4 102.8 -76.8 662 313 D D H < S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.1 0.620 115.2 44.6 -56.7 -11.5 18.4 106.0 -77.6 663 314 D L H >X S+ 0 0 1 -4,-0.8 4,-2.9 2,-0.2 3,-1.2 0.876 112.9 42.9 -96.3 -62.0 19.9 107.4 -74.5 664 315 D E H 3X S+ 0 0 46 -4,-1.3 4,-1.0 1,-0.3 -2,-0.2 0.602 117.2 53.5 -62.2 -7.7 23.6 106.4 -74.7 665 316 D E H 3X S+ 0 0 98 -4,-1.7 4,-1.3 2,-0.2 -1,-0.3 0.701 108.4 46.9 -96.6 -26.1 23.3 107.4 -78.3 666 317 D H H <> S+ 0 0 21 -3,-1.2 4,-3.9 -5,-0.3 5,-0.4 0.844 111.8 52.1 -80.4 -38.2 21.9 110.9 -77.4 667 318 D I H X S+ 0 0 1 -4,-2.9 4,-3.8 2,-0.2 5,-0.3 0.992 111.7 44.0 -60.2 -62.4 24.6 111.3 -74.8 668 319 D I H X S+ 0 0 60 -4,-1.0 4,-1.7 1,-0.2 -1,-0.2 0.897 120.6 44.6 -48.3 -45.0 27.4 110.6 -77.2 669 320 D S H < S+ 0 0 80 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.975 120.9 35.1 -65.2 -59.2 25.7 112.7 -79.8 670 321 D A H X S+ 0 0 19 -4,-3.9 4,-1.0 1,-0.2 -2,-0.2 0.773 114.6 60.3 -68.4 -28.2 24.8 115.7 -77.6 671 322 D G H >X S+ 0 0 0 -4,-3.8 4,-1.6 -5,-0.4 3,-0.9 0.958 107.1 41.3 -65.7 -52.9 27.9 115.4 -75.5 672 323 D L H 3X S+ 0 0 43 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.563 111.2 61.3 -72.2 -7.3 30.4 115.9 -78.3 673 324 D A H 3> S+ 0 0 56 -4,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.723 103.3 48.5 -87.7 -25.7 28.1 118.6 -79.6 674 325 D D H X S+ 0 0 9 -4,-1.6 3,-1.7 2,-0.2 4,-1.1 0.994 114.2 43.5 -67.3 -65.9 32.4 120.3 -76.5 676 327 D V H 3< S+ 0 0 115 -4,-1.3 3,-0.4 1,-0.3 4,-0.2 0.835 113.9 53.6 -49.7 -38.6 33.0 121.1 -80.2 677 328 D A H 3< S+ 0 0 86 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.703 117.2 36.3 -72.4 -20.6 30.5 124.0 -79.9 678 329 D A H XX S+ 0 0 21 -3,-1.7 3,-2.4 -4,-0.7 4,-1.6 0.366 80.1 112.7-112.0 2.2 32.3 125.5 -76.9 679 330 D A H 3X + 0 0 27 -4,-1.1 4,-2.2 -3,-0.4 5,-0.3 0.757 58.5 82.9 -45.0 -31.1 35.9 124.7 -78.0 680 331 D E H 34 S+ 0 0 94 -4,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.793 112.2 15.8 -45.8 -34.6 36.5 128.4 -78.4 681 332 D T H X> S+ 0 0 76 -3,-2.4 3,-1.2 2,-0.1 4,-1.1 0.753 117.8 67.1-108.8 -40.5 37.2 128.5 -74.6 682 333 D I H 3< S+ 0 0 2 -4,-1.6 7,-0.2 1,-0.3 6,-0.2 0.780 96.4 58.0 -53.3 -33.2 37.7 124.9 -73.7 683 334 D T T 3< S+ 0 0 51 -4,-2.2 -1,-0.3 1,-0.2 -3,-0.1 0.794 101.2 55.1 -71.9 -28.5 40.9 124.7 -75.7 684 335 D T T <4 S+ 0 0 118 -3,-1.2 2,-0.4 -5,-0.3 -1,-0.2 0.826 112.7 38.4 -74.7 -32.9 42.6 127.5 -73.8 685 336 D D X - 0 0 65 -4,-1.1 4,-0.6 1,-0.1 -1,-0.2 -0.969 59.2-151.9-128.1 136.9 42.2 126.0 -70.4 686 337 D S H > S+ 0 0 65 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.701 104.3 50.1 -71.9 -20.6 42.4 122.4 -69.0 687 338 D E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.704 104.2 54.0 -91.2 -23.6 40.0 123.4 -66.3 688 339 D K H > S+ 0 0 97 2,-0.2 4,-0.8 -6,-0.2 -2,-0.2 0.638 109.3 54.6 -80.8 -14.7 37.4 125.0 -68.6 689 340 D Y H >X S+ 0 0 45 -4,-0.6 4,-1.7 -7,-0.2 3,-0.5 0.947 109.3 42.9 -78.4 -57.3 37.6 121.6 -70.4 690 341 D R H 3X S+ 0 0 137 -4,-1.5 4,-2.8 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