==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 18-JUN-13 4L9M . COMPND 2 MOLECULE: RAS GUANYL-RELEASING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.IWIG,Y.VERCOULEN,R.DAS,T.BARROS,A.LIMNANDER,Y.CHE,J.G.PE . 522 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 47.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 1 2 1 0 2 3 2 2 0 0 2 1 1 4 1 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 53 A L 0 0 159 0, 0.0 2,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0-174.1 -28.6 -9.4 -1.9 2 54 A G - 0 0 79 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.540 360.0-117.7 -62.8 135.7 -26.8 -11.8 -4.3 3 55 A H + 0 0 155 -2,-0.2 2,-0.4 4,-0.0 -1,-0.1 -0.755 48.6 153.5-113.0 122.9 -23.3 -11.5 -2.9 4 56 A L + 0 0 58 -2,-0.5 4,-0.1 1,-0.1 318,-0.1 -0.954 6.9 161.2-131.6 114.2 -19.9 -10.4 -4.2 5 57 A A S S+ 0 0 74 -2,-0.4 318,-0.2 2,-0.2 -1,-0.1 0.906 87.2 26.8 -94.7 -60.8 -17.4 -9.2 -1.6 6 58 A K S S- 0 0 145 1,-0.3 313,-0.2 315,-0.1 311,-0.2 0.428 117.6-126.0 -79.3 -0.9 -14.0 -9.4 -3.4 7 59 A G - 0 0 10 314,-0.1 2,-0.3 312,-0.1 -1,-0.3 -0.194 23.8 -98.6 79.7-175.2 -16.1 -8.9 -6.5 8 60 A A B -A 320 0A 13 312,-0.9 312,-1.9 -4,-0.1 5,-0.1 -0.938 33.1 -80.5-147.2 159.3 -16.1 -11.0 -9.6 9 61 A S > - 0 0 41 -2,-0.3 4,-1.9 310,-0.2 5,-0.2 -0.315 37.8-124.6 -62.4 143.8 -14.8 -11.4 -13.2 10 62 A L H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 112.1 57.9 -58.4 -40.2 -16.6 -9.3 -15.8 11 63 A D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 108.5 46.0 -54.9 -47.2 -17.2 -12.4 -17.8 12 64 A D H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.819 107.3 56.3 -69.0 -31.3 -19.1 -13.9 -14.8 13 65 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 111.3 45.4 -64.7 -39.8 -21.0 -10.7 -14.2 14 66 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.942 111.2 51.8 -63.4 -49.8 -22.2 -11.0 -17.8 15 67 A D H X S+ 0 0 61 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 111.2 48.3 -53.0 -44.9 -23.0 -14.7 -17.4 16 68 A S H X S+ 0 0 55 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.917 108.9 53.7 -62.9 -46.0 -25.0 -13.9 -14.2 17 69 A C H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.949 112.4 43.3 -53.9 -51.2 -26.9 -11.2 -16.1 18 70 A I H >< S+ 0 0 3 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.873 110.4 56.3 -61.5 -39.0 -27.8 -13.6 -18.9 19 71 A Q H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.628 89.4 74.2 -74.6 -13.6 -28.7 -16.3 -16.4 20 72 A S T << S+ 0 0 17 -4,-1.2 8,-1.3 -3,-0.8 -1,-0.3 0.769 93.9 66.2 -66.3 -27.9 -31.2 -14.0 -14.7 21 73 A F B < S-C 27 0B 11 -3,-1.3 2,-0.3 -4,-0.5 6,-0.2 -0.574 78.2-145.5 -83.4 159.2 -33.4 -14.6 -17.7 22 74 A D > - 0 0 63 4,-1.2 3,-1.7 -2,-0.2 53,-0.1 -0.766 32.2 -98.0-118.7 167.2 -34.9 -18.0 -18.6 23 75 A A T 3 S+ 0 0 44 1,-0.3 -1,-0.0 -2,-0.3 52,-0.0 0.859 126.5 52.3 -51.0 -39.9 -35.6 -19.8 -21.9 24 76 A D T 3 S- 0 0 130 1,-0.1 -1,-0.3 2,-0.1 44,-0.0 0.621 119.8-115.3 -73.3 -12.8 -39.2 -18.6 -21.8 25 77 A G < + 0 0 12 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.171 64.7 145.1 104.6 -16.7 -37.9 -15.1 -21.2 26 78 A N - 0 0 106 -5,-0.1 -4,-1.2 1,-0.1 -1,-0.3 -0.152 44.2-126.8 -58.5 149.0 -39.2 -14.5 -17.7 27 79 A L B -C 21 0B 53 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.743 24.1 -98.0-105.3 148.2 -36.9 -12.4 -15.4 28 80 A C - 0 0 60 -8,-1.3 -1,-0.1 -2,-0.3 -8,-0.1 -0.195 27.4-121.3 -60.6 151.3 -35.6 -13.3 -12.0 29 81 A R S S+ 0 0 253 1,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.780 106.4 54.7 -66.6 -25.7 -37.5 -11.9 -8.9 30 82 A S + 0 0 104 1,-0.1 3,-0.2 -10,-0.1 -1,-0.2 -0.924 61.4 160.3-112.5 107.8 -34.2 -10.3 -7.9 31 83 A N >> + 0 0 49 -2,-0.6 3,-2.0 1,-0.1 4,-1.7 0.437 34.7 113.6-100.2 -4.6 -32.7 -8.1 -10.6 32 84 A Q H 3> S+ 0 0 62 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.706 77.6 56.9 -58.4 -19.9 -30.4 -5.8 -8.9 33 85 A L H 3> S+ 0 0 71 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.893 108.3 47.8 -70.6 -40.3 -27.4 -7.4 -10.6 34 86 A L H <> S+ 0 0 2 -3,-2.0 4,-2.5 2,-0.2 5,-0.3 0.915 114.0 47.8 -59.4 -47.2 -29.0 -6.5 -14.0 35 87 A Q H X S+ 0 0 43 -4,-1.7 4,-2.5 2,-0.2 5,-0.4 0.985 114.8 42.5 -61.7 -58.9 -29.7 -3.0 -12.9 36 88 A V H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.909 119.3 44.4 -56.5 -47.4 -26.2 -2.3 -11.5 37 89 A M H X S+ 0 0 8 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.984 114.5 45.6 -62.6 -57.8 -24.5 -3.9 -14.4 38 90 A L H < S+ 0 0 3 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.803 122.6 38.4 -59.2 -32.7 -26.5 -2.5 -17.3 39 91 A T H < S+ 0 0 8 -4,-2.5 3,-0.4 -5,-0.3 -1,-0.2 0.911 127.0 30.4 -79.8 -47.7 -26.4 1.0 -15.7 40 92 A M H >< S+ 0 0 0 -4,-2.9 3,-2.1 -5,-0.4 4,-0.4 0.603 86.3 98.1 -93.6 -10.2 -22.8 1.1 -14.4 41 93 A H G >X + 0 0 0 -4,-2.7 4,-2.2 1,-0.3 3,-0.9 0.733 67.0 79.2 -54.3 -26.1 -20.8 -1.1 -16.8 42 94 A R G 34 S+ 0 0 59 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.626 85.1 61.2 -61.3 -15.1 -19.6 1.9 -18.7 43 95 A I G <4 S+ 0 0 23 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.886 111.8 34.5 -80.4 -39.1 -17.0 2.7 -16.1 44 96 A V T <4 S- 0 0 19 -3,-0.9 2,-0.3 -4,-0.4 -2,-0.2 0.929 135.7 -5.1 -79.1 -48.1 -15.1 -0.6 -16.5 45 97 A I S < S- 0 0 27 -4,-2.2 -1,-0.3 3,-0.0 2,-0.1 -0.948 78.7 -94.2-140.1 164.7 -15.6 -1.0 -20.2 46 98 A S > - 0 0 51 -2,-0.3 4,-1.6 -3,-0.1 5,-0.1 -0.347 34.1-118.8 -70.8 157.3 -17.5 0.6 -23.1 47 99 A S H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.772 112.7 59.3 -69.9 -27.8 -21.0 -0.7 -24.1 48 100 A A H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.985 107.4 43.8 -61.3 -57.9 -19.7 -1.6 -27.5 49 101 A E H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.842 113.7 52.9 -57.3 -36.0 -17.0 -4.0 -26.2 50 102 A L H X S+ 0 0 7 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.943 108.5 48.0 -64.9 -49.8 -19.6 -5.4 -23.7 51 103 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.871 109.1 55.7 -56.9 -37.6 -22.1 -6.1 -26.5 52 104 A Q H X S+ 0 0 67 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.872 104.2 52.9 -63.1 -38.3 -19.2 -7.7 -28.4 53 105 A K H X S+ 0 0 88 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.928 108.5 50.3 -60.0 -45.1 -18.7 -10.0 -25.4 54 106 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.863 109.5 51.9 -60.5 -35.6 -22.4 -10.9 -25.6 55 107 A I H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.913 108.5 48.1 -68.9 -44.8 -21.9 -11.6 -29.3 56 108 A T H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 112.2 52.6 -59.1 -40.6 -18.9 -13.9 -28.8 57 109 A L H X S+ 0 0 47 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.881 110.2 47.4 -59.2 -40.2 -21.1 -15.5 -26.2 58 110 A Y H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 111.9 47.2 -72.1 -46.4 -23.9 -15.9 -28.7 59 111 A K H X S+ 0 0 115 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.947 114.8 49.5 -58.1 -47.5 -21.8 -17.4 -31.5 60 112 A D H X S+ 0 0 91 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.949 112.8 44.8 -54.3 -56.2 -20.3 -19.8 -28.9 61 113 A A H <>S+ 0 0 2 -4,-2.7 5,-1.7 1,-0.2 -1,-0.2 0.801 112.6 51.6 -63.6 -31.3 -23.6 -20.9 -27.5 62 114 A L H ><5S+ 0 0 64 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.886 109.5 49.8 -72.8 -37.1 -25.1 -21.3 -31.0 63 115 A A H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.744 105.2 57.9 -69.5 -25.2 -22.1 -23.5 -31.9 64 116 A K T 3<5S- 0 0 152 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.520 111.7-129.9 -79.2 -8.0 -22.7 -25.5 -28.8 65 117 A N T < 5 + 0 0 144 -3,-1.0 -3,-0.2 1,-0.2 -2,-0.1 0.914 58.0 142.2 58.8 47.1 -26.2 -26.1 -30.2 66 118 A S >< - 0 0 37 -5,-1.7 4,-1.4 1,-0.1 -1,-0.2 -0.944 33.5-169.8-118.4 109.0 -28.1 -25.0 -27.1 67 119 A P H > S+ 0 0 93 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.789 84.1 60.0 -66.4 -30.2 -31.3 -23.1 -27.9 68 120 A G H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.899 104.4 45.5 -65.8 -45.6 -31.8 -22.1 -24.3 69 121 A L H > S+ 0 0 62 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.857 115.3 48.7 -69.4 -35.1 -28.6 -20.2 -23.8 70 122 A C H X S+ 0 0 4 -4,-1.4 4,-2.7 -9,-0.2 -2,-0.2 0.960 112.8 47.1 -65.3 -51.8 -29.1 -18.4 -27.1 71 123 A L H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 112.5 49.8 -55.5 -48.3 -32.7 -17.5 -26.2 72 124 A K H X S+ 0 0 34 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.918 110.1 51.0 -56.3 -45.3 -31.6 -16.3 -22.7 73 125 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.936 111.7 47.2 -58.9 -46.8 -28.9 -14.2 -24.3 74 126 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.847 110.6 51.4 -63.3 -38.6 -31.4 -12.6 -26.7 75 127 A Y H X S+ 0 0 30 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.907 109.8 50.7 -65.6 -41.8 -33.9 -12.0 -23.9 76 128 A F H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.942 113.1 45.4 -55.8 -51.7 -31.1 -10.3 -21.9 77 129 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.915 110.0 53.7 -59.1 -46.2 -30.3 -8.1 -24.9 78 130 A R H X S+ 0 0 101 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.865 109.5 50.1 -57.7 -36.7 -33.9 -7.3 -25.6 79 131 A Y H X S+ 0 0 41 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.846 108.9 51.3 -69.5 -36.6 -34.1 -6.2 -22.0 80 132 A W H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.954 114.7 42.4 -64.3 -50.1 -31.1 -4.0 -22.4 81 133 A I H < S+ 0 0 1 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.885 120.7 42.0 -62.2 -43.8 -32.5 -2.4 -25.5 82 134 A T H < S+ 0 0 59 -4,-2.4 3,-0.3 -5,-0.3 -2,-0.2 0.947 117.8 42.2 -74.1 -48.1 -36.0 -2.0 -24.1 83 135 A E H < S+ 0 0 112 -4,-2.5 2,-0.4 1,-0.3 -3,-0.2 0.804 126.3 31.0 -77.6 -30.0 -35.2 -0.9 -20.6 84 136 A F < + 0 0 39 -4,-2.0 4,-0.3 -5,-0.4 -1,-0.3 -0.820 61.1 152.5-124.5 102.2 -32.4 1.5 -21.6 85 137 A W >> + 0 0 28 -2,-0.4 4,-2.2 -3,-0.3 3,-1.0 0.835 69.8 66.9 -85.8 -36.0 -33.0 3.1 -25.0 86 138 A V H 3> S+ 0 0 62 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.866 95.5 55.1 -53.0 -45.7 -31.0 6.2 -24.1 87 139 A M H 3> S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.838 111.9 46.4 -56.3 -34.7 -27.7 4.4 -23.9 88 140 A F H <4 S+ 0 0 2 -3,-1.0 7,-0.3 -4,-0.3 -2,-0.2 0.848 112.5 47.4 -79.6 -38.1 -28.4 3.1 -27.4 89 141 A K H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.939 117.5 41.4 -67.6 -46.3 -29.5 6.4 -29.0 90 142 A M H < S+ 0 0 153 -4,-2.8 2,-0.6 -5,-0.2 -2,-0.2 0.886 103.9 73.0 -70.9 -39.1 -26.5 8.4 -27.6 91 143 A D X - 0 0 33 -4,-1.5 4,-1.4 -5,-0.3 5,-0.1 -0.679 55.4-175.6 -85.7 117.3 -23.9 5.7 -28.2 92 144 A A H > S+ 0 0 77 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.926 84.8 51.4 -73.3 -47.7 -22.9 5.3 -31.9 93 145 A S H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 109.8 51.8 -60.5 -38.1 -20.5 2.4 -31.4 94 146 A L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 110.2 47.7 -62.7 -46.8 -23.2 0.6 -29.5 95 147 A T H X S+ 0 0 37 -4,-1.4 4,-2.2 -7,-0.3 -2,-0.2 0.899 112.8 48.6 -64.5 -40.2 -25.8 1.1 -32.2 96 148 A D H X S+ 0 0 96 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.886 111.1 49.3 -67.5 -39.0 -23.4 -0.0 -34.9 97 149 A T H X S+ 0 0 11 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.790 109.7 54.7 -68.6 -25.7 -22.4 -3.1 -33.0 98 150 A M H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.894 107.8 47.1 -72.0 -43.1 -26.2 -3.7 -32.6 99 151 A E H X S+ 0 0 95 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.919 112.0 52.3 -61.9 -42.9 -26.7 -3.6 -36.3 100 152 A E H X S+ 0 0 87 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.940 110.7 46.5 -56.7 -50.3 -23.7 -5.9 -36.7 101 153 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.870 113.2 49.9 -58.7 -41.0 -25.3 -8.4 -34.2 102 154 A Q H X S+ 0 0 28 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.900 111.4 47.0 -66.9 -42.4 -28.7 -8.1 -36.0 103 155 A E H X S+ 0 0 112 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.760 112.5 53.3 -70.2 -25.5 -27.1 -8.7 -39.4 104 156 A L H X S+ 0 0 46 -4,-1.6 4,-2.2 -5,-0.2 5,-0.3 0.934 111.6 41.6 -72.5 -50.2 -25.2 -11.7 -37.8 105 157 A V H X>S+ 0 0 1 -4,-2.6 5,-1.0 1,-0.2 4,-0.9 0.725 117.3 50.8 -72.3 -20.2 -28.3 -13.3 -36.4 106 158 A K H <5S+ 0 0 139 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.841 108.0 50.2 -81.0 -38.5 -30.1 -12.5 -39.6 107 159 A A H <5S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.871 118.7 38.9 -67.1 -37.7 -27.4 -14.0 -41.8 108 160 A K H <5S- 0 0 145 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.819 101.9-164.2 -74.6 -33.2 -27.6 -17.1 -39.6 109 161 A G T <5 + 0 0 44 -4,-0.9 2,-0.9 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0 0 40 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.401 113.3-123.8 -88.1 2.4 -41.8 25.1 -2.7 231 289 A Q T < 5 + 0 0 48 -3,-2.5 63,-1.2 1,-0.2 2,-0.8 0.830 63.2 143.8 55.5 35.9 -38.9 23.0 -1.5 232 290 A N B >< +d 294 0C 0 -5,-2.8 4,-0.5 61,-0.2 -1,-0.2 -0.838 18.0 170.0-103.1 101.3 -36.8 24.0 -4.5 233 291 A F H > + 0 0 2 -2,-0.8 4,-2.2 61,-0.8 -1,-0.2 0.801 63.3 59.4 -84.0 -31.0 -33.3 24.3 -3.0 234 292 A N H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.954 111.2 36.6 -68.0 -54.9 -31.1 24.7 -6.2 235 293 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.737 113.3 62.3 -69.6 -20.4 -32.6 27.9 -7.6 236 294 A L H X S+ 0 0 0 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.944 105.2 45.5 -64.4 -47.8 -33.0 29.0 -4.0 237 295 A M H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.822 111.8 55.0 -59.8 -36.1 -29.2 28.8 -3.7 238 296 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.965 111.9 39.2 -64.4 -53.7 -29.0 30.6 -7.0 239 297 A V H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.888 120.1 44.8 -69.5 -38.9 -31.1 33.7 -6.0 240 298 A I H X 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250 308 A R T 3< S+ 0 0 60 -4,-1.1 2,-1.1 -5,-0.2 -1,-0.2 0.407 73.5 98.2 -84.7 2.5 -21.3 46.6 -1.7 251 309 A L <> + 0 0 0 -3,-0.9 4,-1.1 1,-0.2 -1,-0.1 -0.789 43.0 167.7 -92.6 103.8 -24.4 48.8 -2.0 252 310 A K H > + 0 0 140 -2,-1.1 4,-2.7 2,-0.2 5,-0.2 0.876 69.7 59.7 -84.0 -37.5 -24.7 50.4 1.3 253 311 A E H > S+ 0 0 111 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.900 108.7 45.2 -57.2 -44.8 -27.2 53.1 0.4 254 312 A T H > S+ 0 0 11 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.920 112.9 50.7 -63.8 -46.7 -29.8 50.5 -0.7 255 313 A S H < S+ 0 0 54 -4,-1.1 3,-0.3 1,-0.2 -2,-0.2 0.901 112.8 46.6 -56.1 -43.3 -29.1 48.3 2.4 256 314 A S H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.722 107.4 60.5 -73.4 -22.5 -29.6 51.4 4.6 257 315 A H H < S+ 0 0 105 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.866 100.5 54.6 -73.4 -33.7 -32.8 52.4 2.8 258 316 A V S < S- 0 0 41 -4,-1.2 5,-0.1 -3,-0.3 -43,-0.0 -0.532 85.4 -57.0-129.0 173.0 -34.9 49.3 3.3 259 317 A P > - 0 0 50 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.318 21.3-147.6 -72.5 167.7 -36.5 47.0 5.8 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A H H X S+ 0 0 12 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.867 107.3 49.2 -68.9 -36.4 -24.4 15.8 -4.5 301 359 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.857 107.7 53.8 -70.8 -34.7 -22.0 15.7 -7.4 302 360 A K H X S+ 0 0 83 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.914 108.5 51.4 -60.0 -39.9 -19.2 16.5 -5.0 303 361 A D H X S+ 0 0 30 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 109.7 48.9 -61.6 -42.9 -20.5 13.4 -3.1 304 362 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.908 112.3 47.7 -63.3 -44.6 -20.4 11.3 -6.3 305 363 A I H X S+ 0 0 41 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.929 110.4 51.6 -62.1 -47.4 -16.9 12.4 -7.1 306 364 A S H X S+ 0 0 62 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.888 111.4 48.8 -57.2 -40.6 -15.7 11.7 -3.6 307 365 A L H X S+ 0 0 51 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.924 110.8 50.0 -63.1 -45.4 -17.3 8.2 -3.9 308 366 A Y H < S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.7 43.3 -62.2 -39.8 -15.6 7.6 -7.2 309 367 A E H < S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.1 -2,-0.2 0.814 108.9 59.1 -78.4 -31.8 -12.2 8.6 -5.9 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S+ 0 0 4 -4,-2.8 4,-1.6 2,-0.2 5,-0.2 0.815 114.3 52.7 -63.0 -27.6 -45.3 38.4 -26.7 410 479 A F H X S+ 0 0 76 -4,-2.2 4,-1.6 -5,-0.3 5,-0.4 0.973 112.1 41.3 -67.7 -57.1 -47.1 38.6 -30.0 411 480 A K H < S+ 0 0 158 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.916 124.5 37.8 -58.7 -45.3 -49.9 36.2 -29.1 412 481 A N H < S+ 0 0 62 -4,-2.9 3,-0.2 -5,-0.2 -3,-0.2 0.981 127.6 24.5 -72.7 -57.4 -50.3 37.6 -25.6 413 482 A Y H < S+ 0 0 28 -4,-1.6 9,-0.3 -5,-0.3 -3,-0.2 0.427 103.7 73.9 -98.9 0.4 -49.8 41.4 -25.9 414 483 A D S >< S- 0 0 5 -4,-1.6 3,-1.1 -5,-0.2 -1,-0.2 0.861 72.8-154.6 -79.6 -36.5 -50.7 42.3 -29.5 415 484 A H T 3 - 0 0 128 -4,-0.4 3,-0.1 -5,-0.4 -4,-0.1 0.761 63.0 -75.1 65.0 28.3 -54.5 41.9 -29.2 416 485 A D T 3 S+ 0 0 153 -6,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.809 97.4 143.3 53.8 32.5 -54.6 41.1 -33.0 417 486 A Q X - 0 0 114 -3,-1.1 3,-1.0 3,-0.2 -1,-0.2 -0.892 69.1 -61.0-111.8 108.5 -54.0 44.9 -33.4 418 487 A D T 3 S- 0 0 89 -2,-0.7 -4,-0.0 1,-0.2 31,-0.0 -0.296 83.6 -66.7 55.7-142.2 -51.8 45.8 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