==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR/HYDROLASE 19-MAY-04 1TA3 . COMPND 2 MOLECULE: XYLANASE INHIBITOR PROTEIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR F.PAYAN,P.LEONE,C.FURNISS,T.TAHIR,A.DURAND,S.PORCIERO,P.MANZ . 575 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 36 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 3 3 3 0 2 3 1 2 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 7 3 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 1 A A 0 0 106 0, 0.0 246,-0.2 0, 0.0 245,-0.2 0.000 360.0 360.0 360.0 160.6 43.4 83.8 54.0 2 2 A G - 0 0 29 243,-0.8 2,-0.3 242,-0.1 246,-0.2 -0.032 360.0-174.2 -84.6-162.2 41.4 83.1 57.1 3 3 A G - 0 0 33 244,-0.2 244,-0.0 247,-0.2 -1,-0.0 -0.944 39.9 -37.7-174.1-174.8 42.2 80.6 59.8 4 4 A K + 0 0 135 -2,-0.3 270,-0.1 1,-0.1 248,-0.0 -0.313 41.1 178.6 -61.6 145.4 40.9 79.1 63.1 5 5 A T - 0 0 46 2,-0.1 -1,-0.1 268,-0.0 3,-0.1 0.417 37.3-128.9-120.0 -14.1 39.0 81.4 65.3 6 6 A G + 0 0 36 268,-1.6 2,-0.5 1,-0.2 268,-0.1 0.515 59.9 143.8 74.0 5.4 38.0 79.0 68.1 7 7 A Q + 0 0 62 244,-0.3 246,-2.3 23,-0.1 2,-0.4 -0.695 23.2 172.8 -90.7 127.1 34.4 80.1 67.7 8 8 A V E -a 253 0A 1 -2,-0.5 23,-2.5 244,-0.2 24,-1.1 -0.972 9.5-168.5-131.1 114.9 31.5 77.7 68.2 9 9 A T E -ab 254 32A 0 244,-2.1 246,-3.0 -2,-0.4 2,-0.4 -0.872 9.0-167.6-102.6 131.0 27.9 78.9 68.2 10 10 A V E -ab 255 33A 0 22,-2.2 24,-2.9 -2,-0.4 2,-0.3 -0.939 17.0-129.8-120.4 142.1 25.3 76.4 69.3 11 11 A F E + b 0 34A 0 244,-1.8 247,-2.8 -2,-0.4 246,-0.4 -0.713 29.1 180.0 -84.8 143.7 21.5 76.6 69.1 12 12 A W E + b 0 35A 2 22,-2.4 24,-1.5 -2,-0.3 8,-0.0 -0.972 48.0 59.8-138.9 153.6 19.4 75.9 72.2 13 13 A G S S+ 0 0 0 -2,-0.3 41,-0.2 2,-0.2 3,-0.1 0.321 71.5 99.5 115.3 -9.1 15.7 75.8 73.0 14 14 A R S S+ 0 0 59 1,-0.2 2,-0.3 39,-0.1 38,-0.1 0.551 86.9 32.1 -86.3 -12.4 14.4 73.1 70.6 15 15 A N > - 0 0 53 4,-0.1 3,-2.3 36,-0.1 -2,-0.2 -0.884 61.8-151.5-153.1 111.3 14.3 70.2 73.1 16 16 A K G > S+ 0 0 145 36,-0.7 3,-0.7 -2,-0.3 39,-0.2 0.679 96.4 65.1 -62.0 -14.6 13.5 70.5 76.8 17 17 A A G 3 S+ 0 0 60 1,-0.2 -1,-0.3 37,-0.1 3,-0.1 0.449 78.7 86.2 -83.7 1.5 15.6 67.3 77.4 18 18 A E G < S- 0 0 0 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.447 97.8-115.0 -83.3 0.9 18.8 69.1 76.3 19 19 A G < - 0 0 18 -3,-0.7 -1,-0.2 -4,-0.1 -4,-0.1 -0.118 45.8 -46.2 86.7 170.9 19.5 70.6 79.8 20 20 A S > - 0 0 44 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.166 46.1-112.5 -74.0 163.0 19.5 74.2 80.9 21 21 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 120.4 56.3 -54.7 -40.9 21.1 77.2 79.2 22 22 A R H > S+ 0 0 87 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.921 104.8 51.2 -59.4 -44.1 23.4 77.3 82.3 23 23 A E H > S+ 0 0 74 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.913 108.6 51.6 -62.3 -41.7 24.5 73.7 81.6 24 24 A A H ><>S+ 0 0 0 -4,-1.9 3,-0.7 2,-0.2 5,-0.5 0.956 113.5 43.5 -61.2 -46.0 25.3 74.5 78.0 25 25 A a H ><5S+ 0 0 5 -4,-2.3 3,-1.6 1,-0.2 5,-0.2 0.919 110.4 55.8 -66.3 -39.6 27.4 77.5 79.0 26 26 A D H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.654 90.0 75.6 -70.6 -13.2 29.2 75.6 81.8 27 27 A S T <<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.747 92.6-141.6 -64.8 -25.5 30.2 72.9 79.3 28 28 A G T < 5S+ 0 0 51 -3,-1.6 -2,-0.1 -4,-0.4 -3,-0.1 0.578 72.6 110.2 71.9 11.4 32.9 75.3 78.0 29 29 A M < + 0 0 37 -5,-0.5 2,-0.3 1,-0.0 -4,-0.1 0.630 65.6 61.8 -88.9 -16.0 32.2 74.0 74.5 30 30 A Y - 0 0 11 -6,-0.3 -21,-0.2 -5,-0.2 3,-0.1 -0.893 47.2-168.2-123.2 144.6 30.6 77.2 73.1 31 31 A T S S+ 0 0 42 -23,-2.5 2,-0.3 -2,-0.3 -22,-0.2 0.389 88.7 19.1-102.3 -3.0 31.5 80.8 72.5 32 32 A M E -b 9 0A 2 -24,-1.1 -22,-2.2 39,-0.2 2,-0.5 -0.903 62.3-156.4-161.5 138.4 27.8 81.8 71.9 33 33 A V E -bc 10 73A 0 39,-2.1 41,-2.5 -2,-0.3 2,-0.6 -0.991 11.0-159.2-117.1 129.6 24.5 80.2 72.6 34 34 A T E -bc 11 74A 0 -24,-2.9 -22,-2.4 -2,-0.5 41,-0.2 -0.937 10.1-145.3-113.7 109.5 21.5 81.2 70.5 35 35 A M E -bc 12 75A 0 39,-3.0 41,-3.3 -2,-0.6 2,-0.3 -0.415 27.2-120.0 -66.8 146.8 18.1 80.6 72.0 36 36 A S E + c 0 76A 0 -24,-1.5 41,-0.1 1,-0.2 13,-0.1 -0.988 55.4 11.9-148.3 137.6 15.4 79.6 69.5 37 37 A F E + 0 0 4 39,-0.6 13,-3.0 -2,-0.3 2,-1.2 0.568 17.8 177.5-135.1 146.0 12.7 80.6 68.5 38 38 A L E +Dc 49 77A 0 38,-2.2 40,-3.0 11,-0.2 11,-0.2 -0.792 36.6 174.6 -75.1 97.4 10.6 83.7 68.7 39 39 A D E + 0 0 43 -2,-1.2 2,-0.4 9,-0.7 44,-0.3 0.567 48.4 56.6 -97.2 -13.2 8.1 81.9 66.4 40 40 A V E +D 48 0A 47 8,-1.6 8,-1.7 -3,-0.1 2,-0.3 -0.987 61.1 121.6-125.5 126.1 5.2 84.4 66.3 41 41 A F B +j 84 0B 6 42,-1.1 44,-1.4 -2,-0.4 2,-0.3 -0.941 19.2 113.7-167.5 159.3 5.4 88.0 65.1 42 42 A G S S- 0 0 10 -2,-0.3 3,-0.4 42,-0.2 44,-0.1 -0.940 73.6 -39.7 169.1-146.2 3.9 90.1 62.4 43 43 A A S S+ 0 0 55 -2,-0.3 43,-0.0 1,-0.2 49,-0.0 0.513 112.2 69.5 -95.1 -6.1 1.6 93.1 61.9 44 44 A N S S- 0 0 152 2,-0.2 -1,-0.2 47,-0.0 3,-0.1 0.218 105.6-107.1 -99.8 15.5 -1.1 92.5 64.6 45 45 A G S S+ 0 0 53 -3,-0.4 2,-0.4 1,-0.2 -2,-0.1 0.550 76.5 131.5 74.7 9.1 0.9 93.1 67.8 46 46 A K + 0 0 152 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.825 29.4 175.9-101.1 129.4 1.1 89.4 68.8 47 47 A Y - 0 0 52 -2,-0.4 2,-0.3 -6,-0.1 -6,-0.2 -0.964 5.6-177.7-132.2 146.9 4.4 87.8 69.8 48 48 A H E -D 40 0A 96 -8,-1.7 -8,-1.6 -2,-0.3 -9,-0.7 -0.991 14.4-154.2-149.0 137.7 5.4 84.4 71.1 49 49 A L E -D 38 0A 30 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.963 11.3-159.5-109.9 127.5 8.6 82.7 72.2 50 50 A D + 0 0 49 -13,-3.0 -14,-0.1 -2,-0.5 -2,-0.0 -0.895 23.9 161.3-112.5 104.9 8.8 79.0 71.9 51 51 A L > - 0 0 8 -2,-0.7 3,-2.2 3,-0.1 -14,-0.1 -0.052 57.9-113.1-112.6 28.9 11.4 77.3 74.1 52 52 A S T 3 S- 0 0 34 1,-0.3 -36,-0.7 -38,-0.1 -2,-0.1 0.682 74.0 -48.1 59.7 27.2 9.9 73.8 73.8 53 53 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -38,-0.1 -39,-0.1 0.498 91.1 152.7 89.6 3.8 8.8 73.4 77.4 54 54 A H < - 0 0 18 -3,-2.2 2,-0.9 -41,-0.2 -1,-0.3 -0.324 61.9 -91.4 -58.8 150.3 12.0 74.5 79.0 55 55 A D > - 0 0 93 1,-0.2 3,-1.3 -39,-0.2 4,-0.4 -0.537 39.9-168.8 -71.8 102.4 11.6 76.0 82.5 56 56 A L G >> S+ 0 0 94 -2,-0.9 3,-1.0 1,-0.2 4,-0.6 0.773 77.6 71.4 -63.0 -29.2 11.2 79.7 81.7 57 57 A S G 34 S+ 0 0 101 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.673 102.3 43.3 -66.7 -15.5 11.6 80.7 85.4 58 58 A S G <> S+ 0 0 49 -3,-1.3 4,-2.0 2,-0.1 -1,-0.3 0.538 91.3 86.0-100.8 -12.2 15.3 79.8 85.3 59 59 A V H <> S+ 0 0 3 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 0.882 83.5 53.8 -65.8 -44.8 16.2 81.3 82.0 60 60 A G H X S+ 0 0 8 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.945 112.7 43.0 -54.4 -49.4 16.9 84.9 83.2 61 61 A A H > S+ 0 0 55 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 113.1 54.2 -65.7 -36.2 19.4 83.8 85.9 62 62 A D H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.898 106.0 52.0 -65.5 -40.1 21.0 81.3 83.4 63 63 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.951 110.6 47.9 -58.7 -49.5 21.5 84.1 80.8 64 64 A K H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.881 112.0 50.8 -61.6 -36.1 23.3 86.2 83.4 65 65 A H H X S+ 0 0 37 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.938 107.8 51.2 -65.7 -48.9 25.4 83.2 84.4 66 66 A a H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.9 0.935 111.6 48.7 -49.5 -48.8 26.4 82.4 80.9 67 67 A Q H ><5S+ 0 0 55 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.885 104.9 57.8 -64.3 -35.3 27.5 86.1 80.5 68 68 A S H 3<5S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.750 106.5 50.3 -64.7 -23.2 29.4 85.9 83.8 69 69 A K T <<5S- 0 0 116 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.268 125.9-104.5 -93.8 6.3 31.4 83.0 82.1 70 70 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.634 81.5 129.4 80.9 15.4 32.0 85.1 79.1 71 71 A V < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.905 49.6-144.4-105.1 109.4 29.4 83.4 76.9 72 72 A P - 0 0 24 0, 0.0 -39,-2.1 0, 0.0 2,-0.4 -0.316 8.2-146.8 -67.1 155.2 27.0 85.7 75.1 73 73 A V E -c 33 0A 0 -41,-0.2 48,-2.9 46,-0.2 49,-0.6 -0.993 17.2-176.8-127.2 124.3 23.4 84.6 74.6 74 74 A S E -ce 34 122A 2 -41,-2.5 -39,-3.0 -2,-0.4 2,-0.4 -0.651 20.5-127.3-113.7 169.5 21.4 85.6 71.5 75 75 A L E -ce 35 123A 0 47,-1.8 49,-2.2 -41,-0.2 2,-0.4 -0.992 14.6-148.9-120.9 127.8 17.8 85.1 70.5 76 76 A S E -ce 36 124A 0 -41,-3.3 -38,-2.2 -2,-0.4 -39,-0.6 -0.784 11.9-156.7 -94.8 135.0 16.8 83.6 67.1 77 77 A I E +ce 38 125A 0 47,-2.7 49,-2.6 -2,-0.4 2,-0.6 -0.835 59.1 22.6-110.3 148.5 13.5 84.8 65.5 78 78 A G E + e 0 126A 1 -40,-3.0 3,-0.3 -2,-0.3 2,-0.2 -0.904 63.7 177.3 105.8-115.9 11.5 82.8 62.9 79 79 A G E - e 0 127A 1 47,-2.7 49,-0.7 -2,-0.6 50,-0.3 -0.651 54.9 -53.1 102.9-167.8 12.1 79.1 62.7 80 80 A Y S S+ 0 0 94 -2,-0.2 -1,-0.1 48,-0.1 47,-0.0 0.513 103.4 97.8 -87.9 -8.0 10.5 76.4 60.5 81 81 A G S S- 0 0 42 -3,-0.3 3,-0.3 1,-0.1 48,-0.1 -0.194 75.4-126.8 -78.3 172.9 6.9 77.3 61.5 82 82 A T S S+ 0 0 132 1,-0.2 -1,-0.1 46,-0.0 -42,-0.1 0.108 80.3 99.2-109.2 20.0 4.4 79.4 59.6 83 83 A G + 0 0 39 -44,-0.3 -42,-1.1 -5,-0.1 2,-0.3 0.293 68.7 71.8 -96.9 11.3 3.5 81.9 62.4 84 84 A Y B +j 41 0B 15 -3,-0.3 2,-0.3 -44,-0.2 -42,-0.2 -0.941 41.3 145.7-135.6 148.8 5.7 84.8 61.5 85 85 A S - 0 0 46 -44,-1.4 45,-0.1 -2,-0.3 -7,-0.0 -0.944 29.4-151.0-161.7 168.8 6.0 87.6 58.9 86 86 A L + 0 0 0 -2,-0.3 49,-2.6 45,-0.1 6,-0.1 -0.344 26.4 164.6-146.6 64.9 7.2 91.2 58.7 87 87 A P + 0 0 62 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.339 56.7 34.5 -77.8 4.1 5.1 92.8 55.9 88 88 A S S > S- 0 0 44 1,-0.1 4,-1.8 47,-0.0 47,-0.3 -0.985 75.6-113.7-151.9 161.1 5.7 96.5 56.7 89 89 A N H > S+ 0 0 79 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.943 119.1 50.8 -55.9 -47.8 8.1 99.1 57.9 90 90 A R H > S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 106.7 53.3 -59.5 -44.8 5.9 99.7 60.9 91 91 A S H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 107.9 51.7 -60.8 -36.3 5.7 96.0 61.8 92 92 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.906 111.1 46.4 -66.2 -42.6 9.5 95.8 61.8 93 93 A L H X S+ 0 0 38 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.866 111.1 52.6 -67.6 -34.7 9.8 98.7 64.2 94 94 A D H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.876 109.7 49.0 -65.5 -38.3 7.1 97.2 66.4 95 95 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.906 109.9 51.4 -67.2 -43.0 9.1 94.0 66.4 96 96 A F H X S+ 0 0 11 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.938 110.4 49.4 -53.9 -48.9 12.2 95.9 67.3 97 97 A D H X S+ 0 0 53 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.924 111.3 49.3 -60.6 -40.2 10.3 97.6 70.2 98 98 A H H X S+ 0 0 37 -4,-2.3 4,-1.5 2,-0.2 5,-0.3 0.941 115.5 42.4 -64.7 -48.3 9.1 94.2 71.4 99 99 A L H X>S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.9 0.957 116.2 48.7 -63.2 -48.4 12.6 92.7 71.4 100 100 A W H X5S+ 0 0 43 -4,-3.3 6,-1.9 1,-0.2 4,-1.0 0.923 118.8 36.8 -58.7 -47.8 14.3 95.7 72.9 101 101 A N H <5S+ 0 0 10 -4,-2.4 7,-0.4 -5,-0.3 -1,-0.2 0.638 123.4 42.4 -86.5 -13.1 11.8 96.2 75.7 102 102 A S H <5S+ 0 0 5 -4,-1.5 13,-0.5 -5,-0.2 -2,-0.2 0.841 133.2 8.6 -94.3 -45.8 11.3 92.5 76.4 103 103 A Y H <5S+ 0 0 12 -4,-2.7 17,-2.7 -5,-0.3 -3,-0.2 0.528 121.5 41.5-121.2 -12.6 14.8 91.0 76.2 104 104 A F S < - 0 0 83 3,-0.4 3,-1.9 -2,-0.4 -2,-0.0 -0.999 40.5-136.3-132.2 130.9 8.4 99.9 79.5 109 109 A P T 3 S+ 0 0 144 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.825 106.3 55.5 -54.4 -29.7 5.7 99.2 82.0 110 110 A S T 3 S+ 0 0 104 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.389 96.7 73.1 -86.2 -1.3 3.5 97.8 79.1 111 111 A V S < S- 0 0 26 -3,-1.9 -3,-0.4 -10,-0.1 -1,-0.1 -0.952 81.2-134.5-118.5 107.8 6.1 95.3 77.9 112 112 A P - 0 0 101 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.245 6.1-138.0 -54.3 150.6 6.6 92.2 80.1 113 113 A R > - 0 0 64 1,-0.1 3,-1.6 -10,-0.1 -10,-0.1 -0.894 18.5-173.9-110.8 90.7 10.1 91.1 81.0 114 114 A P T 3 S+ 0 0 64 0, 0.0 -54,-0.2 0, 0.0 -1,-0.1 0.820 88.6 30.4 -58.4 -34.1 9.8 87.3 80.6 115 115 A F T > S- 0 0 19 -13,-0.5 3,-1.4 1,-0.4 -52,-0.1 -0.028 107.8-131.6-114.6 27.2 13.4 86.8 81.9 116 116 A G T < S- 0 0 34 -3,-1.6 -1,-0.4 1,-0.2 0, 0.0 -0.305 72.0 -11.5 59.4-138.8 13.5 89.9 84.2 117 117 A D T 3 S+ 0 0 114 -3,-0.1 -1,-0.2 -4,-0.1 2,-0.1 0.385 94.9 126.2 -83.1 6.1 16.5 92.2 83.9 118 118 A A < - 0 0 3 -3,-1.4 2,-0.5 -5,-0.1 -3,-0.2 -0.415 47.1-155.7 -60.5 142.3 18.6 89.8 81.8 119 119 A W - 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0 0 13 1,-0.1 4,-2.5 295,-0.1 5,-0.2 -0.987 360.0-148.9-128.2 125.4 59.7 46.7 64.8 278 3 B L H > S+ 0 0 0 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.914 101.1 46.3 -56.6 -46.0 55.9 46.5 64.5 279 4 B N H > S+ 0 0 27 32,-2.0 4,-2.4 2,-0.2 5,-0.2 0.929 112.0 48.7 -65.0 -46.5 56.1 45.6 60.9 280 5 B D H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 114.2 48.1 -61.4 -39.4 58.8 42.9 61.3 281 6 B L H X S+ 0 0 32 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.875 112.2 46.8 -68.0 -39.9 56.9 41.4 64.1 282 7 B F H <>S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.2 -2,-0.2 0.872 112.9 49.7 -74.6 -33.7 53.5 41.3 62.4 283 8 B V H ><5S+ 0 0 68 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.912 108.9 52.3 -67.2 -40.7 55.1 39.9 59.2 284 9 B A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.6 58.2 -64.6 -28.7 56.8 37.2 61.3 285 10 B A T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.457 130.8 -95.5 -80.5 -2.9 53.3 36.5 62.8 286 11 B G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.477 85.7 118.8 106.7 9.4 52.1 35.8 59.2 287 12 B K < - 0 0 26 -5,-2.2 -1,-0.3 -8,-0.1 250,-0.2 -0.407 65.3-122.3 -98.9 173.6 50.6 39.0 58.1 288 13 B S S S- 0 0 77 248,-2.7 2,-0.3 1,-0.3 249,-0.2 0.829 75.9 -24.4 -85.0 -36.8 51.7 41.3 55.2 289 14 B Y E -m 537 0D 3 247,-1.0 249,-1.1 -7,-0.1 2,-0.4 -0.985 35.6-136.1-167.4 159.8 52.4 44.5 57.0 290 15 B F E -m 538 0D 1 -2,-0.3 23,-2.0 247,-0.2 24,-0.6 -0.994 46.9-178.8-121.5 121.8 51.9 46.9 59.9 291 16 B G E -mn 539 314D 0 247,-3.1 249,-2.4 -2,-0.4 2,-0.2 -0.647 22.8-167.5-122.9 175.6 51.5 50.4 58.4 292 17 B T E - n 0 315D 0 22,-2.1 24,-1.9 247,-0.2 2,-0.3 -0.828 27.0-105.3-143.5-179.9 51.0 54.1 59.1 293 18 B C E + n 0 316D 2 247,-0.4 2,-0.3 -2,-0.2 250,-0.1 -0.852 44.3 145.4-106.5 158.5 50.0 57.3 57.3 294 19 B S E - n 0 317D 0 22,-2.0 24,-2.7 -2,-0.3 25,-0.3 -0.921 21.4-164.6-166.6-174.2 52.4 60.1 56.3 295 20 B D > - 0 0 23 -2,-0.3 4,-2.3 22,-0.2 3,-0.3 -0.947 49.1 -67.2-173.8 177.6 53.2 62.7 53.8 296 21 B Q H > S+ 0 0 64 -2,-0.3 4,-1.3 1,-0.2 5,-0.2 0.871 124.6 47.1 -51.2 -53.4 56.1 65.0 52.7 297 22 B A H > S+ 0 0 76 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.902 116.3 45.2 -57.9 -44.4 56.3 67.3 55.7 298 23 B L H 4 S+ 0 0 34 -3,-0.3 3,-0.4 1,-0.2 7,-0.3 0.805 110.7 53.1 -67.0 -32.2 56.1 64.5 58.2 299 24 B L H < S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.678 106.3 55.3 -77.4 -17.9 58.7 62.4 56.3 300 25 B Q H < S+ 0 0 109 -4,-1.3 2,-0.6 -5,-0.3 -1,-0.2 0.607 84.9 94.4 -89.4 -14.4 61.0 65.4 56.4 301 26 B N S X S- 0 0 57 -4,-0.5 4,-3.2 -3,-0.4 5,-0.3 -0.713 71.7-148.8 -76.6 116.9 60.8 65.6 60.2 302 27 B S H > S+ 0 0 99 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.854 92.8 48.9 -67.1 -33.3 63.8 63.6 61.3 303 28 B Q H > S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.938 117.1 41.7 -65.3 -44.7 62.2 62.2 64.6 304 29 B N H >> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.931 112.2 54.9 -67.8 -43.9 59.1 61.1 62.8 305 30 B E H 3X S+ 0 0 48 -4,-3.2 4,-2.8 -7,-0.3 5,-0.2 0.877 101.4 57.7 -61.9 -39.1 61.0 59.7 59.8 306 31 B A H 3X S+ 0 0 55 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.880 109.1 46.2 -59.7 -35.2 63.2 57.5 61.9 307 32 B I H S+ 0 0 51 -25,-0.3 3,-1.8 3,-0.1 6,-0.3 0.490 112.0 92.3-142.2 -21.9 46.3 63.9 52.0 320 45 B S T 3 S+ 0 0 15 1,-0.3 18,-0.5 17,-0.1 19,-0.1 0.569 89.9 46.7 -73.4 -10.6 48.5 64.0 48.9 321 46 B M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.2 2,-0.1 0.245 84.3 114.8-110.9 12.3 46.6 61.5 46.8 322 47 B K S X> S- 0 0 3 -3,-1.8 4,-2.4 1,-0.1 3,-1.0 -0.416 80.4-109.7 -79.6 158.5 43.1 63.0 47.4 323 48 B W H 3> S+ 0 0 7 33,-0.4 4,-2.8 1,-0.3 40,-0.2 0.866 115.7 58.7 -64.7 -37.9 41.4 64.5 44.4 324 49 B D H 34 S+ 0 0 53 38,-2.0 -1,-0.3 1,-0.2 39,-0.1 0.828 113.5 39.9 -60.1 -29.7 41.7 68.1 45.6 325 50 B A H <4 S+ 0 0 45 -3,-1.0 -2,-0.2 -6,-0.3 -1,-0.2 0.884 121.5 41.3 -80.4 -41.2 45.5 67.7 45.7 326 51 B L H < S+ 0 0 0 -4,-2.4 8,-2.2 1,-0.2 -2,-0.2 0.794 129.8 18.3 -83.3 -33.1 45.8 65.6 42.5 327 52 B E < + 0 0 1 -4,-2.8 -1,-0.2 6,-0.2 6,-0.2 -0.577 64.0 164.5-141.6 68.8 43.4 67.3 40.1 328 53 B P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 38,-0.2 0.706 77.4 21.1 -68.1 -20.7 42.6 70.8 41.4 329 54 B S B > S-U 332 0E 51 3,-0.8 3,-2.0 -3,-0.1 38,-0.0 -0.958 110.9 -73.9-138.8 160.0 41.1 71.9 38.0 330 55 B Q T 3 S- 0 0 117 -2,-0.3 3,-0.1 1,-0.3 49,-0.0 -0.255 114.0 -5.2 -62.9 127.4 39.8 69.6 35.3 331 56 B G T 3 S+ 0 0 41 1,-0.1 2,-0.7 48,-0.1 -1,-0.3 0.402 105.6 108.9 72.7 1.5 42.6 67.8 33.4 332 57 B N B < -U 329 0E 102 -3,-2.0 -3,-0.8 2,-0.0 2,-0.2 -0.872 53.4-167.8-111.2 96.4 45.3 69.7 35.2 333 58 B F - 0 0 45 -2,-0.7 2,-0.4 -6,-0.2 -6,-0.2 -0.567 13.0-158.9 -92.5 149.2 47.0 67.3 37.6 334 59 B G + 0 0 32 -8,-2.2 4,-0.2 -2,-0.2 3,-0.0 -0.990 16.8 167.2-128.5 122.7 49.5 68.1 40.3 335 60 B W > + 0 0 43 -2,-0.4 4,-3.1 1,-0.1 5,-0.3 0.436 39.6 106.2-117.3 -6.0 51.7 65.3 41.5 336 61 B S H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.904 86.5 38.3 -56.8 -50.9 54.5 66.8 43.7 337 62 B G H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 119.2 46.9 -65.4 -44.6 53.3 65.6 47.1 338 63 B A H > S+ 0 0 0 -18,-0.5 4,-2.4 1,-0.2 5,-0.2 0.914 111.3 52.3 -64.6 -43.1 52.1 62.2 46.0 339 64 B D H X S+ 0 0 39 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.891 106.4 54.7 -58.9 -40.7 55.3 61.7 44.0 340 65 B Y H X S+ 0 0 80 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.934 110.7 44.5 -59.4 -46.5 57.4 62.5 47.2 341 66 B L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.901 114.1 48.5 -67.2 -42.8 55.6 59.9 49.3 342 67 B V H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.941 113.0 48.2 -64.7 -42.3 55.9 57.2 46.5 343 68 B D H X S+ 0 0 85 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.896 110.1 52.5 -64.7 -39.4 59.6 57.9 46.0 344 69 B Y H X S+ 0 0 17 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.952 112.1 45.8 -57.4 -46.9 60.1 57.8 49.8 345 70 B A H <>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 4,-0.4 0.935 111.8 50.9 -64.9 -43.8 58.5 54.4 49.9 346 71 B T H ><5S+ 0 0 86 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.950 112.4 46.7 -57.6 -50.7 60.4 53.1 46.9 347 72 B Q H 3<5S+ 0 0 161 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 115.6 45.8 -60.8 -34.1 63.7 54.2 48.4 348 73 B H T 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.291 111.5-115.8 -93.6 8.4 62.8 52.6 51.8 349 74 B N T < 5S+ 0 0 153 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.891 71.9 136.7 53.6 40.7 61.5 49.3 50.4 350 75 B K < - 0 0 27 -5,-2.8 -36,-0.2 -6,-0.2 -1,-0.2 -0.788 48.2-130.1-110.5 156.2 58.1 50.2 51.7 351 76 B K E -o 314 0D 124 -38,-2.3 -36,-2.4 -2,-0.3 2,-0.4 -0.637 17.8-132.3-105.2 170.8 54.7 49.7 50.0 352 77 B V E -o 315 0D 2 -38,-0.2 44,-1.8 42,-0.2 45,-1.4 -0.949 9.8-151.5-130.4 137.6 51.9 52.2 49.6 353 78 B R E -p 397 0D 1 -38,-1.8 2,-0.2 -2,-0.4 45,-0.2 -0.948 30.5-138.7-101.7 107.4 48.1 52.3 50.0 354 79 B G E -p 398 0D 0 43,-2.8 45,-2.9 -2,-0.7 2,-0.3 -0.526 22.2-137.3 -68.3 133.9 47.0 54.8 47.4 355 80 B H E -p 399 0D 2 1,-0.2 -34,-0.5 -2,-0.2 45,-0.1 -0.962 52.0 -15.2-149.4 113.5 44.2 57.0 49.0 356 81 B T E + 0 0 2 43,-0.6 -33,-0.4 -2,-0.3 -1,-0.2 0.674 37.5 168.1-149.3 148.6 41.7 57.8 47.6 357 82 B L E S+ 0 0 1 42,-2.3 2,-0.4 1,-0.2 44,-0.2 0.863 83.6 25.6 -80.4 -42.4 40.3 57.9 44.1 358 83 B V E S+p 401 0D 1 42,-1.1 44,-2.1 41,-0.3 2,-0.3 -0.979 75.6 133.8-131.3 116.5 36.5 58.6 44.5 359 84 B W - 0 0 11 -2,-0.4 44,-0.1 42,-0.2 -36,-0.1 -0.980 51.5-134.3-162.2 144.8 35.2 60.4 47.6 360 85 B H S S+ 0 0 30 42,-0.4 3,-0.5 -2,-0.3 2,-0.3 0.684 87.0 73.2 -77.3 -21.8 32.8 63.2 48.4 361 86 B S S S+ 0 0 15 1,-0.2 -38,-0.2 42,-0.0 -37,-0.2 -0.674 101.0 16.1 -98.4 155.3 35.2 64.9 50.9 362 87 B Q S S+ 0 0 19 -2,-0.3 -38,-2.0 1,-0.2 -37,-0.2 0.881 92.1 142.7 47.9 41.3 38.3 66.8 49.9 363 88 B L - 0 0 12 -3,-0.5 -1,-0.2 -40,-0.2 5,-0.1 -0.892 58.3-107.0-107.4 134.8 36.9 66.9 46.4 364 89 B P >> - 0 0 12 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.348 24.1-122.2 -64.5 147.0 37.3 70.0 44.3 365 90 B S H 3> S+ 0 0 34 1,-0.3 4,-1.5 2,-0.2 -162,-0.1 0.805 107.6 70.4 -62.5 -24.8 34.2 72.1 43.8 366 91 B W H 34 S+ 0 0 46 -38,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.808 98.8 50.3 -62.0 -28.7 34.5 71.8 40.0 367 92 B V H X4 S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.2 -1,-0.2 0.928 108.7 47.2 -76.1 -46.6 33.6 68.1 40.3 368 93 B S H 3< S+ 0 0 21 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.723 104.5 64.6 -72.4 -11.9 30.4 68.6 42.5 369 94 B S T 3< S+ 0 0 88 -4,-1.5 -1,-0.3 2,-0.0 2,-0.2 0.534 73.8 114.2 -80.9 -10.1 29.3 71.4 40.0 370 95 B I < - 0 0 18 -3,-1.5 49,-0.0 -4,-0.2 -3,-0.0 -0.475 43.6-176.3 -64.9 129.9 29.0 68.8 37.2 371 96 B G + 0 0 67 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.515 55.8 74.8-106.9 -4.8 25.3 68.6 36.3 372 97 B D > - 0 0 81 1,-0.1 4,-2.2 2,-0.0 5,-0.2 -0.927 66.4-144.7-123.8 123.8 25.4 65.9 33.7 373 98 B A H > S+ 0 0 32 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.891 101.8 50.1 -49.9 -50.1 25.9 62.1 34.2 374 99 B N H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 109.6 51.3 -64.6 -35.9 27.9 61.5 31.1 375 100 B T H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 110.8 48.4 -63.2 -44.7 30.2 64.3 31.9 376 101 B L H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.915 108.1 54.6 -62.6 -41.7 30.8 62.9 35.4 377 102 B R H X S+ 0 0 111 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.928 112.3 44.2 -56.1 -46.2 31.4 59.4 34.0 378 103 B S H X S+ 0 0 82 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 115.7 47.3 -64.8 -45.9 34.1 60.9 31.7 379 104 B V H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.910 115.3 44.1 -61.8 -46.7 35.6 63.1 34.5 380 105 B M H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 5,-0.3 0.903 113.9 50.1 -68.0 -41.3 35.7 60.2 37.0 381 106 B T H X S+ 0 0 44 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.944 113.2 46.8 -61.4 -46.7 37.1 57.7 34.5 382 107 B N H X S+ 0 0 64 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.920 110.2 52.5 -60.6 -45.3 39.8 60.1 33.5 383 108 B H H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.942 115.2 40.8 -56.0 -51.8 40.7 61.0 37.1 384 109 B I H X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.5 0.934 114.1 52.3 -63.4 -47.3 41.1 57.3 38.0 385 110 B N H X5S+ 0 0 73 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.914 113.7 43.1 -58.7 -43.5 42.9 56.4 34.8 386 111 B E H X5S+ 0 0 81 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.898 118.5 42.9 -72.0 -40.2 45.5 59.1 35.1 387 112 B V H X5S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.951 119.6 40.6 -73.2 -51.5 46.2 58.7 38.8 388 113 B V H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.897 117.2 52.0 -61.9 -39.2 46.3 54.8 38.8 389 114 B G H ><< S+ 0 0 5 -4,-1.5 3,-2.7 -5,-0.1 4,-0.3 0.210 84.1 154.8 -95.5 15.3 51.7 55.0 39.7 392 117 B K T < S+ 0 0 129 -3,-1.3 44,-0.1 1,-0.3 -3,-0.1 -0.168 72.3 9.1 -49.5 129.2 51.2 51.7 37.8 393 118 B G T 3 S+ 0 0 58 2,-0.2 -1,-0.3 1,-0.0 -4,-0.1 0.332 115.5 80.5 81.7 -1.5 53.2 48.9 39.4 394 119 B K S < S+ 0 0 110 -3,-2.7 2,-0.5 1,-0.0 -42,-0.2 0.318 74.7 80.3-113.4 3.2 54.1 51.1 42.5 395 120 B I - 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