==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-13 4JIX . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ0123; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR M.LOPEZ-PELEGRIN,N.CERDA-COSTA,F.MARTINEZ-JIMENEZ,A.CINTAS-P . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 44.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 2 0 0 0 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 123 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.2 47.3 -27.5 -11.6 2 -1 A P - 0 0 133 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.521 360.0-116.4 -74.2 138.5 48.7 -24.3 -13.2 3 1 A M - 0 0 159 -2,-0.2 2,-0.1 1,-0.1 3,-0.1 -0.626 28.8-117.5 -74.9 126.0 48.3 -21.1 -11.2 4 2 A A - 0 0 86 -2,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.454 44.7 -93.7 -62.2 130.1 46.0 -18.6 -13.0 5 3 A I - 0 0 164 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.345 35.3-122.0 -54.8 120.3 48.2 -15.5 -13.7 6 4 A N - 0 0 142 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.586 39.4-116.8 -67.1 109.1 47.7 -12.9 -10.9 7 5 A E - 0 0 184 -2,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.163 37.6 -79.6 -52.5 145.5 46.5 -9.9 -12.9 8 6 A N - 0 0 168 1,-0.1 2,-0.2 -3,-0.0 -1,-0.2 -0.221 50.5-114.0 -50.4 123.4 48.6 -6.6 -13.0 9 7 A K - 0 0 116 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.494 30.0-121.6 -66.4 124.4 48.1 -4.6 -9.8 10 8 A K - 0 0 70 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.505 34.8-101.2 -65.1 136.0 46.3 -1.3 -10.6 11 9 A D >> - 0 0 88 -2,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.391 24.9-125.3 -61.8 137.8 48.4 1.8 -9.6 12 10 A I H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.875 111.6 56.0 -53.7 -39.9 47.2 3.3 -6.3 13 11 A K H 3> S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.855 105.9 51.6 -62.2 -36.6 46.8 6.7 -8.0 14 12 A D H <> S+ 0 0 83 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.861 108.3 50.7 -68.2 -38.6 44.4 5.1 -10.7 15 13 A I H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.935 113.5 46.0 -63.0 -47.4 42.2 3.6 -7.9 16 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.3 0.939 112.8 49.3 -59.2 -50.9 42.0 7.0 -6.2 17 15 A N H X S+ 0 0 78 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.856 107.5 54.5 -61.6 -37.7 41.2 8.9 -9.5 18 16 A E H X S+ 0 0 91 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.868 111.3 45.5 -63.0 -38.7 38.5 6.4 -10.5 19 17 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.3 -2,-0.2 0.912 110.3 52.6 -72.6 -43.7 36.7 7.0 -7.1 20 18 A L H <>S+ 0 0 22 -4,-2.4 5,-2.8 2,-0.2 4,-0.4 0.896 113.6 46.0 -57.8 -38.1 37.1 10.8 -7.4 21 19 A I H ><5S+ 0 0 135 -4,-2.2 3,-1.4 3,-0.2 -2,-0.2 0.971 114.2 45.6 -68.5 -52.3 35.5 10.5 -10.8 22 20 A S H 3<5S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.836 116.9 45.5 -62.1 -34.4 32.6 8.2 -9.7 23 21 A L T 3<5S- 0 0 1 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.512 110.4-126.2 -84.5 -5.3 31.9 10.4 -6.6 24 22 A N T < 5 + 0 0 143 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.2 0.908 51.0 160.1 58.7 46.9 32.1 13.6 -8.8 25 23 A I < + 0 0 20 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.900 16.5 170.5 -98.9 115.6 34.8 15.2 -6.6 26 24 A N + 0 0 166 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 0.268 43.4 111.4-107.0 9.6 36.7 18.0 -8.5 27 25 A E S S- 0 0 82 -7,-0.1 2,-0.1 1,-0.1 -2,-0.0 -0.669 75.5-112.5 -81.1 140.7 38.5 19.3 -5.4 28 26 A S - 0 0 108 -2,-0.3 2,-0.3 1,-0.0 -2,-0.1 -0.417 37.2-170.2 -69.9 143.0 42.2 18.7 -5.5 29 27 A I - 0 0 26 -2,-0.1 2,-0.4 20,-0.0 20,-0.2 -0.935 19.6-129.5-132.4 159.6 43.7 16.2 -2.9 30 28 A N E -a 49 0A 91 18,-2.7 20,-3.2 -2,-0.3 2,-0.5 -0.855 18.3-149.5-102.9 142.5 47.1 15.1 -1.7 31 29 A I E -a 50 0A 41 -2,-0.4 2,-0.5 18,-0.2 20,-0.2 -0.981 13.2-174.9-116.5 121.7 47.9 11.4 -1.5 32 30 A E E -a 51 0A 76 18,-2.8 20,-3.0 -2,-0.5 2,-0.7 -0.973 6.4-173.1-119.8 114.6 50.4 10.2 1.1 33 31 A I E +a 52 0A 55 -2,-0.5 20,-0.2 18,-0.2 18,-0.1 -0.934 33.4 135.9-107.0 104.8 51.5 6.6 1.2 34 32 A K E -a 53 0A 86 18,-1.8 20,-1.5 -2,-0.7 21,-0.1 -0.962 63.5 -78.8-145.3 161.1 53.6 6.1 4.3 35 33 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.470 50.1-168.3 -63.7 130.0 54.1 3.7 7.3 36 34 A M - 0 0 27 106,-0.2 19,-0.1 3,-0.1 17,-0.0 -1.000 18.9-173.1-125.8 129.0 51.2 4.4 9.7 37 35 A K S S+ 0 0 155 -2,-0.4 104,-0.1 1,-0.1 -1,-0.1 0.748 84.9 40.3 -88.7 -33.4 51.1 3.0 13.2 38 36 A Q S S+ 0 0 118 1,-0.1 2,-0.3 122,-0.1 -1,-0.1 0.628 121.1 11.0 -95.0 -24.1 47.6 4.1 14.3 39 37 A K - 0 0 68 1,-0.1 178,-0.2 178,-0.1 177,-0.1 -0.948 51.0-136.1-146.7 170.5 45.5 3.5 11.1 40 38 A I S S+ 0 0 11 176,-2.5 13,-2.8 1,-0.4 2,-0.3 0.656 95.2 6.4-103.5 -20.6 45.4 1.9 7.7 41 39 A A E +B 52 0A 1 175,-1.7 -1,-0.4 11,-0.2 2,-0.3 -0.987 63.4 166.2-158.8 149.9 43.8 5.1 6.2 42 40 A S E -B 51 0A 33 9,-2.0 9,-2.8 -2,-0.3 2,-0.4 -0.960 20.4-143.5-155.0 166.7 42.7 8.6 7.1 43 41 A F E -B 50 0A 26 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.984 8.6-153.2-139.7 128.3 41.6 11.9 5.5 44 42 A S E >> -B 49 0A 31 5,-2.2 4,-1.5 -2,-0.4 5,-1.3 -0.908 6.8-169.2-104.7 117.9 42.6 15.3 6.7 45 43 A F T 45S+ 0 0 60 -2,-0.6 -1,-0.1 3,-0.2 34,-0.0 0.795 88.2 62.3 -69.1 -29.5 40.0 18.1 5.9 46 44 A K T 45S+ 0 0 201 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.923 123.6 15.8 -63.4 -46.8 42.7 20.7 7.0 47 45 A T T 45S- 0 0 67 2,-0.1 -2,-0.2 -17,-0.0 -1,-0.2 0.453 99.1-124.3-107.8 -1.3 45.2 19.7 4.3 48 46 A K T <5 + 0 0 70 -4,-1.5 -18,-2.7 1,-0.2 2,-0.5 0.941 58.4 156.2 55.8 48.7 42.9 17.7 2.0 49 47 A T E < -aB 30 44A 5 -5,-1.3 -5,-2.2 -20,-0.2 2,-0.6 -0.944 39.6-154.1-114.8 123.0 45.3 14.7 2.3 50 48 A L E -aB 31 43A 0 -20,-3.2 -18,-2.8 -2,-0.5 2,-0.5 -0.835 19.3-159.7 -89.2 118.1 44.3 11.1 1.9 51 49 A R E -aB 32 42A 63 -9,-2.8 -9,-2.0 -2,-0.6 2,-0.4 -0.921 9.5-174.4-105.8 129.3 46.8 9.1 4.0 52 50 A L E -aB 33 41A 4 -20,-3.0 -18,-1.8 -2,-0.5 2,-0.3 -0.988 30.4-112.3-126.4 134.5 47.3 5.4 3.2 53 51 A N E > -a 34 0A 11 -13,-2.8 4,-2.5 -2,-0.4 5,-0.2 -0.488 24.0-139.1 -66.6 125.6 49.3 2.8 5.1 54 52 A K H > S+ 0 0 88 -20,-1.5 4,-1.7 -2,-0.3 -1,-0.1 0.857 100.1 48.2 -54.3 -48.6 52.3 1.8 2.9 55 53 A Y H > S+ 0 0 55 87,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.896 113.1 49.3 -62.6 -41.2 52.2 -2.0 3.8 56 54 A V H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.926 109.9 50.8 -62.6 -47.3 48.4 -2.1 3.1 57 55 A V H < S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.859 115.7 43.5 -60.3 -35.0 48.8 -0.3 -0.3 58 56 A E H < S+ 0 0 109 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.666 126.8 26.7 -86.2 -17.9 51.6 -2.8 -1.3 59 57 A N H < S+ 0 0 69 -4,-1.3 2,-0.2 -3,-0.5 -2,-0.2 0.626 94.4 91.9-123.6 -17.5 49.8 -6.0 -0.1 60 58 A F S < S- 0 0 1 -4,-2.9 47,-0.0 -5,-0.2 5,-0.0 -0.616 76.2-109.9 -84.7 146.7 46.0 -5.6 -0.1 61 59 A D > - 0 0 120 -2,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.202 32.5-105.4 -64.9 159.4 43.9 -6.6 -3.2 62 60 A E H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.844 118.4 59.8 -55.4 -44.4 42.2 -3.9 -5.3 63 61 A E H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 109.8 42.5 -53.5 -44.3 38.7 -4.7 -3.9 64 62 A L H > S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.911 115.2 49.1 -71.5 -41.0 40.0 -3.9 -0.3 65 63 A L H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.893 110.8 50.9 -63.5 -42.3 41.9 -0.8 -1.4 66 64 A H H X S+ 0 0 44 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.903 111.4 47.6 -59.3 -47.3 38.9 0.6 -3.4 67 65 A Y H X S+ 0 0 2 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.873 112.9 48.3 -61.8 -43.8 36.6 0.1 -0.4 68 66 A I H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.916 115.6 43.0 -63.7 -49.9 39.1 1.8 2.1 69 67 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.891 111.8 55.4 -65.0 -43.3 39.7 4.8 -0.3 70 68 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.894 105.0 54.1 -55.5 -44.2 35.9 5.0 -1.0 71 69 A H H X S+ 0 0 9 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.944 112.1 42.4 -56.0 -52.7 35.2 5.3 2.7 72 70 A E H X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.845 114.9 49.5 -62.8 -39.6 37.6 8.3 3.2 73 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.786 102.8 59.6 -78.4 -23.4 36.4 10.1 0.0 74 72 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.954 105.9 50.9 -64.3 -44.9 32.7 9.7 0.9 75 73 A H H X>S+ 0 0 14 -4,-1.5 5,-1.7 1,-0.2 4,-1.0 0.903 111.5 47.5 -54.2 -47.0 33.5 11.8 4.1 76 74 A F H <5S+ 0 0 0 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.919 112.2 49.9 -63.1 -42.9 35.3 14.4 1.9 77 75 A K H <5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.903 117.0 38.3 -62.6 -46.1 32.3 14.5 -0.5 78 76 A I H <5S- 0 0 35 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.496 104.6-127.7 -85.4 -4.9 29.6 15.0 2.2 79 77 A K T <5S+ 0 0 109 -4,-1.0 2,-0.3 -3,-0.5 -3,-0.2 0.931 70.6 115.6 55.9 49.9 31.8 17.3 4.3 80 78 A S < - 0 0 36 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.973 59.4-156.7-148.9 134.7 31.3 15.2 7.4 81 79 A I S S+ 0 0 125 -2,-0.3 2,-0.1 -3,-0.1 -6,-0.1 0.476 77.3 89.3 -82.9 -5.4 33.6 13.1 9.6 82 80 A N S S- 0 0 104 -7,-0.1 2,-0.1 1,-0.0 -2,-0.1 -0.373 77.6-131.2 -92.7 167.7 30.4 11.1 10.7 83 81 A H + 0 0 66 -2,-0.1 -2,-0.0 4,-0.1 -1,-0.0 -0.502 54.0 146.2-113.4 55.0 28.7 8.0 9.3 84 82 A G S > S- 0 0 38 -2,-0.1 4,-2.2 1,-0.0 3,-0.3 0.053 71.5 -76.1 -76.4-165.9 25.1 9.4 9.2 85 83 A I H > S+ 0 0 126 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.865 133.4 58.5 -63.1 -34.0 22.3 8.7 6.7 86 84 A K H > S+ 0 0 149 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.840 107.6 46.8 -65.9 -31.3 24.2 11.1 4.2 87 85 A F H > S+ 0 0 6 -3,-0.3 4,-2.2 2,-0.2 3,-0.4 0.957 113.5 47.6 -70.8 -50.9 27.2 8.8 4.5 88 86 A E H X S+ 0 0 96 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.866 106.2 59.4 -57.1 -40.3 25.0 5.6 4.0 89 87 A N H < S+ 0 0 92 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.866 110.6 40.6 -58.2 -42.1 23.3 7.3 1.0 90 88 A E H >< S+ 0 0 42 -4,-1.2 3,-1.1 -3,-0.4 -1,-0.2 0.910 115.2 50.9 -72.4 -44.4 26.6 7.6 -0.9 91 89 A L H >X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 3,-2.0 0.850 100.9 63.1 -61.8 -37.4 27.9 4.2 0.1 92 90 A R T 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.643 90.4 66.7 -66.4 -15.7 24.7 2.5 -1.0 93 91 A N T <4 S+ 0 0 127 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.575 116.4 28.2 -76.5 -11.3 25.3 3.6 -4.6 94 92 A Y T <4 S+ 0 0 59 -3,-2.0 2,-0.3 1,-0.3 -2,-0.2 0.743 129.4 11.8-113.9 -47.8 28.4 1.2 -4.4 95 93 A F < - 0 0 37 -4,-2.4 -1,-0.3 4,-0.0 -2,-0.0 -0.999 61.7-126.9-144.2 142.1 27.5 -1.6 -1.9 96 94 A S > - 0 0 52 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.231 43.6-100.5 -71.1 167.5 24.6 -3.1 0.0 97 95 A K H > S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 125.5 51.2 -58.5 -43.4 25.0 -3.5 3.8 98 96 A N H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.891 109.4 49.3 -61.3 -44.2 25.7 -7.2 3.4 99 97 A E H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.861 110.9 51.0 -62.7 -38.9 28.5 -6.5 0.7 100 98 A C H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.909 108.9 50.1 -64.5 -44.9 30.0 -3.9 3.1 101 99 A D H X S+ 0 0 43 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.889 111.3 51.0 -59.6 -40.7 30.0 -6.4 6.0 102 100 A E H X S+ 0 0 118 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.905 113.7 41.5 -62.8 -49.7 31.8 -9.0 3.7 103 101 A I H X S+ 0 0 6 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.895 113.5 53.5 -67.3 -43.3 34.5 -6.6 2.5 104 102 A E H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.882 107.6 51.6 -61.4 -36.0 35.1 -5.2 6.1 105 103 A L H X S+ 0 0 53 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.886 107.1 52.9 -68.5 -36.0 35.5 -8.8 7.4 106 104 A K H X S+ 0 0 95 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.914 110.2 48.8 -62.6 -41.6 38.1 -9.5 4.6 107 105 A I H >X S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 4,-0.6 0.947 112.2 47.7 -61.3 -51.1 40.0 -6.3 5.8 108 106 A I H >X S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.2 4,-1.4 0.927 111.0 51.2 -56.7 -45.9 39.8 -7.4 9.5 109 107 A Q H 3< S+ 0 0 50 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.584 99.8 63.1 -78.1 -3.5 41.1 -10.9 8.6 110 108 A K H << S+ 0 0 82 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.656 114.9 34.6 -82.0 -19.0 44.1 -9.5 6.7 111 109 A L H << 0 0 8 -3,-1.7 34,-3.0 -4,-0.6 35,-2.1 0.603 360.0 360.0-112.4 -17.6 45.2 -8.1 10.1 112 110 A I < 0 0 20 -4,-1.4 -3,-0.2 33,-0.2 -2,-0.1 0.448 360.0 360.0-129.9 360.0 44.1 -10.8 12.6 113 !* 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 0.0 114 7 B K 0 0 248 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -44.0 42.8 -1.1 33.1 115 8 B K - 0 0 92 1,-0.1 5,-0.1 2,-0.1 2,-0.0 -0.495 360.0-106.5 -68.7 130.3 43.1 -5.0 33.1 116 9 B D > - 0 0 86 -2,-0.2 4,-1.7 1,-0.1 3,-0.4 -0.337 23.2-127.6 -59.6 136.4 46.7 -6.1 32.1 117 10 B I H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.851 108.5 52.9 -56.0 -40.5 46.7 -7.6 28.6 118 11 B K H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.839 106.3 53.9 -69.1 -30.3 48.5 -10.9 29.7 119 12 B D H > S+ 0 0 88 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.906 109.6 48.4 -66.4 -41.8 45.8 -11.4 32.4 120 13 B I H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.938 112.4 47.7 -61.7 -49.7 43.1 -11.1 29.6 121 14 B V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.920 112.5 49.9 -57.9 -46.8 45.0 -13.6 27.4 122 15 B N H X S+ 0 0 77 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.858 109.3 50.7 -62.3 -37.9 45.4 -16.0 30.4 123 16 B E H X S+ 0 0 106 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.885 112.1 47.9 -65.5 -38.8 41.6 -15.8 31.2 124 17 B I H X S+ 0 0 13 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.889 107.2 54.9 -71.4 -40.4 40.7 -16.6 27.6 125 18 B L H <>S+ 0 0 18 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.925 115.0 41.3 -57.1 -42.6 43.1 -19.6 27.4 126 19 B I H ><5S+ 0 0 129 -4,-1.7 3,-1.7 3,-0.2 -2,-0.2 0.916 113.1 50.9 -74.2 -43.5 41.4 -21.1 30.5 127 20 B S H 3<5S+ 0 0 57 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.844 109.4 52.3 -67.3 -26.8 37.8 -20.2 29.4 128 21 B L T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.492 113.6-123.5 -80.4 -3.8 38.5 -21.8 26.0 129 22 B N T < 5 + 0 0 136 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.845 52.5 163.0 62.5 35.5 39.7 -25.0 27.9 130 23 B I < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.721 18.8-179.1 -80.9 135.2 43.1 -24.8 26.1 131 24 B N + 0 0 156 -2,-0.3 2,-0.5 2,-0.1 -1,-0.1 0.081 51.4 96.2-126.0 19.5 45.6 -26.9 28.0 132 25 B E S S- 0 0 73 -7,-0.1 -2,-0.0 0, 0.0 50,-0.0 -0.974 75.8-122.7-114.7 117.5 48.7 -26.2 25.8 133 26 B S - 0 0 114 -2,-0.5 2,-0.3 1,-0.1 -2,-0.1 -0.150 30.6-167.5 -57.7 147.4 51.0 -23.5 27.0 134 27 B I - 0 0 26 20,-0.0 2,-0.4 21,-0.0 20,-0.2 -0.845 21.8-118.1-132.1 168.7 51.8 -20.5 24.6 135 28 B N E -c 154 0B 91 18,-2.7 20,-3.1 -2,-0.3 2,-0.5 -0.876 25.1-153.0-104.0 140.0 54.2 -17.6 24.3 136 29 B I E -c 155 0B 28 -2,-0.4 2,-0.5 18,-0.2 20,-0.2 -0.985 11.7-175.4-118.1 124.1 52.7 -14.1 24.4 137 30 B E E -c 156 0B 77 18,-3.0 20,-2.9 -2,-0.5 2,-0.6 -0.983 9.1-170.0-120.5 125.7 54.5 -11.2 22.6 138 31 B I E +c 157 0B 50 -2,-0.5 20,-0.2 18,-0.2 18,-0.1 -0.970 36.1 135.5-110.9 108.3 53.3 -7.5 22.9 139 32 B K E -c 158 0B 80 18,-1.8 20,-1.6 -2,-0.6 21,-0.1 -0.988 62.1 -79.7-150.6 160.4 55.3 -5.6 20.3 140 33 B P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.400 47.1-167.1 -62.1 136.8 55.0 -2.9 17.6 141 34 B M - 0 0 30 -104,-0.1 19,-0.1 3,-0.1 17,-0.0 -0.985 19.2-173.2-132.8 118.9 53.8 -4.7 14.4 142 35 B K S S+ 0 0 172 -2,-0.4 -87,-0.2 1,-0.1 -106,-0.2 0.700 87.4 36.3 -84.3 -20.0 53.9 -2.9 11.0 143 36 B Q S S+ 0 0 91 1,-0.1 2,-0.3 -88,-0.1 -1,-0.1 0.566 117.8 23.4-109.9 -16.6 51.9 -5.7 9.1 144 37 B K - 0 0 73 1,-0.1 -32,-0.2 -32,-0.0 3,-0.1 -0.946 49.3-140.6-149.3 167.5 49.3 -7.0 11.5 145 38 B I S S- 0 0 9 -34,-3.0 13,-3.0 1,-0.4 2,-0.3 0.734 93.5 -9.1 -92.9 -39.2 47.0 -6.4 14.6 146 39 B A E +D 157 0B 0 -35,-2.1 -1,-0.4 11,-0.2 2,-0.3 -0.976 63.4 179.2-159.5 150.7 47.5 -10.0 15.9 147 40 B S E -D 156 0B 30 9,-1.9 9,-2.8 -2,-0.3 2,-0.4 -0.979 15.8-147.6-150.8 159.9 48.9 -13.3 14.8 148 41 B F E -D 155 0B 24 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.982 8.7-153.7-135.2 122.6 49.4 -16.9 16.0 149 42 B S E >> -D 154 0B 30 5,-2.5 4,-1.4 -2,-0.4 5,-1.3 -0.864 4.8-169.1 -95.9 112.3 52.3 -19.1 15.1 150 43 B F T 45S+ 0 0 75 -2,-0.7 -1,-0.2 3,-0.2 34,-0.0 0.818 87.3 60.0 -67.4 -29.3 51.4 -22.8 15.3 151 44 B K T 45S+ 0 0 189 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.917 123.1 18.3 -65.1 -48.2 55.2 -23.6 14.9 152 45 B T T 45S- 0 0 56 2,-0.1 -1,-0.2 -17,-0.0 -2,-0.2 0.410 100.2-124.9-104.8 -1.4 56.4 -21.7 18.0 153 46 B K T <5 + 0 0 69 -4,-1.4 -18,-2.7 1,-0.2 2,-0.5 0.950 57.9 155.8 54.4 50.5 52.9 -21.5 19.8 154 47 B T E < -cD 135 149B 6 -5,-1.3 -5,-2.5 -20,-0.2 2,-0.5 -0.964 36.6-157.2-116.8 123.8 53.4 -17.7 19.9 155 48 B L E -cD 136 148B 0 -20,-3.1 -18,-3.0 -2,-0.5 2,-0.5 -0.863 14.7-164.6 -92.9 122.5 50.5 -15.2 20.2 156 49 B R E -cD 137 147B 65 -9,-2.8 -9,-1.9 -2,-0.5 2,-0.4 -0.957 4.7-171.0-113.0 128.0 51.7 -11.8 18.9 157 50 B L E -cD 138 146B 6 -20,-2.9 -18,-1.8 -2,-0.5 2,-0.3 -0.986 30.5-112.5-122.8 133.4 49.6 -8.7 19.7 158 51 B N E > -c 139 0B 12 -13,-3.0 4,-2.5 -2,-0.4 5,-0.2 -0.463 22.8-143.6 -64.6 119.8 50.2 -5.2 18.2 159 52 B K H > S+ 0 0 81 -20,-1.6 4,-2.0 -2,-0.3 -1,-0.1 0.865 98.6 51.5 -54.7 -44.9 51.4 -2.9 21.1 160 53 B Y H > S+ 0 0 30 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.927 112.1 46.4 -59.5 -46.6 49.5 0.2 19.8 161 54 B V H >> S+ 0 0 9 1,-0.2 4,-3.2 2,-0.2 3,-0.7 0.931 111.0 52.5 -60.8 -48.4 46.2 -1.8 19.5 162 55 B V H 3< S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.2 40.8 -53.6 -42.1 46.7 -3.3 23.1 163 56 B E H 3< S+ 0 0 117 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.603 127.4 29.3 -86.5 -14.4 47.2 0.2 24.5 164 57 B N H << S+ 0 0 72 -4,-1.2 2,-0.3 -3,-0.7 -2,-0.2 0.620 94.8 88.7-124.3 -19.1 44.5 2.0 22.5 165 58 B F S < S- 0 0 14 -4,-3.2 5,-0.1 -5,-0.2 47,-0.0 -0.660 81.5-102.8 -87.3 144.9 41.6 -0.4 21.7 166 59 B D >> - 0 0 115 -2,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.189 35.0-109.1 -59.5 149.9 38.6 -0.9 24.0 167 60 B E H 3> S+ 0 0 79 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.800 116.7 55.8 -52.1 -41.5 38.7 -4.2 26.1 168 61 B E H 3> S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.842 107.0 49.8 -63.2 -37.6 35.8 -5.8 24.2 169 62 B L H <> S+ 0 0 4 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.915 111.1 49.9 -68.8 -38.7 37.7 -5.3 20.8 170 63 B L H X S+ 0 0 14 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.878 108.2 53.5 -64.3 -41.3 40.8 -6.9 22.5 171 64 B H H X S+ 0 0 56 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.936 111.0 45.7 -55.9 -51.4 38.6 -9.8 23.7 172 65 B Y H X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.877 114.0 48.8 -60.2 -43.9 37.3 -10.5 20.1 173 66 B I H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.905 114.0 44.5 -65.7 -46.3 40.9 -10.2 18.6 174 67 B I H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.901 112.2 53.4 -65.2 -43.5 42.5 -12.6 21.2 175 68 B L H X S+ 0 0 4 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.919 103.5 57.6 -56.1 -46.8 39.5 -15.0 20.8 176 69 B H H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.925 113.2 38.5 -49.6 -53.0 40.0 -15.1 17.0 177 70 B E H X S+ 0 0 7 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.880 118.3 47.0 -67.4 -43.0 43.6 -16.3 17.4 178 71 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.790 107.1 56.9 -77.3 -23.7 43.1 -18.6 20.3 179 72 B I H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.931 106.4 51.6 -67.4 -42.9 40.0 -20.3 18.6 180 73 B H H X>S+ 0 0 14 -4,-1.6 5,-1.5 -5,-0.3 4,-0.9 0.924 111.5 47.5 -54.8 -46.7 42.3 -21.1 15.6 181 74 B F H <5S+ 0 0 1 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.902 113.3 47.9 -62.2 -44.5 44.8 -22.7 18.1 182 75 B K H <5S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.904 118.2 37.7 -62.6 -49.6 42.1 -24.7 19.9 183 76 B I H <5S- 0 0 20 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.463 102.9-129.4 -85.7 -3.3 40.3 -26.1 16.8 184 77 B K T <5 + 0 0 107 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.940 69.8 112.2 51.9 56.0 43.7 -26.6 14.9 185 78 B S < - 0 0 40 -5,-1.5 -2,-0.2 -6,-0.1 -1,-0.2 -0.945 60.7-152.6-155.9 138.7 42.4 -24.8 11.8 186 79 B I S S+ 0 0 121 -2,-0.3 2,-0.1 -3,-0.1 -6,-0.1 0.377 73.5 96.0 -88.9 -1.8 43.2 -21.5 10.0 187 80 B N - 0 0 106 -7,-0.1 -2,-0.1 1,-0.1 0, 0.0 -0.429 67.7-142.6 -93.9 166.8 39.7 -21.3 8.6 188 81 B H + 0 0 67 -2,-0.1 5,-0.1 4,-0.1 -1,-0.1 0.038 55.6 120.3-119.6 27.8 36.6 -19.4 10.0 189 82 B G S > S- 0 0 44 3,-0.1 4,-2.8 4,-0.1 5,-0.2 0.418 83.3 -51.5 -74.0-152.4 33.7 -21.8 9.2 190 83 B I H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.804 133.4 53.2 -61.6 -35.6 31.2 -23.5 11.5 191 84 B K H > S+ 0 0 143 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.922 115.3 42.0 -66.6 -41.4 33.8 -25.0 13.9 192 85 B F H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.941 115.1 50.3 -66.0 -50.9 35.3 -21.5 14.4 193 86 B E H X S+ 0 0 78 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.872 106.1 55.4 -56.5 -43.9 31.9 -19.8 14.6 194 87 B N H < S+ 0 0 90 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.853 109.7 46.7 -63.0 -35.1 30.6 -22.3 17.3 195 88 B E H >< S+ 0 0 39 -4,-1.2 3,-1.0 -3,-0.3 -1,-0.2 0.912 113.6 47.8 -70.2 -43.3 33.5 -21.5 19.6 196 89 B L H >X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 3,-2.2 0.854 101.8 64.7 -65.8 -35.9 33.1 -17.7 19.1 197 90 B R T 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.622 87.3 70.5 -65.5 -14.1 29.3 -18.0 19.8 198 91 B N T <4 S+ 0 0 125 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.589 116.7 22.5 -76.2 -8.5 30.1 -19.1 23.3 199 92 B Y T <4 S+ 0 0 73 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.705 130.1 25.0-122.3 -42.6 31.3 -15.5 23.9 200 93 B F < - 0 0 22 -4,-2.5 -1,-0.3 -28,-0.0 -2,-0.0 -0.996 66.8-133.9-137.0 134.7 29.5 -13.2 21.3 201 94 B S > - 0 0 50 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.180 39.1 -99.7 -72.6 171.2 26.3 -13.5 19.3 202 95 B K H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.933 127.1 48.8 -59.7 -44.1 26.2 -12.8 15.6 203 96 B N H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 110.5 50.2 -64.3 -40.0 24.8 -9.3 16.3 204 97 B E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 111.0 49.5 -65.6 -38.9 27.5 -8.6 19.0 205 98 B C H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.871 107.8 54.3 -66.2 -37.7 30.2 -9.7 16.4 206 99 B D H X S+ 0 0 47 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.916 111.3 45.2 -61.0 -44.9 28.6 -7.3 13.8 207 100 B E H X S+ 0 0 107 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.901 115.4 46.2 -65.2 -44.4 28.9 -4.4 16.3 208 101 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 112.2 51.2 -64.7 -45.4 32.5 -5.3 17.3 209 102 B E H X S+ 0 0 26 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.885 110.9 48.2 -62.3 -38.8 33.6 -5.8 13.6 210 103 B L H X S+ 0 0 39 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 111.2 51.1 -67.2 -39.5 32.1 -2.4 12.7 211 104 B K H X S+ 0 0 87 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.894 109.1 50.4 -65.0 -40.7 34.0 -0.8 15.7 212 105 B I H >X S+ 0 0 2 -4,-2.4 4,-1.1 2,-0.2 3,-0.5 0.925 111.6 48.3 -63.4 -45.5 37.3 -2.4 14.6 213 106 B I H >X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 3,-0.6 0.899 108.8 53.3 -60.7 -41.0 36.8 -1.0 11.0 214 107 B Q H 3< S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.728 107.5 52.3 -72.0 -17.3 36.0 2.5 12.3 215 108 B K H << S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.715 115.9 41.2 -82.8 -25.1 39.3 2.4 14.4 216 109 B L H << 0 0 9 -4,-1.1 -176,-2.5 -3,-0.6 -175,-1.7 0.789 360.0 360.0 -93.7 -35.9 41.3 1.5 11.2 217 110 B I < 0 0 19 -4,-2.5 -3,-0.2 -177,-0.2 -2,-0.1 0.512 360.0 360.0-129.0 360.0 39.7 3.7 8.5