==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-09 3JV1 . COMPND 2 MOLECULE: P22 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR M.SPREHE,L.K.READ,M.A.SCHUMACHER . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 23.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 17 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 1 0 1 2 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 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 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 46 A A > 0 0 104 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -62.3 -73.6 3.2 2.3 2 47 A V H > + 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.926 360.0 51.9 -64.4 -46.7 -73.7 1.8 -1.3 3 48 A S H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 110.9 49.3 -57.7 -39.7 -70.8 4.0 -2.5 4 49 A D H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 109.7 51.2 -68.9 -33.3 -68.7 2.7 0.5 5 50 A Q H X S+ 0 0 122 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.916 110.0 50.3 -69.3 -42.1 -69.7 -0.9 -0.4 6 51 A R H X S+ 0 0 177 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.905 111.8 46.9 -60.5 -44.9 -68.6 -0.3 -4.0 7 52 A L H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.861 111.1 52.9 -67.0 -35.6 -65.2 1.1 -2.8 8 53 A S H X S+ 0 0 25 -4,-1.9 4,-1.7 173,-0.2 -2,-0.2 0.937 113.6 42.5 -63.8 -47.1 -64.9 -1.8 -0.4 9 54 A E H X S+ 0 0 116 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.902 112.9 53.3 -66.1 -42.9 -65.5 -4.3 -3.2 10 55 A A H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.886 109.7 46.9 -61.9 -42.1 -63.3 -2.5 -5.7 11 56 A T H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.895 112.6 49.4 -69.1 -38.8 -60.2 -2.4 -3.4 12 57 A L H X S+ 0 0 78 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.934 110.6 51.2 -64.5 -44.3 -60.6 -6.0 -2.5 13 58 A R H X S+ 0 0 175 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 111.5 47.0 -58.5 -44.7 -60.8 -6.9 -6.2 14 59 A E H X S+ 0 0 40 -4,-2.1 4,-3.5 2,-0.2 5,-0.2 0.926 110.5 52.2 -65.1 -42.8 -57.7 -4.9 -7.0 15 60 A L H X S+ 0 0 13 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 113.2 44.9 -59.1 -44.4 -55.8 -6.5 -4.1 16 61 A E H < S+ 0 0 104 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.917 117.0 44.5 -66.7 -43.8 -56.7 -10.0 -5.4 17 62 A D H >X S+ 0 0 55 -4,-2.7 3,-2.0 -5,-0.2 4,-0.6 0.950 109.5 55.4 -65.6 -49.9 -55.9 -9.1 -9.0 18 63 A E H >< S+ 0 0 18 -4,-3.5 3,-2.0 1,-0.3 -1,-0.2 0.907 102.2 56.8 -47.7 -51.0 -52.6 -7.4 -8.2 19 64 A R T 3< S+ 0 0 148 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.655 107.3 50.4 -58.2 -17.0 -51.3 -10.4 -6.3 20 65 A Q T <4 S+ 0 0 155 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.488 88.4 104.7 -99.6 -6.3 -51.8 -12.5 -9.5 21 66 A R S X< S- 0 0 106 -3,-2.0 3,-0.5 -4,-0.6 2,-0.1 -0.523 70.8-123.3 -79.2 143.0 -50.0 -10.1 -11.8 22 67 A A T 3 S+ 0 0 104 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.364 86.5 57.3 -78.7 162.8 -46.6 -11.0 -13.1 23 68 A G T 3 + 0 0 74 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.456 61.2 161.0 96.0 0.5 -43.6 -8.7 -12.5 24 69 A L < - 0 0 73 -3,-0.5 -1,-0.3 -6,-0.1 140,-0.1 -0.409 44.3-118.5 -58.9 116.1 -43.9 -8.6 -8.7 25 70 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.190 22.0-129.5 -57.0 146.5 -40.4 -7.4 -7.6 26 71 A E - 0 0 174 -3,-0.1 138,-0.2 1,-0.0 137,-0.1 -0.725 31.6 -96.2 -97.3 150.2 -38.4 -9.7 -5.4 27 72 A K - 0 0 122 -2,-0.3 134,-0.1 137,-0.1 -1,-0.0 -0.550 39.7-134.4 -73.5 118.0 -36.8 -8.5 -2.2 28 73 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.300 18.1-113.9 -67.7 147.5 -33.2 -7.4 -2.6 29 74 A E - 0 0 184 1,-0.1 3,-0.1 -2,-0.0 132,-0.1 -0.716 37.8-112.3 -84.3 133.0 -30.5 -8.5 -0.1 30 75 A I - 0 0 68 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.479 37.4-100.3 -70.2 132.1 -29.1 -5.5 1.7 31 76 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.170 50.6 -85.5 -52.3 140.2 -25.5 -4.6 0.9 32 77 A E T 3 S+ 0 0 189 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.152 111.8 13.7 -50.1 132.1 -22.9 -5.8 3.5 33 78 A G T 3 S+ 0 0 59 1,-0.3 17,-0.4 -3,-0.1 2,-0.3 0.133 99.3 117.2 88.0 -21.7 -22.3 -3.4 6.4 34 79 A W < - 0 0 19 -3,-1.8 2,-0.3 15,-0.1 -1,-0.3 -0.605 47.8-159.6 -85.9 140.6 -25.4 -1.3 5.6 35 80 A T E -A 48 0A 80 13,-3.2 13,-2.0 -2,-0.3 2,-0.4 -0.814 13.8-144.9-109.4 153.1 -28.3 -1.0 8.0 36 81 A I E -A 47 0A 53 -2,-0.3 2,-0.8 11,-0.2 11,-0.2 -0.983 13.2-160.7-130.9 134.7 -31.7 0.1 6.7 37 82 A D E +A 46 0A 63 9,-3.4 9,-1.8 -2,-0.4 2,-0.4 -0.841 38.4 141.4-110.6 89.7 -34.4 2.2 8.2 38 83 A R - 0 0 51 -2,-0.8 5,-0.1 7,-0.2 -2,-0.1 -0.996 24.3-176.0-136.2 128.8 -37.6 1.4 6.2 39 84 A K > - 0 0 114 -2,-0.4 3,-2.4 3,-0.2 -2,-0.0 -0.941 41.2 -89.6-123.4 146.0 -41.1 1.0 7.5 40 85 A P T 3 S+ 0 0 90 0, 0.0 3,-0.1 0, 0.0 125,-0.0 -0.239 115.7 21.6 -51.6 135.1 -44.3 -0.0 5.6 41 86 A G T 3 S+ 0 0 50 124,-0.2 2,-0.6 1,-0.2 125,-0.0 0.350 98.9 106.1 87.7 -9.0 -46.0 3.1 4.2 42 87 A V < + 0 0 59 -3,-2.4 -3,-0.2 1,-0.2 -1,-0.2 -0.926 42.2 178.7-108.2 112.0 -42.8 5.2 4.4 43 88 A T + 0 0 77 -2,-0.6 2,-1.5 1,-0.2 -1,-0.2 0.861 68.6 66.3 -82.0 -37.0 -41.3 5.7 0.9 44 89 A H S S+ 0 0 76 17,-0.1 -1,-0.2 15,-0.1 2,-0.1 -0.588 72.9 172.3 -89.4 81.2 -38.3 7.9 1.8 45 90 A F - 0 0 2 -2,-1.5 15,-2.2 -3,-0.1 2,-0.4 -0.270 22.7-133.3 -83.4 170.4 -36.2 5.4 3.8 46 91 A T E -AB 37 59A 18 -9,-1.8 -9,-3.4 13,-0.2 2,-0.4 -0.949 10.5-159.2-127.4 147.7 -32.6 5.9 5.2 47 92 A M E -AB 36 58A 0 11,-2.9 11,-3.6 -2,-0.4 2,-0.3 -0.950 11.7-174.4-124.1 146.0 -29.6 3.7 5.1 48 93 A R E +AB 35 57A 76 -13,-2.0 -13,-3.2 -2,-0.4 2,-0.3 -0.986 10.7 164.2-142.0 150.9 -26.5 3.8 7.3 49 94 A K E - B 0 56A 39 7,-1.8 7,-3.4 -2,-0.3 2,-0.2 -0.970 31.6-118.8-159.0 151.6 -23.1 2.2 7.7 50 95 A S E - B 0 55A 92 -17,-0.4 5,-0.2 -2,-0.3 2,-0.2 -0.650 15.0-169.3 -95.2 155.1 -19.9 3.0 9.6 51 96 A H E > - B 0 54A 61 3,-2.9 3,-1.9 1,-0.3 2,-0.3 -0.674 64.5 -70.6-140.4 76.3 -16.6 3.6 7.9 52 97 A G T 3 S- 0 0 69 1,-0.3 -1,-0.3 -2,-0.2 0, 0.0 -0.556 118.8 -8.4 69.8-127.0 -14.1 3.6 10.7 53 98 A D T 3 S+ 0 0 148 -2,-0.3 -1,-0.3 -3,-0.1 28,-0.3 0.634 126.5 81.4 -77.7 -13.2 -14.7 6.8 12.6 54 99 A E E < -B 51 0A 27 -3,-1.9 -3,-2.9 26,-0.1 2,-0.4 -0.553 66.8-146.3 -93.3 159.2 -17.1 8.1 10.0 55 100 A E E -BC 50 79A 81 24,-1.9 24,-2.6 -5,-0.2 2,-0.5 -0.973 9.7-150.5-120.5 137.3 -20.8 7.3 9.5 56 101 A I E -BC 49 78A 0 -7,-3.4 -7,-1.8 -2,-0.4 2,-0.4 -0.950 14.7-168.4-110.6 125.5 -22.2 7.2 6.0 57 102 A I E -BC 48 77A 6 20,-2.7 20,-3.0 -2,-0.5 2,-0.5 -0.963 10.1-165.1-122.2 130.3 -25.9 8.1 5.8 58 103 A L E +BC 47 76A 0 -11,-3.6 -11,-2.9 -2,-0.4 2,-0.5 -0.960 11.3 178.3-112.7 118.1 -28.2 7.6 2.8 59 104 A Q E -BC 46 75A 28 16,-2.5 16,-2.5 -2,-0.5 -13,-0.2 -0.966 24.3-136.9-124.7 115.1 -31.5 9.5 2.9 60 105 A L E - C 0 74A 10 -15,-2.2 14,-0.3 -2,-0.5 3,-0.1 -0.477 21.2-178.1 -66.4 137.5 -33.9 9.3 -0.1 61 106 A T E - 0 0 64 12,-3.0 2,-0.3 1,-0.3 13,-0.2 0.457 47.9 -65.6-118.1 -5.1 -35.3 12.8 -0.8 62 107 A G E - C 0 73A 9 11,-1.3 11,-3.0 -19,-0.1 2,-0.4 -0.942 39.4 -88.1 152.6-174.9 -37.7 12.2 -3.6 63 108 A E E - C 0 72A 98 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.977 49.5-163.3-132.0 140.6 -38.5 11.2 -7.2 64 109 A D + 0 0 64 7,-1.9 7,-0.5 -2,-0.4 -2,-0.0 -0.838 25.5 10.7-138.9 172.7 -38.5 13.8 -9.9 65 110 A R S S- 0 0 202 -2,-0.3 6,-0.2 5,-0.1 -1,-0.1 0.719 83.6 -70.8 44.6 144.4 -39.3 15.3 -13.3 66 111 A S S S+ 0 0 121 4,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.348 74.4 166.1 -54.8 140.1 -41.7 13.8 -15.9 67 112 A N - 0 0 64 1,-0.1 3,-0.1 3,-0.0 -1,-0.0 -0.945 55.8-151.8-167.9 142.3 -39.8 10.8 -17.1 68 113 A E S S+ 0 0 196 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.844 102.2 52.4 -77.1 -35.7 -40.0 7.5 -19.0 69 114 A E S S- 0 0 92 -3,-0.1 2,-0.4 24,-0.0 -1,-0.1 -0.885 96.1-121.3-103.6 129.1 -37.2 6.3 -16.7 70 115 A I - 0 0 88 -2,-0.5 2,-0.5 -3,-0.1 23,-0.4 -0.558 29.2-169.0 -73.4 120.3 -37.7 6.7 -12.9 71 116 A T - 0 0 13 -7,-0.5 -7,-1.9 -2,-0.4 2,-0.3 -0.949 2.8-159.6-115.2 127.4 -35.0 8.9 -11.3 72 117 A R E -CD 63 91A 16 19,-1.1 19,-2.4 -2,-0.5 2,-0.4 -0.794 5.6-145.2-106.5 146.9 -34.7 9.1 -7.5 73 118 A T E +CD 62 90A 31 -11,-3.0 -12,-3.0 -2,-0.3 -11,-1.3 -0.857 25.7 160.8-109.4 145.6 -33.0 11.8 -5.5 74 119 A L E -CD 60 89A 0 15,-2.8 15,-2.9 -2,-0.4 2,-0.4 -0.983 32.2-125.9-157.0 159.7 -31.1 11.2 -2.3 75 120 A D E -CD 59 88A 51 -16,-2.5 -16,-2.5 -2,-0.3 2,-0.5 -0.906 15.0-157.6-110.7 140.7 -28.5 12.8 -0.0 76 121 A V E -CD 58 87A 0 11,-2.3 11,-3.1 -2,-0.4 2,-0.4 -0.977 12.5-166.9-119.1 116.6 -25.4 11.0 1.0 77 122 A L E -CD 57 86A 3 -20,-3.0 -20,-2.7 -2,-0.5 2,-0.6 -0.885 12.3-165.1-108.4 137.0 -23.8 12.3 4.2 78 123 A V E -CD 56 85A 7 7,-2.3 7,-2.3 -2,-0.4 2,-0.4 -0.969 19.2-168.8-118.5 108.8 -20.3 11.5 5.4 79 124 A V E +CD 55 84A 19 -24,-2.6 -24,-1.9 -2,-0.6 2,-0.3 -0.879 18.9 146.4-108.8 132.0 -20.1 12.5 9.1 80 125 A N E > + D 0 83A 80 3,-2.3 3,-1.5 -2,-0.4 -26,-0.1 -0.946 65.1 3.4-162.3 135.1 -16.9 12.7 11.1 81 126 A G T 3 S- 0 0 71 -2,-0.3 3,-0.1 -28,-0.3 26,-0.1 0.813 127.5 -55.7 58.5 33.9 -15.6 14.9 13.9 82 127 A G T 3 S+ 0 0 52 1,-0.3 25,-2.8 24,-0.1 26,-0.4 0.578 120.4 94.8 77.9 8.4 -18.9 16.9 14.2 83 128 A K E < -D 80 0A 90 -3,-1.5 -3,-2.3 23,-0.2 2,-0.4 -0.853 56.7-150.5-127.8 164.2 -18.8 17.9 10.5 84 129 A A E -DE 79 104A 1 20,-2.5 20,-3.3 -2,-0.3 2,-0.6 -0.997 15.3-149.5-143.8 143.5 -20.3 16.5 7.3 85 130 A L E -DE 78 103A 29 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.6 -0.943 29.4-159.7-102.9 120.7 -19.7 16.3 3.6 86 131 A V E -DE 77 102A 18 16,-2.9 16,-3.0 -2,-0.6 2,-0.6 -0.923 7.6-162.8-114.9 115.8 -23.1 16.2 2.0 87 132 A F E -DE 76 101A 0 -11,-3.1 -11,-2.3 -2,-0.6 2,-0.7 -0.839 8.4-152.0 -97.8 119.3 -23.6 14.9 -1.6 88 133 A G E +DE 75 100A 12 12,-2.4 11,-3.1 -2,-0.6 12,-2.0 -0.822 37.5 161.5 -88.8 116.2 -26.8 15.8 -3.3 89 134 A M E -DE 74 98A 3 -15,-2.9 -15,-2.8 -2,-0.7 2,-0.3 -0.823 33.0-155.5-135.9 173.6 -27.4 12.9 -5.7 90 135 A S E -DE 73 97A 7 7,-1.6 7,-2.4 -17,-0.3 2,-0.6 -0.988 23.0-124.0-147.0 148.8 -29.8 11.0 -7.9 91 136 A V E +DE 72 96A 0 -19,-2.4 -19,-1.1 -2,-0.3 2,-0.5 -0.878 28.9 177.3 -99.5 117.4 -29.9 7.5 -9.2 92 137 A E E > S- E 0 95A 71 3,-2.4 3,-0.8 -2,-0.6 -21,-0.1 -0.952 70.0 -24.8-124.6 108.2 -30.2 7.3 -13.0 93 138 A D T 3 S- 0 0 137 -2,-0.5 -1,-0.2 -23,-0.4 63,-0.1 0.963 125.8 -44.7 54.3 64.4 -30.1 3.8 -14.5 94 139 A G T 3 S+ 0 0 12 61,-0.2 62,-0.4 1,-0.2 2,-0.3 0.506 119.6 102.6 64.8 4.2 -28.3 2.0 -11.7 95 140 A E E < S-E 92 0A 107 -3,-0.8 -3,-2.4 60,-0.2 2,-0.4 -0.914 70.3-122.0-123.0 150.4 -25.7 4.7 -11.4 96 141 A F E -E 91 0A 34 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.706 23.1-163.9 -87.2 133.3 -25.1 7.5 -8.9 97 142 A V E -E 90 0A 48 -7,-2.4 -7,-1.6 -2,-0.4 2,-0.6 -0.979 14.2-138.6-118.6 124.4 -25.0 11.0 -10.4 98 143 A I E +E 89 0A 30 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.732 29.5 166.1 -84.0 123.3 -23.5 13.8 -8.2 99 144 A N E + 0 0 66 -11,-3.1 31,-0.5 -2,-0.6 2,-0.3 0.758 66.0 7.9-103.4 -35.4 -25.6 16.9 -8.5 100 145 A N E -E 88 0A 62 -12,-2.0 -12,-2.4 29,-0.1 2,-0.4 -0.982 52.6-159.0-147.0 154.2 -24.2 18.9 -5.6 101 146 A V E +E 87 0A 14 25,-0.5 2,-0.3 27,-0.3 -14,-0.2 -0.955 22.3 174.6-137.2 112.8 -21.4 18.7 -3.0 102 147 A C E -E 86 0A 8 -16,-3.0 -16,-2.9 -2,-0.4 2,-0.4 -0.834 21.3-143.8-117.8 156.9 -21.9 20.7 0.2 103 148 A F E -E 85 0A 97 -2,-0.3 2,-0.6 22,-0.3 -18,-0.2 -0.985 11.0-162.6-121.7 131.9 -19.8 21.0 3.3 104 149 A R E -E 84 0A 24 -20,-3.3 -20,-2.5 -2,-0.4 3,-0.1 -0.939 13.1-173.4-119.1 112.5 -21.5 21.4 6.7 105 150 A H S S+ 0 0 130 -2,-0.6 2,-1.4 1,-0.2 3,-0.2 0.870 84.7 64.1 -67.1 -36.2 -19.4 22.6 9.6 106 151 A D > + 0 0 86 1,-0.2 4,-2.3 -23,-0.1 3,-0.4 -0.685 66.0 176.8 -91.1 84.7 -22.4 22.0 11.9 107 152 A G H > S+ 0 0 2 -25,-2.8 4,-2.3 -2,-1.4 -1,-0.2 0.833 78.0 59.1 -56.7 -35.7 -22.7 18.2 11.5 108 153 A K H > S+ 0 0 174 -26,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.911 108.2 44.8 -61.6 -42.4 -25.5 18.2 14.0 109 154 A L H 4 S+ 0 0 28 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.905 109.7 56.6 -67.3 -39.5 -27.5 20.5 11.8 110 155 A A H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 110.9 43.3 -58.4 -39.3 -26.5 18.4 8.8 111 156 A L H < S+ 0 0 66 -4,-2.3 -1,-0.2 -5,-0.1 2,-0.2 0.763 90.6 101.0 -77.9 -27.6 -28.1 15.4 10.5 112 157 A D < - 0 0 71 -4,-1.6 -3,-0.0 -5,-0.2 -4,-0.0 -0.425 48.2-176.4 -62.3 123.7 -31.2 17.2 11.7 113 158 A T + 0 0 84 -2,-0.2 -1,-0.1 4,-0.1 -4,-0.1 0.263 36.7 125.7-107.4 12.2 -34.0 16.4 9.3 114 159 A S S > S- 0 0 50 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.203 74.6-111.9 -65.7 162.5 -36.7 18.6 10.8 115 160 A A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.901 121.1 51.9 -62.3 -38.1 -38.5 21.1 8.6 116 161 A E H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 107.9 50.4 -64.6 -42.0 -36.8 23.9 10.5 117 162 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 108.3 53.8 -63.7 -40.0 -33.4 22.3 10.0 118 163 A Q H X S+ 0 0 91 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.910 107.8 49.7 -60.6 -43.5 -34.1 22.0 6.3 119 164 A F H < S+ 0 0 114 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.917 109.8 50.3 -63.4 -42.8 -34.9 25.7 6.0 120 165 A Q H >< S+ 0 0 82 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.913 111.7 47.9 -62.0 -42.6 -31.7 26.7 7.8 121 166 A K H >< S+ 0 0 34 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.760 99.0 68.9 -70.3 -23.0 -29.6 24.6 5.6 122 167 A S T 3< S+ 0 0 75 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.670 96.6 55.2 -69.7 -14.4 -31.3 26.0 2.5 123 168 A Q T < S+ 0 0 140 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.463 92.7 95.1 -95.2 -3.4 -29.7 29.3 3.2 124 169 A L S < S- 0 0 70 -3,-1.4 -20,-0.0 -4,-0.2 -3,-0.0 -0.441 92.6 -78.7 -88.2 162.6 -26.1 27.8 3.2 125 170 A Y - 0 0 173 1,-0.1 -22,-0.3 -2,-0.1 -1,-0.1 -0.350 36.4-156.6 -58.0 132.6 -23.6 27.7 0.4 126 171 A M - 0 0 85 1,-0.3 -25,-0.5 -24,-0.1 -1,-0.1 0.180 38.9-112.4-100.3 16.5 -24.6 24.8 -1.9 127 172 A G - 0 0 16 -27,-0.1 -1,-0.3 -24,-0.1 -25,-0.1 -0.049 50.2 -47.6 76.6 174.5 -21.1 24.3 -3.3 128 173 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -27,-0.3 -0.304 63.0 -91.5 -78.8 164.5 -20.1 25.0 -6.9 129 174 A D > - 0 0 101 1,-0.2 3,-3.0 -29,-0.1 4,-0.1 -0.641 36.1-132.2 -72.7 123.7 -21.9 23.9 -10.1 130 175 A L G > S+ 0 0 28 -31,-0.5 3,-1.6 -2,-0.4 -1,-0.2 0.781 104.3 67.8 -50.8 -28.0 -20.3 20.5 -10.9 131 176 A A G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.636 92.6 58.8 -68.6 -15.0 -20.0 21.7 -14.5 132 177 A D G < S+ 0 0 128 -3,-3.0 2,-0.4 2,-0.1 -1,-0.3 0.269 91.8 89.9 -97.6 12.8 -17.4 24.3 -13.4 133 178 A L S < S- 0 0 40 -3,-1.6 2,-0.0 -4,-0.1 -3,-0.0 -0.897 75.8-123.0-113.6 139.1 -15.1 21.6 -12.0 134 179 A E >> - 0 0 141 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.329 30.6-107.3 -72.7 158.2 -12.3 19.8 -13.8 135 180 A D H 3> S+ 0 0 119 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.854 114.3 64.6 -55.3 -39.5 -12.3 16.0 -14.0 136 181 A H H 3> S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.877 110.3 38.8 -55.2 -36.0 -9.5 15.6 -11.6 137 182 A L H <> S+ 0 0 62 -3,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.953 118.2 46.1 -77.3 -53.0 -11.6 17.0 -8.8 138 183 A V H X S+ 0 0 32 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 113.2 50.4 -56.6 -43.3 -14.9 15.4 -9.8 139 184 A D H X S+ 0 0 82 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.854 106.8 54.8 -66.0 -34.4 -13.3 12.0 -10.3 140 185 A S H X S+ 0 0 71 -4,-1.0 4,-2.0 -5,-0.4 -1,-0.2 0.892 107.7 50.1 -65.8 -38.1 -11.7 12.3 -6.9 141 186 A F H X S+ 0 0 46 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 111.2 48.2 -63.8 -45.9 -15.1 12.9 -5.4 142 187 A T H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 112.3 48.7 -62.1 -41.1 -16.5 9.8 -7.2 143 188 A S H X S+ 0 0 76 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.862 108.5 54.7 -65.5 -37.5 -13.6 7.6 -6.0 144 189 A Y H < S+ 0 0 69 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.914 111.7 44.0 -61.5 -44.1 -14.0 8.9 -2.5 145 190 A L H ><>S+ 0 0 6 -4,-2.1 5,-2.3 1,-0.2 3,-0.9 0.895 111.8 53.4 -69.0 -39.4 -17.7 7.8 -2.5 146 191 A S H ><5S+ 0 0 60 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.884 101.2 58.6 -64.2 -38.4 -16.8 4.5 -4.2 147 192 A A T 3<5S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.700 106.9 51.2 -64.1 -17.0 -14.2 3.6 -1.5 148 193 A R T < 5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.226 126.2 -98.6-104.0 13.2 -17.1 3.9 1.0 149 194 A G T < 5S+ 0 0 19 -3,-2.0 2,-1.8 1,-0.2 5,-0.4 0.410 83.4 130.6 88.4 -4.6 -19.5 1.6 -0.9 150 195 A V < + 0 0 8 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.2 -0.624 44.4 117.5 -85.6 84.2 -21.5 4.3 -2.6 151 196 A N S > S- 0 0 50 -2,-1.8 4,-2.4 -5,-0.1 5,-0.2 -0.593 84.7 -71.4-133.2-168.8 -21.2 2.7 -6.1 152 197 A D H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.794 126.6 59.8 -63.1 -29.5 -23.3 1.2 -8.8 153 198 A T H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 109.9 41.1 -64.4 -46.0 -24.0 -1.8 -6.7 154 199 A L H > S+ 0 0 2 -5,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.896 114.4 51.6 -68.6 -41.3 -25.6 0.4 -4.0 155 200 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -61,-0.2 0.903 110.6 50.5 -61.3 -39.3 -27.4 2.5 -6.6 156 201 A N H X S+ 0 0 73 -4,-2.5 4,-2.1 -62,-0.4 -1,-0.2 0.877 108.5 51.4 -65.8 -39.6 -28.6 -0.7 -8.1 157 202 A F H X S+ 0 0 8 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.864 105.5 56.8 -65.7 -37.2 -29.9 -1.9 -4.7 158 203 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.892 109.1 44.2 -62.1 -42.2 -31.7 1.4 -4.2 159 204 A D H X S+ 0 0 29 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.952 116.8 46.5 -67.0 -50.5 -33.8 1.0 -7.4 160 205 A Q H X S+ 0 0 96 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.920 114.9 45.8 -57.9 -47.4 -34.5 -2.7 -6.6 161 206 A F H X S+ 0 0 9 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.905 111.4 53.0 -64.7 -40.2 -35.4 -2.0 -3.0 162 207 A S H X S+ 0 0 14 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.886 109.1 48.9 -61.7 -40.8 -37.6 0.9 -3.9 163 208 A L H X S+ 0 0 69 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.925 112.7 47.8 -65.3 -44.6 -39.6 -1.1 -6.5 164 209 A W H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 115.4 43.5 -63.7 -44.0 -40.1 -3.9 -4.0 165 210 A S H X S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 -124,-0.2 0.835 110.3 56.0 -73.1 -30.5 -41.3 -1.6 -1.2 166 211 A E H X S+ 0 0 115 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.933 109.1 48.2 -63.2 -43.1 -43.4 0.5 -3.6 167 212 A Q H X S+ 0 0 32 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.896 113.5 46.6 -62.8 -43.0 -45.2 -2.8 -4.5 168 213 A A H X S+ 0 0 32 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.903 112.1 50.5 -67.1 -41.6 -45.6 -3.7 -0.8 169 214 A D H X S+ 0 0 27 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.873 107.8 54.7 -64.2 -36.3 -46.8 -0.2 0.0 170 215 A Y H X S+ 0 0 72 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.907 110.1 44.4 -63.8 -44.1 -49.3 -0.4 -2.8 171 216 A E H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.854 113.9 49.3 -69.7 -35.2 -50.9 -3.6 -1.5 172 217 A E H X S+ 0 0 93 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.857 108.9 55.5 -70.5 -33.1 -50.9 -2.3 2.1 173 218 A W H X S+ 0 0 134 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.956 109.0 45.6 -61.5 -52.2 -52.6 0.8 0.6 174 219 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.925 115.3 47.6 -57.1 -48.4 -55.4 -1.2 -1.0 175 220 A S H X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.891 111.6 48.1 -62.7 -44.7 -55.9 -3.3 2.2 176 221 A S H X S+ 0 0 45 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.870 112.6 48.5 -68.6 -34.2 -55.9 -0.3 4.6 177 222 A I H X S+ 0 0 44 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.6 52.6 -70.8 -37.5 -58.4 1.6 2.4 178 223 A N H X S+ 0 0 33 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.937 112.1 44.2 -60.2 -49.0 -60.6 -1.6 2.2 179 224 A K H >< S+ 0 0 138 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.910 113.4 52.5 -62.7 -42.0 -60.6 -1.9 6.0 180 225 A F H 3< S+ 0 0 179 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 110.6 45.3 -60.1 -47.0 -61.3 1.8 6.4 181 226 A V H 3< 0 0 29 -4,-2.6 -1,-0.2 -5,-0.1 -173,-0.2 0.553 360.0 360.0 -76.3 -7.1 -64.3 1.8 4.1 182 227 A S << 0 0 115 -3,-0.7 -3,-0.0 -4,-0.6 -177,-0.0 -0.380 360.0 360.0-108.4 360.0 -65.6 -1.3 5.8