==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-APR-04 1VYD . COMPND 2 MOLECULE: CYTOCHROME C2; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER CAPSULATUS; . AUTHOR C.DUMORTIER,J.FITCH,F.VAN PETEGEM,W.VERMEULEN,T.E.MEYER, . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 61.6 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 . 12 5.2 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 0.9 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 . 16 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 1 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 73 0, 0.0 2,-0.7 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0-164.9 7.2 31.7 -4.8 2 2 A D > - 0 0 80 1,-0.1 4,-2.1 2,-0.0 108,-0.2 -0.836 360.0-170.9-103.5 115.7 6.0 32.7 -8.2 3 3 A A H > S+ 0 0 30 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.818 85.1 53.9 -67.9 -45.2 7.8 35.6 -9.9 4 4 A A H > S+ 0 0 63 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.926 113.9 42.2 -62.9 -38.9 5.5 36.1 -12.8 5 5 A K H >> S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.882 110.8 56.6 -72.4 -37.1 2.5 36.5 -10.5 6 6 A G H 3X S+ 0 0 0 -4,-2.1 4,-1.5 100,-0.4 -2,-0.2 0.884 99.7 60.7 -62.0 -31.9 4.5 38.7 -8.1 7 7 A E H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.843 108.0 43.2 -59.8 -41.5 5.2 41.0 -11.0 8 8 A K H X< S+ 0 0 151 -4,-0.7 3,-1.2 -3,-0.6 -2,-0.2 0.869 111.2 55.3 -74.7 -30.3 1.4 41.6 -11.4 9 9 A E H >< S+ 0 0 18 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.708 87.1 79.4 -74.2 -21.6 1.0 41.9 -7.5 10 10 A F G >X + 0 0 6 -4,-1.5 3,-2.9 1,-0.3 4,-2.1 0.596 67.2 89.2 -62.5 -9.8 3.7 44.7 -7.5 11 11 A N G <4 S+ 0 0 100 -3,-1.2 -1,-0.3 1,-0.3 4,-0.2 0.706 85.2 55.0 -61.0 -17.5 0.8 47.0 -8.6 12 12 A K G <4 S+ 0 0 73 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.1 0.070 110.9 44.1 -86.3 -5.7 0.2 47.5 -4.8 13 13 A C T X> S+ 0 0 24 -3,-2.9 4,-2.5 4,-0.1 3,-2.1 0.543 94.8 74.3-105.5 -27.0 3.9 48.6 -4.3 14 14 A K T 3< S+ 0 0 108 -4,-2.1 17,-2.0 1,-0.3 -3,-0.1 0.670 77.6 76.4 -67.8 -13.2 4.4 51.0 -7.1 15 15 A T T 34 S+ 0 0 103 -4,-0.2 -1,-0.3 15,-0.2 18,-0.2 0.637 120.9 10.0 -68.2 -22.4 2.3 53.7 -5.5 16 16 A C T <4 S+ 0 0 52 -3,-2.1 18,-3.0 1,-0.2 2,-0.4 0.546 125.1 58.8-125.8 -22.1 5.3 54.4 -3.2 17 17 A H < - 0 0 28 -4,-2.5 14,-0.4 16,-0.2 -1,-0.2 -0.894 52.4-165.6-112.2 153.6 8.2 52.4 -4.7 18 18 A S - 0 0 3 -2,-0.4 19,-2.6 16,-0.3 2,-0.5 -0.613 19.0-136.0-119.0 173.0 10.1 52.1 -7.9 19 19 A I E +A 28 0A 0 9,-2.5 9,-1.9 17,-0.2 8,-1.7 -0.927 33.7 169.8-133.7 94.7 12.6 49.5 -9.2 20 20 A I E -A 26 0A 37 -2,-0.5 6,-0.2 6,-0.2 18,-0.1 -0.974 25.5-137.8-116.0 122.1 15.6 51.2 -10.7 21 21 A A > - 0 0 13 4,-2.5 3,-2.7 -2,-0.5 94,-0.0 -0.303 32.8-103.0 -70.7 161.7 18.8 49.5 -11.8 22 22 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.762 121.5 55.1 -60.8 -28.9 22.2 51.1 -11.0 23 23 A D T 3 S- 0 0 130 2,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.407 125.6-100.1 -81.2 4.6 22.6 52.4 -14.7 24 24 A G S < S+ 0 0 44 -3,-2.7 2,-0.1 1,-0.3 -1,-0.1 0.346 70.3 152.2 99.0 -12.2 19.2 54.2 -14.4 25 25 A T - 0 0 76 1,-0.1 -4,-2.5 -5,-0.1 2,-1.1 -0.385 42.1-138.5 -60.2 126.2 17.1 51.5 -16.3 26 26 A E E +A 20 0A 103 -6,-0.2 3,-0.3 1,-0.2 -6,-0.2 -0.753 29.4 172.3 -87.5 94.3 13.6 51.9 -14.9 27 27 A I E S+ 0 0 70 -8,-1.7 2,-0.5 -2,-1.1 -1,-0.2 0.943 82.8 13.4 -72.0 -40.6 12.3 48.3 -14.4 28 28 A V E S-A 19 0A 25 -9,-1.9 -9,-2.5 -3,-0.2 2,-0.7 -0.966 74.9-152.1-130.3 122.7 9.2 49.6 -12.6 29 29 A K + 0 0 146 -2,-0.5 2,-0.2 -3,-0.3 -12,-0.1 -0.799 42.9 137.5 -87.9 107.3 8.5 53.4 -12.8 30 30 A G - 0 0 18 -2,-0.7 -12,-0.2 1,-0.2 -15,-0.2 -0.639 53.7 -57.8-125.8-146.1 6.6 54.0 -9.5 31 31 A A - 0 0 33 -17,-2.0 -1,-0.2 -14,-0.4 -15,-0.2 -0.217 33.2-133.7 -95.8-178.6 6.7 56.7 -6.9 32 32 A K S S+ 0 0 134 -15,-0.2 -15,-0.1 -17,-0.2 -16,-0.1 0.200 77.5 96.9-124.8 28.0 9.6 57.9 -4.7 33 33 A T S S+ 0 0 104 -17,-0.3 -16,-0.2 -18,-0.2 -1,-0.1 0.729 89.4 43.3 -99.8 -6.4 8.1 58.1 -1.2 34 34 A G S S- 0 0 13 -18,-3.0 -16,-0.3 -3,-0.1 3,-0.1 -0.811 104.6 -89.9-115.0 164.9 9.5 54.6 -0.4 35 35 A P - 0 0 18 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.254 48.2 -81.1 -74.1 159.7 13.0 53.6 -1.3 36 36 A N - 0 0 23 -19,-0.1 -17,-0.2 1,-0.1 -4,-0.0 -0.395 35.3-160.2 -50.4 136.3 14.2 51.9 -4.5 37 37 A L > + 0 0 22 -19,-2.6 3,-1.8 -2,-0.1 4,-0.3 0.539 51.3 118.8-108.9 6.2 13.5 48.1 -4.2 38 38 A Y T 3 S+ 0 0 53 1,-0.3 74,-0.1 -20,-0.3 -18,-0.1 -0.379 91.3 6.0 -61.5 129.1 16.0 46.9 -6.9 39 39 A G T 3 S+ 0 0 29 72,-0.4 -1,-0.3 -2,-0.1 73,-0.1 0.602 87.7 132.8 68.7 19.8 18.5 44.7 -5.1 40 40 A V X + 0 0 9 -3,-1.8 3,-1.5 71,-0.1 2,-0.6 0.798 47.0 90.3 -77.8 -21.7 16.6 44.7 -1.8 41 41 A V T 3 S+ 0 0 49 -4,-0.3 27,-0.2 1,-0.3 3,-0.1 -0.632 104.4 10.0 -69.5 113.3 16.9 40.9 -1.5 42 42 A G T 3 S+ 0 0 56 25,-3.2 2,-0.3 -2,-0.6 -1,-0.3 0.433 102.1 125.6 98.1 -2.0 20.1 40.4 0.5 43 43 A R < - 0 0 41 -3,-1.5 24,-2.0 24,-0.3 -1,-0.3 -0.711 69.9-102.8 -97.4 144.6 20.5 44.1 1.3 44 44 A T B > -B 66 0B 55 -2,-0.3 3,-0.9 22,-0.3 22,-0.3 -0.504 48.2-101.2 -61.1 133.8 20.9 45.4 4.9 45 45 A A T 3 S+ 0 0 0 20,-2.3 -1,-0.1 1,-0.3 19,-0.1 -0.182 97.5 6.2 -57.1 135.6 17.6 46.8 6.2 46 46 A G T 3 S+ 0 0 12 1,-0.1 -1,-0.3 15,-0.1 7,-0.2 0.765 96.0 104.9 61.9 47.5 17.3 50.6 6.2 47 47 A T < + 0 0 76 -3,-0.9 -2,-0.1 2,-0.1 -1,-0.1 0.307 31.8 131.9-135.3 -3.5 20.6 51.6 4.4 48 48 A Y > - 0 0 77 -4,-0.2 3,-0.7 1,-0.1 -8,-0.0 -0.411 67.5-103.8 -52.4 121.7 19.6 52.6 0.8 49 49 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 -0.262 93.1 11.5 -55.6 144.7 21.4 55.9 0.3 50 50 A E T 3 S+ 0 0 159 128,-0.3 2,-0.4 1,-0.2 129,-0.1 0.802 95.8 114.2 59.2 35.4 19.6 59.3 0.4 51 51 A F < - 0 0 52 -3,-0.7 2,-0.8 -5,-0.1 -1,-0.2 -0.994 61.6-138.1-129.3 129.5 16.3 58.0 2.0 52 52 A K - 0 0 147 -2,-0.4 2,-0.2 -3,-0.1 124,-0.1 -0.828 27.1-171.5 -94.6 99.2 15.2 59.0 5.5 53 53 A Y - 0 0 47 -2,-0.8 2,-0.1 -7,-0.2 126,-0.1 -0.552 30.6-100.5 -82.1 158.6 13.9 55.8 7.2 54 54 A K > - 0 0 64 -2,-0.2 4,-1.2 1,-0.1 3,-0.5 -0.471 44.5-104.1 -68.8 156.7 12.1 55.8 10.5 55 55 A D H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.791 109.4 60.4 -63.6 -34.2 14.4 54.7 13.3 56 56 A S H > S+ 0 0 9 37,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.882 103.4 48.7 -62.9 -44.7 13.3 51.1 13.9 57 57 A I H > S+ 0 0 18 -3,-0.5 4,-2.0 36,-0.3 -1,-0.2 0.867 112.3 51.8 -65.4 -33.7 14.0 49.7 10.5 58 58 A V H X S+ 0 0 28 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.948 108.7 48.7 -66.4 -41.5 17.5 51.4 10.8 59 59 A A H X S+ 0 0 24 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.888 107.7 58.4 -63.0 -34.3 18.2 49.7 14.2 60 60 A L H <>S+ 0 0 3 -4,-2.0 5,-1.0 -5,-0.3 3,-0.4 0.972 110.3 40.0 -63.9 -42.1 17.0 46.5 12.5 61 61 A G H ><5S+ 0 0 4 -4,-2.0 3,-2.0 1,-0.2 106,-0.4 0.851 107.6 64.1 -77.3 -24.8 19.8 46.8 9.9 62 62 A A H 3<5S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 97.9 57.4 -67.0 -23.1 22.2 48.0 12.5 63 63 A S T 3<5S- 0 0 70 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.222 128.9 -90.9 -85.7 10.7 21.9 44.6 14.2 64 64 A G T < 5S+ 0 0 38 -3,-2.0 2,-0.2 1,-0.2 -3,-0.1 0.071 74.3 149.1 108.9 -20.4 23.1 42.6 11.1 65 65 A F < + 0 0 32 -5,-1.0 -20,-2.3 -21,-0.1 2,-0.4 -0.234 18.8 178.5 -63.9 126.2 19.7 42.0 9.4 66 66 A A B -B 44 0B 37 -22,-0.3 -22,-0.3 -2,-0.2 2,-0.2 -0.941 35.1-103.8-120.4 138.1 19.6 41.7 5.6 67 67 A W - 0 0 16 -24,-2.0 -25,-3.2 -2,-0.4 -24,-0.3 -0.446 34.0-174.7 -65.5 148.5 16.3 40.9 3.9 68 68 A T > - 0 0 62 -2,-0.2 4,-2.2 -27,-0.2 5,-0.1 -0.705 41.8-103.2-128.4 166.8 15.5 37.5 2.4 69 69 A E H > S+ 0 0 72 -2,-0.2 4,-2.9 1,-0.2 39,-0.1 0.879 122.6 51.7 -58.6 -43.3 12.4 36.6 0.4 70 70 A E H > S+ 0 0 148 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.877 111.3 46.3 -65.4 -45.0 10.8 34.9 3.4 71 71 A D H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.826 112.1 51.4 -66.0 -34.6 11.3 38.0 5.6 72 72 A I H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.973 108.2 53.0 -63.3 -48.5 10.0 40.3 2.8 73 73 A A H X S+ 0 0 6 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.820 115.7 39.3 -50.6 -40.7 6.9 38.1 2.5 74 74 A T H X S+ 0 0 71 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.800 113.5 53.2 -80.8 -37.7 6.2 38.3 6.3 75 75 A Y H >< S+ 0 0 29 -4,-2.2 3,-0.5 1,-0.2 7,-0.2 0.927 105.7 54.1 -62.8 -41.1 7.1 42.0 6.7 76 76 A V H 3< S+ 0 0 19 -4,-2.4 24,-2.6 1,-0.2 -1,-0.2 0.807 100.7 60.4 -67.3 -27.8 4.7 43.1 3.9 77 77 A K H 3< S- 0 0 102 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.883 135.1 -7.5 -70.2 -33.5 1.7 41.4 5.5 78 78 A D S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.885 85.4 49.5 -59.2 -44.3 5.3 45.8 8.7 80 80 A G H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 112.0 48.6 -67.9 -34.7 4.7 47.2 12.2 81 81 A A H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 110.3 52.5 -72.1 -36.1 4.2 43.7 13.7 82 82 A F H X S+ 0 0 15 -4,-2.2 4,-2.4 -7,-0.2 5,-0.3 0.961 110.3 47.4 -56.6 -50.3 7.3 42.5 12.0 83 83 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.936 109.4 52.9 -61.8 -47.2 9.4 45.3 13.4 84 84 A K H X>S+ 0 0 84 -4,-2.4 5,-2.3 8,-0.2 4,-1.0 0.926 112.8 45.4 -53.3 -49.5 8.1 44.8 17.0 85 85 A E H <5S+ 0 0 153 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.949 114.3 44.6 -59.7 -51.7 8.9 41.1 17.0 86 86 A K H <5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 121.3 39.0 -65.1 -38.3 12.5 41.3 15.4 87 87 A L H <5S- 0 0 39 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.580 103.9-131.5 -83.4 -16.8 13.6 44.2 17.6 88 88 A D T <5 + 0 0 155 -4,-1.0 2,-0.3 -3,-0.5 -3,-0.2 0.962 65.8 130.1 63.3 47.5 11.7 42.7 20.6 89 89 A D > < - 0 0 72 -5,-2.3 3,-1.9 -6,-0.2 -1,-0.2 -0.891 52.8-161.2-143.4 117.4 10.2 46.2 21.1 90 90 A K T 3 S+ 0 0 189 -2,-0.3 -6,-0.1 1,-0.3 -1,-0.1 0.734 95.6 55.5 -63.2 -28.1 6.6 47.1 21.5 91 91 A K T 3 S+ 0 0 180 -7,-0.1 -1,-0.3 2,-0.1 -35,-0.1 0.354 74.1 130.0 -88.2 0.4 7.3 50.7 20.5 92 92 A A < - 0 0 3 -3,-1.9 2,-0.3 -12,-0.1 -8,-0.2 -0.406 41.1-166.2 -53.4 135.8 8.9 49.8 17.1 93 93 A K - 0 0 127 -10,-0.1 -37,-0.4 -9,-0.0 2,-0.4 -0.932 11.4-155.4-126.3 155.2 7.2 52.0 14.5 94 94 A T - 0 0 36 -2,-0.3 -14,-0.1 -38,-0.1 -39,-0.0 -0.946 16.4-154.6-128.4 147.5 7.1 51.8 10.6 95 95 A E S S+ 0 0 132 -2,-0.4 2,-1.3 -16,-0.1 -1,-0.1 0.429 76.3 94.4 -91.6 -15.0 6.4 54.5 8.0 96 96 A M - 0 0 45 1,-0.1 2,-1.1 2,-0.0 -16,-0.2 -0.784 57.4-175.9 -80.8 97.4 5.2 51.9 5.5 97 97 A A + 0 0 104 -2,-1.3 2,-0.3 -18,-0.1 -1,-0.1 -0.664 47.2 89.5-101.2 83.5 1.4 52.2 6.1 98 98 A F - 0 0 89 -2,-1.1 2,-0.4 -22,-0.1 -20,-0.0 -0.824 54.9-158.9-170.8 132.5 0.1 49.4 3.9 99 99 A K - 0 0 148 -2,-0.3 2,-0.6 -21,-0.1 -22,-0.3 -0.982 15.7-138.6-122.6 130.3 -0.4 45.8 4.7 100 100 A L - 0 0 12 -24,-2.6 4,-0.2 -2,-0.4 3,-0.1 -0.800 9.0-159.1 -90.7 126.0 -0.6 43.3 1.9 101 101 A A S S- 0 0 99 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.957 71.6 -5.9 -77.8 -41.0 -3.4 40.7 2.6 102 102 A K S S+ 0 0 141 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.957 105.6 62.0-148.5 160.5 -2.1 38.0 0.3 103 103 A G > + 0 0 12 -2,-0.3 4,-2.4 -3,-0.1 3,-0.5 0.384 55.0 132.3 102.6 9.6 0.7 37.6 -2.3 104 104 A G H > S+ 0 0 2 1,-0.3 4,-2.2 2,-0.2 -30,-0.1 0.800 74.0 46.6 -55.0 -48.6 3.8 38.2 -0.1 105 105 A E H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.814 113.0 49.7 -66.0 -40.3 5.8 35.2 -1.3 106 106 A D H > S+ 0 0 34 -3,-0.5 4,-2.3 2,-0.2 -100,-0.4 0.900 111.8 46.4 -72.0 -44.0 5.1 36.0 -4.9 107 107 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 112.3 53.6 -60.2 -42.7 6.1 39.6 -4.7 108 108 A A H X S+ 0 0 1 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.927 110.0 45.4 -57.6 -45.4 9.2 38.5 -2.7 109 109 A A H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.856 111.2 54.5 -66.6 -41.3 10.2 36.0 -5.5 110 110 A Y H X S+ 0 0 10 -4,-2.3 4,-0.8 -108,-0.2 -1,-0.2 0.882 106.3 51.2 -61.7 -41.0 9.6 38.7 -8.1 111 111 A L H >< S+ 0 0 7 -4,-2.2 3,-0.5 1,-0.2 4,-0.4 0.921 110.6 49.0 -65.6 -34.7 11.9 41.2 -6.3 112 112 A A H >< S+ 0 0 27 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.836 110.2 51.3 -70.1 -30.7 14.8 38.5 -6.2 113 113 A S H 3< S+ 0 0 24 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.684 92.5 75.9 -83.7 -11.2 14.4 37.7 -9.9 114 114 A V T << S+ 0 0 24 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.715 98.2 41.9 -77.7 -24.9 14.6 41.3 -11.1 115 115 A V < 0 0 69 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.668 360.0 360.0 -82.9 -29.2 18.3 41.8 -10.7 116 116 A K 0 0 195 -4,-0.4 -3,-0.0 -3,-0.3 -4,-0.0 -0.174 360.0 360.0 -67.0 360.0 18.9 38.3 -12.2 117 !* 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 0.0 118 1 B G 0 0 66 0, 0.0 2,-0.6 0, 0.0 105,-0.2 0.000 360.0 360.0 360.0-176.2 46.9 69.6 10.6 119 2 B D > - 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0 0 60 -4,-0.9 4,-2.0 -3,-0.4 3,-0.3 -0.504 63.6-168.2-172.4 85.1 31.6 69.7 20.2 196 79 B P H > S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.893 88.0 50.8 -47.5 -53.7 29.7 66.9 18.6 197 80 B G H > S+ 0 0 10 1,-0.2 4,-1.9 16,-0.2 5,-0.2 0.851 109.1 50.3 -59.0 -34.9 26.1 68.0 19.7 198 81 B A H > S+ 0 0 43 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.943 108.1 53.6 -65.9 -45.5 26.6 71.6 18.4 199 82 B F H X S+ 0 0 5 -4,-2.0 4,-3.1 -7,-0.2 5,-0.3 0.962 109.7 47.2 -59.5 -44.0 27.8 70.4 15.0 200 83 B L H X S+ 0 0 1 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.925 111.5 51.2 -64.3 -42.3 24.7 68.1 14.5 201 84 B K H X>S+ 0 0 80 -4,-1.9 5,-1.7 2,-0.2 4,-0.9 0.937 114.3 43.5 -59.5 -46.2 22.3 71.0 15.5 202 85 B E H <5S+ 0 0 110 -4,-3.0 3,-0.4 3,-0.2 -2,-0.2 0.960 118.4 43.8 -66.1 -50.3 23.9 73.4 13.1 203 86 B K H <5S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.899 119.8 40.0 -66.9 -36.7 24.1 70.8 10.2 204 87 B L H <5S- 0 0 40 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.633 100.9-131.6 -84.0 -11.3 20.6 69.4 10.7 205 88 B D T <5 + 0 0 152 -4,-0.9 2,-0.2 -3,-0.4 -3,-0.2 0.979 69.4 126.7 56.6 50.0 19.2 72.8 11.4 206 89 B D > < - 0 0 71 -5,-1.7 3,-2.8 -6,-0.2 -1,-0.2 -0.756 53.8-160.5-148.2 102.0 17.6 71.1 14.4 207 90 B K T 3 S+ 0 0 199 1,-0.3 -6,-0.1 -2,-0.2 -1,-0.1 0.615 95.3 56.1 -58.9 -10.6 17.9 72.4 18.0 208 91 B K T 3 S+ 0 0 170 -7,-0.1 -1,-0.3 2,-0.1 -35,-0.1 0.254 75.2 130.7-105.4 16.1 16.9 68.9 19.3 209 92 B A < - 0 0 1 -3,-2.8 2,-0.3 -12,-0.1 -8,-0.2 -0.465 39.9-168.3 -63.5 134.7 19.8 67.1 17.4 210 93 B K - 0 0 109 -10,-0.1 -37,-0.5 -2,-0.1 2,-0.3 -0.965 13.4-153.4-135.3 154.4 21.6 64.8 19.9 211 94 B T - 0 0 40 -2,-0.3 -14,-0.1 -38,-0.1 -39,-0.0 -0.824 15.3-153.0-117.4 152.2 24.8 62.9 19.9 212 95 B E S S+ 0 0 129 -2,-0.3 2,-1.1 -41,-0.1 -1,-0.1 0.567 72.4 100.3 -99.7 -15.7 26.0 59.7 21.8 213 96 B M - 0 0 44 1,-0.1 2,-1.0 2,-0.1 -16,-0.2 -0.736 56.6-168.6 -72.5 102.6 29.7 60.7 21.6 214 97 B A + 0 0 107 -2,-1.1 2,-0.3 -18,-0.1 -1,-0.1 -0.520 53.7 91.4 -88.8 62.4 30.2 62.1 25.2 215 98 B F - 0 0 86 -2,-1.0 2,-0.4 2,-0.0 -2,-0.1 -0.985 52.7-164.5-159.2 136.1 33.6 63.6 24.5 216 99 B K - 0 0 130 -2,-0.3 2,-0.6 -21,-0.1 -22,-0.3 -0.974 10.7-151.3-124.6 140.1 34.7 67.1 23.4 217 100 B L - 0 0 15 -24,-3.0 4,-0.3 -2,-0.4 3,-0.1 -0.888 12.4-176.3-114.6 95.0 38.2 67.8 22.1 218 101 B A S S+ 0 0 95 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.889 71.2 17.6 -57.8 -41.2 39.0 71.5 22.8 219 102 B K S S+ 0 0 184 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.982 111.7 42.9-131.4 148.2 42.4 71.6 21.1 220 103 B G >> + 0 0 11 -2,-0.3 4,-2.1 -3,-0.1 3,-1.0 0.329 64.7 132.4 101.1 -6.1 44.0 69.2 18.5 221 104 B G H 3> S+ 0 0 2 -4,-0.3 4,-2.3 1,-0.3 3,-0.2 0.906 74.6 44.7 -42.3 -57.7 41.0 68.8 16.3 222 105 B E H 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.785 112.3 53.6 -63.7 -27.5 42.8 69.5 13.0 223 106 B D H <> S+ 0 0 5 -3,-1.0 4,-1.8 2,-0.2 -100,-0.3 0.841 109.4 45.6 -72.9 -40.9 45.7 67.2 14.0 224 107 B V H X S+ 0 0 2 -4,-2.1 4,-2.1 -3,-0.2 5,-0.2 0.957 112.5 53.9 -71.0 -34.6 43.5 64.2 14.8 225 108 B A H X S+ 0 0 1 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.927 107.5 49.3 -68.0 -40.7 41.7 64.8 11.6 226 109 B A H X S+ 0 0 14 -4,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.910 109.7 51.9 -68.8 -36.1 44.9 64.8 9.6 227 110 B Y H X S+ 0 0 10 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.885 105.9 54.3 -65.8 -32.9 46.0 61.5 11.2 228 111 B L H < S+ 0 0 7 -4,-2.1 4,-0.4 1,-0.2 -72,-0.4 0.886 110.9 46.8 -70.3 -30.1 42.7 59.8 10.3 229 112 B A H < S+ 0 0 22 -4,-1.7 3,-0.4 -5,-0.2 4,-0.4 0.881 111.6 52.6 -75.2 -33.4 43.2 60.8 6.7 230 113 B S H >< S+ 0 0 48 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.793 95.3 67.4 -75.2 -28.2 46.8 59.6 6.8 231 114 B V T 3< S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.709 94.3 54.1 -69.0 -27.2 46.2 56.1 8.1 232 115 B V T 3 0 0 62 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 0.706 360.0 360.0 -78.8 -17.9 44.4 54.6 5.1 233 116 B K < 0 0 208 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.972 360.0 360.0 -81.3 360.0 47.3 55.7 2.9