==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 30-MAY-10 2XG3 . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.DIEHL,O.ENGSTROM,T.DELAINE,M.HAKANSSON,S.GENHEDEN,K.MODIG, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 77.5 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 . 73 52.9 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 . 5 3.6 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 . 22 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.2 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+4), 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 . 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 0 0 0 0 0 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 1 1 1 2 2 2 0 1 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 1 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 1 113 A A 0 0 117 0, 0.0 130,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -32.8 5.1 6.1 9.1 2 114 A L B -A 130 0A 53 128,-2.4 128,-0.6 1,-0.1 2,-0.3 -0.452 360.0-108.4 -58.2 145.0 3.6 4.0 6.3 3 115 A I - 0 0 140 -2,-0.1 -1,-0.1 126,-0.1 126,-0.1 -0.643 41.2-109.7 -79.2 134.8 2.7 6.3 3.4 4 116 A V S S+ 0 0 44 -2,-0.3 121,-0.2 124,-0.1 2,-0.1 -0.898 101.8 51.5-106.6 139.7 -1.0 6.9 2.9 5 117 A P S S- 0 0 107 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.476 87.8-174.4 -67.6 144.0 -2.8 5.9 0.7 6 118 A Y E -F 124 0B 66 118,-2.5 118,-2.6 -2,-0.1 2,-0.6 -0.945 17.8-149.6-117.7 134.7 -1.4 2.5 1.5 7 119 A N E -F 123 0B 70 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.927 9.1-169.8-107.6 121.5 -2.1 -0.7 -0.5 8 120 A L E -F 122 0B 13 114,-3.3 114,-2.3 -2,-0.6 2,-0.1 -0.902 19.6-137.3-105.6 113.5 -2.0 -3.9 1.4 9 121 A P E -F 121 0B 69 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.446 8.7-158.3 -65.3 141.9 -2.1 -7.0 -0.9 10 122 A L > - 0 0 1 110,-2.8 3,-2.3 -2,-0.1 2,-0.1 -0.872 21.9-140.0-118.7 86.5 -4.4 -9.8 0.3 11 123 A P T 3 S+ 0 0 93 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.305 82.2 0.4 -62.9 124.7 -2.9 -12.8 -1.5 12 124 A G T 3 S- 0 0 61 -2,-0.1 107,-0.2 108,-0.1 108,-0.1 0.690 118.7 -95.7 72.8 17.9 -5.6 -15.1 -2.8 13 125 A G < - 0 0 5 -3,-2.3 104,-0.3 105,-0.2 2,-0.2 -0.234 60.8 -43.8 72.9-163.2 -8.2 -12.8 -1.4 14 126 A V - 0 0 3 102,-2.4 105,-0.2 101,-0.1 104,-0.1 -0.572 48.3-176.2-105.2 166.2 -9.9 -13.1 2.0 15 127 A V > - 0 0 67 -2,-0.2 3,-1.8 102,-0.1 77,-0.3 -0.969 42.0 -77.0-155.1 147.5 -11.4 -16.1 3.7 16 128 A P T 3 S+ 0 0 45 0, 0.0 77,-0.3 0, 0.0 3,-0.1 -0.296 117.7 33.0 -52.7 141.7 -13.3 -16.6 6.9 17 129 A R T 3 S+ 0 0 139 75,-2.8 121,-2.8 1,-0.3 2,-0.5 0.337 85.6 129.9 89.0 -1.8 -11.0 -16.5 10.0 18 130 A M E < -B 137 0A 6 -3,-1.8 74,-2.8 74,-0.4 2,-0.5 -0.726 42.8-159.6 -81.5 126.4 -8.7 -14.0 8.4 19 131 A L E -BC 136 91A 28 117,-3.3 117,-2.1 -2,-0.5 2,-0.4 -0.942 4.6-163.3-111.3 120.7 -8.0 -11.0 10.7 20 132 A I E -BC 135 90A 0 70,-3.2 70,-2.7 -2,-0.5 2,-0.4 -0.861 6.7-165.8-101.2 135.6 -6.8 -7.7 9.4 21 133 A T E -BC 134 89A 27 113,-2.8 113,-2.2 -2,-0.4 2,-0.4 -0.989 6.2-173.8-127.2 128.9 -5.3 -5.2 11.8 22 134 A I E -BC 133 88A 0 66,-2.7 66,-2.7 -2,-0.4 2,-0.4 -0.988 4.0-172.7-122.4 123.1 -4.7 -1.5 11.1 23 135 A L E +BC 132 87A 65 109,-2.6 108,-2.6 -2,-0.4 109,-1.8 -0.954 27.2 117.8-117.6 132.9 -2.8 0.6 13.6 24 136 A G E -BC 130 86A 3 62,-1.9 62,-3.0 -2,-0.4 2,-0.4 -0.950 53.4-103.1-169.0-171.6 -2.5 4.3 13.2 25 137 A T E -BC 129 85A 43 104,-2.4 104,-2.8 -2,-0.3 2,-0.3 -0.997 30.9-120.4-132.0 133.7 -3.3 7.7 14.7 26 138 A V E -B 128 0A 1 58,-2.4 57,-0.7 -2,-0.4 102,-0.3 -0.593 33.8-121.9 -72.9 135.4 -6.0 10.1 13.6 27 139 A K > - 0 0 86 100,-2.6 3,-1.3 -2,-0.3 56,-0.7 -0.287 38.1 -82.9 -66.7 156.9 -4.6 13.5 12.5 28 140 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 -0.391 113.8 5.7 -54.6 146.6 -5.8 16.6 14.2 29 141 A N T 3 S- 0 0 156 1,-0.1 -2,-0.1 -3,-0.1 22,-0.0 0.694 92.1-173.7 38.1 38.5 -9.1 18.0 12.7 30 142 A A < - 0 0 9 -3,-1.3 -1,-0.1 97,-0.1 52,-0.1 -0.120 21.0-167.2 -45.8 146.2 -9.4 14.9 10.5 31 143 A N - 0 0 86 1,-0.4 20,-2.6 20,-0.1 21,-0.6 0.708 61.7 -5.9-104.4 -37.9 -12.2 14.8 8.0 32 144 A R B -G 50 0B 84 18,-0.2 95,-3.6 19,-0.1 -1,-0.4 -0.992 42.9-160.4-156.3 157.6 -12.2 11.2 6.9 33 145 A I E -H 126 0B 1 16,-1.9 2,-0.4 -2,-0.3 93,-0.3 -0.964 19.7-167.4-130.3 148.1 -10.7 7.7 7.1 34 146 A A E -H 125 0B 0 91,-2.7 91,-2.7 -2,-0.3 2,-0.4 -0.981 17.6-170.8-144.2 137.7 -11.3 5.0 4.5 35 147 A L E -HI 124 47B 0 12,-2.4 12,-2.7 -2,-0.4 2,-0.5 -0.990 14.6-169.8-112.3 128.1 -10.7 1.3 4.2 36 148 A D E -HI 123 46B 25 87,-2.6 87,-2.7 -2,-0.4 2,-0.7 -0.943 9.3-163.5-125.4 101.7 -11.4 -0.1 0.7 37 149 A F E -HI 122 45B 0 8,-2.8 7,-1.9 -2,-0.5 8,-1.4 -0.821 27.8-157.0 -82.1 112.0 -11.4 -3.9 0.3 38 150 A Q E -HI 121 43B 37 83,-2.9 83,-1.2 -2,-0.7 82,-0.6 -0.786 33.1-170.5-108.7 139.9 -11.1 -4.2 -3.4 39 151 A R E > S- I 0 42B 69 3,-2.3 3,-2.1 -2,-0.3 80,-0.2 -0.931 78.8 -60.7-116.2 92.7 -12.0 -6.9 -6.0 40 152 A G T 3 S- 0 0 58 -2,-0.5 81,-0.0 78,-0.4 -1,-0.0 -0.442 119.7 -17.5 61.6-131.6 -10.3 -5.4 -9.0 41 153 A N T 3 S+ 0 0 105 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.605 123.3 93.8 -78.6 -16.2 -11.9 -2.0 -9.6 42 154 A D E < S-I 39 0B 18 -3,-2.1 -3,-2.3 24,-0.1 2,-0.7 -0.522 71.0-139.0 -77.3 151.8 -14.9 -3.1 -7.4 43 155 A V E -IJ 38 64B 6 21,-2.2 21,-2.1 -5,-0.2 -5,-0.3 -0.919 16.9-176.3-109.8 106.0 -15.0 -2.2 -3.7 44 156 A A E S+ 0 0 3 -7,-1.9 68,-0.4 -2,-0.7 2,-0.3 0.886 77.7 12.2 -67.0 -39.5 -16.4 -5.1 -1.8 45 157 A F E -I 37 0B 0 -8,-1.4 -8,-2.8 67,-0.1 2,-0.5 -0.909 64.5-173.6-147.6 114.3 -16.3 -3.3 1.5 46 158 A H E -IJ 36 62B 14 16,-2.6 16,-1.6 -2,-0.3 2,-0.5 -0.951 5.0-170.6-105.7 122.2 -15.8 0.4 2.0 47 159 A F E +IJ 35 61B 0 -12,-2.7 -12,-2.4 -2,-0.5 14,-0.2 -0.982 12.0 175.9-119.4 109.3 -15.5 1.5 5.6 48 160 A N E - J 0 60B 3 12,-2.6 12,-2.1 -2,-0.5 2,-0.3 -0.771 18.1-163.2-130.9 86.3 -15.6 5.3 5.8 49 161 A P E - J 0 59B 0 0, 0.0 -16,-1.9 0, 0.0 2,-0.5 -0.563 14.6-159.9 -60.5 126.2 -15.6 7.2 9.1 50 162 A R E -GJ 32 58B 63 8,-3.2 8,-2.3 -2,-0.3 3,-0.4 -0.983 11.7-167.0-114.2 120.7 -16.7 10.8 8.5 51 163 A F E S+ 0 0 19 -20,-2.6 -19,-0.1 -2,-0.5 2,-0.1 0.629 81.9 22.3 -83.8 -20.5 -15.8 13.4 11.0 52 164 A N E + 0 0 87 -21,-0.6 2,-0.7 6,-0.1 -1,-0.2 -0.554 61.8 153.4-153.4 82.8 -18.1 16.1 9.8 53 165 A E E > S- J 0 56B 47 3,-3.0 3,-1.2 -3,-0.4 -3,-0.1 -0.948 96.6 -27.1-107.4 105.4 -21.0 15.2 7.7 54 166 A N T 3 S- 0 0 142 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.886 125.9 -53.2 46.0 48.1 -23.4 18.1 8.4 55 167 A N T 3 S+ 0 0 143 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.718 119.4 105.2 65.7 26.8 -21.7 18.5 11.8 56 168 A R E < -J 53 0B 188 -3,-1.2 -3,-3.0 2,-0.0 2,-0.5 -0.916 67.5-128.0-127.1 155.0 -22.1 14.9 12.8 57 169 A R E + 0 0 94 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.895 40.7 158.6-101.9 131.6 -19.7 12.0 13.0 58 170 A V E -J 50 0B 14 -8,-2.3 -8,-3.2 -2,-0.5 2,-0.5 -0.992 37.7-131.4-151.6 149.1 -20.8 8.9 11.2 59 171 A I E -JK 49 75B 0 16,-1.6 16,-1.2 -2,-0.3 2,-0.5 -0.952 23.3-162.1-107.6 128.0 -19.4 5.8 9.7 60 172 A V E -JK 48 74B 1 -12,-2.1 -12,-2.6 -2,-0.5 2,-0.4 -0.925 6.0-172.2-109.6 126.4 -20.6 5.0 6.2 61 173 A C E +JK 47 73B 3 12,-2.5 12,-2.5 -2,-0.5 2,-0.3 -0.944 18.6 140.7-118.1 143.9 -20.2 1.5 4.7 62 174 A N E -J 46 0B 3 -16,-1.6 -16,-2.6 -2,-0.4 2,-0.3 -0.966 40.3-117.1-163.4 178.2 -20.9 0.5 1.1 63 175 A T E - 0 0 3 -2,-0.3 7,-2.2 -18,-0.2 2,-0.5 -0.979 16.9-149.2-131.3 140.0 -20.0 -1.5 -1.9 64 176 A K E +JL 43 69B 44 -21,-2.1 -21,-2.2 -2,-0.3 2,-0.4 -0.968 18.1 179.0-115.0 122.1 -18.9 -0.2 -5.3 65 177 A L E > S- L 0 68B 81 3,-2.4 3,-1.6 -2,-0.5 -23,-0.1 -0.987 71.5 -12.1-125.7 123.5 -19.8 -2.4 -8.4 66 178 A D T 3 S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.868 131.3 -53.8 52.2 39.8 -19.0 -1.4 -12.0 67 179 A N T 3 S+ 0 0 101 1,-0.2 2,-0.5 -26,-0.2 -1,-0.3 0.628 115.4 117.2 73.2 17.7 -18.2 2.1 -10.6 68 180 A N E < -L 65 0B 113 -3,-1.6 -3,-2.4 0, 0.0 2,-0.2 -0.953 59.6-137.2-120.0 121.7 -21.6 2.5 -8.9 69 181 A W E -L 64 0B 95 -2,-0.5 -5,-0.2 -5,-0.3 3,-0.1 -0.472 22.7-149.3 -67.1 140.6 -22.0 2.8 -5.1 70 182 A G - 0 0 22 -7,-2.2 2,-0.5 -2,-0.2 -1,-0.1 0.094 43.9 -42.3 -88.2-154.5 -24.8 0.8 -3.6 71 183 A R - 0 0 190 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.689 65.3-126.8 -82.5 123.3 -27.1 1.4 -0.6 72 184 A E - 0 0 84 -2,-0.5 2,-0.5 -10,-0.1 -10,-0.2 -0.387 8.8-146.3 -67.4 147.7 -25.1 2.8 2.3 73 185 A E E -K 61 0B 71 -12,-2.5 -12,-2.5 -2,-0.1 2,-0.4 -0.985 23.1-164.6-112.4 119.2 -25.1 1.2 5.8 74 186 A R E -K 60 0B 116 -2,-0.5 2,-0.3 -14,-0.2 -14,-0.2 -0.951 8.5-167.4-123.8 141.1 -24.8 3.9 8.4 75 187 A Q E -K 59 0B 50 -16,-1.2 -16,-1.6 -2,-0.4 32,-0.0 -0.916 19.0-153.4-133.6 130.1 -24.0 3.7 12.1 76 188 A S S S+ 0 0 105 -2,-0.3 2,-0.2 -18,-0.2 -19,-0.1 0.746 70.8 95.4 -82.7 -30.8 -24.3 6.2 14.9 77 189 A V + 0 0 79 29,-0.1 -18,-0.2 -18,-0.1 -2,-0.1 -0.512 51.1 179.7 -74.1 125.8 -21.5 4.7 17.0 78 190 A F + 0 0 23 -2,-0.2 -1,-0.0 1,-0.1 -21,-0.0 -0.890 13.1 172.9-135.5 94.9 -18.2 6.5 16.4 79 191 A P + 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.532 48.9 97.5 -89.0 -2.8 -15.2 5.4 18.3 80 192 A F - 0 0 3 6,-0.0 2,-0.4 21,-0.0 6,-0.0 -0.520 50.3-166.9 -86.5 155.5 -12.5 7.5 16.6 81 193 A E > - 0 0 78 3,-0.2 3,-2.2 -2,-0.2 -55,-0.3 -0.996 30.1-105.7-140.7 130.8 -11.2 10.8 17.9 82 194 A S T 3 S+ 0 0 47 -2,-0.4 -55,-0.2 1,-0.3 -56,-0.0 -0.270 106.5 17.9 -51.9 135.4 -9.0 13.3 16.1 83 195 A G T 3 S+ 0 0 40 -57,-0.7 -1,-0.3 -56,-0.7 -56,-0.1 0.303 103.1 111.8 87.5 -9.4 -5.5 13.2 17.4 84 196 A K < - 0 0 120 -3,-2.2 -58,-2.4 -57,-0.2 -3,-0.2 -0.733 67.6-112.0-111.2 149.9 -5.8 9.7 19.0 85 197 A P E -C 25 0A 91 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.446 39.0-176.9 -70.9 145.6 -4.2 6.3 18.3 86 198 A F E -C 24 0A 9 -62,-3.0 -62,-1.9 -2,-0.1 2,-0.4 -0.940 23.5-149.2-136.9 164.2 -6.6 3.6 17.1 87 199 A K E -C 23 0A 48 -2,-0.3 15,-2.6 -64,-0.2 2,-0.5 -0.998 12.8-166.3-131.6 123.6 -6.6 -0.1 16.2 88 200 A I E -CD 22 101A 0 -66,-2.7 -66,-2.7 -2,-0.4 2,-0.5 -0.969 4.7-169.7-107.1 131.1 -9.1 -1.3 13.6 89 201 A Q E -CD 21 100A 40 11,-3.1 11,-2.4 -2,-0.5 2,-0.5 -0.972 3.6-168.2-120.4 125.5 -9.6 -5.1 13.4 90 202 A V E -CD 20 99A 0 -70,-2.7 -70,-3.2 -2,-0.5 2,-0.6 -0.970 5.4-167.9-115.4 114.2 -11.5 -6.5 10.5 91 203 A L E -CD 19 98A 20 7,-3.0 7,-2.8 -2,-0.5 2,-0.6 -0.919 16.7-137.7-104.1 119.4 -12.4 -10.2 11.0 92 204 A V E - D 0 97A 1 -74,-2.8 -75,-2.8 -2,-0.6 -74,-0.4 -0.745 26.8-175.9 -80.1 122.7 -13.7 -12.0 7.9 93 205 A E - 0 0 46 3,-2.9 3,-0.2 -2,-0.6 -75,-0.0 -0.667 42.0 -97.2-112.1 162.1 -16.7 -14.2 8.9 94 206 A P S S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.804 120.6 17.2 -54.1 -30.5 -18.6 -16.6 6.7 95 207 A D S S+ 0 0 120 1,-0.2 16,-1.6 15,-0.0 2,-0.3 0.383 128.0 17.1-125.6 -0.7 -21.3 -14.1 6.1 96 208 A H E - E 0 110A 29 14,-0.3 -3,-2.9 -3,-0.2 2,-0.5 -0.988 69.1-105.9-157.3 163.2 -20.0 -10.7 7.0 97 209 A F E -DE 92 109A 2 12,-2.7 12,-2.6 -2,-0.3 2,-0.5 -0.865 36.7-151.6 -83.7 133.9 -17.0 -8.5 7.8 98 210 A K E -DE 91 108A 62 -7,-2.8 -7,-3.0 -2,-0.5 2,-0.5 -0.957 10.0-161.3-111.3 121.8 -16.8 -7.9 11.6 99 211 A V E +DE 90 107A 0 8,-3.3 7,-2.9 -2,-0.5 8,-1.6 -0.912 11.6 178.5-111.6 130.9 -15.2 -4.7 12.6 100 212 A A E -DE 89 105A 18 -11,-2.4 -11,-3.1 -2,-0.5 2,-0.4 -0.960 10.1-160.5-122.0 141.5 -13.8 -3.9 16.1 101 213 A V E > S-DE 88 104A 3 3,-2.5 3,-2.1 -2,-0.4 -13,-0.2 -0.987 77.1 -7.7-124.6 130.3 -12.1 -0.6 17.0 102 214 A N T 3 S- 0 0 78 -15,-2.6 -1,-0.2 -2,-0.4 -14,-0.1 0.886 131.0 -56.5 50.2 43.9 -9.9 -0.4 20.1 103 215 A D T 3 S+ 0 0 117 -16,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.467 116.0 112.4 69.9 8.5 -11.0 -3.9 21.1 104 216 A A E < S-E 101 0A 58 -3,-2.1 -3,-2.5 -25,-0.0 -1,-0.2 -0.914 74.7-111.4-111.9 127.5 -14.7 -3.0 21.1 105 217 A H E +E 100 0A 114 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.295 39.1 171.7 -53.7 136.2 -17.1 -4.5 18.5 106 218 A L E - 0 0 13 -7,-2.9 2,-0.3 1,-0.4 -6,-0.2 0.798 48.9 -33.2-114.4 -60.1 -18.3 -1.8 16.2 107 219 A L E -E 99 0A 15 -8,-1.6 -8,-3.3 -32,-0.0 -1,-0.4 -0.981 40.5-131.0-159.6 169.1 -20.3 -3.2 13.3 108 220 A Q E -E 98 0A 89 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.950 14.8-159.8-126.3 150.6 -20.8 -6.1 10.9 109 221 A Y E -E 97 0A 1 -12,-2.6 -12,-2.7 -2,-0.3 3,-0.1 -0.965 20.2-129.8-134.3 112.2 -21.2 -5.8 7.1 110 222 A N E -E 96 0A 99 -2,-0.4 2,-0.4 -14,-0.3 -14,-0.3 -0.289 33.4 -98.8 -60.4 142.1 -22.8 -8.6 5.2 111 223 A H + 0 0 20 -16,-1.6 -1,-0.1 1,-0.2 3,-0.1 -0.501 45.7 165.1 -67.3 120.0 -21.0 -9.9 2.1 112 224 A R S S+ 0 0 83 -2,-0.4 2,-0.5 -68,-0.4 -1,-0.2 0.744 72.8 59.9 -96.1 -43.4 -22.4 -8.4 -1.1 113 225 A V - 0 0 13 -69,-0.3 -1,-0.1 1,-0.1 6,-0.1 -0.809 70.0-174.4 -81.2 121.0 -19.3 -9.5 -3.1 114 226 A K + 0 0 164 -2,-0.5 2,-1.9 1,-0.2 3,-0.2 0.642 61.2 87.4-105.9 -7.9 -19.3 -13.2 -2.7 115 227 A K > + 0 0 116 1,-0.2 3,-2.1 2,-0.1 4,-0.3 -0.565 52.9 169.6 -82.2 73.4 -16.0 -14.1 -4.5 116 228 A L G > + 0 0 27 -2,-1.9 -102,-2.4 1,-0.3 3,-1.7 0.857 69.1 63.1 -57.9 -34.6 -14.0 -13.6 -1.3 117 229 A N G 3 S+ 0 0 107 -104,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.475 100.2 54.7 -76.1 6.1 -10.9 -15.1 -2.8 118 230 A E G < S+ 0 0 83 -3,-2.1 2,-1.5 1,-0.1 -78,-0.4 0.374 77.2 97.1-112.7 1.1 -10.8 -12.3 -5.4 119 231 A I < + 0 0 0 -3,-1.7 -80,-0.3 -4,-0.3 -1,-0.1 -0.672 50.4 155.5 -88.1 84.7 -10.9 -9.5 -2.8 120 232 A S + 0 0 51 -2,-1.5 -110,-2.8 -82,-0.6 2,-0.3 0.271 41.8 51.1-113.5 12.9 -7.2 -9.2 -3.0 121 233 A K E -FH 9 38B 75 -83,-1.2 -83,-2.9 -112,-0.3 2,-0.5 -0.993 53.1-158.8-145.2 146.7 -6.2 -5.6 -2.0 122 234 A L E -FH 8 37B 0 -114,-2.3 -114,-3.3 -2,-0.3 2,-0.5 -0.990 12.6-160.1-119.9 120.4 -7.0 -3.4 1.0 123 235 A G E -FH 7 36B 17 -87,-2.7 -87,-2.6 -2,-0.5 2,-0.5 -0.850 4.8-165.6 -97.9 133.4 -6.5 0.3 0.4 124 236 A I E +FH 6 35B 1 -118,-2.6 -118,-2.5 -2,-0.5 2,-0.3 -0.981 23.6 148.2-121.9 123.6 -6.1 2.5 3.5 125 237 A S E + H 0 34B 20 -91,-2.7 -91,-2.7 -2,-0.5 2,-0.2 -0.903 13.6 67.7-148.8 173.7 -6.5 6.2 3.1 126 238 A G E S- H 0 33B 19 -2,-0.3 2,-2.0 -93,-0.3 -93,-0.3 -0.669 89.8 -18.1 107.8-160.8 -7.6 9.4 4.8 127 239 A D S S+ 0 0 52 -95,-3.6 -100,-2.6 -2,-0.2 2,-0.3 -0.420 95.1 107.6 -94.3 67.7 -6.5 11.6 7.5 128 240 A I E - B 0 26A 0 -2,-2.0 2,-0.6 -102,-0.3 -102,-0.2 -0.941 67.0-129.1-136.1 154.4 -4.3 9.3 9.5 129 241 A D E - B 0 25A 74 -104,-2.8 -104,-2.4 -2,-0.3 2,-0.5 -0.959 38.8-144.9 -94.0 117.1 -0.7 8.6 10.4 130 242 A L E +AB 2 24A 0 -128,-0.6 -128,-2.4 -2,-0.6 -106,-0.3 -0.795 25.8 175.5 -94.1 124.2 -0.5 4.9 9.5 131 243 A T E - 0 0 87 -108,-2.6 2,-0.3 -2,-0.5 -107,-0.2 0.877 62.8 -19.7 -92.3 -46.7 1.7 2.7 11.8 132 244 A S E - B 0 23A 42 -109,-1.8 -109,-2.6 -130,-0.1 -1,-0.3 -0.993 43.6-163.2-162.9 157.7 1.1 -0.8 10.4 133 245 A A E + B 0 22A 14 -2,-0.3 2,-0.3 -111,-0.2 -111,-0.2 -0.953 31.3 139.1-146.0 122.5 -1.2 -2.9 8.4 134 246 A S E - B 0 21A 63 -113,-2.2 -113,-2.8 -2,-0.3 2,-0.3 -0.924 30.9-139.5-153.2 177.1 -1.1 -6.7 8.6 135 247 A Y E + B 0 20A 96 -2,-0.3 2,-0.3 -115,-0.2 -115,-0.2 -0.961 13.1 178.6-143.6 162.5 -3.2 -9.9 8.7 136 248 A T E - B 0 19A 81 -117,-2.1 -117,-3.3 -2,-0.3 2,-0.5 -0.948 31.3-112.3-155.1 161.3 -3.2 -13.3 10.3 137 249 A M E B 0 18A 110 -2,-0.3 -119,-0.2 -119,-0.2 -120,-0.1 -0.889 360.0 360.0 -93.9 127.7 -5.4 -16.4 10.5 138 250 A I 0 0 107 -121,-2.8 -2,-0.0 -2,-0.5 0, 0.0 -0.657 360.0 360.0-104.0 360.0 -7.1 -17.0 13.8