==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 28-JUN-11 3ZSM . COMPND 2 MOLECULE: GALECTIN-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.SARABOJI,M.HAKANSSON,C.DIEHL,U.J.NILSSON,H.LEFFLER,M.AKKE, . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 73.2 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 . 17 12.3 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 M 0 0 168 0, 0.0 2,-0.4 0, 0.0 130,-0.2 0.000 360.0 360.0 360.0 9.0 5.6 4.6 10.2 2 114 A L B -A 130 0A 54 128,-1.8 128,-0.6 130,-0.1 2,-0.3 -0.979 360.0-115.4-128.1 147.4 3.7 3.8 7.0 3 115 A I - 0 0 143 -2,-0.4 126,-0.1 126,-0.1 0, 0.0 -0.584 39.1-108.2 -82.0 145.6 2.7 6.2 4.3 4 116 A V S S+ 0 0 38 -2,-0.3 2,-0.2 124,-0.1 121,-0.1 -0.949 100.0 50.9-112.8 139.1 -1.0 6.8 3.6 5 117 A P S S- 0 0 108 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.412 86.1-175.6 -68.8 146.5 -2.7 5.9 1.4 6 118 A Y E -F 124 0B 69 118,-2.7 118,-2.6 -2,-0.2 2,-0.5 -0.943 18.9-151.4-120.3 139.7 -1.4 2.5 2.0 7 119 A N E -F 123 0B 77 -2,-0.4 116,-0.2 116,-0.2 114,-0.0 -0.947 8.3-168.9-114.2 122.6 -2.2 -0.7 -0.1 8 120 A L E -F 122 0B 14 114,-3.0 114,-2.3 -2,-0.5 2,-0.1 -0.925 17.9-140.1-107.9 109.3 -2.0 -4.0 1.7 9 121 A P E -F 121 0B 72 0, 0.0 112,-0.3 0, 0.0 111,-0.1 -0.456 6.6-157.2 -66.4 144.8 -2.1 -7.0 -0.7 10 122 A L > - 0 0 1 110,-2.7 3,-2.5 -2,-0.1 2,-0.1 -0.871 22.5-139.0-120.4 87.6 -4.3 -9.9 0.5 11 123 A P T 3 S+ 0 0 93 0, 0.0 110,-0.1 0, 0.0 108,-0.1 -0.283 82.5 1.8 -64.1 125.5 -2.8 -12.8 -1.5 12 124 A G T 3 S- 0 0 62 108,-0.1 107,-0.1 -2,-0.1 108,-0.1 0.654 119.4 -93.0 75.9 12.3 -5.4 -15.2 -2.8 13 125 A G < - 0 0 5 -3,-2.5 104,-0.3 105,-0.2 2,-0.2 -0.169 62.0 -43.8 77.8-170.7 -8.1 -13.0 -1.3 14 126 A V - 0 0 5 102,-2.0 105,-0.2 105,-0.2 104,-0.1 -0.566 49.3-173.7 -97.2 160.2 -9.8 -13.3 2.0 15 127 A V > - 0 0 70 -2,-0.2 3,-2.0 102,-0.1 77,-0.3 -0.978 39.8 -80.0-146.5 152.2 -11.1 -16.4 3.8 16 128 A P T 3 S+ 0 0 47 0, 0.0 77,-0.2 0, 0.0 3,-0.1 -0.333 116.3 32.5 -56.7 143.1 -13.1 -17.0 6.9 17 129 A R T 3 S+ 0 0 92 75,-2.7 121,-2.6 1,-0.3 2,-0.4 0.279 84.1 131.8 86.9 1.8 -10.9 -16.8 10.0 18 130 A M E < -B 137 0A 13 -3,-2.0 74,-2.8 74,-0.3 2,-0.5 -0.690 40.6-161.3 -82.2 132.5 -8.6 -14.2 8.6 19 131 A L E -BC 136 91A 31 117,-3.2 117,-2.0 -2,-0.4 2,-0.5 -0.968 4.7-164.3-117.0 123.6 -8.0 -11.3 11.0 20 132 A I E -BC 135 90A 0 70,-2.9 70,-2.6 -2,-0.5 2,-0.4 -0.921 6.0-165.7-110.9 128.1 -6.7 -8.0 9.8 21 133 A T E -BC 134 89A 28 113,-2.5 113,-2.2 -2,-0.5 2,-0.5 -0.966 5.5-174.0-119.5 128.2 -5.4 -5.5 12.4 22 134 A I E -BC 133 88A 1 66,-2.8 66,-2.7 -2,-0.4 2,-0.4 -0.991 3.1-172.3-122.0 125.4 -4.7 -1.9 11.7 23 135 A L E +BC 132 87A 62 109,-2.4 108,-2.7 -2,-0.5 109,-1.8 -0.944 27.1 116.2-115.5 136.6 -3.0 0.4 14.3 24 136 A G E -BC 130 86A 3 62,-2.0 62,-2.8 -2,-0.4 2,-0.4 -0.951 53.3 -98.0-171.0-165.5 -2.7 4.2 13.9 25 137 A T E -BC 129 85A 46 104,-2.5 104,-2.8 -2,-0.3 2,-0.3 -0.997 29.7-122.3-134.3 135.7 -3.6 7.6 15.3 26 138 A V E -B 128 0A 1 58,-2.3 57,-0.9 -2,-0.4 102,-0.2 -0.613 35.4-116.7 -75.8 134.9 -6.4 9.9 14.1 27 139 A K > - 0 0 89 100,-2.6 3,-1.1 -2,-0.3 56,-0.5 -0.347 27.8-103.7 -67.7 158.9 -5.1 13.3 13.1 28 140 A P T 3 S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.817 115.6 28.9 -47.2 -47.7 -6.2 16.4 15.1 29 141 A N T 3 S+ 0 0 154 54,-0.0 -2,-0.1 53,-0.0 22,-0.0 -0.285 87.8 172.5-116.7 52.3 -8.6 17.8 12.6 30 142 A A < + 0 0 12 -3,-1.1 3,-0.1 1,-0.2 52,-0.1 -0.331 21.1 176.6 -70.5 147.6 -9.7 14.6 10.9 31 143 A N - 0 0 86 1,-0.4 20,-2.6 20,-0.1 21,-0.6 0.682 63.2 -5.6-108.5 -36.9 -12.5 14.6 8.5 32 144 A R B -G 50 0B 84 18,-0.2 95,-3.2 19,-0.1 -1,-0.4 -0.996 42.9-158.4-156.6 160.1 -12.6 10.9 7.3 33 145 A I E -H 126 0B 1 16,-1.9 2,-0.4 -2,-0.3 93,-0.2 -0.971 19.8-168.1-131.8 147.8 -11.0 7.5 7.4 34 146 A A E -H 125 0B 0 91,-2.7 91,-2.6 -2,-0.3 2,-0.5 -0.978 16.8-172.2-143.2 135.6 -11.6 4.8 4.8 35 147 A L E -HI 124 47B 1 12,-2.2 12,-2.6 -2,-0.4 2,-0.5 -0.989 15.0-170.4-110.9 129.2 -10.8 1.1 4.5 36 148 A D E -HI 123 46B 26 87,-2.5 87,-2.9 -2,-0.5 2,-0.7 -0.943 10.9-162.4-126.4 108.7 -11.5 -0.2 1.0 37 149 A F E -HI 122 45B 0 8,-2.9 7,-2.0 -2,-0.5 8,-1.4 -0.816 27.4-156.6 -88.1 117.0 -11.5 -4.0 0.4 38 150 A Q E -HI 121 43B 61 83,-3.1 83,-1.1 -2,-0.7 82,-0.8 -0.805 32.2-169.7-110.1 141.2 -11.1 -4.2 -3.4 39 151 A R E > S- I 0 42B 71 3,-2.3 3,-2.1 -2,-0.4 80,-0.2 -0.922 78.5 -61.9-116.6 93.2 -12.0 -6.9 -6.0 40 152 A G T 3 S- 0 0 66 -2,-0.5 -1,-0.1 78,-0.3 81,-0.0 -0.416 119.7 -16.0 58.3-130.6 -10.2 -5.3 -9.0 41 153 A N T 3 S+ 0 0 106 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.642 122.7 92.3 -78.4 -15.2 -12.0 -1.9 -9.6 42 154 A D E < S-I 39 0B 20 -3,-2.1 -3,-2.3 24,-0.1 2,-0.7 -0.498 71.6-138.4 -78.0 153.1 -14.9 -2.9 -7.4 43 155 A V E -IJ 38 64B 8 21,-2.1 21,-2.1 -5,-0.2 -5,-0.3 -0.909 16.4-174.6-109.3 106.2 -15.0 -2.1 -3.7 44 156 A A E S+ 0 0 3 -7,-2.0 68,-0.4 -2,-0.7 2,-0.3 0.865 77.5 10.5 -68.5 -38.5 -16.4 -5.2 -1.9 45 157 A F E -I 37 0B 0 -8,-1.4 -8,-2.9 67,-0.1 2,-0.5 -0.898 64.4-172.5-149.0 115.6 -16.5 -3.4 1.5 46 158 A H E -IJ 36 62B 16 16,-2.8 16,-1.7 -2,-0.3 2,-0.5 -0.965 6.0-169.2-107.1 121.3 -16.0 0.3 2.1 47 159 A F E +IJ 35 61B 0 -12,-2.6 -12,-2.2 -2,-0.5 14,-0.2 -0.977 12.4 176.1-116.0 115.2 -15.8 1.3 5.8 48 160 A N E - J 0 60B 5 12,-2.6 12,-2.0 -2,-0.5 2,-0.3 -0.739 18.6-165.1-137.0 87.1 -15.9 5.0 6.2 49 161 A P E - J 0 59B 0 0, 0.0 -16,-1.9 0, 0.0 2,-0.5 -0.523 14.9-160.6 -63.2 128.8 -16.0 6.9 9.5 50 162 A R E -GJ 32 58B 62 8,-3.1 8,-2.3 -2,-0.3 3,-0.4 -0.984 11.9-166.9-117.0 122.7 -17.0 10.5 8.8 51 163 A F E S+ 0 0 20 -20,-2.6 -19,-0.1 -2,-0.5 2,-0.1 0.619 82.7 26.3 -85.0 -16.2 -16.2 13.0 11.6 52 164 A N E + 0 0 86 -21,-0.6 2,-0.8 6,-0.1 -1,-0.2 -0.516 62.3 151.6-150.9 76.0 -18.4 15.8 10.2 53 165 A E E > S- J 0 56B 45 3,-3.1 3,-1.3 -3,-0.4 -3,-0.1 -0.916 96.1 -27.5-103.9 103.9 -21.4 14.8 8.2 54 166 A N T 3 S- 0 0 139 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.899 124.9 -53.6 51.9 45.7 -23.8 17.7 8.9 55 167 A N T 3 S+ 0 0 144 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.675 120.4 106.2 63.9 22.0 -22.1 18.2 12.2 56 168 A R E < -J 53 0B 188 -3,-1.3 -3,-3.1 2,-0.0 2,-0.5 -0.879 67.8-128.2-123.5 158.0 -22.6 14.6 13.2 57 169 A R E + 0 0 98 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.925 40.7 159.9-104.5 129.2 -20.1 11.7 13.4 58 170 A V E -J 50 0B 15 -8,-2.3 -8,-3.1 -2,-0.5 2,-0.5 -0.986 37.2-131.1-146.9 152.6 -21.3 8.6 11.6 59 171 A I E -JK 49 75B 0 16,-2.9 16,-2.5 -2,-0.3 2,-0.4 -0.955 23.5-164.7-107.2 128.5 -19.9 5.4 10.1 60 172 A V E -JK 48 74B 1 -12,-2.0 -12,-2.6 -2,-0.5 2,-0.4 -0.925 5.3-173.8-110.2 133.2 -20.9 4.6 6.5 61 173 A C E +JK 47 73B 3 12,-2.6 12,-2.9 -2,-0.4 2,-0.3 -0.976 18.2 142.6-123.3 143.4 -20.4 1.2 4.9 62 174 A N E -J 46 0B 5 -16,-1.7 -16,-2.8 -2,-0.4 2,-0.3 -0.946 39.2-119.9-162.9 179.4 -21.1 0.3 1.3 63 175 A T E - 0 0 4 -2,-0.3 7,-2.2 -18,-0.2 2,-0.5 -0.977 16.3-149.7-133.3 139.4 -20.1 -1.6 -1.8 64 176 A K E +JL 43 69B 51 -21,-2.1 -21,-2.1 -2,-0.3 2,-0.4 -0.974 17.4 179.0-115.0 119.3 -19.1 -0.2 -5.2 65 177 A L E > S- L 0 68B 82 3,-2.4 3,-2.2 -2,-0.5 -23,-0.1 -0.989 70.9 -11.0-121.9 126.9 -19.9 -2.4 -8.3 66 178 A D T 3 S- 0 0 129 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.895 130.3 -54.5 53.9 39.6 -19.1 -1.2 -11.9 67 179 A N T 3 S+ 0 0 102 1,-0.2 2,-0.5 -26,-0.1 -1,-0.3 0.536 116.1 113.5 73.2 12.0 -18.4 2.2 -10.6 68 180 A N E < -L 65 0B 116 -3,-2.2 -3,-2.4 0, 0.0 2,-0.2 -0.935 61.4-134.0-117.7 129.6 -21.8 2.6 -8.8 69 181 A W E -L 64 0B 114 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.599 22.2-148.7 -77.5 146.2 -22.3 2.8 -5.1 70 182 A G - 0 0 41 -7,-2.2 2,-0.4 -2,-0.2 -1,-0.1 0.108 45.1 -39.8 -90.8-159.2 -25.0 0.6 -3.5 71 183 A R - 0 0 161 1,-0.1 -1,-0.2 -9,-0.0 2,-0.1 -0.589 64.4-128.9 -71.8 123.7 -27.3 1.0 -0.5 72 184 A E - 0 0 77 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.428 11.7-152.4 -72.4 148.4 -25.4 2.6 2.4 73 185 A E E -K 61 0B 54 -12,-2.9 -12,-2.6 -2,-0.1 2,-0.4 -0.979 21.4-169.8-116.4 126.3 -25.5 1.0 5.8 74 186 A R E -K 60 0B 110 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.910 11.9-172.0-117.2 142.7 -25.0 3.6 8.6 75 187 A Q E -K 59 0B 43 -16,-2.5 -16,-2.9 -2,-0.4 -2,-0.0 -0.996 18.1-153.6-144.0 150.9 -24.4 3.4 12.2 76 188 A S + 0 0 100 -2,-0.4 2,-0.4 -18,-0.2 -19,-0.1 0.599 65.2 102.9 -88.4 -18.3 -24.3 6.0 14.8 77 189 A V - 0 0 88 29,-0.1 -18,-0.1 -18,-0.1 -2,-0.1 -0.634 51.9-174.7 -73.7 125.6 -22.0 4.4 17.3 78 190 A F + 0 0 23 -2,-0.4 -2,-0.0 1,-0.1 -1,-0.0 -0.899 18.0 174.1-131.8 95.4 -18.7 6.2 16.7 79 191 A P + 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.517 50.9 98.1 -83.1 -6.6 -15.6 4.9 18.7 80 192 A F - 0 0 2 6,-0.0 2,-0.4 21,-0.0 6,-0.1 -0.504 50.3-168.3 -83.3 153.2 -13.0 7.2 17.1 81 193 A E > - 0 0 82 3,-0.2 3,-2.2 -2,-0.2 -55,-0.3 -0.996 30.4-106.1-140.8 129.8 -11.7 10.4 18.6 82 194 A S T 3 S+ 0 0 48 -2,-0.4 -55,-0.2 1,-0.3 -53,-0.0 -0.330 104.3 16.0 -53.5 137.9 -9.6 13.0 16.8 83 195 A G T 3 S+ 0 0 41 -57,-0.9 -1,-0.3 -56,-0.5 -56,-0.1 0.244 103.7 110.5 85.2 -8.3 -6.0 13.0 18.0 84 196 A K < - 0 0 125 -3,-2.2 -58,-2.3 -57,-0.2 -3,-0.2 -0.722 69.3-108.6-111.0 152.0 -6.2 9.5 19.7 85 197 A P E -C 25 0A 93 0, 0.0 2,-0.3 0, 0.0 -60,-0.3 -0.396 39.2-174.7 -69.6 147.5 -4.7 6.1 18.9 86 198 A F E -C 24 0A 10 -62,-2.8 -62,-2.0 -2,-0.1 2,-0.4 -0.937 22.3-148.7-137.7 163.1 -6.9 3.3 17.6 87 199 A K E -C 23 0A 52 -2,-0.3 15,-2.7 -64,-0.2 2,-0.5 -0.994 13.5-168.3-129.5 124.0 -7.0 -0.3 16.7 88 200 A I E -CD 22 101A 1 -66,-2.7 -66,-2.8 -2,-0.4 2,-0.4 -0.960 3.8-171.3-108.0 132.0 -9.3 -1.6 14.0 89 201 A Q E -CD 21 100A 40 11,-2.9 11,-2.5 -2,-0.5 2,-0.5 -0.991 5.0-167.2-120.0 132.1 -9.7 -5.4 13.6 90 202 A V E -CD 20 99A 1 -70,-2.6 -70,-2.9 -2,-0.4 2,-0.5 -0.975 5.7-168.4-115.9 118.0 -11.6 -6.8 10.7 91 203 A L E -CD 19 98A 23 7,-2.9 7,-2.9 -2,-0.5 2,-0.6 -0.924 16.1-139.4-106.6 125.2 -12.5 -10.6 11.1 92 204 A V E + D 0 97A 0 -74,-2.8 -75,-2.7 -2,-0.5 -74,-0.3 -0.783 26.8 179.3 -84.3 120.4 -13.7 -12.3 8.0 93 205 A E - 0 0 51 3,-2.4 3,-0.3 -2,-0.6 -75,-0.0 -0.698 44.2 -93.7-111.7 169.9 -16.6 -14.7 8.9 94 206 A P S S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.848 119.3 18.2 -56.8 -33.1 -18.6 -16.9 6.5 95 207 A D S S+ 0 0 118 1,-0.2 16,-2.0 15,-0.1 2,-0.3 0.440 127.5 17.3-123.1 6.5 -21.4 -14.4 5.9 96 208 A H E - E 0 110A 30 14,-0.3 -3,-2.4 -3,-0.3 2,-0.4 -0.988 68.3-108.0-164.6 156.2 -20.0 -11.1 7.0 97 209 A F E -DE 92 109A 3 12,-2.4 12,-2.4 -2,-0.3 2,-0.5 -0.763 36.0-151.4 -80.1 133.4 -17.1 -8.9 7.8 98 210 A K E -DE 91 108A 62 -7,-2.9 -7,-2.9 -2,-0.4 2,-0.5 -0.950 9.1-160.6-108.9 127.9 -17.0 -8.3 11.6 99 211 A V E +DE 90 107A 0 8,-3.2 7,-2.9 -2,-0.5 8,-1.6 -0.937 10.9 179.5-114.0 130.6 -15.4 -5.0 12.8 100 212 A A E -DE 89 105A 20 -11,-2.5 -11,-2.9 -2,-0.5 2,-0.4 -0.970 9.5-161.1-123.2 140.3 -14.1 -4.3 16.3 101 213 A V E > S-DE 88 104A 4 3,-2.5 3,-1.9 -2,-0.4 -13,-0.2 -0.992 76.5 -7.9-122.6 129.7 -12.5 -1.0 17.3 102 214 A N T 3 S- 0 0 78 -15,-2.7 -1,-0.2 -2,-0.4 -14,-0.1 0.885 131.3 -55.4 53.0 41.2 -10.3 -0.8 20.4 103 215 A D T 3 S+ 0 0 118 -16,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.521 115.8 110.7 71.2 11.8 -11.3 -4.3 21.4 104 216 A A E < S-E 101 0A 59 -3,-1.9 -3,-2.5 -25,-0.0 -1,-0.2 -0.955 74.9-110.0-117.2 133.1 -15.1 -3.6 21.3 105 217 A H E +E 100 0A 113 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.335 39.4 170.5 -56.7 134.9 -17.4 -5.0 18.6 106 218 A L E - 0 0 19 -7,-2.9 2,-0.3 1,-0.4 -6,-0.2 0.791 49.8 -30.8-113.2 -57.9 -18.7 -2.3 16.3 107 219 A L E -E 99 0A 20 -8,-1.6 -8,-3.2 -32,-0.0 -1,-0.4 -0.986 39.7-132.1-159.9 165.4 -20.6 -3.8 13.3 108 220 A Q E -E 98 0A 87 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.971 14.8-160.2-122.1 146.7 -21.1 -6.6 10.9 109 221 A Y E -E 97 0A 1 -12,-2.4 -12,-2.4 -2,-0.4 3,-0.1 -0.979 20.4-130.9-130.7 112.4 -21.4 -6.1 7.1 110 222 A N E -E 96 0A 100 -2,-0.5 2,-0.5 -14,-0.3 -14,-0.3 -0.336 34.8 -98.3 -63.6 141.6 -23.0 -9.0 5.2 111 223 A H + 0 0 18 -16,-2.0 -1,-0.1 1,-0.2 3,-0.1 -0.446 45.3 168.3 -68.0 119.0 -21.0 -10.1 2.1 112 224 A R S S+ 0 0 62 -2,-0.5 2,-0.6 -68,-0.4 -1,-0.2 0.806 72.6 60.2 -93.4 -40.2 -22.4 -8.6 -1.0 113 225 A V S S- 0 0 13 -69,-0.3 -1,-0.1 1,-0.1 6,-0.1 -0.793 71.2-171.6 -88.3 121.1 -19.4 -9.6 -3.2 114 226 A K + 0 0 162 -2,-0.6 2,-1.7 1,-0.2 3,-0.2 0.613 62.2 86.2 -99.4 -13.3 -19.4 -13.4 -2.9 115 227 A K > + 0 0 112 1,-0.2 3,-2.1 2,-0.1 4,-0.3 -0.618 53.1 171.3 -87.1 77.5 -16.1 -14.3 -4.6 116 228 A L G > S+ 0 0 29 -2,-1.7 -102,-2.0 1,-0.3 3,-1.6 0.838 70.2 63.1 -61.2 -33.5 -14.1 -13.8 -1.4 117 229 A N G 3 S+ 0 0 102 -104,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.504 100.2 55.1 -73.2 -0.5 -10.9 -15.3 -3.0 118 230 A E G < S+ 0 0 82 -3,-2.1 2,-1.4 1,-0.1 -78,-0.3 0.433 77.9 96.1-107.2 -0.7 -10.9 -12.3 -5.5 119 231 A I < + 0 0 1 -3,-1.6 -80,-0.2 -4,-0.3 -105,-0.2 -0.711 50.5 152.3 -85.8 86.9 -10.9 -9.6 -2.7 120 232 A S + 0 0 44 -2,-1.4 -110,-2.7 -82,-0.8 2,-0.3 0.279 41.8 54.4-114.6 9.8 -7.2 -9.2 -2.9 121 233 A K E -FH 9 38B 116 -83,-1.1 -83,-3.1 -112,-0.3 2,-0.5 -0.996 52.7-160.7-145.3 141.3 -6.3 -5.7 -1.9 122 234 A L E -FH 8 37B 0 -114,-2.3 -114,-3.0 -2,-0.3 2,-0.4 -0.987 12.0-161.5-119.1 119.1 -7.0 -3.5 1.1 123 235 A G E -FH 7 36B 18 -87,-2.9 -87,-2.5 -2,-0.5 2,-0.5 -0.827 3.3-165.8 -98.0 137.1 -6.6 0.3 0.7 124 236 A I E +FH 6 35B 1 -118,-2.6 -118,-2.7 -2,-0.4 2,-0.3 -0.976 23.1 147.6-123.5 122.4 -6.2 2.4 3.8 125 237 A S E + H 0 34B 26 -91,-2.6 -91,-2.7 -2,-0.5 2,-0.2 -0.902 15.2 69.7-146.1 172.8 -6.6 6.2 3.5 126 238 A G E S- H 0 33B 19 -2,-0.3 2,-1.9 -93,-0.2 -93,-0.3 -0.709 89.1 -20.4 113.6-160.9 -7.8 9.3 5.2 127 239 A D S S+ 0 0 52 -95,-3.2 -100,-2.6 -2,-0.2 2,-0.3 -0.469 95.1 106.0 -93.1 65.9 -6.8 11.5 8.1 128 240 A I E - B 0 26A 3 -2,-1.9 2,-0.5 -102,-0.2 -102,-0.2 -0.932 66.4-128.8-135.7 158.0 -4.6 9.1 10.1 129 241 A D E - B 0 25A 91 -104,-2.8 -104,-2.5 -2,-0.3 2,-0.5 -0.956 36.6-144.0 -98.9 128.0 -1.0 8.3 10.9 130 242 A L E +AB 2 24A 1 -128,-0.6 -128,-1.8 -2,-0.5 -106,-0.3 -0.865 26.3 173.3-101.4 125.5 -0.7 4.7 10.2 131 243 A T E - 0 0 49 -108,-2.7 2,-0.3 -2,-0.5 -107,-0.2 0.808 64.6 -11.6 -97.4 -45.0 1.5 2.6 12.5 132 244 A S E - B 0 23A 39 -109,-1.8 -109,-2.4 -130,-0.1 -1,-0.3 -0.997 46.1-170.9-159.0 151.8 1.0 -1.0 11.3 133 245 A A E + B 0 22A 14 -2,-0.3 2,-0.3 -111,-0.2 -111,-0.2 -0.942 30.3 139.7-146.2 121.5 -1.3 -3.1 9.1 134 246 A S E - B 0 21A 64 -113,-2.2 -113,-2.5 -2,-0.3 2,-0.3 -0.929 31.0-142.3-155.4 172.9 -1.1 -6.9 9.1 135 247 A Y E + B 0 20A 100 -2,-0.3 2,-0.3 -115,-0.2 -115,-0.2 -0.968 14.8 171.9-142.1 160.0 -3.1 -10.0 9.0 136 248 A T E - B 0 19A 82 -117,-2.0 -117,-3.2 -2,-0.3 2,-0.4 -0.943 33.0-108.1-154.8 168.4 -3.1 -13.5 10.5 137 249 A M E B 0 18A 100 -2,-0.3 -119,-0.2 -119,-0.2 -120,-0.1 -0.899 360.0 360.0 -99.5 136.9 -5.3 -16.6 10.7 138 250 A I 0 0 117 -121,-2.6 -120,-0.1 -2,-0.4 -1,-0.1 0.414 360.0 360.0-111.7 360.0 -7.1 -17.4 13.9