==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 22-JUL-09 3IED . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.C.PIZARRO,A.K.WERNIMONT,J.LEW,A.HUTCHINSON,J.D.ARTZ,M.F.AM . 224 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 0.9 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 2 0 3 0 1 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 . 1 0 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 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 89 A R 0 0 151 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.0 28.1 46.0 -17.9 2 90 A E - 0 0 191 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.895 360.0-179.9-112.6 101.7 26.4 43.4 -15.7 3 91 A N - 0 0 138 -2,-0.6 2,-0.4 7,-0.0 0, 0.0 -0.860 18.1-142.4-101.1 136.8 24.5 44.9 -12.8 4 92 A L - 0 0 118 -2,-0.4 7,-3.0 7,-0.4 2,-0.3 -0.800 16.5-174.0-107.7 135.1 22.8 42.4 -10.5 5 93 A Y E -A 10 0A 145 -2,-0.4 2,-0.3 5,-0.3 167,-0.0 -0.937 5.0-177.1-123.5 150.4 19.5 42.8 -8.7 6 94 A F E > S-A 9 0A 83 3,-2.5 3,-1.9 -2,-0.3 167,-0.1 -0.977 73.9 -10.5-145.7 132.4 17.7 40.6 -6.2 7 95 A Q T 3 S- 0 0 73 -2,-0.3 168,-0.6 1,-0.3 169,-0.3 0.768 131.9 -49.0 45.6 34.4 14.2 41.2 -4.7 8 96 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 166,-0.1 166,-0.1 0.378 119.2 90.5 98.9 -3.3 14.2 44.7 -6.2 9 97 A S E < S-A 6 0A 11 -3,-1.9 -3,-2.5 164,-0.3 -1,-0.2 -0.933 80.6 -96.4-129.7 151.6 17.6 46.0 -5.1 10 98 A P E -A 5 0A 78 0, 0.0 2,-0.5 0, 0.0 163,-0.4 -0.270 39.9-128.4 -60.0 146.3 21.1 46.1 -6.5 11 99 A V - 0 0 25 -7,-3.0 2,-0.6 161,-0.1 -7,-0.4 -0.897 14.6-156.2-104.6 124.6 23.3 43.3 -5.2 12 100 A E E -B 171 0B 60 159,-2.9 159,-2.5 -2,-0.5 2,-0.4 -0.890 10.9-161.5 -99.2 118.9 26.7 44.2 -3.8 13 101 A K E -B 170 0B 138 -2,-0.6 2,-0.4 157,-0.2 157,-0.2 -0.840 6.7-171.2-102.7 135.9 29.2 41.4 -3.9 14 102 A Y E -B 169 0B 77 155,-2.5 155,-2.1 -2,-0.4 2,-0.3 -0.962 16.5-130.1-127.0 143.6 32.3 41.3 -1.7 15 103 A N E -B 168 0B 124 -2,-0.4 153,-0.3 153,-0.2 2,-0.2 -0.703 15.2-133.4 -92.7 142.2 35.3 39.0 -1.7 16 104 A F - 0 0 13 151,-2.7 2,-0.5 -2,-0.3 92,-0.1 -0.559 45.3 -84.9 -77.0 154.6 36.7 37.3 1.4 17 105 A K > - 0 0 159 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.538 47.2-136.3 -56.3 116.3 40.4 37.4 1.9 18 106 A A H > S+ 0 0 79 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.880 96.9 49.4 -51.1 -51.7 41.3 34.4 -0.3 19 107 A E H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.953 112.5 47.9 -55.7 -51.2 43.8 32.7 2.0 20 108 A V H > S+ 0 0 31 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.902 109.6 53.0 -57.2 -43.3 41.5 32.9 5.0 21 109 A N H X S+ 0 0 15 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.890 106.8 55.2 -58.4 -38.8 38.6 31.5 3.0 22 110 A K H X S+ 0 0 134 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.932 113.2 38.6 -59.4 -49.4 40.8 28.6 2.0 23 111 A V H X S+ 0 0 46 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.814 111.7 57.2 -76.5 -31.1 41.6 27.7 5.6 24 112 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 5,-0.3 0.908 103.2 56.6 -64.0 -40.4 38.1 28.4 6.9 25 113 A D H X S+ 0 0 74 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.914 105.6 51.7 -53.4 -44.4 36.9 25.9 4.3 26 114 A I H X S+ 0 0 92 -4,-1.1 4,-0.8 1,-0.2 -1,-0.2 0.904 111.6 44.0 -63.4 -42.7 39.2 23.3 5.9 27 115 A I H < S+ 0 0 3 -4,-1.8 104,-0.2 2,-0.2 -1,-0.2 0.822 117.1 42.3 -79.1 -29.9 38.0 23.7 9.4 28 116 A V H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.749 123.3 38.7 -86.1 -23.3 34.3 23.8 8.8 29 117 A N H < S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.433 90.2 121.7-104.0 -2.3 34.4 21.0 6.3 30 118 A S >< - 0 0 26 -4,-0.8 3,-0.5 98,-0.2 2,-0.1 -0.217 66.3-115.1 -54.9 146.2 36.9 18.9 8.2 31 119 A L T 3 S+ 0 0 128 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.375 95.1 36.1 -70.7 164.1 36.0 15.4 9.2 32 120 A Y T 3 S+ 0 0 200 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.748 82.8 141.8 64.3 28.1 35.8 14.6 12.9 33 121 A T < - 0 0 24 -3,-0.5 2,-1.3 -5,-0.1 -1,-0.2 -0.624 62.4-115.7 -92.3 159.4 34.3 18.0 13.9 34 122 A D > + 0 0 73 95,-0.4 3,-1.6 -2,-0.2 4,-0.2 -0.679 38.3 178.6 -89.6 81.7 31.7 18.6 16.6 35 123 A K T > + 0 0 48 -2,-1.3 3,-1.6 1,-0.3 4,-0.2 0.737 65.6 75.9 -62.5 -24.7 29.1 19.9 14.1 36 124 A D T >> S+ 0 0 22 1,-0.3 3,-1.6 2,-0.1 4,-0.6 0.773 76.5 76.7 -55.7 -30.3 26.4 20.4 16.8 37 125 A V H <> S+ 0 0 0 -3,-1.6 4,-2.4 1,-0.3 3,-0.3 0.678 70.6 83.3 -63.2 -17.0 28.1 23.5 18.2 38 126 A F H <> S+ 0 0 0 -3,-1.6 4,-2.3 1,-0.3 -1,-0.3 0.894 93.0 48.4 -52.0 -39.0 26.8 25.6 15.4 39 127 A L H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.2 -1,-0.3 0.832 107.6 54.5 -73.5 -33.2 23.6 26.0 17.3 40 128 A R H X S+ 0 0 68 -4,-0.6 4,-1.9 -3,-0.3 -1,-0.2 0.922 110.9 46.7 -59.3 -45.4 25.5 26.9 20.5 41 129 A E H X S+ 0 0 16 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.913 113.4 45.8 -69.6 -43.3 27.2 29.7 18.6 42 130 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.868 113.0 49.8 -70.3 -36.4 24.1 31.1 17.0 43 131 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.875 109.1 54.0 -67.8 -35.3 22.1 31.0 20.1 44 132 A S H X S+ 0 0 45 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.895 110.4 45.7 -63.5 -41.5 24.9 32.7 21.9 45 133 A N H X S+ 0 0 63 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.846 111.0 53.0 -69.8 -34.4 24.9 35.5 19.3 46 134 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.904 109.4 49.0 -69.1 -39.2 21.1 35.8 19.5 47 135 A S H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 3,-0.3 0.944 111.1 48.9 -65.1 -47.6 21.3 36.2 23.3 48 136 A D H X S+ 0 0 90 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.910 109.1 54.4 -55.5 -43.7 24.0 38.9 23.0 49 137 A A H X S+ 0 0 16 -4,-2.3 46,-2.0 1,-0.2 4,-1.7 0.839 110.0 46.0 -61.8 -34.8 21.9 40.7 20.4 50 138 A C H X S+ 0 0 0 -4,-1.6 4,-2.9 44,-0.3 -2,-0.2 0.892 111.4 52.1 -74.0 -41.8 18.9 40.7 22.8 51 139 A D H X S+ 0 0 49 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.899 109.4 50.0 -56.3 -44.9 21.1 41.9 25.7 52 140 A K H X S+ 0 0 99 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.933 111.5 48.4 -62.1 -45.6 22.4 44.8 23.5 53 141 A K H X S+ 0 0 28 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.953 111.7 49.4 -58.4 -49.5 18.9 45.7 22.6 54 142 A R H X S+ 0 0 71 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.947 112.6 47.0 -58.0 -48.8 17.7 45.7 26.2 55 143 A I H X S+ 0 0 74 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 113.6 46.9 -60.7 -48.1 20.6 47.8 27.4 56 144 A I H X S+ 0 0 62 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.882 111.0 52.7 -63.4 -37.8 20.3 50.4 24.6 57 145 A L H X S+ 0 0 45 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.924 108.8 50.2 -62.1 -44.4 16.5 50.7 25.1 58 146 A E H X S+ 0 0 90 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.944 112.5 46.0 -60.6 -47.3 17.0 51.3 28.8 59 147 A N H X S+ 0 0 86 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.907 110.2 54.5 -61.9 -41.4 19.5 54.0 28.1 60 148 A N H X S+ 0 0 74 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.929 107.5 50.4 -56.2 -47.3 17.2 55.6 25.5 61 149 A K H X S+ 0 0 117 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.920 106.1 55.0 -58.8 -47.1 14.4 55.8 28.0 62 150 A L H X S+ 0 0 111 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.936 113.8 41.3 -50.7 -49.1 16.6 57.5 30.5 63 151 A I H X S+ 0 0 127 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.837 112.7 53.4 -73.9 -32.8 17.5 60.2 28.0 64 152 A K H < S+ 0 0 145 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.914 111.2 48.0 -65.3 -41.8 13.9 60.4 26.7 65 153 A D H < S+ 0 0 97 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.976 106.8 53.0 -61.3 -58.6 12.6 61.0 30.2 66 154 A A H < S- 0 0 80 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.749 92.9-172.4 -52.2 -25.3 15.1 63.7 31.2 67 155 A E < 0 0 59 -4,-0.9 -2,-0.1 -3,-0.2 -1,-0.1 0.029 360.0 360.0 56.8-172.0 14.1 65.6 28.1 68 156 A V 0 0 196 -4,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.170 360.0 360.0 154.3 360.0 16.0 68.7 27.1 69 ! 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 70 180 A N > 0 0 192 0, 0.0 3,-1.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-102.7 8.3 48.0 27.4 71 181 A D G > + 0 0 96 1,-0.3 3,-1.1 2,-0.2 4,-0.2 0.267 360.0 102.1 -81.6 13.8 8.9 45.3 24.8 72 182 A I G > S+ 0 0 47 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.791 79.1 61.3 -60.1 -24.0 12.1 44.2 26.6 73 183 A K G < S+ 0 0 94 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.735 93.8 60.7 -72.7 -23.8 9.7 41.5 27.8 74 184 A K G < S+ 0 0 56 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.2 0.472 72.8 128.6 -84.6 1.2 9.1 40.4 24.2 75 185 A L < + 0 0 5 -3,-1.0 2,-0.3 -4,-0.2 19,-0.1 -0.393 34.8 153.1 -65.2 121.5 12.8 39.5 23.7 76 186 A I - 0 0 34 -2,-0.3 17,-1.0 144,-0.1 2,-0.4 -0.987 42.1-136.7-152.5 153.0 13.0 36.0 22.4 77 187 A I E -Cd 92 222B 0 144,-2.4 146,-3.0 -2,-0.3 2,-0.4 -0.955 25.1-163.6-113.9 132.5 15.0 33.5 20.4 78 188 A K E -Cd 91 223B 59 13,-3.1 13,-2.9 -2,-0.4 2,-0.4 -0.951 9.7-166.1-124.7 138.8 13.2 31.2 17.9 79 189 A I E +Cd 90 224B 0 144,-3.1 146,-2.6 -2,-0.4 11,-0.2 -0.994 10.9 177.5-127.2 124.9 14.3 28.1 16.1 80 190 A K E -C 89 0B 82 9,-2.1 9,-2.6 -2,-0.4 2,-0.2 -0.966 11.1-162.4-133.1 106.8 12.3 26.6 13.1 81 191 A P E -C 88 0B 20 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.598 1.1-166.3 -80.5 151.1 13.2 23.6 11.1 82 192 A D E >> -C 87 0B 54 5,-2.3 5,-2.0 -2,-0.2 4,-1.0 -0.828 3.7-173.4-139.8 98.2 11.6 23.1 7.7 83 193 A K T 45S+ 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.818 82.7 55.9 -63.5 -32.6 12.1 19.6 6.4 84 194 A E T 45S+ 0 0 170 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.879 117.1 33.9 -73.0 -36.0 10.6 20.2 3.0 85 195 A K T 45S- 0 0 149 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.495 105.6-126.7 -91.7 -5.2 13.0 23.1 2.2 86 196 A K T <5 + 0 0 94 -4,-1.0 108,-2.0 1,-0.2 2,-0.4 0.878 64.2 135.5 58.7 39.6 15.9 21.5 4.1 87 197 A T E < -CE 82 193B 12 -5,-2.0 -5,-2.3 106,-0.2 2,-0.4 -0.930 44.8-161.3-122.3 145.8 16.3 24.7 6.2 88 198 A L E -CE 81 192B 0 104,-2.1 104,-3.3 -2,-0.4 2,-0.5 -0.995 18.0-161.6-119.4 126.1 16.9 25.5 9.8 89 199 A T E -CE 80 191B 16 -9,-2.6 -9,-2.1 -2,-0.4 2,-0.5 -0.919 10.2-169.2-115.9 126.3 16.1 29.1 10.8 90 200 A I E -CE 79 190B 4 100,-2.5 100,-3.0 -2,-0.5 2,-0.4 -0.968 15.6-178.0-113.7 123.9 17.2 30.9 14.0 91 201 A T E -CE 78 189B 19 -13,-2.9 -13,-3.1 -2,-0.5 2,-0.3 -0.935 10.8-179.9-125.9 137.2 15.6 34.2 14.7 92 202 A D E -CE 77 188B 12 96,-2.4 96,-1.8 -2,-0.4 -15,-0.2 -0.936 26.9-145.7-125.9 158.7 16.0 36.9 17.3 93 203 A N + 0 0 43 -17,-1.0 94,-0.2 -2,-0.3 93,-0.2 -0.186 64.5 122.4-108.9 38.9 14.2 40.2 17.9 94 204 A G S S- 0 0 0 94,-0.1 -44,-0.3 -18,-0.1 -45,-0.1 0.226 82.4 -53.6 -83.9-151.8 17.4 41.7 19.2 95 205 A I - 0 0 22 -46,-2.0 92,-0.2 1,-0.1 -45,-0.1 0.793 69.6-160.0 -63.2 -33.8 19.4 44.7 18.1 96 206 A G - 0 0 2 90,-0.2 2,-0.3 92,-0.0 58,-0.2 -0.122 16.2 -95.8 73.3 178.6 19.8 43.7 14.5 97 207 A M - 0 0 33 90,-0.4 57,-0.3 62,-0.1 62,-0.2 -0.991 21.5-136.9-134.5 144.7 22.5 45.1 12.1 98 208 A D > - 0 0 51 -2,-0.3 4,-2.5 55,-0.1 5,-0.2 -0.423 43.8 -90.1 -87.8 173.1 22.5 47.9 9.5 99 209 A K H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 126.4 48.2 -49.8 -47.2 24.1 47.5 6.1 100 210 A S H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.915 112.2 45.8 -65.4 -46.6 27.5 48.7 7.4 101 211 A E H >>S+ 0 0 36 1,-0.2 4,-3.4 2,-0.2 5,-0.6 0.869 111.9 55.6 -61.2 -36.1 27.7 46.5 10.4 102 212 A L H X5S+ 0 0 0 -4,-2.5 4,-0.8 3,-0.2 5,-0.4 0.887 111.8 40.5 -67.9 -40.8 26.5 43.6 8.3 103 213 A I H <5S+ 0 0 27 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.893 125.7 35.5 -73.8 -41.0 29.4 44.0 5.8 104 214 A N H <5S+ 0 0 108 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.885 123.6 40.7 -84.3 -39.0 32.0 44.8 8.3 105 215 A N H ><5S+ 0 0 84 -4,-3.4 3,-0.5 -5,-0.3 -3,-0.2 0.971 131.6 22.9 -72.6 -57.4 30.9 42.5 11.2 106 216 A L T 3< - 0 0 81 -2,-2.8 4,-1.1 25,-0.2 5,-0.1 0.114 56.9 -81.4 -74.9-157.8 36.9 37.1 14.1 112 222 A S H > S+ 0 0 103 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.967 128.0 34.0 -74.8 -55.6 38.2 36.8 17.6 113 223 A G H > S+ 0 0 13 22,-0.4 4,-2.7 2,-0.2 23,-0.2 0.886 119.5 50.2 -69.9 -41.7 37.7 33.1 18.3 114 224 A T H > S+ 0 0 0 22,-0.3 4,-2.8 -5,-0.2 5,-0.2 0.936 112.1 47.8 -62.2 -46.5 38.3 32.0 14.7 115 225 A A H X S+ 0 0 41 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.906 111.4 52.0 -60.3 -43.4 41.6 34.0 14.6 116 226 A K H X S+ 0 0 121 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.974 111.8 45.5 -53.6 -59.2 42.6 32.5 17.9 117 227 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.3 0.948 112.3 50.5 -49.7 -59.3 41.9 28.9 16.7 118 228 A L H X S+ 0 0 17 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.859 109.5 51.7 -50.1 -41.6 43.7 29.4 13.4 119 229 A K H X S+ 0 0 35 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.903 109.7 48.8 -66.4 -40.7 46.8 30.8 15.2 120 230 A Q H <>S+ 0 0 54 -4,-2.1 5,-3.7 -3,-0.3 6,-0.7 0.949 111.6 48.9 -64.7 -48.8 47.0 27.8 17.6 121 231 A I H ><5S+ 0 0 46 -4,-2.7 3,-2.4 4,-0.3 -2,-0.2 0.970 112.4 49.9 -48.3 -55.6 46.7 25.4 14.7 122 232 A E H 3<5S+ 0 0 153 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.864 111.5 47.3 -54.4 -39.7 49.4 27.4 13.0 123 233 A E T 3<5S- 0 0 159 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.350 118.7-113.2 -85.7 7.7 51.6 27.3 16.1 124 234 A G T < 5S+ 0 0 69 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.762 87.2 117.0 68.9 27.2 50.9 23.6 16.3 125 235 A K S - 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