==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRIOSEPHOSPHATE ISOMERASE 22-DEC-93 1TPH . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Z.ZHANG,S.SUGIO,E.A.KOMIVES,K.D.LIU,J.R.KNOWLES,G.A.PETSKO, . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 7 4 3 0 0 0 0 0 6 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 3 5 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 PARALLEL 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 4 1 R 0 0 125 0, 0.0 2,-0.2 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 124.1 29.5 25.1 -0.3 2 5 1 K - 0 0 106 198,-0.2 32,-0.1 1,-0.1 2,-0.1 -0.493 360.0-107.0 -73.2 133.0 27.9 28.5 -0.0 3 6 1 F E -a 34 0A 15 30,-0.8 32,-3.1 -2,-0.2 2,-0.4 -0.475 39.3-157.2 -61.2 133.1 28.8 30.3 3.2 4 7 1 F E -ab 35 225A 0 220,-2.5 222,-1.4 30,-0.2 2,-0.5 -0.979 15.8-179.1-125.7 121.7 25.9 30.3 5.6 5 8 1 V E -ab 36 226A 0 30,-2.9 32,-1.4 -2,-0.4 2,-0.4 -0.982 5.5-176.7-124.2 120.3 25.2 32.8 8.4 6 9 1 G E -ab 37 227A 2 220,-2.4 222,-3.5 -2,-0.5 2,-0.5 -0.895 15.5-148.5-111.6 140.1 22.1 32.4 10.6 7 10 1 G E -ab 38 228A 1 30,-2.9 32,-3.6 -2,-0.4 2,-0.7 -0.970 6.0-159.0-110.5 129.1 21.1 34.8 13.5 8 11 1 N E -a 39 0A 3 220,-3.3 224,-0.2 -2,-0.5 32,-0.1 -0.913 7.4-174.9-106.2 94.5 19.3 33.1 16.4 9 12 1 W - 0 0 1 30,-2.0 31,-0.1 -2,-0.7 -1,-0.1 0.668 18.9-171.9 -65.6 -18.0 17.4 36.0 18.1 10 13 1 K - 0 0 18 29,-0.3 2,-1.1 1,-0.2 306,-0.2 -0.305 61.3 -21.4 56.4-144.7 16.3 33.5 20.8 11 14 1 M B S+I 315 0B 0 304,-2.1 304,-1.8 307,-0.1 2,-0.3 -0.628 108.9 113.2 -98.8 71.0 13.7 35.1 23.2 12 15 1 N + 0 0 28 -2,-1.1 2,-0.1 302,-0.2 302,-0.1 -0.989 42.0 35.9-141.8 149.1 14.5 38.8 22.5 13 16 1 G - 0 0 21 -2,-0.3 2,-0.3 27,-0.1 220,-0.0 -0.218 43.3-135.1 100.9 168.5 12.9 41.8 20.9 14 17 1 D > - 0 0 65 -2,-0.1 4,-2.4 314,-0.1 5,-0.4 -0.785 48.3 -87.7-146.6 175.8 9.7 43.7 20.3 15 18 1 K H > S+ 0 0 56 -2,-0.3 4,-1.0 2,-0.2 5,-0.1 0.830 126.1 52.6 -67.5 -29.2 8.4 45.2 17.1 16 19 1 K H > S+ 0 0 156 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.962 115.7 36.8 -69.1 -50.3 10.3 48.5 17.7 17 20 1 S H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.873 120.3 46.0 -69.7 -40.8 13.7 46.9 18.3 18 21 1 L H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.829 108.9 58.8 -71.5 -29.5 13.4 44.1 15.7 19 22 1 G H X S+ 0 0 25 -4,-1.0 4,-1.8 -5,-0.4 -2,-0.2 0.912 108.5 43.8 -64.7 -40.7 12.1 46.7 13.3 20 23 1 E H X S+ 0 0 119 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.900 112.3 52.2 -69.5 -42.0 15.3 48.8 13.6 21 24 1 L H X S+ 0 0 19 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.927 111.7 47.7 -58.2 -47.0 17.5 45.7 13.4 22 25 1 I H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.903 108.0 53.8 -63.1 -42.4 15.7 44.7 10.2 23 26 1 H H X S+ 0 0 149 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.902 110.0 49.2 -57.5 -45.5 16.0 48.2 8.7 24 27 1 T H X S+ 0 0 65 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.925 112.0 48.1 -59.7 -50.3 19.8 48.0 9.3 25 28 1 L H < S+ 0 0 4 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.873 108.1 53.2 -61.1 -41.4 20.0 44.6 7.6 26 29 1 N H < S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 116.3 41.1 -64.9 -28.6 18.0 45.6 4.6 27 30 1 G H < S+ 0 0 67 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.535 92.6 106.1 -95.4 -13.5 20.3 48.5 4.0 28 31 1 A S < S- 0 0 19 -4,-1.3 2,-1.2 -3,-0.3 -3,-0.0 -0.181 77.5-115.0 -68.7 156.9 23.7 46.9 4.8 29 32 1 K - 0 0 151 3,-0.0 2,-0.4 213,-0.0 -1,-0.1 -0.784 46.7-178.4 -95.4 93.1 26.2 45.9 2.2 30 33 1 L - 0 0 47 -2,-1.2 209,-0.1 -5,-0.1 212,-0.1 -0.809 34.9 -93.3 -98.1 142.2 26.0 42.1 2.6 31 34 1 S > - 0 0 13 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 -0.254 22.7-140.5 -56.8 133.1 28.2 39.7 0.7 32 35 1 A T 3 S+ 0 0 92 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.683 101.9 57.6 -65.7 -17.2 26.5 38.4 -2.4 33 36 1 D T 3 S+ 0 0 115 2,-0.0 -30,-0.8 -31,-0.0 2,-0.5 0.380 87.1 88.8 -99.9 5.9 28.0 35.1 -1.6 34 37 1 T E < -a 3 0A 13 -3,-1.7 2,-0.6 -32,-0.1 -30,-0.2 -0.945 65.9-143.8-109.0 133.1 26.6 34.6 1.9 35 38 1 E E -a 4 0A 55 -32,-3.1 -30,-2.9 -2,-0.5 2,-0.4 -0.767 25.5-162.2 -90.1 121.6 23.2 32.9 2.5 36 39 1 V E +a 5 0A 9 -2,-0.6 21,-2.6 19,-0.4 2,-0.3 -0.930 15.4 176.6-114.1 138.3 21.6 34.7 5.4 37 40 1 V E -ac 6 57A 3 -32,-1.4 -30,-2.9 -2,-0.4 2,-0.5 -0.986 15.0-152.9-136.9 133.9 18.7 33.4 7.7 38 41 1 C E -ac 7 58A 1 19,-2.5 21,-2.4 -2,-0.3 2,-0.8 -0.978 9.0-148.0-111.1 127.4 17.2 35.2 10.7 39 42 1 G E -ac 8 59A 1 -32,-3.6 -30,-2.0 -2,-0.5 -29,-0.3 -0.878 24.8-172.3 -99.6 101.8 15.6 33.0 13.4 40 43 1 A - 0 0 0 19,-1.5 21,-0.5 -2,-0.8 5,-0.2 -0.613 33.4 -93.3 -99.1 151.6 12.7 35.1 15.0 41 44 1 P > - 0 0 1 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.342 43.9-115.1 -53.4 144.0 10.4 34.4 18.0 42 45 1 S G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.864 115.4 62.0 -55.7 -38.8 7.3 32.7 16.6 43 46 1 I G 3 S+ 0 0 2 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.717 112.3 38.5 -58.8 -24.8 5.1 35.7 17.6 44 47 1 Y G <> S+ 0 0 0 -3,-1.6 4,-2.9 2,-0.1 -1,-0.3 0.376 82.7 100.8-110.8 9.8 7.2 37.7 15.2 45 48 1 L H <> S+ 0 0 0 -3,-1.6 4,-2.5 -4,-0.4 5,-0.2 0.883 87.3 46.9 -61.3 -42.1 7.8 35.4 12.2 46 49 1 D H > S+ 0 0 14 -4,-0.5 4,-2.4 243,-0.3 -1,-0.2 0.973 114.8 47.1 -61.8 -48.4 5.0 37.0 10.1 47 50 1 F H > S+ 0 0 20 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 114.0 47.3 -56.9 -51.8 6.3 40.5 11.0 48 51 1 A H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.884 112.0 49.4 -61.6 -40.5 9.9 39.6 10.2 49 52 1 R H < S+ 0 0 46 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.9 49.0 -67.5 -38.4 9.0 37.9 6.9 50 53 1 Q H < S+ 0 0 127 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.842 118.9 39.0 -66.8 -38.6 7.0 40.9 5.8 51 54 1 K H < S+ 0 0 115 -4,-2.1 2,-0.2 -5,-0.2 -2,-0.2 0.796 97.0 84.5 -84.9 -37.1 9.8 43.4 6.7 52 55 1 L S < S- 0 0 7 -4,-2.8 -29,-0.1 -5,-0.2 6,-0.0 -0.458 89.2 -98.5 -73.6 145.7 13.0 41.6 5.7 53 56 1 D > - 0 0 70 -31,-0.2 3,-2.5 -2,-0.2 -1,-0.1 -0.225 34.3-117.8 -55.4 140.1 14.3 41.8 2.1 54 57 1 A T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.749 111.9 70.0 -56.2 -26.5 13.3 38.6 0.2 55 58 1 K T 3 S+ 0 0 189 2,-0.1 2,-0.5 -20,-0.0 -19,-0.4 0.677 90.0 72.4 -67.4 -18.7 17.0 37.8 -0.2 56 59 1 I S < S- 0 0 9 -3,-2.5 -19,-0.2 -21,-0.1 2,-0.1 -0.866 81.6-137.1-102.6 128.6 17.2 37.1 3.6 57 60 1 G E -c 37 0A 15 -21,-2.6 -19,-2.5 -2,-0.5 2,-0.4 -0.383 7.8-140.7 -83.5 158.6 15.6 33.9 4.8 58 61 1 V E -c 38 0A 1 -21,-0.2 28,-2.0 26,-0.2 29,-1.2 -0.984 15.7-167.5-119.8 135.7 13.4 33.6 7.9 59 62 1 A E -cd 39 87A 0 -21,-2.4 -19,-1.5 -2,-0.4 29,-0.3 -0.910 18.0-132.8-124.6 143.1 13.6 30.6 10.3 60 63 1 A E - d 0 88A 0 27,-2.1 29,-1.8 -2,-0.4 3,-0.1 -0.664 19.7-132.6 -83.1 156.6 11.3 29.5 13.1 61 64 1 Q S S- 0 0 5 -21,-0.5 2,-0.3 -2,-0.2 31,-0.2 0.423 79.4 -9.5 -92.4 -5.3 13.1 28.6 16.4 62 65 1 N - 0 0 15 28,-0.1 2,-0.3 257,-0.1 -1,-0.2 -0.929 59.6-176.4-177.0 167.2 11.2 25.3 16.9 63 66 1 C - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.932 25.8-111.0-166.6 166.4 8.2 23.3 15.6 64 67 1 Y - 0 0 19 11,-2.7 -2,-0.0 -2,-0.3 49,-0.0 -0.414 30.5-107.8 -99.4 178.1 6.3 20.2 16.5 65 68 1 K S S+ 0 0 59 -2,-0.1 11,-0.1 11,-0.1 3,-0.0 0.205 90.1 53.5-101.9 20.1 6.1 16.9 14.5 66 69 1 V S S- 0 0 51 1,-0.0 -2,-0.2 3,-0.0 12,-0.1 -0.915 81.2-117.5-142.2 160.0 2.5 16.8 13.0 67 70 1 P S S- 0 0 65 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.758 87.0 -13.4 -71.0 -30.4 0.7 19.3 10.9 68 71 1 K S S+ 0 0 141 7,-0.1 2,-0.3 190,-0.1 190,-0.2 -0.981 76.1 98.0-164.7 166.9 -2.1 19.9 13.5 69 72 1 G B S-J 257 0C 18 188,-2.0 188,-1.9 -2,-0.3 2,-1.8 -0.912 73.8 -25.9 145.3-168.3 -3.8 18.7 16.6 70 73 1 A S S+ 0 0 45 -2,-0.3 2,-0.3 186,-0.2 186,-0.1 -0.525 77.1 124.5 -87.2 70.0 -4.2 19.1 20.3 71 74 1 F > - 0 0 45 -2,-1.8 3,-2.0 3,-0.1 -1,-0.1 -0.768 49.5-154.2-130.4 78.5 -0.8 20.4 21.2 72 75 1 T T 3 S+ 0 0 0 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.339 80.8 20.2 -55.6 125.6 -1.6 23.7 23.1 73 76 1 G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 183,-0.1 2,-0.2 0.212 101.7 108.3 95.5 -13.2 1.5 26.0 22.7 74 77 1 E < - 0 0 13 -3,-2.0 2,-0.3 233,-0.1 -1,-0.3 -0.611 49.3-154.2 -99.3 162.8 3.1 24.4 19.6 75 78 1 I - 0 0 12 -2,-0.2 -11,-2.7 -3,-0.1 -7,-0.1 -0.927 14.3-141.0-128.7 149.7 3.4 25.4 15.9 76 79 1 S >> - 0 0 0 -2,-0.3 4,-1.8 -13,-0.2 3,-0.8 -0.718 27.2-108.4-111.8 160.5 3.8 23.1 12.9 77 80 1 P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.852 118.4 61.2 -52.7 -43.2 5.8 23.3 9.7 78 81 1 A H 3> S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -10,-0.1 0.888 106.6 44.2 -56.4 -37.0 2.6 23.9 7.8 79 82 1 M H <> S+ 0 0 3 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.866 111.6 53.8 -72.7 -41.2 2.0 27.1 9.8 80 83 1 I H X>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 4,-0.6 0.888 111.3 45.0 -60.8 -42.4 5.7 28.1 9.3 81 84 1 K H ><5S+ 0 0 104 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.873 106.2 61.9 -68.7 -37.6 5.3 27.7 5.5 82 85 1 D H 3<5S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.2 46.5 -54.9 -39.5 2.0 29.6 5.6 83 86 1 I H 3<5S- 0 0 13 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.557 121.8-109.3 -78.5 -19.3 3.8 32.7 6.9 84 87 1 G T <<5 + 0 0 38 -3,-0.9 2,-0.2 -4,-0.6 -26,-0.2 0.642 69.0 143.4 94.5 19.6 6.5 32.3 4.3 85 88 1 A < - 0 0 6 -5,-2.2 -1,-0.3 1,-0.1 -26,-0.2 -0.593 32.5-163.9 -82.9 151.9 9.4 31.2 6.5 86 89 1 A + 0 0 44 -28,-2.0 33,-2.8 -2,-0.2 2,-0.3 0.454 60.0 45.9-121.1 1.8 11.6 28.6 4.8 87 90 1 W E -de 59 119A 22 -29,-1.2 -27,-2.1 31,-0.2 2,-0.3 -0.898 53.9-158.7-139.5 163.1 13.6 27.1 7.7 88 91 1 V E -de 60 120A 0 31,-1.3 33,-2.3 -2,-0.3 2,-0.6 -0.975 18.8-135.0-142.9 143.4 13.3 25.8 11.2 89 92 1 I E - e 0 121A 3 -29,-1.8 2,-0.4 -2,-0.3 33,-0.2 -0.861 32.2-176.8 -97.5 118.9 16.0 25.4 13.9 90 93 1 L E + e 0 122A 0 31,-2.6 33,-2.4 -2,-0.6 -28,-0.1 -0.976 55.4 18.2-124.0 144.1 15.7 22.0 15.5 91 94 1 G S S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.516 74.2 174.3 76.9 16.1 17.7 20.4 18.4 92 95 1 H >> - 0 0 2 -31,-0.2 4,-2.6 1,-0.1 3,-1.1 -0.117 43.6-113.3 -52.8 142.4 19.0 23.7 19.8 93 96 1 S H 3> S+ 0 0 15 1,-0.3 4,-3.2 2,-0.2 5,-0.4 0.830 117.2 54.4 -43.9 -46.2 20.9 23.2 23.1 94 97 1 E H 3>>S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 5,-1.5 0.860 108.5 49.1 -66.6 -33.2 18.3 25.2 25.0 95 98 1 R H <45S+ 0 0 9 -3,-1.1 6,-2.5 3,-0.2 -2,-0.2 0.886 116.9 43.3 -69.9 -39.6 15.5 22.8 23.7 96 99 1 R H <5S+ 0 0 22 -4,-2.6 4,-0.4 4,-0.2 -2,-0.2 0.978 127.3 24.9 -65.9 -56.0 17.7 19.8 24.7 97 100 1 H H <5S+ 0 0 77 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.699 130.9 33.4 -90.3 -21.5 18.9 20.9 28.1 98 101 1 V T <5S+ 0 0 74 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.818 130.9 30.9 -97.3 -44.0 16.3 23.4 29.4 99 102 1 F S - 0 0 62 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.328 21.0-110.8 -80.6 161.8 15.2 14.0 23.4 103 106 1 D H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 119.1 55.6 -54.3 -44.2 17.1 12.8 20.4 104 107 1 E H > S+ 0 0 139 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.930 109.7 45.1 -59.5 -45.3 14.1 10.6 19.4 105 108 1 L H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 111.9 51.7 -64.6 -44.2 11.8 13.6 19.4 106 109 1 I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.894 107.6 52.8 -60.3 -40.5 14.2 15.8 17.5 107 110 1 G H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.870 109.2 49.4 -63.8 -35.7 14.6 13.1 14.8 108 111 1 Q H X S+ 0 0 61 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.884 110.7 49.8 -70.9 -37.6 10.8 13.0 14.4 109 112 1 K H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.930 110.3 51.9 -65.8 -43.0 10.6 16.8 14.1 110 113 1 V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.947 109.8 47.6 -57.8 -50.4 13.4 16.8 11.5 111 114 1 A H X S+ 0 0 37 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.899 115.0 46.3 -59.8 -38.5 11.6 14.1 9.4 112 115 1 H H X S+ 0 0 28 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.944 111.0 51.0 -72.1 -41.1 8.3 16.0 9.5 113 116 1 A H <>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.2 4,-0.2 0.907 112.6 46.3 -63.8 -37.5 9.8 19.4 8.7 114 117 1 L H ><5S+ 0 0 33 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.897 109.3 54.3 -72.0 -36.9 11.6 18.0 5.7 115 118 1 A H 3<5S+ 0 0 80 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.868 106.9 52.9 -60.9 -38.9 8.5 16.2 4.5 116 119 1 E T 3<5S- 0 0 47 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.474 123.3-106.7 -76.4 -0.7 6.6 19.5 4.7 117 120 1 G T < 5S+ 0 0 42 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.579 71.8 137.2 88.4 11.0 9.3 21.2 2.5 118 121 1 L < - 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0 0 46 -2,-0.3 4,-1.7 1,-0.1 3,-0.6 -0.843 51.0-101.1-132.4 172.4 -20.3 21.4 22.5 457 214 2 G T 34 S+ 0 0 23 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.893 126.4 55.9 -61.1 -33.1 -23.2 23.4 21.2 458 215 2 G T 34 S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 0.730 113.7 33.6 -65.2 -35.2 -25.1 20.3 22.4 459 216 2 N T <> S+ 0 0 45 -3,-0.6 4,-1.6 2,-0.1 3,-0.3 0.542 93.6 83.9 -85.3 -39.7 -23.9 20.2 26.0 460 217 2 C H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.783 78.6 61.2 -57.5 -40.8 -23.4 23.7 27.1 461 218 2 K H > S+ 0 0 108 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.916 109.1 43.0 -58.0 -46.3 -26.9 24.8 28.2 462 219 2 E H 4 S+ 0 0 123 -3,-0.3 3,-0.4 1,-0.2 4,-0.3 0.886 116.4 48.2 -68.0 -37.1 -27.1 22.2 31.0 463 220 2 L H >< S+ 0 0 4 -4,-1.6 3,-1.9 1,-0.2 -1,-0.2 0.951 107.9 54.5 -66.1 -45.2 -23.6 22.7 32.1 464 221 2 A H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.721 96.9 67.0 -61.1 -20.2 -24.0 26.5 32.2 465 222 2 S T 3< S+ 0 0 65 -4,-0.9 -1,-0.3 -3,-0.4 2,-0.2 0.556 75.4 105.3 -79.3 -8.6 -27.0 26.2 34.5 466 223 2 Q S X S- 0 0 43 -3,-1.9 3,-1.1 -4,-0.3 -44,-0.0 -0.567 77.3-128.1 -73.9 140.1 -24.9 24.8 37.4 467 224 2 H T 3 S+ 0 0 160 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 0.701 102.5 39.4 -61.1 -31.7 -24.4 27.5 40.0 468 225 2 D T 3 S+ 0 0 26 -20,-0.0 2,-0.8 2,-0.0 -1,-0.2 0.234 88.6 101.2-105.9 13.0 -20.6 27.4 40.3 469 226 2 V < - 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