==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)03-FEB-94 1TPC . 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,D . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 15.5 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 . 56 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 31.4 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 8 4 2 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 2 6 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 0 121 0, 0.0 2,-0.2 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 111.3 29.5 25.1 -0.4 2 5 1 K - 0 0 104 198,-0.2 32,-0.1 1,-0.1 2,-0.1 -0.392 360.0-106.5 -68.9 129.3 27.8 28.5 -0.1 3 6 1 F E -a 34 0A 14 30,-0.8 32,-3.1 -2,-0.2 2,-0.5 -0.421 40.1-154.7 -57.4 130.0 28.8 30.3 3.1 4 7 1 F E -ab 35 225A 0 220,-3.6 222,-1.4 30,-0.2 2,-0.5 -0.958 15.8-175.7-121.6 122.9 25.8 30.2 5.5 5 8 1 V E -ab 36 226A 0 30,-2.9 32,-1.9 -2,-0.5 2,-0.5 -0.960 3.6-174.1-120.8 116.8 25.1 32.7 8.3 6 9 1 G E -ab 37 227A 2 220,-2.8 222,-3.0 -2,-0.5 2,-0.5 -0.917 9.6-157.3-106.6 127.1 22.1 32.2 10.6 7 10 1 G E -ab 38 228A 1 30,-2.8 32,-3.9 -2,-0.5 2,-0.7 -0.931 5.2-161.1-102.4 125.2 21.1 34.8 13.2 8 11 1 N E -a 39 0A 1 220,-2.8 224,-0.2 -2,-0.5 32,-0.1 -0.868 8.2-172.8-106.8 96.9 19.0 33.3 16.2 9 12 1 W - 0 0 2 30,-2.2 31,-0.1 -2,-0.7 -1,-0.1 0.750 21.6-172.3 -63.4 -18.7 17.2 36.2 17.9 10 13 1 K - 0 0 16 29,-0.5 2,-1.2 1,-0.2 306,-0.2 -0.411 62.7 -21.2 53.7-143.6 16.1 33.6 20.6 11 14 1 M B S+I 315 0B 0 304,-2.1 304,-1.7 -3,-0.1 2,-0.3 -0.632 111.1 108.1 -95.9 70.0 13.6 35.2 23.0 12 15 1 N + 0 0 34 -2,-1.2 2,-0.1 302,-0.2 302,-0.1 -0.982 43.5 48.1-146.1 150.8 14.4 38.9 22.3 13 16 1 G - 0 0 22 -2,-0.3 2,-0.3 27,-0.1 220,-0.0 -0.209 42.8-141.7 109.5 163.5 12.9 41.8 20.5 14 17 1 D > - 0 0 65 -2,-0.1 4,-2.6 314,-0.0 5,-0.4 -0.743 47.3 -91.9-147.3 175.2 9.7 43.8 20.1 15 18 1 K H > S+ 0 0 61 -2,-0.3 4,-0.7 2,-0.2 5,-0.0 0.716 125.0 54.6 -70.2 -25.5 8.4 45.2 16.8 16 19 1 K H > S+ 0 0 155 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.968 117.2 32.2 -71.3 -52.8 10.2 48.5 17.5 17 20 1 S H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.828 120.0 50.5 -74.6 -35.0 13.7 47.0 18.1 18 21 1 L H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.864 109.6 55.7 -66.7 -33.2 13.3 44.1 15.6 19 22 1 G H X S+ 0 0 22 -4,-0.7 4,-2.0 -5,-0.4 -2,-0.2 0.939 109.4 43.7 -61.8 -46.0 12.1 46.8 13.2 20 23 1 E H X S+ 0 0 108 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.958 113.7 50.9 -61.8 -50.0 15.3 48.9 13.6 21 24 1 L H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.933 112.2 47.5 -55.2 -48.2 17.5 45.8 13.4 22 25 1 I H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.858 107.4 55.0 -64.0 -39.9 15.7 44.8 10.2 23 26 1 H H X S+ 0 0 149 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.938 109.4 48.9 -57.5 -46.1 16.0 48.3 8.6 24 27 1 T H X S+ 0 0 67 -4,-2.4 4,-1.3 1,-0.2 3,-0.2 0.924 110.7 49.5 -59.5 -50.6 19.8 48.1 9.1 25 28 1 L H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.792 109.0 52.1 -57.8 -39.2 20.0 44.6 7.6 26 29 1 N H < S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.2 43.1 -71.8 -32.1 18.0 45.7 4.5 27 30 1 G H < S+ 0 0 70 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.618 95.5 106.7 -86.4 -15.4 20.3 48.7 3.9 28 31 1 A S < S- 0 0 14 -4,-1.3 2,-1.1 -5,-0.2 -3,-0.1 -0.041 77.1-110.9 -68.1 164.2 23.6 46.9 4.6 29 32 1 K - 0 0 140 3,-0.0 2,-0.5 213,-0.0 -1,-0.1 -0.792 45.8-179.5 -93.9 88.1 26.3 45.8 2.2 30 33 1 L - 0 0 24 -2,-1.1 209,-0.1 -5,-0.1 212,-0.1 -0.838 34.8-102.0-103.2 132.8 26.0 42.0 2.4 31 34 1 S > - 0 0 15 -2,-0.5 3,-0.9 1,-0.2 -1,-0.1 -0.167 19.7-140.3 -46.7 140.5 28.2 39.6 0.5 32 35 1 A T 3 S+ 0 0 87 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.539 102.6 60.0 -75.2 -11.4 26.4 38.3 -2.6 33 36 1 D T 3 S+ 0 0 112 2,-0.0 -30,-0.8 -31,-0.0 2,-0.5 0.477 87.0 83.9-101.3 -2.7 28.1 35.0 -1.6 34 37 1 T E < -a 3 0A 13 -3,-0.9 2,-0.6 -32,-0.1 -30,-0.2 -0.904 68.6-142.5-104.8 136.0 26.7 34.5 1.8 35 38 1 E E -a 4 0A 47 -32,-3.1 -30,-2.9 -2,-0.5 2,-0.4 -0.844 24.6-157.6 -91.5 119.3 23.3 32.9 2.4 36 39 1 V E +a 5 0A 8 -2,-0.6 21,-3.2 19,-0.5 2,-0.4 -0.901 18.0 172.8-110.9 133.3 21.5 34.7 5.3 37 40 1 V E -ac 6 57A 2 -32,-1.9 -30,-2.8 -2,-0.4 2,-0.5 -0.999 14.9-155.7-135.1 133.7 18.7 33.5 7.5 38 41 1 C E -ac 7 58A 0 19,-2.7 21,-2.8 -2,-0.4 2,-0.7 -0.969 9.0-147.8-112.4 133.9 17.2 35.2 10.6 39 42 1 G E -ac 8 59A 1 -32,-3.9 -30,-2.2 -2,-0.5 -29,-0.5 -0.907 23.6-171.9-103.2 104.7 15.5 33.1 13.3 40 43 1 A E - c 0 60A 0 19,-1.4 21,-0.6 -2,-0.7 5,-0.1 -0.576 34.0 -92.0-100.7 152.3 12.7 35.1 14.9 41 44 1 P > - 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.358 44.9-115.7 -52.4 144.7 10.4 34.5 17.9 42 45 1 S G > S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.874 116.0 61.8 -52.7 -46.1 7.2 32.7 16.5 43 46 1 I G 3 S+ 0 0 5 1,-0.3 249,-0.3 2,-0.1 -1,-0.3 0.751 111.6 39.4 -53.3 -27.1 5.1 35.7 17.5 44 47 1 Y G <> S+ 0 0 1 -3,-1.7 4,-2.4 1,-0.1 -1,-0.3 0.283 83.4 102.9-108.8 10.3 7.2 37.8 15.1 45 48 1 L H <> S+ 0 0 0 -3,-1.8 4,-2.4 -4,-0.3 5,-0.2 0.889 84.6 43.7 -62.6 -42.4 7.7 35.5 12.2 46 49 1 D H > S+ 0 0 19 -4,-0.4 4,-2.5 243,-0.3 -1,-0.2 0.918 113.9 51.3 -67.6 -44.3 5.1 37.1 9.8 47 50 1 F H > S+ 0 0 23 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.960 112.2 48.3 -56.1 -49.8 6.3 40.6 10.7 48 51 1 A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.909 112.2 46.8 -57.6 -48.3 9.9 39.5 9.9 49 52 1 R H < S+ 0 0 48 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.893 114.6 48.3 -63.1 -38.8 9.1 37.9 6.6 50 53 1 Q H < S+ 0 0 121 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.857 120.8 35.8 -67.5 -43.0 7.0 41.0 5.7 51 54 1 K H < S+ 0 0 115 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.824 99.1 85.6 -79.4 -42.3 9.7 43.4 6.6 52 55 1 L S < S- 0 0 7 -4,-3.3 -29,-0.1 -5,-0.2 6,-0.1 -0.406 89.1 -98.8 -66.6 143.2 13.0 41.6 5.7 53 56 1 D > - 0 0 69 -31,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.210 33.0-118.6 -54.3 145.3 14.3 41.8 2.1 54 57 1 A T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.734 111.7 68.9 -61.3 -24.7 13.4 38.7 0.1 55 58 1 K T 3 S+ 0 0 111 2,-0.1 2,-0.5 -20,-0.0 -19,-0.5 0.608 91.7 73.0 -70.2 -17.3 17.1 37.9 -0.4 56 59 1 I S < S- 0 0 2 -3,-2.3 -19,-0.2 -21,-0.1 2,-0.2 -0.895 80.2-139.6-102.1 135.3 17.2 37.2 3.4 57 60 1 G E -c 37 0A 15 -21,-3.2 -19,-2.7 -2,-0.5 2,-0.4 -0.480 7.3-142.4 -89.5 159.7 15.5 33.9 4.7 58 61 1 V E -c 38 0A 1 -21,-0.3 28,-1.7 26,-0.2 29,-1.4 -0.961 14.9-165.1-121.0 135.4 13.5 33.7 7.8 59 62 1 A E -cd 39 87A 0 -21,-2.8 -19,-1.4 -2,-0.4 29,-0.3 -0.931 18.9-128.1-122.7 150.0 13.5 30.6 10.1 60 63 1 A E -cd 40 88A 1 27,-2.4 29,-2.2 -2,-0.4 3,-0.1 -0.641 19.7-134.3 -82.4 150.4 11.2 29.5 12.9 61 64 1 Q S S- 0 0 5 -21,-0.6 2,-0.3 -2,-0.3 31,-0.2 0.490 79.8 -13.8 -85.1 -7.3 13.1 28.7 16.2 62 65 1 N - 0 0 15 257,-0.1 2,-0.3 28,-0.1 -1,-0.2 -0.933 60.6-172.8 178.8 164.0 11.2 25.4 16.7 63 66 1 C - 0 0 0 -2,-0.3 13,-0.2 -3,-0.1 2,-0.2 -0.931 25.3-109.7-160.5 173.7 8.2 23.4 15.5 64 67 1 Y - 0 0 19 11,-2.4 49,-0.0 -2,-0.3 -2,-0.0 -0.451 31.7-109.6-107.1 175.5 6.2 20.2 16.4 65 68 1 K S S+ 0 0 61 -2,-0.2 11,-0.1 11,-0.1 3,-0.0 0.256 89.7 56.3 -96.1 11.9 6.1 17.0 14.4 66 69 1 V S S- 0 0 49 1,-0.1 -2,-0.2 3,-0.0 12,-0.1 -0.933 80.4-119.5-135.2 161.4 2.5 16.8 12.9 67 70 1 P S S- 0 0 63 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.768 86.9 -12.2 -72.3 -29.8 0.7 19.3 10.8 68 71 1 K S S+ 0 0 148 7,-0.1 2,-0.3 190,-0.1 190,-0.2 -0.939 78.6 101.4-161.7 170.3 -2.3 20.0 13.2 69 72 1 G B S-J 257 0C 21 188,-0.9 2,-1.6 -2,-0.3 188,-1.5 -0.851 74.0 -32.9 139.4-178.3 -3.8 18.7 16.4 70 73 1 A S S+ 0 0 46 -2,-0.3 2,-0.4 186,-0.2 186,-0.1 -0.567 77.3 124.0 -87.5 71.2 -4.2 19.1 20.1 71 74 1 F > - 0 0 46 -2,-1.6 3,-1.7 3,-0.1 2,-0.2 -0.851 50.3-152.8-131.1 80.2 -0.8 20.5 21.0 72 75 1 T T 3 S+ 0 0 0 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.484 80.8 21.5 -58.9 122.9 -1.5 23.8 22.9 73 76 1 G T 3 S+ 0 0 24 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.282 100.7 107.6 99.0 -6.2 1.5 26.1 22.4 74 77 1 E < - 0 0 13 -3,-1.7 2,-0.4 233,-0.1 -1,-0.3 -0.674 49.1-154.8-107.7 160.5 3.1 24.5 19.3 75 78 1 I - 0 0 10 -2,-0.3 -11,-2.4 -3,-0.1 -7,-0.1 -0.933 14.5-141.7-127.0 146.7 3.4 25.5 15.7 76 79 1 S > - 0 0 0 -2,-0.4 4,-1.9 -13,-0.2 3,-0.4 -0.676 28.6-106.9-109.7 166.2 3.8 23.1 12.8 77 80 1 P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.764 117.8 62.6 -56.8 -33.3 5.8 23.3 9.6 78 81 1 A H > S+ 0 0 36 2,-0.2 4,-1.6 1,-0.2 -10,-0.1 0.940 106.3 43.5 -64.5 -39.0 2.5 23.9 7.7 79 82 1 M H > S+ 0 0 4 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.895 111.6 55.2 -68.2 -41.0 1.9 27.2 9.6 80 83 1 I H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 3,-0.3 0.934 110.8 44.2 -54.7 -51.4 5.6 28.2 9.2 81 84 1 K H ><5S+ 0 0 103 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.863 104.9 64.8 -60.1 -42.5 5.3 27.8 5.4 82 85 1 D H 3<5S+ 0 0 61 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 102.4 48.1 -55.1 -40.2 2.0 29.6 5.4 83 86 1 I T 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.479 124.0-101.5 -79.0 -8.7 3.7 32.8 6.6 84 87 1 G T < 5S+ 0 0 41 -3,-1.5 -26,-0.2 1,-0.3 -3,-0.2 0.470 73.8 141.2 102.2 3.5 6.5 32.6 4.0 85 88 1 A < - 0 0 6 -5,-1.8 -1,-0.3 1,-0.1 -26,-0.2 -0.470 32.1-168.1 -79.1 152.9 9.3 31.2 6.2 86 89 1 A + 0 0 49 -28,-1.7 33,-2.4 -2,-0.1 2,-0.3 0.514 58.7 49.7-119.6 -7.3 11.6 28.6 4.7 87 90 1 W E -de 59 119A 9 -29,-1.4 -27,-2.4 31,-0.2 2,-0.4 -0.909 50.9-161.0-135.5 161.0 13.6 27.2 7.6 88 91 1 V E -de 60 120A 0 31,-1.5 33,-2.5 -2,-0.3 2,-0.5 -0.981 18.7-137.6-138.0 141.0 13.3 25.8 11.0 89 92 1 I E - e 0 121A 3 -29,-2.2 2,-0.3 -2,-0.4 33,-0.2 -0.890 31.5-178.3 -95.9 124.1 16.0 25.5 13.7 90 93 1 L E + e 0 122A 1 31,-2.4 33,-2.4 -2,-0.5 -28,-0.1 -0.954 55.7 18.6-126.6 145.6 15.7 22.0 15.3 91 94 1 G S S+ 0 0 0 -2,-0.3 5,-0.1 1,-0.2 -1,-0.1 0.538 71.7 170.3 76.5 7.9 17.7 20.5 18.2 92 95 1 H >> - 0 0 4 -31,-0.2 4,-1.9 1,-0.1 3,-1.0 -0.242 45.1-117.0 -51.2 143.3 19.1 23.8 19.5 93 96 1 P H 3> S+ 0 0 7 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.695 114.9 59.7 -53.4 -30.8 20.8 23.0 22.8 94 97 1 E H 3>>S+ 0 0 17 2,-0.2 4,-1.7 3,-0.2 5,-1.4 0.866 107.1 47.8 -69.3 -32.9 18.4 25.2 24.7 95 98 1 R H <45S+ 0 0 8 -3,-1.0 6,-2.2 3,-0.2 4,-0.2 0.923 116.3 45.6 -70.2 -40.0 15.6 22.9 23.4 96 99 1 R H <5S+ 0 0 21 -4,-1.9 4,-0.5 4,-0.2 -2,-0.2 0.941 126.3 23.6 -62.8 -56.8 17.7 19.9 24.5 97 100 1 H H <5S+ 0 0 87 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.789 129.1 36.5 -93.0 -29.4 18.8 20.9 28.0 98 101 1 V T <5S+ 0 0 74 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.839 130.9 29.9 -88.2 -41.7 16.2 23.5 29.2 99 102 1 F S - 0 0 60 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.474 23.4-109.4 -89.8 161.1 15.2 14.1 23.2 103 106 1 D H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.837 120.0 56.9 -53.9 -36.8 17.1 12.9 20.1 104 107 1 E H > S+ 0 0 147 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 109.1 43.6 -64.3 -43.6 14.1 10.8 19.3 105 108 1 L H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.955 112.9 52.7 -63.3 -48.4 11.7 13.8 19.2 106 109 1 I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.930 107.7 50.7 -55.9 -45.2 14.3 15.9 17.3 107 110 1 G H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.3 0.867 110.0 50.8 -61.4 -37.5 14.6 13.2 14.6 108 111 1 Q H X S+ 0 0 66 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.888 110.3 49.6 -65.6 -43.6 10.8 13.0 14.2 109 112 1 K H X S+ 0 0 2 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.851 109.4 52.1 -61.5 -39.7 10.6 16.8 13.8 110 113 1 V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.944 110.4 46.3 -61.5 -49.2 13.4 16.8 11.2 111 114 1 A H X S+ 0 0 39 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.875 115.3 48.0 -64.0 -33.6 11.7 14.2 9.1 112 115 1 H H X S+ 0 0 27 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.964 112.6 46.5 -70.4 -51.7 8.3 16.1 9.4 113 116 1 A H <>S+ 0 0 0 -4,-3.0 5,-3.0 1,-0.2 4,-0.2 0.877 114.4 49.3 -54.3 -39.9 9.7 19.5 8.5 114 117 1 L H ><5S+ 0 0 34 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.922 107.3 53.8 -69.5 -40.0 11.6 18.0 5.6 115 118 1 A H 3<5S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 107.7 52.6 -59.3 -37.9 8.4 16.2 4.4 116 119 1 E T 3<5S- 0 0 49 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.487 122.2-107.1 -77.0 0.2 6.6 19.6 4.4 117 120 1 G T < 5S+ 0 0 61 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.647 72.4 137.8 85.6 12.2 9.4 21.2 2.3 118 121 1 L < - 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0 0 47 -2,-0.3 4,-1.6 20,-0.1 3,-0.8 -0.812 50.3-105.2-126.5 170.1 -20.2 21.3 22.3 457 214 2 G T 34 S+ 0 0 22 -2,-0.3 4,-0.5 1,-0.3 -1,-0.1 0.891 124.8 58.6 -61.6 -30.3 -23.2 23.5 21.1 458 215 2 G T 34 S+ 0 0 76 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.679 113.1 30.0 -66.4 -34.7 -25.0 20.3 22.2 459 216 2 N T <> S+ 0 0 42 -3,-0.8 4,-1.7 2,-0.1 -1,-0.2 0.484 95.5 87.4 -93.7 -38.6 -23.9 20.1 25.9 460 217 2 C H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.827 79.1 58.6 -52.3 -46.5 -23.3 23.7 26.9 461 218 2 K H > S+ 0 0 104 -4,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.926 109.2 42.6 -58.6 -50.2 -26.8 24.8 28.0 462 219 2 E H >4 S+ 0 0 121 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.853 116.4 48.5 -65.6 -35.3 -27.1 22.2 30.8 463 220 2 L H >< S+ 0 0 3 -4,-1.7 3,-1.6 1,-0.2 -1,-0.2 0.903 108.3 54.0 -70.0 -39.9 -23.5 22.7 32.0 464 221 2 A H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.668 97.1 67.6 -63.9 -17.9 -23.9 26.5 32.1 465 222 2 S T << S+ 0 0 63 -4,-0.7 -1,-0.3 -3,-0.5 2,-0.3 0.442 75.1 104.3 -79.2 -9.7 -27.0 26.1 34.3 466 223 2 Q S X S- 0 0 40 -3,-1.6 3,-1.1 -4,-0.2 -44,-0.0 -0.623 78.3-128.5 -74.3 138.1 -24.8 24.8 37.2 467 224 2 H T 3 S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.710 102.6 41.0 -61.0 -31.8 -24.4 27.5 39.8 468 225 2 D T 3 S+ 0 0 25 -20,-0.0 2,-0.8 1,-0.0 -1,-0.2 0.344 89.2 100.4-100.4 5.5 -20.6 27.4 40.1 469 226 2 V < + 0 0 3 -3,-1.1 -19,-0.2 -6,-0.2 -3,-0.1 -0.842 46.2 179.0 -97.6 103.4 -19.8 27.0 36.4 470 227 2 D - 0 0 10 -21,-3.0 -220,-3.3 -2,-0.8 2,-0.3 0.211 56.2 -53.8 -87.4 7.5 -18.8 30.4 35.0 471 228 2 G E -l 250 0D 0 -22,-0.3 -20,-2.0 -222,-0.2 2,-0.3 -0.930 63.0 -78.8 149.1-166.5 -18.1 29.6 31.4 472 229 2 F E -lr 251 451D 0 -222,-1.3 -220,-2.9 -2,-0.3 2,-0.6 -0.956 7.6-142.3-137.8 155.1 -16.1 27.3 29.3 473 230 2 L E -lr 252 452D 7 -22,-2.2 -20,-0.7 -2,-0.3 2,-0.5 -0.983 37.7-161.6-110.7 114.0 -12.6 26.6 27.9 474 231 2 V E +l 253 0D 2 -222,-3.6 -220,-3.9 -2,-0.6 -22,-0.1 -0.901 20.9 166.8-108.8 131.1 -13.4 25.3 24.4 475 232 2 G S >> S+ 0 0 20 -2,-0.5 3,-2.8 -222,-0.2 4,-0.5 0.651 72.0 15.1 -93.7-107.1 -11.1 23.3 22.1 476 233 2 G G >4 S+ 0 0 59 1,-0.3 3,-1.0 2,-0.2 -20,-0.1 0.815 125.6 55.1 -41.7 -38.8 -12.2 21.5 19.0 477 234 2 A G >4 S+ 0 0 11 -22,-0.4 3,-1.5 1,-0.2 6,-0.4 0.613 90.8 73.0 -81.1 -10.5 -15.6 23.3 18.9 478 235 2 S G <4 S+ 0 0 0 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.618 91.0 60.5 -72.8 -12.2 -13.9 26.8 18.9 479 236 2 L G << S+ 0 0 59 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.419 102.2 70.8 -93.3 5.5 -12.9 26.0 15.3 480 237 2 K S X S- 0 0 109 -3,-1.5 3,-2.4 1,-0.1 4,-0.3 -0.815 89.7-110.9-124.7 164.8 -16.6 25.7 14.3 481 238 2 P T > S+ 0 0 102 0, 0.0 3,-2.9 0, 0.0 4,-0.4 0.885 111.8 72.0 -53.0 -42.6 -19.8 27.8 13.8 482 239 2 E T 3> S+ 0 0 45 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.654 75.0 83.3 -52.9 -14.3 -21.2 26.2 16.9 483 240 2 F H <> S+ 0 0 0 -3,-2.4 4,-2.0 -6,-0.4 3,-0.4 0.899 84.4 58.6 -56.5 -40.5 -18.7 28.3 18.9 484 241 2 V H <> S+ 0 0 26 -3,-2.9 4,-1.7 -4,-0.3 -1,-0.2 0.922 102.4 53.0 -56.0 -41.0 -21.3 31.1 18.6 485 242 2 D H 4 S+ 0 0 89 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.820 107.4 51.6 -61.6 -35.8 -23.9 28.8 20.4 486 243 2 I H >< S+ 0 0 0 -4,-1.4 3,-1.5 -3,-0.4 -1,-0.2 0.902 107.3 51.2 -68.7 -42.4 -21.4 28.2 23.3 487 244 2 I H 3< S+ 0 0 1 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.845 115.3 45.3 -58.1 -37.6 -20.8 31.9 23.8 488 245 2 N T >< S+ 0 0 28 -4,-1.7 3,-1.3 -5,-0.2 -1,-0.3 0.020 76.3 123.3 -97.1 22.9 -24.6 32.3 23.9 489 246 2 A T < S+ 0 0 5 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.715 71.3 52.6 -55.9 -36.2 -25.2 29.3 26.3 490 247 2 K T 3 0 0 118 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.207 360.0 360.0 -89.0 13.3 -27.0 31.3 28.9 491 248 2 H < 0 0 139 -3,-1.3 -1,-0.3 -214,-0.0 -2,-0.1 -0.393 360.0 360.0-134.0 360.0 -29.5 32.8 26.3