==== 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 ISOMERASE 29-SEP-03 1R2R . COMPND 2 MOLECULE: TRIOSEPHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR R.APARICIO,S.T.FERREIRA,I.POLIKARPOV . 987 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 689 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 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 . 73 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.1 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 12 12 4 0 0 0 0 0 10 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 8 5 8 4 4 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 . 4 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 4 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 3 A S 0 0 174 0, 0.0 2,-0.4 0, 0.0 200,-0.1 0.000 360.0 360.0 360.0 176.4 19.0 -13.9 40.2 2 4 A R - 0 0 58 198,-0.2 2,-0.3 200,-0.1 200,-0.1 -0.554 360.0-123.7 -74.7 126.2 18.1 -10.4 39.0 3 5 A K - 0 0 99 -2,-0.4 32,-0.1 198,-0.2 -1,-0.1 -0.536 29.8-111.2 -73.6 125.2 17.2 -8.1 41.8 4 6 A F E -a 35 0A 11 30,-0.9 32,-2.9 -2,-0.3 2,-0.4 -0.344 36.6-157.2 -58.1 136.0 13.8 -6.6 41.3 5 7 A F E -ab 36 226A 0 220,-2.2 222,-1.8 30,-0.2 2,-0.5 -0.977 14.8-175.4-130.5 122.5 14.1 -2.9 40.6 6 8 A V E -ab 37 227A 0 30,-2.9 32,-2.2 -2,-0.4 2,-0.4 -0.956 6.0-177.4-124.8 113.9 11.5 -0.2 41.1 7 9 A G E -ab 38 228A 2 220,-3.2 222,-3.2 -2,-0.5 2,-0.5 -0.856 13.9-152.3-104.5 142.1 12.1 3.4 40.0 8 10 A G E -ab 39 229A 0 30,-2.4 32,-3.2 -2,-0.4 2,-0.8 -0.962 5.8-161.7-114.3 113.2 9.7 6.3 40.6 9 11 A N E -a 40 0A 2 220,-3.2 224,-0.2 -2,-0.5 225,-0.1 -0.828 6.8-174.6 -95.2 105.3 10.1 9.1 38.0 10 12 A W - 0 0 0 30,-2.1 3,-0.2 -2,-0.8 -1,-0.1 0.642 21.3-167.8 -74.3 -12.3 8.4 12.2 39.5 11 13 A K - 0 0 38 29,-0.5 2,-1.3 1,-0.2 -1,-0.2 -0.231 60.0 -25.5 52.9-146.5 8.9 14.0 36.2 12 14 A M B S+I 318 0B 0 306,-1.9 306,-2.4 30,-0.1 2,-0.3 -0.555 109.0 113.5 -97.7 67.5 8.3 17.8 36.4 13 15 A N + 0 0 41 -2,-1.3 304,-0.1 304,-0.2 -3,-0.0 -0.992 44.5 33.8-137.1 144.4 6.0 17.6 39.4 14 16 A G - 0 0 7 -2,-0.3 2,-0.3 27,-0.1 3,-0.0 -0.011 46.9-132.0 106.6 158.2 6.0 18.7 43.0 15 17 A R > - 0 0 45 316,-0.0 4,-2.6 -2,-0.0 5,-0.4 -0.805 46.1 -87.0-134.7 175.2 7.2 21.4 45.4 16 18 A K H > S+ 0 0 56 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.870 122.8 52.0 -58.4 -36.9 9.0 21.0 48.8 17 19 A K H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.977 117.6 32.8 -67.7 -57.9 5.8 20.8 50.7 18 20 A N H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 120.9 49.8 -73.0 -30.6 4.0 18.0 48.8 19 21 A L H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.893 109.5 53.0 -69.8 -37.1 7.3 16.1 47.9 20 22 A G H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.910 109.9 48.5 -61.1 -39.3 8.2 16.3 51.6 21 23 A E H X S+ 0 0 98 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.898 111.2 49.6 -65.6 -41.0 4.9 14.7 52.4 22 24 A L H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.930 110.3 51.2 -63.0 -43.7 5.4 12.0 49.7 23 25 A I H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.894 104.1 57.1 -62.5 -41.9 8.9 11.3 51.1 24 26 A T H X S+ 0 0 96 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.915 108.8 46.8 -55.4 -44.4 7.5 11.0 54.7 25 27 A T H X S+ 0 0 73 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.860 111.2 51.0 -69.1 -32.8 5.2 8.2 53.5 26 28 A L H >< S+ 0 0 1 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.894 108.2 51.9 -69.6 -40.1 8.0 6.5 51.5 27 29 A N H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 107.9 54.0 -62.4 -31.7 10.3 6.5 54.6 28 30 A A H 3< S+ 0 0 87 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.698 92.1 96.5 -75.9 -20.1 7.4 4.9 56.6 29 31 A A S << S- 0 0 12 -4,-0.7 2,-0.8 -3,-0.7 -3,-0.0 -0.383 82.1-117.0 -74.2 145.7 7.0 2.1 54.1 30 32 A K - 0 0 165 -2,-0.1 -1,-0.1 209,-0.0 -2,-0.1 -0.775 30.3-158.9 -78.9 112.0 8.6 -1.4 54.5 31 33 A V - 0 0 29 -2,-0.8 212,-0.1 -4,-0.1 2,-0.0 -0.883 20.7-123.8 -95.0 117.4 11.0 -1.6 51.6 32 34 A P > - 0 0 7 0, 0.0 3,-1.6 0, 0.0 -1,-0.0 -0.340 7.0-130.0 -66.6 143.4 11.8 -5.2 51.0 33 35 A A T 3 S+ 0 0 95 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.807 106.7 59.9 -62.7 -28.6 15.4 -6.3 51.1 34 36 A D T 3 S+ 0 0 62 -31,-0.0 -30,-0.9 2,-0.0 2,-0.4 0.348 97.8 72.0 -81.7 8.6 14.9 -8.2 47.8 35 37 A T E < -a 4 0A 6 -3,-1.6 2,-0.6 -32,-0.1 -30,-0.2 -0.989 68.7-145.2-132.8 131.8 13.9 -4.9 45.9 36 38 A E E -a 5 0A 56 -32,-2.9 -30,-2.9 -2,-0.4 2,-0.4 -0.838 21.3-163.8 -95.1 119.9 16.0 -2.0 44.8 37 39 A V E +a 6 0A 4 -2,-0.6 21,-2.4 19,-0.5 2,-0.4 -0.906 11.3 175.4-114.7 132.6 14.1 1.3 45.1 38 40 A V E -ac 7 58A 2 -32,-2.2 -30,-2.4 -2,-0.4 2,-0.4 -0.990 12.9-158.6-135.6 137.4 15.1 4.6 43.4 39 41 A C E -ac 8 59A 0 19,-2.5 21,-2.5 -2,-0.4 -30,-0.2 -0.986 3.8-157.6-118.9 135.9 13.2 7.9 43.2 40 42 A A E -a 9 0A 3 -32,-3.2 -30,-2.1 -2,-0.4 -29,-0.5 -0.879 16.5-172.2-115.2 94.3 14.0 10.5 40.5 41 43 A P - 0 0 0 0, 0.0 21,-0.4 0, 0.0 5,-0.1 -0.342 39.6 -77.2 -77.0 166.2 12.9 14.0 41.6 42 44 A P > - 0 0 0 0, 0.0 3,-2.5 0, 0.0 4,-0.2 -0.306 52.6-106.0 -55.9 154.7 12.8 17.1 39.5 43 45 A T G > S+ 0 0 9 280,-0.3 3,-1.0 1,-0.3 4,-0.3 0.777 118.2 60.3 -63.8 -30.2 16.3 18.5 39.1 44 46 A A G 3 S+ 0 0 1 1,-0.2 251,-0.4 279,-0.1 -1,-0.3 0.669 110.6 43.9 -65.6 -16.2 15.8 21.4 41.5 45 47 A Y G <> S+ 0 0 0 -3,-2.5 4,-2.9 2,-0.1 5,-0.3 0.145 75.2 104.6-119.2 15.0 15.0 18.9 44.3 46 48 A I H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.970 91.8 41.4 -57.8 -51.1 17.7 16.2 43.9 47 49 A D H > S+ 0 0 3 245,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.945 116.0 49.2 -60.7 -51.8 19.5 17.6 47.0 48 50 A F H > S+ 0 0 23 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.920 112.6 48.0 -53.4 -51.4 16.3 18.2 48.9 49 51 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.911 110.6 50.1 -62.8 -42.6 15.0 14.7 48.2 50 52 A R H < S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.881 110.5 50.9 -62.3 -38.1 18.3 13.0 49.2 51 53 A Q H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.824 118.2 37.8 -67.9 -32.2 18.4 14.9 52.5 52 54 A K H < S+ 0 0 113 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.763 99.3 85.5 -92.8 -31.4 14.8 13.9 53.4 53 55 A L S < S- 0 0 8 -4,-2.6 -29,-0.1 -5,-0.2 6,-0.1 -0.548 82.8-111.7 -77.4 140.3 14.7 10.3 52.1 54 56 A D > - 0 0 64 -2,-0.3 3,-2.1 -31,-0.2 -1,-0.1 -0.326 32.4-111.2 -60.2 144.3 15.9 7.4 54.2 55 57 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.688 110.6 77.6 -56.2 -20.2 19.1 5.7 52.8 56 58 A K T 3 S+ 0 0 92 -29,-0.1 -19,-0.5 2,-0.0 2,-0.5 0.635 91.7 60.5 -62.8 -17.6 17.0 2.6 51.9 57 59 A I S < S- 0 0 0 -3,-2.1 -19,-0.2 -21,-0.1 2,-0.2 -0.973 82.0-145.8-113.0 127.9 15.8 4.5 48.9 58 60 A A E -c 38 0A 19 -21,-2.4 -19,-2.5 -2,-0.5 2,-0.4 -0.500 12.0-129.6 -87.0 156.6 18.3 5.8 46.4 59 61 A V E -c 39 0A 0 26,-0.3 28,-2.0 -21,-0.2 29,-1.3 -0.920 19.7-167.6-111.8 140.1 18.0 9.0 44.4 60 62 A A E -d 88 0A 0 -21,-2.5 29,-0.3 -2,-0.4 2,-0.2 -0.948 18.9-130.0-119.1 143.7 18.3 9.5 40.6 61 63 A A E -d 89 0A 0 27,-2.2 29,-2.7 -2,-0.4 3,-0.1 -0.596 18.5-133.1 -78.8 154.5 18.6 12.6 38.5 62 64 A Q S S- 0 0 0 -21,-0.4 2,-0.3 -2,-0.2 31,-0.2 0.523 79.9 -13.9 -86.3 -8.5 16.2 12.8 35.6 63 65 A N - 0 0 10 28,-0.1 2,-0.3 259,-0.1 -1,-0.2 -0.937 59.3-173.9-176.4 165.1 19.0 13.8 33.1 64 66 A C - 0 0 1 -2,-0.3 13,-0.2 -3,-0.1 2,-0.1 -0.953 24.8-108.6-159.6 173.8 22.6 15.0 32.8 65 67 A Y - 0 0 16 11,-2.7 -2,-0.0 -2,-0.3 49,-0.0 -0.356 31.0-107.1-103.3-172.9 25.1 16.2 30.3 66 68 A K S S+ 0 0 65 -2,-0.1 2,-0.3 11,-0.1 11,-0.1 0.284 89.1 54.8-110.0 4.8 28.2 14.5 28.9 67 69 A V S S- 0 0 56 1,-0.1 -2,-0.2 3,-0.0 3,-0.1 -0.931 79.1-118.9-134.5 166.7 31.2 16.4 30.4 68 70 A T S S- 0 0 54 -2,-0.3 2,-0.3 1,-0.2 9,-0.2 0.794 91.0 -5.9 -82.3 -29.5 32.1 17.2 33.9 69 71 A N S S+ 0 0 63 192,-0.1 2,-0.3 7,-0.1 192,-0.2 -0.963 80.5 118.5-152.0 157.0 32.0 21.0 33.8 70 72 A G B -J 260 0C 17 190,-2.2 2,-1.9 -2,-0.3 190,-1.8 -0.963 67.3 -55.6 165.5-173.7 31.5 23.5 31.0 71 73 A A S S+ 0 0 46 -2,-0.3 2,-0.3 188,-0.2 188,-0.1 -0.557 76.1 127.0 -92.0 72.3 29.7 26.3 29.3 72 74 A F > - 0 0 44 -2,-1.9 3,-2.2 3,-0.1 -1,-0.1 -0.685 48.3-153.6-132.4 73.3 26.3 24.5 29.1 73 75 A T T 3 S+ 0 0 0 1,-0.3 3,-0.1 -2,-0.3 -2,-0.1 -0.273 80.5 20.2 -49.9 127.1 23.8 26.9 30.6 74 76 A G T 3 S+ 0 0 16 1,-0.3 -1,-0.3 215,-0.1 2,-0.2 0.410 103.1 105.0 92.3 2.1 20.9 24.9 32.0 75 77 A E < - 0 0 11 -3,-2.2 216,-0.4 235,-0.1 -1,-0.3 -0.653 51.7-153.3-111.2 163.9 22.7 21.5 32.3 76 78 A I - 0 0 9 -2,-0.2 -11,-2.7 214,-0.1 184,-0.1 -0.956 13.7-136.0-132.3 151.1 24.1 19.5 35.2 77 79 A S >> - 0 0 0 -2,-0.3 4,-1.9 -13,-0.2 3,-0.8 -0.729 27.0-108.6-103.2 160.0 26.9 16.9 35.1 78 80 A P H 3> S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.864 118.4 61.4 -50.6 -39.1 27.2 13.5 36.8 79 81 A G H 3> S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.873 104.6 46.7 -57.0 -38.7 29.7 15.0 39.2 80 82 A M H <> S+ 0 0 0 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.890 110.6 52.7 -69.0 -40.9 27.1 17.4 40.5 81 83 A I H <>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 3,-0.5 0.955 112.9 44.6 -58.5 -49.9 24.5 14.6 40.8 82 84 A K H ><5S+ 0 0 88 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.865 107.9 58.2 -61.2 -38.9 27.0 12.5 42.8 83 85 A D H 3<5S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 103.0 54.4 -64.9 -28.4 27.9 15.6 44.9 84 86 A C T 3<5S- 0 0 5 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.371 123.9-106.2 -84.5 2.4 24.2 15.9 45.9 85 87 A G T < 5S+ 0 0 35 -3,-1.8 -26,-0.3 1,-0.3 -3,-0.2 0.463 76.1 135.8 85.0 5.6 24.3 12.2 47.1 86 88 A A < - 0 0 1 -5,-1.8 -1,-0.3 -6,-0.2 -26,-0.2 -0.561 35.4-168.9 -80.8 150.2 22.3 10.8 44.2 87 89 A T + 0 0 68 -28,-2.0 33,-2.6 -2,-0.2 2,-0.3 0.340 61.5 51.3-123.2 1.2 23.7 7.5 42.8 88 90 A W E -de 60 120A 17 -29,-1.3 -27,-2.2 31,-0.2 2,-0.3 -0.946 55.1-160.8-134.4 158.3 21.7 7.1 39.5 89 91 A V E -de 61 121A 0 31,-1.6 33,-2.6 -2,-0.3 2,-0.5 -0.994 18.1-135.5-136.5 139.6 20.8 9.0 36.4 90 92 A V E - e 0 122A 1 -29,-2.7 2,-0.4 -2,-0.3 33,-0.2 -0.823 30.8-175.4 -87.8 126.8 17.9 8.4 34.0 91 93 A L E + e 0 123A 1 31,-2.7 33,-2.7 -2,-0.5 -28,-0.1 -0.965 56.5 16.2-128.3 142.7 19.1 8.7 30.4 92 94 A G S S+ 0 0 0 -2,-0.4 5,-0.1 31,-0.2 -1,-0.1 0.647 74.3 176.4 75.0 18.0 17.3 8.6 27.1 93 95 A H >> - 0 0 6 -31,-0.2 4,-2.1 1,-0.1 3,-0.7 -0.190 42.7-113.2 -54.0 143.4 13.8 9.0 28.7 94 96 A S H 3> S+ 0 0 7 1,-0.3 4,-2.9 2,-0.2 5,-0.4 0.831 117.5 55.3 -49.1 -36.3 11.1 9.2 26.0 95 97 A E H 3>>S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 5,-1.7 0.900 108.2 48.2 -69.0 -36.8 10.4 12.8 26.9 96 98 A R H <45S+ 0 0 10 -3,-0.7 6,-2.4 3,-0.2 -2,-0.2 0.882 118.5 41.0 -66.1 -40.4 14.1 13.7 26.3 97 99 A R H <5S+ 0 0 16 -4,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.894 128.3 27.0 -70.8 -44.1 14.1 11.9 23.0 98 100 A H H <5S+ 0 0 71 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.733 129.8 32.7-104.4 -28.2 10.8 12.9 21.6 99 101 A V T <5S+ 0 0 71 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.828 133.8 28.9 -87.8 -43.7 9.9 16.3 23.2 100 102 A F S - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.348 16.3-115.3 -80.2 159.3 19.8 11.9 19.7 104 106 A D H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.892 117.0 56.5 -56.1 -40.5 21.1 8.4 20.2 105 107 A E H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.944 109.3 44.6 -60.1 -46.8 24.6 9.7 19.8 106 108 A L H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 111.3 53.1 -64.4 -43.4 24.2 12.2 22.6 107 109 A I H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.937 108.7 50.9 -59.9 -40.7 22.5 9.6 24.8 108 110 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.893 109.5 49.6 -62.7 -39.2 25.5 7.2 24.3 109 111 A Q H X S+ 0 0 67 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.890 111.5 49.6 -67.2 -39.0 28.0 10.0 25.2 110 112 A K H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.895 109.5 52.1 -65.0 -43.0 25.9 10.7 28.3 111 113 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.955 110.7 46.7 -56.7 -54.3 25.9 7.1 29.2 112 114 A A H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.917 115.6 46.1 -54.4 -45.8 29.7 6.7 28.9 113 115 A H H X S+ 0 0 27 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.930 111.3 50.5 -68.7 -43.2 30.3 9.9 31.0 114 116 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.6 0.924 112.6 46.7 -58.2 -45.9 27.9 9.0 33.7 115 117 A L H ><5S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.876 108.2 56.8 -66.4 -36.2 29.3 5.6 34.2 116 118 A S H 3<5S+ 0 0 83 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.2 52.4 -64.5 -25.4 32.9 7.1 34.2 117 119 A E T <<5S- 0 0 57 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.322 124.0-102.0 -94.8 5.7 31.9 9.3 37.1 118 120 A G T < 5S+ 0 0 46 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.590 75.9 134.7 88.3 12.9 30.6 6.4 39.2 119 121 A L < - 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0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.478 15.8-134.8 -63.1 131.5 27.2 38.3 20.8 413 167 B V G > S+ 0 0 39 -38,-2.1 3,-1.6 1,-0.3 -37,-0.2 0.854 103.1 61.7 -64.3 -33.4 27.9 34.6 20.3 414 168 B W G 3 S+ 0 0 20 -39,-0.7 6,-0.3 1,-0.3 -1,-0.3 0.601 103.1 52.6 -64.6 -13.6 31.4 35.3 19.0 415 169 B A G < S+ 0 0 0 -3,-1.9 2,-0.7 40,-0.1 4,-0.4 0.415 84.1 104.5 -99.6 -1.6 32.2 36.9 22.4 416 170 B I S < S- 0 0 25 -3,-1.6 -5,-0.0 -4,-0.3 -3,-0.0 -0.723 103.4 -21.2 -90.3 114.4 31.2 33.9 24.5 417 171 B G S S+ 0 0 79 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.463 116.5 95.0 75.6 2.2 34.0 31.9 25.9 418 172 B T S S- 0 0 76 -3,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.546 90.2-123.9 -98.5 -15.1 36.5 33.2 23.3 419 173 B G S S+ 0 0 57 -4,-0.4 2,-1.6 1,-0.1 -4,-0.1 0.400 74.4 126.8 76.5 -1.1 38.0 36.1 25.2 420 174 B K - 0 0 96 -6,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.523 43.4-170.8 -91.8 71.7 36.9 38.3 22.3 421 175 B T - 0 0 31 -2,-1.6 36,-0.1 36,-0.2 35,-0.1 -0.344 29.4-107.9 -57.5 135.2 35.0 40.9 24.3 422 176 B A - 0 0 4 34,-0.5 -1,-0.1 33,-0.1 44,-0.0 -0.392 38.7-112.1 -53.7 141.0 33.0 43.4 22.3 423 177 B T > - 0 0 62 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.375 29.4-106.2 -65.8 159.3 34.6 46.8 22.4 424 178 B P H > S+ 0 0 36 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.909 123.2 52.0 -53.5 -42.3 32.7 49.5 24.3 425 179 B Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.894 109.2 49.2 -65.0 -40.0 31.8 51.1 20.9 426 180 B Q H > S+ 0 0 51 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 114.7 43.9 -64.2 -44.5 30.5 47.7 19.6 427 181 B A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.964 113.9 50.6 -66.2 -48.2 28.4 47.0 22.6 428 182 B Q H X S+ 0 0 32 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.894 107.5 55.2 -55.0 -43.3 27.1 50.6 22.8 429 183 B E H X S+ 0 0 84 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.931 113.8 38.8 -58.5 -49.5 26.1 50.4 19.1 430 184 B V H X S+ 0 0 6 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.936 115.8 51.7 -67.3 -46.0 23.9 47.4 19.5 431 185 B H H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.909 109.2 50.6 -58.8 -42.8 22.5 48.5 22.9 432 186 B E H X S+ 0 0 91 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.897 111.6 48.6 -61.7 -40.7 21.5 51.8 21.5 433 187 B K H X S+ 0 0 69 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.897 111.2 49.7 -66.5 -41.5 19.8 50.1 18.6 434 188 B L H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.911 111.1 49.1 -64.3 -39.5 17.9 47.7 20.9 435 189 B R H X S+ 0 0 20 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.911 109.7 52.1 -67.2 -37.4 16.8 50.6 23.1 436 190 B G H X S+ 0 0 21 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.850 106.8 54.3 -62.8 -35.5 15.6 52.4 19.9 437 191 B W H X S+ 0 0 28 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.926 108.2 48.5 -64.4 -44.7 13.7 49.2 19.0 438 192 B L H X>S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-1.6 0.866 111.9 50.3 -61.3 -37.2 11.9 49.3 22.4 439 193 B K H <5S+ 0 0 116 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.914 117.1 38.7 -69.6 -43.4 11.1 53.0 21.9 440 194 B S H <5S+ 0 0 100 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.857 127.6 32.8 -73.7 -36.3 9.6 52.5 18.4 441 195 B N H <5S+ 0 0 98 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.617 134.5 11.5-105.5 -17.3 7.9 49.2 19.1 442 196 B V T <5S- 0 0 60 -4,-2.1 2,-0.3 -5,-0.3 -3,-0.2 0.598 109.2 -63.9-123.3 -76.7 6.8 49.4 22.8 443 197 B S >< - 0 0 43 -5,-1.6 4,-2.5 1,-0.1 5,-0.2 -0.957 31.0-105.5-171.9 162.0 7.1 52.8 24.5 444 198 B D H > S+ 0 0 106 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.900 119.5 52.1 -54.3 -47.6 9.4 55.7 25.6 445 199 B A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 110.8 45.5 -63.3 -44.2 9.0 54.6 29.2 446 200 B V H > S+ 0 0 23 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 113.2 51.4 -65.0 -43.4 9.8 51.0 28.5 447 201 B A H < S+ 0 0 6 -4,-2.5 -2,-0.2 -9,-0.3 -1,-0.2 0.925 113.6 45.1 -57.2 -40.5 12.8 52.1 26.4 448 202 B Q H < S+ 0 0 99 -4,-2.6 -198,-0.3 1,-0.2 -1,-0.2 0.816 119.7 37.6 -78.5 -29.1 14.0 54.4 29.2 449 203 B S H < S+ 0 0 67 -4,-2.0 2,-0.4 -5,-0.2 -198,-0.2 0.656 88.5 100.6 -99.4 -16.7 13.6 52.0 32.1 450 204 B T < - 0 0 3 -4,-1.9 2,-0.4 -5,-0.2 -43,-0.1 -0.577 68.0-132.8 -80.5 123.2 14.6 48.6 30.7 451 205 B R - 0 0 26 -45,-0.5 -43,-2.3 -2,-0.4 2,-0.5 -0.600 17.0-166.1 -70.7 128.9 18.1 47.4 31.6 452 206 B I E -q 408 0D 0 -2,-0.4 21,-2.7 19,-0.2 22,-0.3 -0.980 14.6-167.9-114.0 111.7 20.0 46.1 28.6 453 207 B I E -q 409 0D 0 -45,-2.9 -43,-2.6 -2,-0.5 2,-0.4 -0.687 14.1-129.6-104.9 152.9 23.1 44.3 29.8 454 208 B Y E -qr 410 475D 0 20,-2.5 22,-1.8 -2,-0.3 2,-0.3 -0.827 23.6-179.2-103.1 139.1 26.1 43.1 27.9 455 209 B G E + r 0 476D 0 -45,-2.6 22,-0.2 -2,-0.4 -33,-0.1 -0.969 33.8 93.4-132.2 152.7 27.6 39.5 28.1 456 210 B G S S- 0 0 5 20,-0.5 -34,-0.5 -2,-0.3 -40,-0.2 0.428 101.0 -18.2 128.6 92.8 30.6 37.9 26.4 457 211 B S S S+ 0 0 25 1,-0.2 2,-0.4 -36,-0.1 -36,-0.2 0.869 76.3 177.7 51.9 47.2 34.0 37.7 28.0 458 212 B V + 0 0 4 18,-0.2 22,-0.4 -4,-0.1 2,-0.3 -0.657 10.4 174.9 -73.1 126.5 33.3 40.4 30.5 459 213 B T >> - 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0 0 6 -3,-1.2 -19,-0.2 -6,-0.2 3,-0.1 -0.886 48.0-179.5 -96.4 118.9 25.0 49.5 28.7 473 227 B D - 0 0 12 -21,-2.7 -220,-2.3 -2,-0.6 2,-0.3 0.239 55.5 -58.1-105.1 12.2 23.2 48.9 32.0 474 228 B G E -l 253 0D 0 -22,-0.3 -20,-2.5 -222,-0.2 2,-0.3 -0.968 62.3 -72.5 142.9-159.7 25.4 46.1 33.4 475 229 B F E -lr 254 454D 0 -222,-1.6 -220,-3.1 -2,-0.3 2,-0.6 -0.960 3.0-148.8-141.5 149.3 26.6 42.6 32.6 476 230 B L E -lr 255 455D 1 -22,-1.8 -20,-0.5 -2,-0.3 2,-0.4 -0.980 40.6-156.5-111.6 107.8 25.7 38.9 32.3 477 231 B V E +l 256 0D 0 -222,-3.0 -220,-3.1 -2,-0.6 -22,-0.1 -0.732 19.2 178.8 -98.4 135.7 29.0 37.4 33.3 478 232 B G S > S+ 0 0 17 -2,-0.4 3,-2.1 -20,-0.2 4,-0.4 0.671 71.5 6.0 -96.7-106.6 30.3 34.0 32.3 479 233 B G G > S+ 0 0 51 1,-0.3 3,-1.4 2,-0.2 4,-0.1 0.809 126.5 57.8 -53.6 -37.6 33.7 32.6 33.3 480 234 B A G > S+ 0 0 9 -22,-0.4 3,-1.4 1,-0.3 6,-0.5 0.693 90.1 73.8 -70.4 -16.2 34.6 35.5 35.5 481 235 B S G < S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.719 91.7 57.2 -68.6 -18.2 31.5 34.9 37.6 482 236 B L G < S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.484 104.2 64.7 -87.5 -5.4 33.3 31.9 39.1 483 237 B K S X S- 0 0 112 -3,-1.4 3,-2.1 -4,-0.1 4,-0.3 -0.748 94.4-103.0-120.0 159.6 36.2 34.0 40.3 484 238 B P T >> S+ 0 0 96 0, 0.0 3,-1.6 0, 0.0 4,-0.6 0.747 111.6 75.9 -46.7 -28.4 36.9 36.8 42.8 485 239 B E H 3> S+ 0 0 59 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.638 74.7 78.8 -68.2 -10.7 37.1 39.2 39.9 486 240 B F H <> S+ 0 0 0 -3,-2.1 4,-2.1 -6,-0.5 -1,-0.3 0.865 89.5 55.3 -56.8 -37.2 33.2 39.1 39.7 487 241 B V H <> S+ 0 0 27 -3,-1.6 4,-1.6 -4,-0.3 -1,-0.2 0.900 103.6 54.1 -64.1 -39.7 33.3 41.5 42.7 488 242 B D H < S+ 0 0 92 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 108.7 49.3 -56.4 -41.1 35.4 43.8 40.5 489 243 B I H >< S+ 0 0 0 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.881 104.3 57.3 -69.4 -37.7 32.7 43.6 37.9 490 244 B I H 3< S+ 0 0 5 -4,-2.1 3,-0.4 1,-0.3 -1,-0.2 0.855 109.5 48.2 -57.3 -36.5 30.0 44.4 40.4 491 245 B N T >< S+ 0 0 42 -4,-1.6 3,-1.6 1,-0.2 -1,-0.3 0.030 73.5 125.4 -91.5 26.8 32.0 47.6 41.1 492 246 B A T < S+ 0 0 4 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.777 75.1 47.0 -62.5 -28.8 32.3 48.5 37.4 493 247 B K T 3 0 0 132 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.490 360.0 360.0 -88.4 -6.8 30.8 52.0 38.0 494 248 B Q < 0 0 141 -3,-1.6 -1,-0.2 -214,-0.0 -2,-0.2 0.698 360.0 360.0 -80.1 360.0 32.9 52.8 41.1 495 !* 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 0.0 496 2 C P 0 0 152 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 132.5 25.7 76.5 -17.4 497 3 C S - 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0 0 44 -2,-0.4 4,-1.7 20,-0.1 3,-0.6 -0.795 52.8 -92.4-130.7 173.7 25.6 17.7 -11.9 956 214 D G T 34 S+ 0 0 24 -2,-0.3 4,-0.4 1,-0.2 -1,-0.0 0.864 125.4 53.3 -55.9 -35.4 25.1 15.4 -14.9 957 215 D A T 34 S+ 0 0 98 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.755 118.6 31.5 -74.1 -26.6 27.4 12.9 -13.4 958 216 D T T <> S+ 0 0 47 -3,-0.6 4,-1.8 2,-0.1 -2,-0.2 0.514 93.9 88.0-109.9 -9.4 25.6 12.7 -10.0 959 217 D C H X S+ 0 0 2 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.854 83.1 55.9 -66.8 -36.7 22.0 13.3 -10.9 960 218 D K H > S+ 0 0 97 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.927 109.4 46.4 -64.3 -45.1 20.9 9.7 -11.6 961 219 D E H 4 S+ 0 0 106 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.902 115.3 46.6 -62.9 -41.5 22.1 8.3 -8.2 962 220 D L H >< S+ 0 0 8 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.932 111.2 51.4 -66.6 -42.9 20.4 11.2 -6.4 963 221 D A H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.703 99.6 65.9 -69.1 -19.7 17.2 10.8 -8.4 964 222 D S T 3< S+ 0 0 96 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.616 75.9 105.8 -75.3 -16.0 17.1 7.1 -7.6 965 223 D Q S X S- 0 0 33 -3,-1.5 3,-1.4 -4,-0.4 -44,-0.0 -0.483 76.3-130.5 -70.0 134.0 16.5 7.8 -3.9 966 224 D P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.690 102.5 40.2 -61.7 -23.5 12.9 7.1 -2.9 967 225 D D T 3 S+ 0 0 24 -20,-0.0 2,-0.6 2,-0.0 -19,-0.2 0.286 91.9 95.7-110.8 6.4 12.2 10.4 -1.2 968 226 D V < + 0 0 6 -3,-1.4 -19,-0.2 -6,-0.2 3,-0.1 -0.899 47.2 179.1 -94.5 121.0 14.0 12.6 -3.6 969 227 D D - 0 0 11 -21,-2.7 -220,-2.3 -2,-0.6 2,-0.3 0.234 56.1 -57.6-107.9 11.8 11.5 14.0 -6.1 970 228 D G E -d 749 0H 0 -22,-0.3 -20,-2.8 -222,-0.2 2,-0.3 -0.970 62.0 -74.6 143.1-161.6 13.8 16.2 -8.2 971 229 D F E -dj 750 950H 0 -222,-1.7 -220,-3.0 -2,-0.3 2,-0.5 -0.967 2.0-149.1-141.5 149.3 16.2 19.1 -7.9 972 230 D L E -d 751 0H 8 -22,-2.0 2,-0.3 -2,-0.3 -220,-0.2 -0.964 41.9-155.2-111.3 102.0 16.6 22.8 -7.5 973 231 D V E -d 752 0H 1 -222,-3.0 -220,-3.3 -2,-0.5 -20,-0.1 -0.636 17.5-174.4 -89.9 132.8 19.8 23.1 -9.5 974 232 D G S > S+ 0 0 22 -2,-0.3 3,-2.2 -22,-0.2 4,-0.3 0.623 71.4 0.5 -88.4-113.0 22.3 25.9 -9.1 975 233 D G G > S+ 0 0 52 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.758 124.3 61.3 -57.0 -34.1 25.3 26.3 -11.4 976 234 D A G > S+ 0 0 9 -22,-0.3 3,-1.6 1,-0.3 6,-0.6 0.712 88.2 75.9 -66.3 -17.0 24.6 23.4 -13.7 977 235 D S G < S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.738 91.8 54.0 -68.1 -19.1 21.3 25.1 -14.7 978 236 D L G < S+ 0 0 59 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.495 104.2 71.4 -86.3 -3.2 23.3 27.6 -16.8 979 237 D K S X S- 0 0 104 -3,-1.6 3,-1.9 -4,-0.2 4,-0.3 -0.696 92.6-107.6-116.4 159.3 25.0 24.7 -18.8 980 238 D P T > S+ 0 0 95 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.779 110.7 74.3 -54.2 -29.4 23.9 22.2 -21.4 981 239 D E T 3> S+ 0 0 54 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.653 72.7 81.4 -66.3 -14.3 24.1 19.4 -18.7 982 240 D F H <> S+ 0 0 0 -3,-1.9 4,-2.3 -6,-0.6 -1,-0.3 0.866 87.1 59.4 -50.6 -36.8 20.9 20.8 -17.2 983 241 D V H <> S+ 0 0 28 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.909 102.3 51.4 -57.3 -43.5 19.3 18.7 -20.0 984 242 D D H 4 S+ 0 0 89 -4,-0.5 -2,-0.2 -3,-0.2 -1,-0.2 0.891 108.6 51.2 -60.6 -38.7 21.0 15.6 -18.5 985 243 D I H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.2 -2,-0.2 0.897 104.4 56.3 -66.6 -40.3 19.5 16.5 -15.1 986 244 D I H 3< S+ 0 0 6 -4,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.870 110.7 46.7 -54.8 -36.8 16.1 16.8 -16.6 987 245 D N T >< S+ 0 0 41 -4,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.101 74.8 123.2 -92.5 23.8 16.6 13.2 -17.8 988 246 D A T < S+ 0 0 3 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.704 74.9 49.3 -64.1 -22.2 17.9 11.9 -14.4 989 247 D K T 3 0 0 118 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.460 360.0 360.0 -92.5 -4.2 15.2 9.2 -14.2 990 248 D Q < 0 0 134 -3,-2.0 -2,-0.2 -214,-0.0 -1,-0.2 0.798 360.0 360.0 -78.1 360.0 15.8 7.9 -17.7