==== 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 UNKNOWN FUNCTION 10-MAY-07 2PVZ . COMPND 2 MOLECULE: PRPF METHYLACONITATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR G.S.GARVEY,I.R.RAYMENT . 774 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 65 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 1 2 1 0 0 0 2 3 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 5 8 0 4 8 5 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL 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 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 5 A L 0 0 198 0, 0.0 547,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.6 8.5 6.3 -3.9 2 6 A F - 0 0 64 545,-0.1 545,-0.2 384,-0.0 544,-0.1 -0.959 360.0-140.1-122.7 111.3 6.5 8.2 -1.2 3 7 A P - 0 0 62 0, 0.0 384,-0.3 0, 0.0 544,-0.1 -0.210 29.3 -93.1 -66.5 158.2 6.8 6.7 2.3 4 8 A P - 0 0 102 0, 0.0 383,-0.4 0, 0.0 541,-0.1 -0.258 47.8 -90.4 -64.6 159.0 3.8 6.6 4.7 5 9 A Q - 0 0 17 381,-0.2 2,-0.2 1,-0.1 379,-0.0 -0.352 42.2-120.0 -59.0 147.4 3.1 9.4 7.2 6 10 A I E -A 385 0A 41 379,-2.7 379,-1.3 -3,-0.1 2,-0.4 -0.569 19.9-131.3 -85.3 156.7 4.7 9.0 10.6 7 11 A K E -A 384 0A 115 -2,-0.2 2,-0.4 377,-0.2 377,-0.2 -0.948 19.8-171.4-110.0 133.3 2.5 8.8 13.7 8 12 A V E -A 383 0A 3 375,-2.5 375,-2.7 -2,-0.4 2,-0.1 -0.992 27.9-120.1-126.6 122.0 3.3 10.9 16.8 9 13 A A E +A 382 0A 24 18,-0.5 15,-0.3 -2,-0.4 2,-0.3 -0.418 51.9 151.7 -61.7 131.9 1.4 10.4 20.0 10 14 A A E -A 381 0A 6 371,-2.0 371,-2.1 13,-0.1 2,-0.4 -0.985 39.5-136.9-159.2 158.7 -0.3 13.7 20.9 11 15 A T E -AB 380 22A 15 11,-2.4 11,-3.4 -2,-0.3 2,-0.6 -0.996 12.5-148.7-127.1 129.7 -3.3 15.2 22.7 12 16 A Y E +AB 379 21A 9 367,-3.5 366,-3.2 -2,-0.4 367,-1.9 -0.881 32.4 173.2 -97.1 119.8 -5.4 18.1 21.3 13 17 A M E -AB 377 20A 2 7,-2.4 7,-2.3 -2,-0.6 2,-0.5 -0.928 35.8-134.4-130.3 149.9 -6.7 20.2 24.1 14 18 A R E -AB 376 19A 0 362,-2.6 362,-2.1 -2,-0.3 2,-0.4 -0.898 24.7-179.5 -92.3 133.4 -8.6 23.4 24.9 15 19 A G E > -AB 375 18A 0 3,-2.4 3,-1.9 -2,-0.5 360,-0.2 -0.978 62.8 -44.6-130.7 120.9 -6.9 25.4 27.7 16 20 A G T 3 S- 0 0 0 358,-3.0 147,-0.1 -2,-0.4 296,-0.1 -0.378 123.8 -23.2 55.4-130.4 -8.8 28.6 28.5 17 21 A T T 3 S+ 0 0 0 294,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.002 125.0 82.5 -99.4 28.2 -9.8 30.3 25.3 18 22 A S E < -B 15 0A 0 -3,-1.9 -3,-2.4 87,-0.1 2,-0.4 -0.906 62.4-145.4-129.7 156.7 -7.0 28.6 23.2 19 23 A K E +B 14 0A 3 47,-2.6 50,-0.3 -2,-0.3 2,-0.3 -0.966 25.2 170.0-119.2 142.5 -6.5 25.2 21.5 20 24 A G E -B 13 0A 1 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.6 -0.989 36.4-120.4-149.0 155.0 -3.1 23.5 21.2 21 25 A V E -Bc 12 70A 1 48,-2.2 50,-2.5 -2,-0.3 2,-0.4 -0.890 35.7-158.2 -96.5 120.1 -1.5 20.2 20.3 22 26 A F E -Bc 11 71A 0 -11,-3.4 -11,-2.4 -2,-0.6 2,-0.3 -0.825 12.0-178.9-105.9 138.7 0.4 18.7 23.3 23 27 A F E - c 0 72A 0 48,-2.4 50,-3.0 -2,-0.4 2,-0.4 -0.982 29.5-126.8-130.9 143.5 3.2 16.2 23.2 24 28 A R E >> - c 0 73A 66 -2,-0.3 3,-1.5 -15,-0.3 4,-0.7 -0.750 33.0-124.5 -72.3 138.6 5.4 14.4 25.8 25 29 A L G >4 S+ 0 0 48 48,-2.7 3,-1.4 -2,-0.4 -1,-0.1 0.908 111.5 54.9 -48.0 -46.1 9.0 15.2 24.8 26 30 A Q G 34 S+ 0 0 124 1,-0.3 -1,-0.3 47,-0.3 7,-0.1 0.648 99.7 61.0 -70.0 -14.4 9.6 11.4 24.7 27 31 A D G <4 S+ 0 0 46 -3,-1.5 -18,-0.5 -18,-0.1 -1,-0.3 0.649 86.5 94.5 -84.0 -18.1 6.8 10.9 22.2 28 32 A L S << S- 0 0 5 -3,-1.4 5,-0.1 -4,-0.7 11,-0.0 -0.373 94.0 -89.2 -70.2 149.8 8.4 13.1 19.6 29 33 A P > - 0 0 38 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.348 45.8-109.2 -51.6 143.4 10.6 11.7 16.8 30 34 A E G > S+ 0 0 158 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.853 118.0 58.2 -49.3 -44.0 14.2 11.6 18.1 31 35 A A G > S+ 0 0 69 1,-0.3 3,-0.5 2,-0.1 8,-0.4 0.792 107.5 48.4 -56.0 -30.6 15.3 14.5 15.8 32 36 A A G < S+ 0 0 3 -3,-1.8 -1,-0.3 6,-0.2 -2,-0.2 0.342 85.1 89.2 -93.7 3.2 12.6 16.8 17.4 33 37 A Q G < S+ 0 0 58 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.1 0.478 90.2 50.1 -83.4 -1.8 13.6 15.9 21.0 34 38 A V S < S- 0 0 91 -3,-0.5 5,-0.3 -4,-0.2 4,-0.0 -0.940 102.6 -92.1-125.3 154.7 16.1 18.8 20.9 35 39 A P S S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.317 77.6 74.6 -60.5 147.1 15.5 22.4 19.8 36 40 A G S > S- 0 0 26 1,-0.1 4,-2.4 -4,-0.1 3,-0.3 -0.862 92.0 -38.5 144.4-176.6 16.2 23.2 16.1 37 41 A P H > S+ 0 0 115 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.830 125.9 53.1 -45.8 -47.1 15.1 22.9 12.5 38 42 A A H > S+ 0 0 47 -7,-0.2 4,-1.8 2,-0.2 -6,-0.2 0.901 112.5 44.4 -63.7 -42.5 13.8 19.3 12.8 39 43 A R H > S+ 0 0 10 -8,-0.4 4,-2.3 -5,-0.3 5,-0.2 0.945 116.1 45.5 -64.5 -49.8 11.6 20.2 15.7 40 44 A D H X S+ 0 0 40 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.906 112.4 51.8 -63.4 -41.3 10.3 23.4 14.2 41 45 A A H X S+ 0 0 56 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.890 110.8 48.7 -60.6 -42.8 9.7 21.7 10.8 42 46 A L H X S+ 0 0 10 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.937 112.7 45.7 -61.3 -51.9 7.6 18.9 12.5 43 47 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.871 111.5 53.4 -64.8 -38.7 5.4 21.3 14.5 44 48 A L H X>S+ 0 0 14 -4,-2.5 5,-3.1 -5,-0.2 4,-2.0 0.929 112.0 45.2 -56.7 -47.2 4.9 23.5 11.5 45 49 A R H <5S+ 0 0 32 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.890 109.7 53.9 -68.4 -40.1 3.7 20.4 9.5 46 50 A V H <5S+ 0 0 5 -4,-2.7 14,-2.9 1,-0.2 -1,-0.2 0.928 115.3 41.0 -56.3 -44.6 1.5 19.2 12.4 47 51 A I H <5S- 0 0 2 -4,-2.1 14,-2.3 12,-0.3 -2,-0.2 0.779 117.8-111.5 -76.6 -28.8 -0.3 22.6 12.4 48 52 A G T <5 - 0 0 0 -4,-2.0 10,-0.3 1,-0.3 8,-0.2 0.691 59.0-175.2 101.7 27.9 -0.4 23.0 8.6 49 53 A S < + 0 0 2 -5,-3.1 -1,-0.3 -6,-0.2 44,-0.1 -0.741 47.7 38.7-117.6 162.1 2.1 25.9 8.2 50 54 A P S S+ 0 0 43 0, 0.0 43,-0.3 0, 0.0 42,-0.1 0.579 75.5 178.2 -71.2 142.9 3.4 27.9 6.6 51 55 A D > - 0 0 2 41,-3.1 3,-1.5 1,-0.1 -2,-0.1 -0.915 25.8-168.7-121.9 106.8 0.2 28.3 4.7 52 56 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 0.756 94.4 56.4 -61.5 -22.5 -0.1 30.9 1.9 53 57 A Y T 3 S- 0 0 27 622,-0.1 40,-0.1 623,-0.0 623,-0.1 0.640 99.2-141.0 -79.6 -17.2 -3.9 30.4 1.9 54 58 A A S < S+ 0 0 50 -3,-1.5 39,-0.1 38,-0.2 -5,-0.1 0.849 75.4 100.3 55.9 40.2 -4.0 31.3 5.7 55 59 A K S S- 0 0 59 -7,-0.2 -1,-0.1 37,-0.1 9,-0.0 0.519 72.5-143.9-124.1 -15.9 -6.6 28.6 6.3 56 60 A Q > + 0 0 0 -8,-0.2 3,-0.8 36,-0.1 -7,-0.1 0.844 45.4 149.1 46.7 44.0 -4.6 25.7 7.8 57 61 A I T 3 + 0 0 6 1,-0.2 -1,-0.1 497,-0.2 -9,-0.1 0.716 66.9 57.1 -74.1 -21.3 -6.8 23.1 6.1 58 62 A D T 3 S+ 0 0 0 -10,-0.3 2,-0.3 345,-0.1 -1,-0.2 -0.203 112.5 26.9-107.5 40.9 -3.9 20.7 5.8 59 63 A G S < S- 0 0 1 -3,-0.8 -12,-0.3 2,-0.2 -11,-0.2 -0.969 94.7 -78.0-174.2-173.5 -3.0 20.5 9.5 60 64 A M S S+ 0 0 4 -14,-2.9 -13,-0.2 -2,-0.3 -12,-0.1 0.569 88.1 108.3 -80.1 -12.5 -4.3 20.8 13.1 61 65 A G - 0 0 1 -14,-2.3 7,-0.2 -15,-0.2 -2,-0.2 -0.182 61.0-148.3 -66.0 157.7 -4.3 24.6 13.2 62 66 A G - 0 0 15 5,-1.5 6,-0.2 2,-0.4 -1,-0.1 0.194 44.6-111.2-109.5 12.1 -7.5 26.7 13.2 63 67 A A S S+ 0 0 28 4,-0.3 2,-0.3 1,-0.2 5,-0.1 0.713 88.3 92.7 64.2 26.2 -5.9 29.6 11.2 64 68 A T S > S- 0 0 55 1,-0.1 3,-1.4 -9,-0.0 -2,-0.4 -0.946 87.1-111.6-137.5 161.6 -6.0 32.0 14.2 65 69 A S G > S+ 0 0 20 -2,-0.3 3,-1.0 238,-0.3 25,-0.1 0.881 118.1 56.1 -61.3 -36.2 -3.5 32.9 16.8 66 70 A S G 3 S+ 0 0 2 1,-0.2 -47,-2.6 237,-0.1 -1,-0.3 0.621 115.7 38.6 -68.7 -14.0 -5.6 31.2 19.5 67 71 A T G < S+ 0 0 6 -3,-1.4 -5,-1.5 -49,-0.2 -4,-0.3 0.115 94.6 79.4-127.8 19.5 -5.6 28.0 17.5 68 72 A S S < S+ 0 0 0 -3,-1.0 22,-2.1 -7,-0.2 2,-0.3 -0.592 70.4 126.6-124.8 69.2 -2.0 27.7 16.0 69 73 A K E - D 0 89A 5 -50,-0.3 -48,-2.2 -2,-0.3 2,-0.3 -0.966 38.1-168.9-139.6 141.8 -0.2 26.3 19.1 70 74 A T E -cD 21 88A 0 18,-2.4 18,-2.9 -2,-0.3 2,-0.4 -0.968 6.4-164.6-131.1 146.0 2.1 23.5 20.2 71 75 A V E -cD 22 87A 0 -50,-2.5 -48,-2.4 -2,-0.3 2,-0.5 -0.998 4.3-162.8-133.7 130.0 3.2 22.4 23.6 72 76 A I E -cD 23 86A 7 14,-2.7 14,-2.2 -2,-0.4 2,-0.3 -0.968 17.1-175.9-114.8 120.1 6.1 20.1 24.6 73 77 A L E +cD 24 85A 0 -50,-3.0 -48,-2.7 -2,-0.5 2,-0.3 -0.885 9.3 161.2-118.9 146.6 5.9 18.7 28.2 74 78 A S E - D 0 84A 28 10,-1.5 10,-3.2 -2,-0.3 2,-0.2 -0.971 48.1 -81.4-153.3 161.3 8.3 16.5 30.2 75 79 A H E - D 0 83A 107 -2,-0.3 2,-0.3 8,-0.2 8,-0.3 -0.509 53.8-121.5 -65.6 135.1 9.1 15.6 33.8 76 80 A S - 0 0 5 6,-2.3 5,-0.1 43,-0.4 -1,-0.1 -0.615 22.5-168.2 -84.5 137.8 11.2 18.3 35.3 77 81 A S + 0 0 118 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.452 59.5 111.3 -95.5 -4.6 14.6 17.6 36.8 78 82 A K S > S- 0 0 83 1,-0.1 3,-1.5 2,-0.1 -2,-0.1 -0.488 81.2-101.5 -70.6 134.3 14.5 21.1 38.4 79 83 A A T 3 S+ 0 0 77 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.280 105.1 12.6 -51.2 134.4 14.3 21.3 42.2 80 84 A N T 3 S+ 0 0 122 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.644 107.9 102.7 70.7 19.7 10.7 22.2 43.3 81 85 A H < - 0 0 18 -3,-1.5 -1,-0.2 1,-0.1 54,-0.2 -0.971 47.0-170.2-134.1 150.7 9.1 21.5 39.9 82 86 A D S S+ 0 0 3 52,-3.2 -6,-2.3 -2,-0.3 2,-0.4 0.822 73.1 26.8-102.1 -44.3 7.0 18.7 38.5 83 87 A V E -De 75 135A 0 51,-1.6 53,-3.1 -8,-0.3 2,-0.5 -0.976 63.6-138.1-134.5 133.2 6.8 19.4 34.7 84 88 A D E -De 74 136A 37 -10,-3.2 -10,-1.5 -2,-0.4 2,-0.5 -0.826 25.4-158.4 -87.8 126.9 8.9 21.3 32.2 85 89 A Y E +De 73 137A 0 51,-3.2 53,-2.6 -2,-0.5 54,-0.7 -0.933 14.5 178.4-118.2 115.0 6.7 23.4 29.9 86 90 A L E -D 72 0A 42 -14,-2.2 -14,-2.7 -2,-0.5 2,-0.4 -0.970 10.8-163.1-116.3 123.7 7.8 24.6 26.5 87 91 A F E -D 71 0A 0 -2,-0.5 2,-0.5 14,-0.3 14,-0.3 -0.911 5.0-168.4-112.4 131.7 5.3 26.6 24.4 88 92 A G E -D 70 0A 0 -18,-2.9 -18,-2.4 -2,-0.4 2,-0.7 -0.969 11.4-152.9-121.4 117.3 5.6 27.2 20.6 89 93 A Q E -DF 69 98A 2 9,-2.3 9,-3.1 -2,-0.5 2,-0.6 -0.803 21.4-144.5 -84.4 115.2 3.5 29.7 18.8 90 94 A V E - F 0 97A 0 -22,-2.1 7,-0.2 -2,-0.7 -2,-0.0 -0.728 11.2-128.7 -89.9 117.2 3.2 28.4 15.2 91 95 A S - 0 0 12 5,-2.5 5,-0.1 -2,-0.6 -40,-0.0 -0.352 8.5-150.1 -59.3 140.4 3.2 31.2 12.6 92 96 A I S S+ 0 0 37 -42,-0.1 -41,-3.1 -43,-0.1 -38,-0.2 0.894 93.0 24.3 -76.7 -42.0 0.3 30.8 10.1 93 97 A D S S+ 0 0 109 -43,-0.3 -1,-0.1 -44,-0.1 -2,-0.1 0.604 116.7 60.0-102.8 -15.8 2.0 32.4 7.1 94 98 A K S S- 0 0 61 2,-0.2 2,-2.5 -44,-0.1 -3,-0.1 -0.855 83.5-113.1-123.4 149.5 5.8 31.9 7.9 95 99 A P S S+ 0 0 101 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.388 80.5 113.7 -76.9 66.1 8.1 29.0 8.4 96 100 A F - 0 0 76 -2,-2.5 -5,-2.5 -5,-0.1 2,-0.5 -0.997 51.3-163.2-144.5 136.0 8.6 30.0 12.1 97 101 A V E -F 90 0A 2 -2,-0.4 2,-0.6 -7,-0.2 -7,-0.2 -0.995 25.6-139.6-116.6 122.4 7.8 28.7 15.5 98 102 A D E +F 89 0A 3 -9,-3.1 -9,-2.3 -2,-0.5 3,-0.2 -0.746 26.7 171.7 -88.5 119.1 8.1 31.5 18.2 99 103 A W + 0 0 62 -2,-0.6 -12,-0.2 -11,-0.2 -1,-0.1 0.239 50.5 101.9-106.0 11.5 9.7 30.3 21.4 100 104 A S S S+ 0 0 36 -11,-0.1 2,-0.3 170,-0.1 -1,-0.1 0.538 81.0 27.2 -78.0 -8.0 10.0 33.7 23.1 101 105 A G S S- 0 0 1 -14,-0.3 -14,-0.3 -3,-0.2 2,-0.2 -0.848 70.7-101.7-146.6 177.0 7.0 33.5 25.4 102 106 A N - 0 0 1 110,-0.4 2,-0.5 -2,-0.3 212,-0.1 -0.503 23.7-134.1 -92.5 165.7 4.5 31.6 27.6 103 107 A X - 0 0 4 -2,-0.2 4,-0.4 1,-0.1 -85,-0.0 -0.959 17.0-171.7-120.5 107.9 0.9 30.8 26.8 104 108 A G S S+ 0 0 1 -2,-0.5 3,-0.5 1,-0.2 4,-0.4 0.796 81.6 54.8 -70.4 -32.0 -1.2 31.6 29.9 105 109 A N S > S+ 0 0 0 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.905 106.5 50.2 -68.4 -43.1 -4.5 30.0 28.6 106 110 A L T 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.567 86.5 90.1 -72.9 -6.5 -2.9 26.6 27.9 107 111 A T H 3> S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.4 -1,-0.2 0.878 85.2 51.2 -59.0 -41.2 -1.4 26.6 31.5 108 112 A A H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.4 -1,-0.2 0.887 110.2 50.1 -61.9 -38.6 -4.5 24.8 32.9 109 113 A A H > S+ 0 0 0 -4,-0.4 4,-3.0 265,-0.2 -2,-0.2 0.842 104.8 58.3 -68.1 -35.0 -4.2 22.2 30.1 110 114 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 106.3 48.4 -58.8 -45.9 -0.5 21.7 31.0 111 115 A G H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.935 114.4 45.3 -60.6 -47.4 -1.4 20.8 34.6 112 116 A A H X S+ 0 0 6 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.925 113.1 50.2 -63.3 -46.5 -4.1 18.3 33.4 113 117 A F H X S+ 0 0 6 -4,-3.0 4,-1.7 1,-0.2 6,-0.2 0.907 108.5 52.8 -58.2 -44.7 -1.8 16.8 30.7 114 118 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.6 0.918 113.0 43.6 -59.2 -45.3 1.0 16.3 33.2 115 119 A I H ><5S+ 0 0 15 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.926 115.9 47.3 -63.9 -47.3 -1.2 14.4 35.7 116 120 A S H 3<5S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.684 116.7 44.1 -70.4 -20.2 -2.9 12.3 32.9 117 121 A N T 3<5S- 0 0 53 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.072 112.6-105.5-120.6 23.9 0.5 11.4 31.3 118 122 A G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.706 77.6 129.6 67.5 26.5 2.7 10.5 34.2 119 123 A L < + 0 0 6 -5,-2.6 -43,-0.4 -6,-0.2 2,-0.4 0.417 64.3 60.5 -91.7 0.6 4.8 13.7 34.3 120 124 A I S S- 0 0 8 -6,-0.6 5,-0.1 -5,-0.2 -38,-0.1 -0.976 101.1 -94.4-125.5 141.2 4.3 14.2 38.0 121 125 A D > - 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0 0 93 60,-0.1 -4,-3.1 -5,-0.1 2,-0.4 -0.626 58.0-116.3 -79.5 134.6 -0.4 33.3 -7.2 678 298 B T E -R 672 0I 101 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.570 19.2-158.4 -74.3 125.0 -1.5 34.8 -10.5 679 299 B V E -R 671 0I 6 -8,-3.3 -8,-2.2 -2,-0.4 2,-0.2 -0.944 19.2-148.2 -98.3 111.0 -4.4 33.0 -12.3 680 300 B A > - 0 0 22 -2,-0.7 3,-1.7 -10,-0.2 4,-0.4 -0.506 20.4-120.5 -77.3 148.8 -4.1 34.1 -15.9 681 301 B A G > S+ 0 0 22 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.853 116.6 58.2 -54.2 -34.8 -7.2 34.4 -18.1 682 302 B E G 3 S+ 0 0 163 1,-0.2 -1,-0.3 -14,-0.1 -12,-0.0 0.629 94.8 65.4 -69.9 -17.7 -5.6 31.8 -20.3 683 303 B D G < S+ 0 0 84 -3,-1.7 2,-0.3 2,-0.0 -1,-0.2 0.569 103.8 48.0 -80.6 -11.8 -5.4 29.3 -17.4 684 304 B V < - 0 0 9 -3,-1.2 49,-0.2 -4,-0.4 3,-0.1 -0.931 58.8-149.6-135.3 153.6 -9.2 29.0 -17.1 685 305 B D S S- 0 0 70 47,-3.3 2,-0.3 -2,-0.3 48,-0.2 0.682 87.8 -19.6 -89.3 -22.4 -12.4 28.5 -19.1 686 306 B L E - g 0 733A 0 46,-1.1 48,-2.3 -19,-0.2 2,-0.4 -0.966 65.0-105.7-167.6 173.5 -14.4 30.6 -16.7 687 307 B L E -Fg 666 734A 0 -21,-3.1 -21,-1.9 -2,-0.3 2,-0.4 -0.948 30.8-179.7-112.3 136.1 -14.6 32.1 -13.2 688 308 B V E -F 665 0A 0 46,-2.4 2,-0.4 -2,-0.4 -23,-0.2 -0.990 6.8-178.4-135.7 130.5 -16.9 30.8 -10.5 689 309 B R E -F 664 0A 0 -25,-2.6 -25,-3.1 -2,-0.4 2,-0.3 -0.980 13.1-167.8-119.3 139.0 -17.3 32.0 -6.9 690 310 B A E -F 663 0A 1 9,-0.4 7,-3.1 -2,-0.4 2,-0.3 -0.944 13.9-138.6-129.2 150.6 -19.7 30.3 -4.5 691 311 B L E -FH 662 696A 8 -29,-3.1 -29,-0.6 -2,-0.3 2,-0.4 -0.799 14.3-170.1 -99.8 146.8 -21.2 30.9 -1.1 692 312 B S E > S- H 0 695A 4 3,-2.8 3,-1.4 -2,-0.3 -238,-0.2 -0.987 72.4 -11.2-136.0 129.7 -21.6 28.4 1.7 693 313 B M T 3 S- 0 0 58 -36,-0.5 -35,-0.1 -2,-0.4 3,-0.1 0.828 132.2 -48.6 53.1 36.4 -23.6 29.0 4.8 694 314 B G T 3 S+ 0 0 27 -37,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.483 120.9 85.0 91.0 4.8 -23.9 32.7 4.0 695 315 B K E < S-H 692 0A 108 -3,-1.4 -3,-2.8 -65,-0.0 2,-0.2 -0.971 86.6 -92.4-135.1 151.6 -20.2 33.6 3.2 696 316 B L E -H 691 0A 1 -2,-0.3 -5,-0.3 -5,-0.3 2,-0.1 -0.461 48.9-119.7 -61.5 125.2 -18.0 33.4 0.1 697 317 B H - 0 0 5 -7,-3.1 -7,-0.2 -2,-0.2 -1,-0.1 -0.390 11.9-127.3 -67.4 146.3 -16.2 30.0 0.2 698 318 B H S S- 0 0 12 -292,-0.1 -24,-0.2 -2,-0.1 -1,-0.1 0.696 90.1 -16.6 -72.0 -21.0 -12.4 30.1 0.3 699 319 B A S S- 0 0 1 37,-0.2 -9,-0.4 38,-0.1 2,-0.3 -0.049 108.4 -51.8-142.6-108.2 -12.1 27.8 -2.8 700 320 B M - 0 0 2 35,-0.1 -294,-0.2 -11,-0.1 2,-0.1 -0.970 42.1-119.8-147.8 134.4 -14.9 25.7 -4.1 701 321 B M > - 0 0 4 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.460 27.2-128.1 -64.2 140.1 -17.3 23.1 -2.5 702 322 B G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.881 109.7 50.3 -61.4 -41.4 -16.9 19.7 -4.1 703 323 B T H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -101,-0.3 0.878 110.1 50.8 -62.6 -39.7 -20.6 19.4 -4.7 704 324 B A H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.846 104.5 57.4 -67.3 -34.3 -20.6 22.8 -6.3 705 325 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.876 105.7 50.8 -62.8 -37.0 -17.7 21.8 -8.5 706 326 B V H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.903 109.3 50.5 -62.9 -43.5 -19.9 18.9 -9.8 707 327 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.880 111.2 49.1 -62.4 -40.3 -22.7 21.5 -10.5 708 328 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.954 113.3 45.3 -63.3 -53.1 -20.3 23.6 -12.4 709 329 B G H X S+ 0 0 3 -4,-2.5 4,-1.2 2,-0.2 35,-0.2 0.923 116.2 46.1 -57.3 -47.1 -19.0 20.7 -14.5 710 330 B T H >< S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 4,-0.5 0.942 114.7 46.2 -63.4 -50.2 -22.5 19.4 -15.2 711 331 B A H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 9,-0.5 0.851 108.2 57.3 -61.6 -35.9 -23.9 22.8 -16.1 712 332 B A H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 101.4 57.6 -64.1 -30.1 -20.9 23.6 -18.3 713 333 B A T << S+ 0 0 2 -4,-1.2 15,-0.4 -3,-0.6 -1,-0.2 0.581 92.4 78.3 -77.5 -13.2 -21.7 20.4 -20.4 714 334 B I S X S- 0 0 3 -3,-1.0 3,-1.8 -4,-0.5 6,-0.3 -0.873 87.0-127.5-100.7 108.5 -25.2 21.7 -21.2 715 335 B P T 3 S+ 0 0 37 0, 0.0 3,-0.1 0, 0.0 12,-0.1 -0.288 90.8 28.3 -54.2 128.3 -25.1 24.3 -24.0 716 336 B G T 3 S+ 0 0 24 1,-0.4 -4,-0.1 10,-0.1 -5,-0.0 0.200 83.2 124.4 106.3 -15.7 -27.0 27.4 -23.0 717 337 B T S <> S- 0 0 0 -3,-1.8 4,-2.8 -6,-0.4 -1,-0.4 -0.357 74.8-112.5 -68.5 159.2 -26.6 27.4 -19.2 718 338 B L H > S+ 0 0 10 -137,-0.5 4,-2.1 2,-0.2 -1,-0.1 0.851 121.6 50.8 -59.2 -35.0 -25.1 30.5 -17.6 719 339 B V H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.933 110.9 47.0 -66.4 -49.5 -22.1 28.4 -16.7 720 340 B N H 4>S+ 0 0 1 -9,-0.5 5,-2.8 -6,-0.3 -2,-0.2 0.908 113.7 48.7 -56.8 -43.3 -21.7 27.1 -20.3 721 341 B L H ><5S+ 0 0 100 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.874 105.8 55.8 -69.9 -38.4 -22.1 30.6 -21.7 722 342 B A H 3<5S+ 0 0 11 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.4 52.3 -59.3 -31.9 -19.5 32.0 -19.3 723 343 B A T 3<5S- 0 0 13 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.244 133.9 -91.0 -90.6 11.2 -17.1 29.4 -20.7 724 344 B G T < 5 - 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