==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-APR-11 2YG4 . COMPND 2 MOLECULE: PUTRESCINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR M.M.KOPACZ,S.ROVIDA,E.VAN DUIJN,M.W.FRAAIJE,A.MATTEVI . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 13.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 53 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 3 6 0 0 5 3 2 4 2 0 0 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 2 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 PARALLEL BRIDGES PER LADDER . 6 2 4 6 4 2 0 2 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 . 4 2 0 0 0 2 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 2 A P 0 0 83 0, 0.0 252,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 146.6 -28.8 70.8 -15.0 2 3 A T E +a 253 0A 93 250,-0.2 2,-0.3 252,-0.0 252,-0.2 -0.980 360.0 176.9-118.2 135.1 -30.3 69.8 -11.8 3 4 A L E -a 254 0A 24 250,-2.3 252,-2.7 -2,-0.5 2,-0.4 -0.972 24.3-136.3-133.4 154.4 -34.1 70.1 -11.2 4 5 A Q E +a 255 0A 126 -2,-0.3 2,-0.3 250,-0.2 252,-0.2 -0.907 30.5 164.0-105.8 137.5 -36.7 69.4 -8.6 5 6 A R E -a 256 0A 63 250,-2.8 252,-0.7 -2,-0.4 253,-0.2 -0.986 46.1-128.6-146.1 151.0 -40.1 67.9 -9.6 6 7 A D E S+ 0 0 65 23,-0.4 252,-1.8 -2,-0.3 251,-1.3 0.949 102.2 18.9 -57.0 -49.7 -43.0 66.2 -7.9 7 8 A V E -ab 258 30A 1 22,-1.9 24,-1.5 250,-0.2 2,-0.4 -0.989 64.5-158.0-129.8 128.2 -42.7 63.3 -10.5 8 9 A A E -ab 259 31A 0 250,-2.5 252,-2.6 -2,-0.4 2,-0.5 -0.900 17.7-159.3 -99.8 136.1 -39.9 62.2 -12.8 9 10 A I E -ab 260 32A 0 22,-2.8 24,-3.5 -2,-0.4 2,-0.7 -0.958 7.2-152.9-125.1 122.0 -41.0 60.2 -15.8 10 11 A V E +ab 261 33A 9 250,-2.9 252,-2.7 -2,-0.5 24,-0.2 -0.877 68.6 28.1 -99.6 111.7 -38.8 57.9 -17.8 11 12 A G - 0 0 8 22,-2.6 23,-0.2 -2,-0.7 22,-0.1 0.399 59.9-141.4 111.7 120.6 -40.0 57.5 -21.4 12 13 A A + 0 0 0 26,-0.2 28,-2.8 4,-0.1 29,-0.2 -0.329 59.8 123.3-104.2 48.8 -41.9 59.9 -23.6 13 14 A G S > S- 0 0 11 249,-0.4 4,-2.2 26,-0.2 5,-0.2 -0.271 87.8 -79.2 -84.6-174.0 -44.1 57.3 -25.3 14 15 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.837 131.2 53.7 -59.0 -32.7 -47.9 57.7 -25.1 15 16 A S H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.951 110.7 42.3 -70.2 -50.8 -47.9 56.2 -21.5 16 17 A G H > S+ 0 0 0 246,-0.4 4,-2.6 2,-0.2 5,-0.2 0.918 118.7 47.5 -55.0 -46.2 -45.3 58.6 -19.9 17 18 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.900 109.5 50.7 -68.5 -42.6 -46.9 61.6 -21.8 18 19 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.877 112.9 48.3 -61.9 -35.4 -50.5 60.7 -20.8 19 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.945 111.6 48.1 -69.6 -44.2 -49.3 60.4 -17.2 20 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 110.6 53.5 -60.6 -44.4 -47.4 63.8 -17.3 21 22 A T H X S+ 0 0 27 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.934 111.8 43.3 -57.4 -48.3 -50.5 65.4 -18.8 22 23 A A H X S+ 0 0 26 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.865 111.7 54.5 -64.8 -41.6 -52.8 64.1 -16.0 23 24 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.7 0.920 105.0 53.6 -60.8 -43.7 -50.3 65.0 -13.3 24 25 A R H ><5S+ 0 0 113 -4,-2.4 3,-2.7 1,-0.3 -2,-0.2 0.922 101.2 59.7 -61.7 -42.3 -50.1 68.7 -14.6 25 26 A K H 3<5S+ 0 0 145 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.844 105.4 49.3 -51.7 -36.7 -53.9 69.1 -14.3 26 27 A A T <<5S- 0 0 50 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.448 122.8-108.4 -80.8 0.9 -53.7 68.3 -10.6 27 28 A G T < 5S+ 0 0 52 -3,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.642 72.9 138.8 80.6 10.8 -50.9 70.9 -10.2 28 29 A L < - 0 0 37 -5,-2.1 -1,-0.3 -8,-0.1 2,-0.2 -0.692 51.0-127.3 -82.7 145.9 -48.0 68.4 -9.7 29 30 A S - 0 0 37 -2,-0.3 -22,-1.9 -3,-0.1 -23,-0.4 -0.656 31.1-171.9 -92.5 159.2 -44.8 69.4 -11.5 30 31 A V E -b 7 0A 0 -2,-0.2 2,-0.4 -24,-0.2 -22,-0.2 -0.925 25.1-156.8-143.8 153.7 -43.1 66.9 -13.9 31 32 A A E -b 8 0A 0 -24,-1.5 -22,-2.8 -2,-0.3 2,-0.6 -0.994 15.5-156.4-130.2 139.5 -40.0 66.2 -16.0 32 33 A V E -bc 9 228A 0 195,-3.3 197,-3.2 -2,-0.4 2,-0.5 -0.973 9.3-161.8-117.4 120.8 -40.3 63.7 -18.8 33 34 A I E -bc 10 229A 2 -24,-3.5 -22,-2.6 -2,-0.6 2,-0.4 -0.909 8.9-173.4-113.3 120.5 -36.9 62.2 -19.7 34 35 A E - 0 0 12 195,-3.1 198,-3.0 -2,-0.5 -24,-0.0 -0.917 22.9-152.1-125.9 131.3 -36.6 60.5 -23.2 35 36 A A S S+ 0 0 18 -2,-0.4 -1,-0.1 196,-0.2 4,-0.1 0.862 76.2 64.1 -65.5 -39.9 -33.8 58.4 -24.7 36 37 A R S S- 0 0 26 2,-0.3 195,-3.2 195,-0.2 196,-0.3 -0.170 90.8-108.7 -87.7 174.9 -34.4 59.2 -28.3 37 38 A D S S+ 0 0 115 193,-0.2 2,-0.3 194,-0.1 193,-0.1 0.102 101.3 37.0 -84.9 19.0 -34.4 62.4 -30.4 38 39 A R S S- 0 0 27 6,-0.0 -2,-0.3 0, 0.0 2,-0.2 -0.962 78.8-117.1-155.7 168.1 -38.2 62.3 -30.6 39 40 A V S S+ 0 0 13 -2,-0.3 -26,-0.2 1,-0.1 179,-0.1 -0.596 77.7 70.8-100.5 174.6 -41.3 61.4 -28.6 40 41 A G > - 0 0 0 -28,-2.8 3,-2.3 -2,-0.2 2,-0.3 0.044 64.3-157.9 109.9 -29.5 -43.8 58.7 -29.4 41 42 A G T 3 S+ 0 0 10 1,-0.3 -28,-0.1 -28,-0.2 348,-0.1 -0.335 83.3 9.3 61.6-116.3 -41.8 55.5 -28.7 42 43 A R T 3 S+ 0 0 52 -2,-0.3 15,-2.4 14,-0.1 2,-0.5 0.422 123.0 78.2 -77.8 -2.7 -43.5 52.7 -30.7 43 44 A T < + 0 0 4 -3,-2.3 2,-0.3 13,-0.3 15,-0.1 -0.951 62.3 149.8 -99.4 134.5 -45.6 55.3 -32.4 44 45 A W - 0 0 49 -2,-0.5 11,-2.2 13,-0.4 12,-0.9 -0.872 33.0-156.7-164.6 128.6 -43.6 57.1 -35.1 45 46 A T E +I 54 0B 37 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.931 28.5 164.3-111.7 129.1 -44.5 58.8 -38.5 46 47 A D E -I 53 0B 59 7,-2.4 7,-2.7 -2,-0.5 2,-0.6 -0.912 36.1-121.4-141.7 167.4 -41.6 59.0 -40.9 47 48 A T E -I 52 0B 78 -2,-0.3 2,-0.5 5,-0.2 5,-0.3 -0.948 24.9-172.5-120.9 116.1 -40.9 59.7 -44.6 48 49 A I E > S-I 51 0B 19 3,-2.9 3,-2.4 -2,-0.6 -2,-0.0 -0.933 73.7 -16.6-112.2 121.8 -39.1 56.9 -46.6 49 50 A D T 3 S- 0 0 135 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.878 130.6 -51.7 51.2 40.5 -38.0 57.7 -50.1 50 51 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.459 117.6 112.4 79.2 5.2 -40.4 60.6 -50.2 51 52 A A E < -I 48 0B 3 -3,-2.4 -3,-2.9 248,-0.0 2,-0.3 -0.919 63.4-132.2-115.3 132.3 -43.4 58.5 -49.0 52 53 A V E +I 47 0B 68 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.677 33.7 169.8 -88.1 138.0 -45.0 59.1 -45.5 53 54 A L E -I 46 0B 2 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.9 -0.953 40.9-118.7-143.8 154.7 -45.6 56.0 -43.4 54 55 A E E -I 45 0B 8 -2,-0.3 -9,-0.2 -9,-0.2 4,-0.1 -0.872 26.8-171.1 -97.3 106.6 -46.6 55.0 -39.9 55 56 A I + 0 0 2 -11,-2.2 -1,-0.2 -2,-0.9 -10,-0.1 0.813 66.4 8.4 -70.7 -28.3 -43.7 53.1 -38.9 56 57 A G S S+ 0 0 11 -12,-0.9 -13,-0.3 1,-0.4 157,-0.1 -0.039 112.5 5.2-124.4-136.2 -45.4 51.8 -35.6 57 58 A G + 0 0 30 -15,-2.4 -1,-0.4 1,-0.1 -13,-0.4 -0.200 60.2 145.5 -56.3 143.0 -48.8 51.8 -33.8 58 59 A Q + 0 0 5 1,-0.2 151,-0.5 155,-0.1 2,-0.3 0.574 29.9 91.6-152.5 -21.3 -51.6 53.3 -35.9 59 60 A W - 0 0 33 149,-0.1 2,-0.4 147,-0.0 149,-0.2 -0.737 43.9-160.4-105.6 147.5 -55.1 51.8 -35.5 60 61 A V B -J 207 0C 5 147,-2.9 147,-2.4 -2,-0.3 146,-0.2 -0.964 7.0-163.5-119.6 130.3 -58.0 52.7 -33.3 61 62 A S > - 0 0 1 -2,-0.4 3,-1.6 145,-0.2 7,-0.2 -0.687 34.9-107.8-104.1 164.0 -60.9 50.4 -32.5 62 63 A P T 3 S+ 0 0 61 0, 0.0 142,-0.1 0, 0.0 -1,-0.1 0.720 116.8 58.5 -65.6 -17.2 -64.3 51.4 -31.0 63 64 A D T 3 S+ 0 0 32 129,-0.2 2,-2.1 1,-0.2 3,-0.3 0.570 81.1 92.7 -82.3 -6.4 -63.4 49.7 -27.6 64 65 A Q <> + 0 0 4 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 -0.396 47.3 153.0 -87.7 65.4 -60.4 52.0 -27.2 65 66 A T H > + 0 0 79 -2,-2.1 4,-2.7 1,-0.2 5,-0.2 0.823 63.2 56.6 -74.3 -30.8 -62.2 54.6 -25.3 66 67 A A H > S+ 0 0 9 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.936 113.3 43.1 -62.2 -47.2 -59.3 56.1 -23.3 67 68 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.945 114.1 49.5 -61.0 -51.9 -57.5 56.8 -26.7 68 69 A I H X S+ 0 0 73 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 111.4 50.2 -55.6 -46.1 -60.7 58.2 -28.5 69 70 A S H X S+ 0 0 73 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.934 110.9 50.0 -61.9 -37.1 -61.4 60.4 -25.5 70 71 A L H X S+ 0 0 2 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.878 105.8 55.1 -69.6 -38.1 -57.7 61.7 -25.6 71 72 A L H <>S+ 0 0 5 -4,-2.4 5,-3.0 2,-0.2 4,-0.4 0.920 107.7 50.0 -57.9 -49.5 -57.8 62.4 -29.4 72 73 A D H ><5S+ 0 0 134 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.979 109.5 50.9 -52.7 -55.5 -60.9 64.6 -28.9 73 74 A E H 3<5S+ 0 0 96 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 112.8 47.4 -50.9 -32.0 -59.1 66.5 -26.0 74 75 A L T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.414 116.0-113.1 -95.4 3.9 -56.1 67.1 -28.3 75 76 A G T < 5 + 0 0 53 -3,-2.3 2,-0.4 -4,-0.4 -3,-0.2 0.790 68.6 142.6 73.5 25.7 -58.2 68.2 -31.3 76 77 A L < - 0 0 12 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.803 33.3-157.9-104.8 145.5 -57.3 65.1 -33.4 77 78 A K - 0 0 157 -2,-0.4 133,-2.6 133,-0.3 2,-0.3 -0.724 6.7-137.8-114.5 165.8 -59.8 63.4 -35.8 78 79 A T E -K 209 0C 50 131,-0.3 2,-0.3 -2,-0.3 131,-0.2 -0.759 8.4-160.3-120.0 162.6 -59.9 59.9 -37.2 79 80 A F E -K 208 0C 31 129,-2.4 129,-2.5 -2,-0.3 2,-0.4 -0.963 26.0-108.3-136.3 159.3 -60.6 58.3 -40.6 80 81 A E E -K 207 0C 110 -2,-0.3 127,-0.2 127,-0.2 126,-0.1 -0.717 27.5-111.4 -96.1 143.4 -61.6 54.8 -41.5 81 82 A R - 0 0 5 125,-2.3 2,-0.1 -2,-0.4 246,-0.1 -0.398 46.3 -99.5 -59.3 132.7 -59.5 52.2 -43.3 82 83 A Y + 0 0 65 246,-0.2 244,-0.4 1,-0.1 -1,-0.1 -0.429 52.3 162.5 -55.0 129.8 -60.9 51.5 -46.7 83 84 A R + 0 0 53 -2,-0.1 228,-0.2 -3,-0.1 -1,-0.1 0.194 21.1 131.4-135.1 14.3 -62.9 48.2 -46.6 84 85 A E + 0 0 115 227,-0.2 2,-0.1 226,-0.1 -2,-0.0 -0.449 59.7 4.8 -78.2 148.9 -65.2 48.2 -49.8 85 86 A G S S- 0 0 42 -2,-0.1 2,-0.3 226,-0.1 225,-0.2 -0.448 102.6 -10.4 84.6-155.4 -65.4 45.1 -52.0 86 87 A E E -l 310 0D 68 223,-2.6 225,-2.7 -2,-0.1 226,-0.6 -0.603 47.6-149.0 -96.6 139.1 -63.9 41.7 -51.6 87 88 A S E - M 0 99D 12 12,-3.0 12,-2.6 -2,-0.3 2,-0.4 -0.530 21.3-125.9 -86.2 161.2 -61.3 40.3 -49.2 88 89 A V E -lM 314 98D 0 225,-2.4 227,-2.3 10,-0.2 2,-0.4 -0.969 18.8-167.9-114.1 132.6 -59.0 37.5 -50.1 89 90 A Y E -lM 315 97D 2 8,-2.3 8,-2.4 -2,-0.4 2,-0.6 -0.947 5.7-161.2-112.0 130.9 -58.4 34.1 -48.2 90 91 A I E - M 0 96D 8 225,-2.6 228,-0.4 -2,-0.4 227,-0.3 -0.964 19.2-148.4-111.4 116.5 -55.6 31.7 -48.9 91 92 A S > - 0 0 10 4,-2.3 3,-1.5 -2,-0.6 227,-0.1 -0.110 29.3-101.6 -75.8 172.5 -56.3 28.3 -47.5 92 93 A S T 3 S+ 0 0 58 1,-0.3 -1,-0.1 2,-0.1 224,-0.0 0.757 125.1 60.1 -62.3 -26.9 -53.8 25.7 -46.2 93 94 A A T 3 S- 0 0 94 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.395 122.6-109.8 -79.9 3.2 -54.2 23.9 -49.5 94 95 A G < + 0 0 54 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.608 68.5 151.4 77.5 12.2 -52.9 27.1 -51.2 95 96 A E - 0 0 125 1,-0.0 -4,-2.3 2,-0.0 2,-0.5 -0.659 35.6-147.8 -83.9 131.6 -56.3 27.9 -52.7 96 97 A R E +M 90 0D 102 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.839 21.1 173.3-103.5 123.9 -57.2 31.6 -53.2 97 98 A T E -M 89 0D 43 -8,-2.4 -8,-2.3 -2,-0.5 2,-0.2 -0.990 26.0-138.4-133.9 127.9 -60.8 32.7 -52.9 98 99 A R E +M 88 0D 87 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.536 38.4 163.0 -72.1 143.7 -62.4 36.3 -53.0 99 100 A Y E -M 87 0D 23 -12,-2.6 -12,-3.0 -2,-0.2 2,-0.3 -0.985 28.9-160.1-158.4 160.7 -65.1 36.7 -50.3 100 101 A T + 0 0 93 -2,-0.3 3,-0.3 -14,-0.2 -14,-0.1 -0.824 53.4 56.8-128.3 172.3 -67.2 39.2 -48.3 101 102 A G S S- 0 0 58 -2,-0.3 -14,-0.1 1,-0.2 -2,-0.0 -0.362 95.9 -53.8 95.7-179.9 -69.0 38.7 -45.0 102 103 A D S S+ 0 0 169 -2,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.200 105.1 49.2 -97.8 17.5 -68.0 37.6 -41.6 103 104 A S S S- 0 0 39 -3,-0.3 -3,-0.1 3,-0.0 8,-0.0 -0.986 84.8 -91.3-147.6 163.9 -66.2 34.3 -42.1 104 105 A F - 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0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 6,-0.0 -0.987 43.1-157.2-144.7 143.6 -47.1 8.0 -19.1 606 157 B D S S+ 0 0 155 -2,-0.4 2,-0.9 -3,-0.1 -1,-0.1 0.435 70.9 104.0 -88.0 -1.0 -50.4 7.7 -17.2 607 158 B D > - 0 0 29 1,-0.2 4,-2.3 -48,-0.1 5,-0.2 -0.739 53.0-167.0 -91.2 104.8 -48.6 7.4 -13.9 608 159 B A H > S+ 0 0 54 -2,-0.9 4,-2.4 1,-0.3 -1,-0.2 0.902 87.6 47.6 -54.5 -48.1 -48.9 10.7 -12.0 609 160 B E H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.841 110.3 51.2 -64.8 -42.6 -46.3 9.7 -9.4 610 161 B A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 111.3 48.4 -60.5 -43.5 -43.8 8.5 -11.9 611 162 B R H X S+ 0 0 53 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.881 111.7 51.4 -66.2 -38.6 -44.1 11.8 -13.9 612 163 B D H X S+ 0 0 80 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.842 110.7 45.9 -66.4 -35.9 -43.7 13.8 -10.7 613 164 B N H X S+ 0 0 1 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.897 111.6 51.3 -75.8 -41.2 -40.6 12.1 -9.7 614 165 B I H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.7 0.958 112.7 47.7 -56.1 -48.1 -39.1 12.3 -13.2 615 166 B G H >X>S+ 0 0 10 -4,-2.7 4,-1.8 1,-0.2 5,-1.1 0.811 99.8 68.0 -56.9 -33.5 -39.8 16.1 -13.1 616 167 B L H 3<>S+ 0 0 5 -4,-1.3 5,-1.0 1,-0.2 -1,-0.2 0.884 100.8 48.9 -56.3 -36.1 -38.3 16.3 -9.6 617 168 B F H <<5S+ 0 0 13 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.762 125.1 24.1 -79.3 -25.6 -34.9 15.6 -11.1 618 169 B I H S+ 0 0 0 -4,-0.7 5,-3.0 -3,-0.6 4,-1.2 0.847 127.6 37.0-104.4 -51.7 -35.1 18.2 -14.0 619 170 B A I <>S+ 0 0 7 -4,-1.8 6,-1.1 3,-0.2 5,-0.7 0.968 134.2 18.7 -73.8 -60.6 -37.5 20.9 -13.0 620 171 B G I 4 - 0 0 11 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.279 37.1-117.2 -66.6 152.0 -41.8 24.4 -13.3 627 178 B A T 3 S+ 0 0 23 1,-0.3 -29,-2.2 2,-0.2 3,-0.4 0.640 111.0 61.9 -67.2 -20.7 -42.2 21.6 -15.8 628 179 B H T 3 S+ 0 0 9 -31,-0.2 -1,-0.3 1,-0.2 -32,-0.1 0.538 99.1 59.6 -77.2 -5.3 -44.9 23.4 -17.7 629 180 B S S < S+ 0 0 8 -3,-2.2 221,-0.6 -228,-0.1 2,-0.3 0.532 101.7 43.8-112.0 -1.9 -42.5 26.3 -18.5 630 181 B F S S- 0 0 0 -3,-0.4 -33,-3.0 -4,-0.3 -32,-0.4 -0.912 84.1-101.5-135.1 165.3 -39.6 24.7 -20.4 631 182 B S B > -K 596 0K 0 -35,-0.3 4,-1.8 -2,-0.3 3,-0.3 -0.368 22.1-114.0 -90.8 159.4 -39.6 22.1 -23.3 632 183 B A H > S+ 0 0 2 -37,-2.2 4,-2.5 -40,-0.7 -39,-0.2 0.911 119.4 57.6 -46.0 -43.5 -38.9 18.4 -23.6 633 184 B L H > S+ 0 0 0 -41,-1.9 4,-2.7 -38,-0.3 -1,-0.2 0.882 102.9 52.9 -59.8 -37.8 -35.8 19.3 -25.6 634 185 B Q H > S+ 0 0 5 -3,-0.3 4,-1.7 -42,-0.3 -1,-0.2 0.882 107.8 50.8 -67.8 -35.3 -34.5 21.4 -22.7 635 186 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.909 110.5 50.1 -62.2 -41.8 -34.9 18.4 -20.4 636 187 B V H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.939 109.8 50.2 -63.8 -43.0 -32.9 16.3 -23.0 637 188 B L H X S+ 0 0 12 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.853 108.4 51.6 -62.9 -39.8 -30.2 18.9 -23.1 638 189 B M H X S+ 0 0 0 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.969 113.4 45.5 -63.8 -51.2 -29.8 19.0 -19.3 639 190 B A H ><>S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 5,-0.8 0.918 114.9 47.1 -48.5 -54.3 -29.5 15.2 -19.3 640 191 B A H ><5S+ 0 0 14 -4,-3.2 3,-1.6 1,-0.2 -60,-0.3 0.893 106.1 58.8 -62.8 -38.7 -27.0 15.1 -22.2 641 192 B S H 3<5S+ 0 0 1 -4,-2.5 237,-2.5 1,-0.3 -1,-0.2 0.765 109.0 44.7 -62.0 -27.9 -24.9 17.9 -20.6 642 193 B A T <<5S- 0 0 4 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.272 125.0 -99.0 -99.6 6.8 -24.4 15.8 -17.5 643 194 B G T < 5S- 0 0 40 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 -0.053 90.1 -8.3 102.8 -32.2 -23.6 12.6 -19.5 644 195 B S >< - 0 0 19 -5,-0.8 4,-0.6 -6,-0.1 -72,-0.1 -0.881 68.9-106.3-177.2 162.8 -27.0 10.8 -19.2 645 196 B F H >> S+ 0 0 0 -2,-0.3 3,-1.3 -77,-0.2 4,-1.2 0.861 118.1 65.6 -66.8 -36.9 -30.3 11.3 -17.5 646 197 B S H >> S+ 0 0 45 1,-0.3 4,-1.6 -78,-0.2 3,-0.7 0.910 96.3 57.3 -55.1 -38.4 -29.3 8.4 -15.2 647 198 B H H 34 S+ 0 0 55 1,-0.2 7,-0.9 2,-0.2 -1,-0.3 0.818 106.2 47.6 -57.6 -32.4 -26.4 10.5 -13.9 648 199 B L H << S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.638 108.7 56.4 -83.1 -17.1 -28.9 13.3 -12.8 649 200 B V H << S+ 0 0 27 -4,-1.2 2,-0.9 -3,-0.7 -2,-0.2 0.843 96.4 68.8 -81.7 -33.8 -31.0 10.7 -11.1 650 201 B D >X - 0 0 49 -4,-1.6 3,-2.7 1,-0.2 4,-1.7 -0.748 63.1-164.8 -93.6 104.9 -28.3 9.3 -8.9 651 202 B E H 3> S+ 0 0 26 -2,-0.9 4,-1.2 1,-0.3 -1,-0.2 0.733 89.0 68.1 -63.4 -18.6 -27.3 11.8 -6.2 652 203 B D H 34 S+ 0 0 52 2,-0.1 -1,-0.3 1,-0.1 -121,-0.1 0.701 109.9 35.3 -72.0 -16.9 -24.1 9.7 -5.7 653 204 B F H X4 S+ 0 0 34 -3,-2.7 3,-1.3 -6,-0.2 4,-0.2 0.888 125.6 32.6 -96.4 -64.6 -23.0 10.7 -9.2 654 205 B I H 3< S+ 0 0 7 -4,-1.7 -3,-0.2 -7,-0.9 3,-0.2 0.826 131.4 35.0 -70.9 -30.5 -24.1 14.3 -9.7 655 206 B L T 3< S+ 0 0 15 -4,-1.2 -1,-0.3 -5,-0.4 -124,-0.2 -0.282 86.8 123.4-110.3 41.1 -23.7 15.3 -6.0 656 207 B D < + 0 0 16 -3,-1.3 -125,-2.7 -146,-0.2 2,-0.2 0.975 66.0 15.0 -71.7 -58.9 -20.6 13.0 -5.4 657 208 B K E -CD 510 530I 68 -147,-2.3 -147,-2.0 -4,-0.2 2,-0.3 -0.743 51.1-156.9-120.1 165.8 -17.8 15.3 -4.2 658 209 B R E - 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