==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-MAR-11 3AWN . COMPND 2 MOLECULE: D-SERINE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.TANAKA,M.SENDA,N.VENUGOPALAN,A.YAMAMOTO,T.SENDA,T.ISHIDA,K . 368 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.5 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 . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 2 1 1 1 1 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 3 0 1 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 2 4 1 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 1 0 1 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 1 A M 0 0 183 0, 0.0 363,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.6 15.3 54.4 38.6 2 2 A W > + 0 0 85 3,-0.1 3,-2.1 2,-0.0 359,-0.2 0.093 360.0 159.8-127.4 22.1 18.1 55.7 36.4 3 3 A L T 3 S+ 0 0 104 1,-0.3 359,-0.2 359,-0.1 3,-0.1 -0.158 78.0 7.2 -45.0 137.1 19.2 59.2 37.4 4 4 A G T 3 S+ 0 0 52 357,-3.3 -1,-0.3 1,-0.2 358,-0.1 0.213 93.3 145.2 78.7 -17.0 22.6 60.1 36.0 5 5 A A < - 0 0 22 -3,-2.1 356,-2.9 355,-0.2 2,-0.3 -0.127 56.1-107.9 -57.4 147.6 22.9 56.9 33.9 6 6 A L B > -A 360 0A 111 354,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.611 29.8-119.8 -76.1 139.2 24.6 57.1 30.6 7 7 A L G > S+ 0 0 35 352,-1.9 3,-2.0 1,-0.3 -1,-0.1 0.855 110.3 53.8 -46.5 -55.8 22.2 56.8 27.6 8 8 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 351,-0.1 4,-0.1 0.203 99.8 68.6 -74.8 23.5 23.5 53.7 26.0 9 9 A T G < S+ 0 0 76 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.544 77.4 105.1-105.7 -19.1 23.0 52.0 29.4 10 10 A L S < S- 0 0 1 -3,-2.0 2,-0.7 -4,-0.4 4,-0.1 -0.214 84.0-102.9 -63.2 150.4 19.2 52.2 29.3 11 11 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 254,-0.1 -0.662 62.1-108.1 -70.6 112.1 17.0 49.1 28.7 12 12 A T S S+ 0 0 21 -2,-0.7 254,-0.2 2,-0.1 2,-0.1 -0.480 95.6 58.6 -91.2 165.2 15.9 49.6 25.1 13 13 A P S S+ 0 0 38 0, 0.0 2,-0.4 0, 0.0 253,-0.2 0.568 80.5 161.8 -68.2 147.0 13.7 50.3 23.2 14 14 A A E -B 265 0A 2 251,-2.0 251,-3.0 -2,-0.1 2,-0.3 -0.987 38.7-133.1-146.9 127.4 13.6 53.5 25.1 15 15 A L E -B 264 0A 0 337,-0.5 339,-2.6 -2,-0.4 2,-0.4 -0.660 30.5-164.1 -80.9 135.3 12.0 56.9 24.2 16 16 A T E -Bc 263 354A 2 247,-3.0 247,-1.8 -2,-0.3 2,-0.5 -0.959 14.0-163.1-127.4 141.5 14.4 59.7 24.9 17 17 A I E -Bc 262 355A 0 337,-2.6 339,-2.6 -2,-0.4 2,-0.9 -0.980 17.7-140.0-126.5 122.7 14.0 63.4 25.3 18 18 A D E > - c 0 356A 48 243,-2.0 4,-2.3 -2,-0.5 5,-0.2 -0.704 14.8-161.5 -75.0 104.6 16.9 65.9 25.1 19 19 A R H > S+ 0 0 82 337,-2.4 4,-2.8 -2,-0.9 5,-0.3 0.860 88.4 57.0 -66.6 -31.0 15.9 68.3 27.8 20 20 A T H > S+ 0 0 65 336,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.978 110.5 43.3 -54.9 -56.4 18.2 70.9 26.4 21 21 A T H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.831 115.2 50.5 -59.1 -38.0 16.5 70.8 23.0 22 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.934 110.8 45.9 -67.5 -49.2 13.1 70.7 24.7 23 23 A R H X S+ 0 0 83 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.947 114.1 51.3 -59.3 -46.8 13.7 73.7 26.9 24 24 A R H X S+ 0 0 99 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.920 109.9 49.2 -55.6 -49.0 15.1 75.5 23.9 25 25 A N H X S+ 0 0 4 -4,-2.6 4,-1.9 218,-0.2 -1,-0.2 0.880 111.8 49.0 -56.5 -40.2 11.9 74.6 21.9 26 26 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.979 113.7 43.9 -67.5 -54.0 9.7 75.9 24.7 27 27 A E H X S+ 0 0 65 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.884 109.6 57.8 -60.3 -38.0 11.4 79.2 25.1 28 28 A R H X S+ 0 0 104 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.962 109.6 43.1 -59.1 -47.6 11.7 79.7 21.4 29 29 A M H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.887 111.4 55.7 -67.8 -33.9 7.9 79.4 21.0 30 30 A R H X S+ 0 0 103 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.881 109.6 47.2 -58.4 -39.7 7.4 81.6 24.1 31 31 A E H X S+ 0 0 96 -4,-2.5 4,-4.0 2,-0.2 -2,-0.2 0.916 106.1 56.1 -73.3 -42.1 9.5 84.3 22.4 32 32 A R H X S+ 0 0 44 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.943 111.5 45.2 -51.8 -49.6 7.8 84.1 19.1 33 33 A C H X>S+ 0 0 2 -4,-2.0 5,-1.9 2,-0.2 4,-1.3 0.951 111.4 51.6 -60.7 -48.2 4.5 84.8 20.9 34 34 A R H ><5S+ 0 0 162 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.949 110.7 50.4 -50.4 -47.3 6.2 87.6 22.9 35 35 A A H 3<5S+ 0 0 63 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.925 113.3 43.8 -60.3 -45.9 7.4 89.0 19.6 36 36 A L H 3<5S- 0 0 32 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.567 110.8-123.1 -72.8 -10.1 3.9 88.9 18.0 37 37 A G T <<5S+ 0 0 62 -4,-1.3 2,-0.3 -3,-1.0 -3,-0.2 0.878 70.7 117.8 66.5 37.7 2.4 90.3 21.2 38 38 A V < - 0 0 17 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.862 66.1-101.2-128.9 168.2 -0.0 87.4 21.8 39 39 A R E -k 236 0B 149 196,-3.1 198,-2.1 -2,-0.3 2,-0.6 -0.608 27.5-136.0 -89.6 146.5 -0.5 84.7 24.4 40 40 A L E -k 237 0B 28 -2,-0.2 198,-0.2 196,-0.2 196,-0.1 -0.891 19.0-179.7-103.1 118.6 0.7 81.1 24.1 41 41 A R - 0 0 3 196,-2.3 23,-0.2 -2,-0.6 22,-0.1 -0.800 22.5-151.6-112.6 92.4 -1.5 78.2 25.1 42 42 A P - 0 0 3 0, 0.0 23,-1.9 0, 0.0 2,-0.3 -0.352 9.4-130.0 -64.7 135.7 0.6 75.1 24.4 43 43 A H B -l 65 0B 20 196,-2.5 3,-0.3 21,-0.2 23,-0.2 -0.701 13.8-156.7 -82.0 136.5 -1.3 71.9 23.6 44 44 A V >> + 0 0 0 21,-2.7 4,-3.5 -2,-0.3 3,-1.7 0.418 61.1 103.9 -97.7 3.3 -0.0 68.9 25.7 45 45 A K T 34 S+ 0 0 80 1,-0.3 -1,-0.2 20,-0.3 21,-0.1 0.683 70.6 64.0 -68.9 -17.4 -0.9 65.9 23.6 46 46 A T T 34 S+ 0 0 3 -3,-0.3 -1,-0.3 1,-0.1 301,-0.1 0.731 127.5 7.0 -74.0 -19.0 2.5 65.2 22.3 47 47 A H T <4 S- 0 0 3 -3,-1.7 -2,-0.2 2,-0.1 3,-0.1 0.658 73.5-157.0-131.4 -31.7 3.8 64.4 25.7 48 48 A K < + 0 0 38 -4,-3.5 320,-1.5 1,-0.2 2,-0.4 0.893 49.9 134.5 49.5 44.6 0.9 64.4 28.2 49 49 A T > - 0 0 0 -5,-0.3 4,-3.4 318,-0.2 -1,-0.2 -0.967 63.1-139.1-128.0 142.6 3.3 65.1 31.0 50 50 A L H > S+ 0 0 46 -2,-0.4 4,-3.3 316,-0.3 5,-0.2 0.927 112.7 47.6 -56.9 -47.6 3.3 67.5 34.0 51 51 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.965 111.6 50.8 -59.1 -51.2 7.0 68.1 33.4 52 52 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.951 112.6 45.6 -48.1 -57.4 6.2 68.6 29.7 53 53 A G H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 6,-0.3 0.907 108.1 57.9 -54.8 -46.1 3.5 71.1 30.5 54 54 A L H <>S+ 0 0 56 -4,-3.3 5,-1.9 1,-0.2 6,-0.2 0.917 109.5 44.8 -51.2 -48.0 5.7 72.9 33.0 55 55 A L H ><5S+ 0 0 35 -4,-2.5 3,-2.3 -3,-0.2 -2,-0.2 0.979 113.7 48.1 -59.6 -54.1 8.3 73.5 30.3 56 56 A A H 3<5S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.876 112.8 49.4 -55.5 -36.5 5.8 74.6 27.7 57 57 A T T ><5S- 0 0 10 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.3 0.295 112.7-116.7 -93.3 3.3 4.1 76.9 30.1 58 58 A G T < 5S- 0 0 30 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.606 70.2 -56.8 70.7 16.1 7.4 78.5 31.3 59 59 A G T 3 S- 0 0 16 1,-0.1 4,-2.5 303,-0.1 3,-0.1 -0.985 74.8-117.6-150.8 156.1 -9.0 64.2 26.6 69 69 A L H > S+ 0 0 8 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.827 115.5 62.8 -67.6 -30.2 -10.7 64.4 30.0 70 70 A A H > S+ 0 0 6 2,-0.2 4,-2.9 300,-0.2 -1,-0.2 0.949 106.4 42.4 -53.0 -52.4 -8.0 62.1 31.3 71 71 A E H > S+ 0 0 0 299,-0.2 4,-3.6 2,-0.2 5,-0.3 0.951 112.3 55.0 -64.8 -43.4 -5.4 64.9 30.5 72 72 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.957 112.8 42.2 -48.4 -57.6 -7.7 67.5 31.9 73 73 A R H X S+ 0 0 87 -4,-3.0 4,-3.7 2,-0.2 5,-0.2 0.940 114.9 50.6 -53.3 -55.9 -8.0 65.6 35.2 74 74 A F H X S+ 0 0 59 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.933 114.1 44.1 -48.2 -53.9 -4.2 64.8 35.3 75 75 A F H ><>S+ 0 0 0 -4,-3.6 5,-2.5 -5,-0.2 3,-0.8 0.929 113.9 49.5 -65.6 -37.4 -3.3 68.4 34.7 76 76 A A H ><5S+ 0 0 13 -4,-2.9 3,-1.7 -5,-0.3 -2,-0.2 0.931 109.5 52.2 -66.3 -42.2 -5.9 69.6 37.2 77 77 A D H 3<5S+ 0 0 112 -4,-3.7 -1,-0.3 1,-0.3 -2,-0.2 0.688 106.7 55.7 -64.7 -15.5 -4.6 67.1 39.8 78 78 A G T <<5S- 0 0 20 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.321 126.3 -96.8-103.2 5.3 -1.1 68.5 39.2 79 79 A G T < 5S+ 0 0 39 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.522 76.5 138.7 95.2 7.3 -2.0 72.0 39.9 80 80 A F < + 0 0 3 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.429 23.4 175.8 -78.1 159.4 -2.6 73.5 36.4 81 81 A D E +m 62 0B 17 -20,-1.1 -18,-2.1 1,-0.2 -17,-0.1 -0.911 53.1 60.6-151.6 179.6 -5.5 75.8 35.6 82 82 A D E S+ 0 0 40 24,-0.6 -18,-1.8 -2,-0.3 2,-0.5 0.996 73.5 171.3 53.1 60.3 -6.7 77.8 32.6 83 83 A I E -mn 64 107B 0 23,-1.9 25,-2.2 -20,-0.2 2,-0.6 -0.925 23.9-154.9-109.5 117.8 -7.0 74.5 30.9 84 84 A L E -mn 65 108B 0 -20,-3.2 -18,-2.7 -2,-0.5 2,-1.2 -0.860 9.6-146.3 -96.5 121.8 -8.8 74.3 27.5 85 85 A L E -mn 66 109B 2 23,-2.4 2,-2.1 -2,-0.6 25,-0.5 -0.736 18.2-156.1 -83.3 95.6 -10.3 71.0 26.5 86 86 A A E + 0 0 12 -20,-1.7 -1,-0.1 -2,-1.2 23,-0.1 -0.449 58.2 84.6 -81.6 76.4 -9.6 71.4 22.8 87 87 A Y E S- 0 0 125 -2,-2.1 23,-0.9 -19,-0.0 2,-0.1 -0.957 96.4 -78.1-174.4 142.0 -12.3 69.2 21.6 88 88 A P E S- n 0 110B 40 0, 0.0 23,-0.2 0, 0.0 -2,-0.1 -0.366 70.3 -95.9 -60.1 123.0 -16.0 69.4 20.8 89 89 A V - 0 0 9 21,-3.3 2,-1.1 1,-0.2 23,-0.1 -0.098 37.5-123.4 -49.5 126.5 -17.4 69.3 24.3 90 90 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 7,-0.2 -0.595 23.7-168.2 -78.1 101.0 -18.4 65.7 25.0 91 91 A T G > S+ 0 0 56 -2,-1.1 3,-0.9 1,-0.3 -2,-0.1 0.770 83.0 62.4 -61.4 -26.9 -22.1 65.9 25.9 92 92 A A G 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.493 106.9 44.9 -77.8 1.0 -22.1 62.3 27.1 93 93 A R G <> S+ 0 0 82 -3,-2.0 4,-1.8 1,-0.1 3,-0.4 -0.118 71.1 128.9-130.8 37.3 -19.6 63.2 29.9 94 94 A L H <> + 0 0 16 -3,-0.9 4,-3.0 1,-0.2 5,-0.3 0.849 64.3 64.1 -69.7 -32.8 -21.0 66.4 31.2 95 95 A E H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 108.8 44.7 -54.9 -41.2 -21.0 65.5 34.8 96 96 A E H > S+ 0 0 63 -3,-0.4 4,-2.0 2,-0.2 5,-0.2 0.923 110.6 50.8 -68.2 -46.3 -17.2 65.3 34.5 97 97 A C H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.930 112.8 48.3 -56.7 -43.6 -16.8 68.5 32.5 98 98 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.914 106.1 58.5 -61.5 -45.6 -18.9 70.3 35.2 99 99 A G H X S+ 0 0 30 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.889 111.6 40.0 -44.9 -47.4 -16.8 68.6 37.9 100 100 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.881 109.8 57.6 -79.2 -37.3 -13.6 70.3 36.5 101 101 A A H < S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.877 109.1 49.3 -57.9 -34.5 -15.3 73.6 35.7 102 102 A R H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 112.5 44.8 -74.7 -37.1 -16.2 73.7 39.4 103 103 A R H < S+ 0 0 126 -4,-1.5 2,-0.3 -5,-0.2 -2,-0.2 0.841 108.9 68.7 -68.5 -34.4 -12.6 72.9 40.7 104 104 A L < - 0 0 10 -4,-2.4 3,-0.3 1,-0.1 -23,-0.1 -0.651 68.8-143.9-103.2 143.0 -10.9 75.3 38.3 105 105 A D S S+ 0 0 143 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.917 101.2 18.6 -59.0 -41.9 -10.8 79.0 38.1 106 106 A A + 0 0 21 2,-0.0 -23,-1.9 -3,-0.0 -24,-0.6 -0.860 65.1 159.0-139.5 104.3 -10.8 78.6 34.3 107 107 A F E -n 83 0B 6 -2,-0.4 25,-0.7 -3,-0.3 2,-0.3 -0.992 25.0-161.4-118.1 122.7 -11.8 75.4 32.4 108 108 A H E -no 84 132B 12 -25,-2.2 -23,-2.4 -2,-0.5 2,-0.3 -0.783 7.1-168.3-108.7 146.8 -12.7 76.1 28.8 109 109 A V E -no 85 133B 1 23,-3.0 25,-2.5 -2,-0.3 2,-0.3 -0.878 9.8-142.2-128.1 165.1 -14.7 74.0 26.4 110 110 A L E +no 88 134B 0 -23,-0.9 -21,-3.3 -25,-0.5 2,-0.3 -0.880 19.3 173.2-117.5 151.2 -15.3 74.1 22.7 111 111 A L E - o 0 135B 1 23,-1.9 25,-1.4 -2,-0.3 -2,-0.0 -0.984 21.8-177.3-151.8 164.2 -18.4 73.4 20.7 112 112 A D + 0 0 30 -2,-0.3 26,-0.1 23,-0.2 43,-0.1 0.299 64.9 71.2-141.1 10.3 -19.7 73.6 17.2 113 113 A R S >> S- 0 0 113 1,-0.1 3,-1.6 42,-0.1 4,-1.2 -0.997 70.8-133.0-133.5 133.0 -23.4 72.5 17.2 114 114 A P H 3> S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.871 107.5 62.3 -49.0 -39.3 -26.4 74.3 18.6 115 115 A E H 3> S+ 0 0 107 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.844 96.8 58.0 -58.4 -32.8 -27.5 71.0 20.4 116 116 A A H <> S+ 0 0 4 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.903 104.4 51.2 -64.3 -41.6 -24.3 71.1 22.4 117 117 A L H X S+ 0 0 20 -4,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.905 107.8 53.3 -59.8 -41.5 -25.3 74.5 23.7 118 118 A A H X S+ 0 0 51 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.979 107.6 50.5 -57.4 -51.9 -28.7 73.0 24.7 119 119 A S H < S+ 0 0 24 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.824 110.3 49.4 -56.8 -36.2 -27.0 70.3 26.6 120 120 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -1,-0.3 0.902 106.8 56.7 -68.1 -41.8 -24.9 72.8 28.5 121 121 A R H 3< S+ 0 0 105 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.853 105.7 50.0 -61.8 -36.2 -27.9 74.8 29.3 122 122 A Q T 3< S+ 0 0 155 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.487 110.1 52.7 -85.4 1.3 -29.6 71.8 30.9 123 123 A R S < S- 0 0 19 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.1 -0.557 80.4-174.3-123.8 69.4 -26.5 71.2 33.0 124 124 A P - 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