==== 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 HYDROLASE 27-DEC-06 2JCM . COMPND 2 MOLECULE: CYTOSOLIC PURINE 5'-NUCLEOTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.WALLDEN,P.STENMARK,C.ARROWSMITH,H.BERGLUND,R.BUSAM,R.COLLI . 467 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 2 0 1 2 1 2 1 2 2 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 PARALLEL BRIDGES PER LADDER . 3 4 3 3 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 . 2 1 0 1 0 0 0 1 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 T 0 0 127 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.2 -7.4 26.7 32.0 2 4 A S > - 0 0 20 58,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.598 360.0-106.4-105.8 167.5 -6.0 29.5 29.9 3 5 A W H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.794 122.5 53.3 -61.9 -32.8 -3.1 29.7 27.4 4 6 A S H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.779 104.9 55.9 -74.2 -24.4 -1.0 31.6 29.9 5 7 A D H > S+ 0 0 69 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.941 109.5 45.9 -65.6 -50.3 -1.7 28.7 32.3 6 8 A R H X S+ 0 0 77 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.963 114.9 47.5 -56.3 -56.5 -0.3 26.3 29.8 7 9 A L H X S+ 0 0 20 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.927 112.6 47.9 -47.3 -57.5 2.7 28.5 29.1 8 10 A Q H X S+ 0 0 26 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.840 107.8 56.7 -61.5 -31.9 3.5 29.1 32.8 9 11 A N H < S+ 0 0 102 -4,-2.3 4,-0.3 -3,-0.2 3,-0.3 0.928 111.7 42.2 -59.9 -46.1 3.2 25.3 33.4 10 12 A A H >< S+ 0 0 26 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.869 110.8 57.3 -68.4 -39.8 5.9 24.7 30.8 11 13 A A H 3< S+ 0 0 8 -4,-2.7 217,-0.6 1,-0.2 218,-0.3 0.793 97.6 61.8 -58.5 -31.3 7.9 27.6 32.2 12 14 A D T 3< S+ 0 0 112 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.583 88.5 94.7 -77.1 -11.2 8.1 26.1 35.7 13 15 A M S < S- 0 0 88 -3,-1.2 216,-0.2 -4,-0.3 2,-0.1 -0.641 76.3-124.6 -85.5 133.9 10.0 23.1 34.3 14 16 A P - 0 0 116 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.373 33.5-103.4 -62.8 155.8 13.8 22.8 34.3 15 17 A A - 0 0 34 213,-0.1 2,-0.8 -2,-0.1 7,-0.0 -0.778 23.6-158.2 -85.7 125.5 15.6 22.2 31.0 16 18 A N - 0 0 103 -2,-0.5 6,-0.0 1,-0.1 -1,-0.0 -0.896 9.7-174.6 -99.7 96.3 16.8 18.6 30.4 17 19 A M + 0 0 55 -2,-0.8 2,-0.1 4,-0.1 -1,-0.1 0.335 37.4 130.3 -83.6 5.4 19.5 19.3 27.8 18 20 A D > - 0 0 92 1,-0.1 4,-2.4 2,-0.1 3,-0.2 -0.461 65.7-128.4 -55.2 129.3 20.1 15.5 27.3 19 21 A K H > S+ 0 0 170 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.736 106.3 49.2 -64.3 -29.4 19.9 15.3 23.4 20 22 A H H > S+ 0 0 150 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.860 110.1 51.5 -75.5 -37.8 17.4 12.4 23.4 21 23 A A H > S+ 0 0 25 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.917 109.8 51.6 -61.2 -43.8 15.2 14.3 25.9 22 24 A L H X S+ 0 0 21 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.949 109.0 48.0 -57.4 -53.4 15.4 17.3 23.5 23 25 A K H < S+ 0 0 107 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.845 115.1 46.3 -55.6 -41.7 14.3 15.3 20.4 24 26 A K H >X S+ 0 0 161 -4,-1.9 3,-0.8 1,-0.2 4,-0.5 0.902 110.2 52.9 -66.6 -45.7 11.4 13.7 22.2 25 27 A Y H >< S+ 0 0 45 -4,-2.3 3,-0.8 1,-0.2 6,-0.4 0.849 106.8 50.0 -63.3 -43.0 10.2 17.0 23.8 26 28 A R T 3< S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.2 7,-0.2 0.478 95.6 68.9 -83.7 -7.5 9.9 19.0 20.6 27 29 A R T <4 S+ 0 0 158 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 0.719 83.4 91.5 -77.6 -22.0 7.9 16.4 18.7 28 30 A E S X< S- 0 0 91 -3,-0.8 3,-1.8 -4,-0.5 4,-0.5 -0.595 88.0-127.2 -69.8 134.1 5.1 17.3 21.2 29 31 A A G > S+ 0 0 31 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.839 105.2 59.0 -54.2 -40.4 3.0 20.1 19.7 30 32 A Y G 3 S+ 0 0 55 1,-0.3 -1,-0.3 412,-0.1 413,-0.2 0.716 114.9 35.3 -64.4 -23.2 3.3 22.3 22.7 31 33 A H G < S+ 0 0 20 -3,-1.8 -1,-0.3 -6,-0.4 -2,-0.2 0.275 95.6 110.6-116.8 8.4 7.1 22.4 22.4 32 34 A R < - 0 0 120 -3,-1.5 2,-0.5 -4,-0.5 411,-0.4 -0.505 60.3-137.9 -88.7 145.8 7.5 22.4 18.6 33 35 A V - 0 0 4 -7,-0.2 2,-0.3 414,-0.2 409,-0.2 -0.944 26.3-145.1 -96.6 129.2 8.7 25.2 16.3 34 36 A F E -A 441 0A 35 407,-3.4 407,-2.0 -2,-0.5 2,-0.4 -0.690 8.6-143.9 -99.8 149.6 6.4 25.2 13.2 35 37 A V E +A 440 0A 39 -2,-0.3 405,-0.2 405,-0.2 3,-0.1 -0.958 29.7 167.3-125.1 126.1 7.9 26.1 9.7 36 38 A N S S+ 0 0 35 403,-2.9 2,-0.3 -2,-0.4 403,-0.2 0.723 84.3 18.2 -98.9 -35.9 6.2 28.0 6.9 37 39 A R S S- 0 0 82 402,-1.4 -1,-0.4 401,-0.1 423,-0.1 -0.979 96.6 -94.3-134.6 144.9 9.5 28.5 4.9 38 40 A S - 0 0 50 -2,-0.3 2,-0.4 421,-0.2 420,-0.2 -0.344 42.3-174.6 -61.9 139.9 12.7 26.5 5.3 39 41 A L E -I 457 0B 1 418,-2.3 418,-2.5 400,-0.1 2,-0.9 -0.965 18.9-150.7-142.0 117.9 15.3 28.2 7.6 40 42 A A E > -I 456 0B 22 -2,-0.4 3,-1.7 416,-0.2 4,-0.5 -0.783 8.7-158.6 -86.5 105.3 18.8 27.0 8.1 41 43 A M G > S+ 0 0 2 414,-2.1 3,-1.2 -2,-0.9 -1,-0.2 0.761 86.9 69.4 -57.1 -28.1 19.7 28.1 11.7 42 44 A E G 3 S+ 0 0 141 413,-0.3 -1,-0.3 412,-0.3 412,-0.1 0.801 94.8 57.0 -63.3 -27.6 23.4 27.9 11.0 43 45 A K G < S+ 0 0 142 -3,-1.7 2,-0.4 411,-0.1 -1,-0.3 0.698 84.1 99.1 -71.2 -20.9 22.9 30.9 8.7 44 46 A I < + 0 0 5 -3,-1.2 300,-0.2 -4,-0.5 299,-0.1 -0.554 39.3 168.1 -76.8 123.3 21.5 33.0 11.6 45 47 A K + 0 0 107 298,-2.6 197,-2.9 -2,-0.4 2,-0.4 0.721 65.9 39.6-102.4 -29.5 24.1 35.3 13.0 46 48 A C E -bc 242 344A 1 297,-2.4 299,-2.8 195,-0.2 2,-0.5 -0.993 60.9-161.5-126.2 131.4 21.8 37.6 15.1 47 49 A F E -bc 243 345A 0 195,-2.8 197,-2.3 -2,-0.4 2,-0.4 -0.925 17.0-166.8-106.5 122.1 18.8 36.7 17.2 48 50 A G E -bc 244 346A 0 297,-3.0 299,-2.5 -2,-0.5 2,-0.4 -0.922 1.8-156.4-115.3 143.6 16.7 39.7 17.9 49 51 A F E -bc 245 347A 0 195,-2.4 197,-2.8 -2,-0.4 2,-0.2 -0.912 12.4-149.8-122.0 142.5 13.9 39.8 20.5 50 52 A X - 0 0 15 297,-2.0 5,-0.5 -2,-0.4 197,-0.2 -0.651 16.4-151.8 -90.5 163.4 10.7 41.8 21.1 51 53 A M >>> + 0 0 0 -2,-0.2 5,-2.5 195,-0.2 3,-1.8 0.868 66.0 71.6-103.4 -62.4 9.7 42.2 24.8 52 54 A D B 345S-j 56 0C 11 1,-0.3 297,-0.3 2,-0.2 5,-0.2 -0.451 121.6 -4.9 -70.9 126.9 6.0 42.7 25.3 53 55 A Y T 345S+ 0 0 1 3,-3.1 -1,-0.3 -2,-0.2 4,-0.2 0.653 134.9 64.0 62.9 18.1 4.0 39.4 24.7 54 56 A T T <45S+ 0 0 1 -3,-1.8 391,-0.3 2,-0.4 3,-0.2 0.481 122.0 3.4-125.0 -73.1 7.3 37.9 23.6 55 57 A L T <5S+ 0 0 9 -4,-0.9 2,-0.8 -5,-0.5 -3,-0.2 0.850 139.7 47.1 -80.1 -37.8 9.8 37.7 26.4 56 58 A A B - 0 0 43 164,-1.2 4,-3.0 -2,-0.4 5,-0.3 -0.279 44.9-105.6 -53.2 130.9 -0.8 36.3 32.4 60 62 A S T 4 S+ 0 0 3 1,-0.2 -58,-0.2 2,-0.2 -56,-0.1 -0.872 88.5 4.2-109.3 147.2 -4.4 35.8 31.2 61 63 A P T > S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 5,-0.2 -0.997 123.3 65.3 -81.9 1.0 -7.2 36.7 32.0 62 64 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.896 105.9 41.8 -44.8 -56.6 -5.6 38.8 34.8 63 65 A Y H X S+ 0 0 9 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.943 116.3 47.0 -64.4 -49.5 -3.7 41.3 32.5 64 66 A E H > S+ 0 0 4 -5,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.897 112.6 52.4 -55.1 -42.8 -6.6 41.7 30.0 65 67 A S H X S+ 0 0 49 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.915 109.4 48.6 -63.1 -42.1 -9.0 42.2 32.9 66 68 A L H X S+ 0 0 10 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.967 112.1 47.9 -58.5 -55.5 -6.7 44.9 34.4 67 69 A G H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.885 114.2 47.4 -50.8 -47.1 -6.4 46.8 31.1 68 70 A F H X S+ 0 0 5 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.906 110.2 52.1 -58.1 -52.8 -10.3 46.6 30.6 69 71 A E H X S+ 0 0 101 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.919 114.6 42.0 -54.0 -49.2 -11.0 47.8 34.1 70 72 A L H X S+ 0 0 8 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.828 112.6 53.3 -72.0 -33.4 -8.7 50.8 33.7 71 73 A T H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.935 110.3 48.8 -59.4 -46.1 -9.9 51.6 30.2 72 74 A V H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.944 111.0 49.9 -63.2 -42.4 -13.5 51.6 31.5 73 75 A E H X S+ 0 0 94 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.903 108.6 52.2 -65.0 -41.3 -12.6 53.9 34.4 74 76 A R H X S+ 0 0 71 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.944 111.2 47.9 -54.0 -52.0 -10.8 56.3 32.0 75 77 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-0.4 0.920 111.9 47.1 -58.9 -47.0 -14.0 56.4 29.8 76 78 A V H ><5S+ 0 0 25 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 0.961 108.6 59.4 -59.5 -42.5 -16.3 57.0 32.8 77 79 A S H 3<5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.4 46.4 -52.2 -35.1 -13.8 59.6 33.9 78 80 A I T 3<5S- 0 0 84 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.381 136.1 -80.5 -92.8 2.3 -14.3 61.6 30.6 79 81 A G T < 5S+ 0 0 65 -3,-2.2 -3,-0.2 -4,-0.4 -2,-0.1 0.501 79.0 140.9 115.1 5.0 -18.1 61.4 30.8 80 82 A Y < - 0 0 22 -5,-2.2 -1,-0.3 -6,-0.1 2,-0.0 -0.465 65.6 -82.0 -65.7 152.3 -19.3 57.9 29.6 81 83 A P > - 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.237 30.3-115.7 -69.8 148.4 -22.2 56.7 31.8 82 84 A Q G > S+ 0 0 124 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.664 104.7 80.4 -51.7 -25.1 -21.7 54.9 35.1 83 85 A E G > S+ 0 0 64 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.847 78.4 71.9 -54.5 -33.2 -23.3 51.7 33.7 84 86 A L G X S+ 0 0 0 -3,-2.1 3,-2.5 1,-0.3 -1,-0.3 0.880 86.2 66.3 -45.3 -41.4 -19.8 51.0 32.2 85 87 A L G < S+ 0 0 90 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 92.3 59.1 -59.5 -23.3 -18.6 50.3 35.7 86 88 A S G < S+ 0 0 102 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.539 83.9 103.3 -84.8 -3.4 -20.8 47.2 36.0 87 89 A F < - 0 0 38 -3,-2.5 2,-0.3 -4,-0.3 75,-0.0 -0.481 53.7-168.0 -69.6 148.1 -19.0 45.6 32.9 88 90 A A - 0 0 70 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.989 30.2 -97.1-141.2 140.0 -16.5 42.9 33.8 89 91 A Y - 0 0 28 -2,-0.3 2,-0.5 -24,-0.2 -24,-0.1 -0.302 34.5-164.6 -61.2 131.2 -14.0 41.4 31.4 90 92 A D > - 0 0 58 68,-0.1 3,-1.3 1,-0.1 -1,-0.1 -0.931 9.0-166.6-122.2 112.5 -15.0 38.1 29.9 91 93 A S T 3 S+ 0 0 60 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.592 82.9 65.8 -75.4 -15.0 -12.3 36.1 28.2 92 94 A T T 3 S+ 0 0 78 1,-0.1 324,-2.4 323,-0.1 325,-0.4 0.630 96.3 60.0 -81.9 -15.2 -14.6 33.7 26.4 93 95 A F S < S+ 0 0 5 -3,-1.3 324,-0.6 322,-0.2 2,-0.2 0.985 91.2 61.4 -72.6 -63.9 -15.9 36.5 24.1 94 96 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 63,-0.1 -0.469 51.8-171.7 -84.0 138.7 -13.0 38.1 22.2 95 97 A T > - 0 0 13 -2,-0.2 3,-0.6 322,-0.1 2,-0.1 -0.929 34.1-108.5-110.3 145.7 -10.7 36.3 19.7 96 98 A R T 3 S+ 0 0 7 -2,-0.4 56,-0.2 1,-0.2 334,-0.1 -0.391 95.1 40.7 -70.4 149.9 -7.7 38.3 18.4 97 99 A G T 3 S+ 0 0 15 54,-2.6 13,-0.3 1,-0.3 55,-0.2 0.535 76.3 149.9 93.6 10.7 -7.4 39.6 14.8 98 100 A L E < -L 151 0E 1 -3,-0.6 53,-3.4 53,-0.5 2,-0.5 -0.315 42.7-130.6 -69.1 157.1 -11.1 40.9 14.7 99 101 A V E -LM 150 108E 0 9,-2.6 9,-2.8 51,-0.2 2,-0.7 -0.958 10.5-148.4-111.5 118.6 -11.9 43.9 12.5 100 102 A F E -LM 149 107E 2 49,-2.9 49,-2.4 -2,-0.5 2,-0.8 -0.805 9.4-148.9 -83.8 119.0 -14.0 46.7 14.1 101 103 A D E >> -LM 148 106E 0 5,-2.9 4,-1.7 -2,-0.7 5,-0.9 -0.822 9.2-166.4 -85.5 111.6 -16.1 48.3 11.4 102 104 A T T 45S+ 0 0 8 45,-2.9 91,-0.7 -2,-0.8 -1,-0.1 0.649 80.8 58.7 -77.6 -17.4 -16.4 51.9 12.6 103 105 A L T 45S+ 0 0 65 44,-0.3 89,-0.4 89,-0.2 90,-0.2 0.985 123.8 18.3 -69.0 -58.0 -19.3 52.8 10.1 104 106 A Y T 45S- 0 0 35 88,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.441 100.1-119.7-100.4 -6.7 -21.7 50.2 11.4 105 107 A G T <5 + 0 0 1 -4,-1.7 17,-0.4 1,-0.2 2,-0.3 0.847 62.8 141.0 69.6 37.6 -20.3 49.2 14.8 106 108 A N E < -M 101 0E 1 -5,-0.9 -5,-2.9 15,-0.1 2,-0.5 -0.862 49.9-136.2-108.0 147.5 -19.7 45.6 14.0 107 109 A L E -MN 100 120E 4 13,-2.5 13,-2.6 -2,-0.3 2,-0.4 -0.894 30.2-165.5 -94.8 127.2 -16.9 43.1 14.9 108 110 A L E -MN 99 119E 0 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.6 -0.934 23.2-157.2-117.2 134.6 -15.9 41.0 11.9 109 111 A K E + N 0 118E 8 9,-1.9 8,-3.5 -2,-0.4 9,-1.7 -0.954 33.1 178.3 -97.6 119.1 -13.9 37.9 11.5 110 112 A V E - N 0 116E 4 -2,-0.6 319,-1.8 -13,-0.3 320,-0.3 -0.761 25.0-125.8-116.2 164.5 -12.7 38.0 7.9 111 113 A D > - 0 0 13 4,-1.5 3,-1.9 317,-0.3 318,-0.3 -0.423 49.5 -81.5 -93.8-178.2 -10.5 35.7 5.6 112 114 A A T 3 S+ 0 0 22 315,-0.4 316,-0.1 316,-0.3 317,-0.1 0.728 130.5 52.2 -53.6 -26.9 -7.4 36.9 3.6 113 115 A Y T 3 S- 0 0 185 2,-0.1 -1,-0.3 28,-0.0 27,-0.0 0.191 120.5-102.1 -99.0 6.8 -9.8 38.3 0.9 114 116 A G S < S+ 0 0 1 -3,-1.9 26,-1.9 1,-0.3 2,-0.1 0.489 70.1 150.8 83.1 3.6 -12.1 40.4 3.1 115 117 A N B -P 139 0F 50 24,-0.2 -4,-1.5 1,-0.1 2,-0.5 -0.449 49.8-112.7 -69.8 143.2 -14.9 37.8 3.1 116 118 A L E +N 110 0E 18 22,-2.3 -6,-0.2 -6,-0.2 3,-0.1 -0.638 41.1 164.1 -85.8 122.1 -17.1 37.8 6.2 117 119 A L E S+ 0 0 31 -8,-3.5 2,-0.3 -2,-0.5 -7,-0.2 0.768 73.1 6.3 -98.9 -40.5 -16.9 34.7 8.4 118 120 A V E -N 109 0E 26 -9,-1.7 -9,-1.9 9,-0.1 -1,-0.4 -0.991 59.1-170.3-142.7 146.9 -18.5 36.1 11.5 119 121 A C E -N 108 0E 3 7,-0.5 7,-2.4 -2,-0.3 2,-0.5 -0.969 7.2-177.0-139.5 118.0 -20.3 39.4 12.3 120 122 A A E -NO 107 125E 1 -13,-2.6 -13,-2.5 -2,-0.4 2,-0.6 -0.978 13.4-164.8-116.0 131.3 -21.3 40.4 15.8 121 123 A H E > S- O 0 124E 41 3,-3.2 3,-1.9 -2,-0.5 2,-0.4 -0.930 78.0 -46.0-110.8 107.3 -23.2 43.6 16.6 122 124 A G T 3 S- 0 0 4 -2,-0.6 43,-0.1 -17,-0.4 -15,-0.1 -0.597 124.5 -29.3 59.3-120.1 -22.7 43.9 20.4 123 125 A F T 3 S+ 0 0 76 -2,-0.4 2,-0.7 41,-0.2 -1,-0.2 0.181 116.6 107.2-105.9 18.2 -23.4 40.4 21.4 124 126 A 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21.4 168 170 A D H X S+ 0 0 57 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.930 113.0 49.8 -54.6 -52.0 -24.8 46.1 23.4 169 171 A F H X S+ 0 0 28 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.935 114.3 41.8 -58.6 -51.2 -25.2 48.7 26.3 170 172 A F H < S+ 0 0 0 -4,-2.5 3,-0.4 1,-0.2 6,-0.3 0.869 112.6 55.5 -66.4 -38.4 -26.3 51.7 24.1 171 173 A T H < S+ 0 0 51 -4,-2.4 -1,-0.2 -5,-0.3 7,-0.2 0.930 117.6 34.1 -55.2 -46.0 -28.5 49.4 22.0 172 174 A N H < S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.401 93.5 99.5-100.3 5.0 -30.5 48.2 25.0 173 175 A C >< - 0 0 9 -4,-0.9 3,-2.4 -3,-0.4 -4,-0.0 -0.817 67.5-143.3 -93.3 116.3 -30.4 51.4 27.2 174 176 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.639 93.8 70.7 -58.6 -16.9 -33.8 53.3 26.8 175 177 A R T 3 S+ 0 0 114 10,-0.1 2,-0.3 2,-0.0 11,-0.1 0.696 96.1 62.5 -66.4 -18.8 -32.0 56.7 27.0 176 178 A Y S < S- 0 0 31 -3,-2.4 2,-0.5 -6,-0.3 9,-0.2 -0.851 70.2-145.0-119.7 140.8 -30.4 56.2 23.5 177 179 A T E -Q 184 0G 86 7,-2.8 7,-2.9 -2,-0.3 2,-0.4 -0.930 23.4-131.9-104.7 124.8 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-1,-0.2 0.266 120.4 82.1 -98.6 14.1 -29.2 66.7 21.0 188 190 A L E < -R 185 0G 129 -3,-1.3 -3,-2.8 2,-0.0 2,-0.6 -0.967 60.0-162.7-117.6 128.0 -26.0 64.6 21.1 189 191 A F E -R 184 0G 110 -2,-0.5 2,-0.7 -5,-0.2 -5,-0.2 -0.953 1.5-167.8-112.3 119.5 -25.1 62.1 18.4 190 192 A M E -R 183 0G 37 -7,-3.1 -7,-3.3 -2,-0.6 2,-0.1 -0.894 10.0-158.7-104.6 106.0 -22.5 59.4 19.1 191 193 A S E > -R 182 0G 31 -2,-0.7 4,-2.2 -9,-0.3 -9,-0.3 -0.382 29.2-117.7 -73.5 155.8 -21.3 57.7 16.0 192 194 A Y H > S+ 0 0 5 -11,-2.4 4,-3.5 -89,-0.4 5,-0.2 0.923 117.1 57.5 -60.2 -37.6 -19.7 54.2 16.3 193 195 A R H > S+ 0 0 94 -91,-0.7 4,-2.6 -12,-0.4 -1,-0.2 0.933 107.3 43.9 -56.6 -49.1 -16.5 55.9 14.8 194 196 A S H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 114.8 51.0 -68.4 -34.7 -16.3 58.5 17.6 195 197 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.973 109.5 49.9 -61.5 -51.7 -17.0 55.9 20.2 196 198 A F H X S+ 0 0 8 -4,-3.5 4,-2.6 1,-0.2 -2,-0.2 0.901 108.6 52.3 -52.5 -47.9 -14.3 53.7 18.8 197 199 A Q H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.911 107.2 52.9 -56.8 -42.9 -11.8 56.6 18.8 198 200 A D H X S+ 0 0 50 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.903 111.4 46.0 -56.5 -42.5 -12.5 57.3 22.5 199 201 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.931 113.4 49.4 -70.0 -46.2 -11.9 53.6 23.4 200 202 A R H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.925 113.3 46.3 -58.9 -44.8 -8.7 53.5 21.4 201 203 A D H X S+ 0 0 81 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.810 110.9 52.4 -70.3 -31.1 -7.5 56.8 23.0 202 204 A A H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.834 108.1 50.3 -75.0 -38.1 -8.3 55.5 26.5 203 205 A V H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.981 112.9 46.7 -59.7 -57.5 -6.4 52.3 26.0 204 206 A D H X S+ 0 0 88 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.930 113.5 49.8 -47.0 -53.2 -3.4 54.3 24.8 205 207 A W H X>S+ 0 0 81 -4,-2.4 5,-2.6 1,-0.2 4,-1.4 0.842 108.2 53.1 -56.7 -40.4 -3.8 56.7 27.8 206 208 A V H <5S+ 0 0 1 -4,-2.4 6,-1.3 3,-0.2 7,-0.4 0.943 114.9 40.3 -64.4 -41.7 -4.0 53.8 30.2 207 209 A H H <5S+ 0 0 36 -4,-2.2 6,-0.3 -5,-0.1 -2,-0.2 0.889 131.5 24.8 -72.2 -36.8 -0.7 52.4 28.9 208 210 A Y H <5S+ 0 0 190 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.899 136.3 16.2 -99.0 -49.6 1.0 55.8 28.6 209 211 A K T <5S+ 0 0 151 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.616 115.7 64.1-106.2 -10.8 -0.4 58.4 30.9 210 212 A G S S+ 0 0 33 1,-0.1 4,-2.0 2,-0.1 5,-0.2 0.158 85.2 103.5-110.3 13.3 -1.7 53.5 36.0 212 214 A L H > S+ 0 0 0 -6,-1.3 4,-2.1 1,-0.2 -1,-0.1 0.947 86.8 44.4 -63.7 -51.1 -1.5 50.1 34.0 213 215 A K H > S+ 0 0 63 -7,-0.4 4,-2.4 -6,-0.3 -1,-0.2 0.855 112.6 51.5 -58.9 -42.1 2.4 49.9 34.1 214 216 A E H > S+ 0 0 125 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.928 112.4 46.1 -64.3 -45.6 2.6 50.8 37.7 215 217 A K H < S+ 0 0 70 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.845 112.4 51.2 -68.2 -34.3 0.0 48.2 38.7 216 218 A T H >< S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.2 7,-0.3 0.975 113.0 44.6 -60.6 -52.4 1.7 45.5 36.5 217 219 A V H >< S+ 0 0 31 -4,-2.4 3,-0.6 1,-0.3 -2,-0.2 0.743 105.9 59.8 -75.3 -22.2 5.2 46.2 38.1 218 220 A E T 3< S+ 0 0 136 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