==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-JAN-03 1NMV . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.BAYER,S.GOETTSCH,J.W.MUELLER,B.GRIEWEL,E.GUIBERMAN,L.MAYR, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11106.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 0 0 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 212 0, 0.0 46,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0-156.8 122.5 -7.4 5.6 2 2 A A - 0 0 22 42,-0.3 43,-0.1 40,-0.1 42,-0.1 0.088 360.0-117.9 -45.3 162.7 122.2 -9.3 2.3 3 3 A D - 0 0 65 36,-0.1 -1,-0.1 44,-0.1 35,-0.1 0.397 36.3-152.4 -87.3 2.7 124.3 -8.2 -0.7 4 4 A E + 0 0 48 1,-0.2 35,-0.3 38,-0.1 32,-0.2 0.764 31.6 159.8 20.9 89.7 121.1 -7.5 -2.6 5 5 A E + 0 0 147 31,-0.0 2,-0.3 0, 0.0 34,-0.2 -0.271 53.0 28.6-129.1 46.7 122.4 -8.0 -6.2 6 6 A K S S- 0 0 90 32,-1.1 32,-0.1 34,-0.0 0, 0.0 -0.954 75.3-103.8-175.7-170.0 119.2 -8.7 -8.1 7 7 A L - 0 0 35 -2,-0.3 3,-0.1 30,-0.1 32,-0.1 -0.761 31.9-157.3-143.3 92.6 115.5 -8.0 -8.4 8 8 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 33,-0.1 -0.031 46.8 -55.1 -62.4 171.1 113.1 -10.8 -7.4 9 9 A P T 3 S+ 0 0 110 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.122 125.3 26.6 -48.7 138.6 109.5 -11.2 -8.6 10 10 A G T 3 S+ 0 0 24 1,-0.3 17,-2.2 -3,-0.1 2,-0.3 -0.197 94.7 105.8 100.2 -42.5 107.4 -8.1 -7.9 11 11 A W E < +A 26 0A 55 -3,-1.6 2,-0.3 15,-0.3 -1,-0.3 -0.550 42.3 165.8 -76.5 135.0 110.2 -5.6 -7.9 12 12 A E E -A 25 0A 107 13,-2.7 13,-1.6 -2,-0.3 2,-0.2 -0.963 35.8-119.5-152.9 131.9 110.5 -3.4 -11.0 13 13 A K E +A 24 0A 112 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.519 39.4 174.5 -73.1 133.0 112.5 -0.2 -11.7 14 14 A R E -A 23 0A 143 9,-1.2 9,-2.6 -2,-0.2 2,-0.3 -0.968 26.4-124.4-139.9 155.2 110.3 2.8 -12.6 15 15 A M E -A 22 0A 84 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.727 38.5 -95.1-100.2 149.6 110.7 6.5 -13.3 16 16 A S > - 0 0 40 5,-2.6 3,-2.0 -2,-0.3 -1,-0.1 -0.197 56.9 -80.0 -59.3 151.6 108.9 9.3 -11.5 17 17 A R T 3 S- 0 0 215 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 -0.306 109.7 -16.9 -56.5 127.7 105.7 10.6 -13.1 18 18 A S T 3 S+ 0 0 139 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.657 126.6 99.2 48.3 15.6 106.5 13.1 -15.9 19 19 A S S < S- 0 0 63 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.1 -0.446 77.5-127.5-116.0-169.4 110.0 13.2 -14.2 20 20 A G + 0 0 61 -2,-0.2 2,-0.4 -3,-0.1 -3,-0.1 0.215 63.5 121.3-127.0 12.6 113.4 11.6 -14.8 21 21 A R - 0 0 157 -4,-0.1 -5,-2.6 1,-0.0 2,-0.4 -0.659 50.9-146.5 -82.9 130.1 114.1 10.1 -11.4 22 22 A V E +A 15 0A 75 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.809 29.3 151.3-100.0 136.0 114.6 6.3 -11.3 23 23 A Y E -A 14 0A 49 -9,-2.6 -9,-1.2 -2,-0.4 2,-0.4 -0.692 39.3 -98.5-142.0-165.8 113.6 4.2 -8.3 24 24 A Y E -AB 13 33A 42 9,-1.4 9,-2.3 -11,-0.2 2,-0.4 -0.983 30.2-177.7-129.6 138.2 112.4 0.7 -7.4 25 25 A F E -AB 12 32A 26 -13,-1.6 -13,-2.7 -2,-0.4 2,-0.5 -0.998 13.6-154.8-140.0 137.2 108.9 -0.6 -6.8 26 26 A N E >> -AB 11 31A 5 5,-1.9 5,-1.6 -2,-0.4 4,-0.9 -0.940 3.7-167.4-113.1 123.1 107.4 -3.9 -5.7 27 27 A H T 45S+ 0 0 113 -17,-2.2 -1,-0.1 -2,-0.5 -16,-0.1 0.729 82.8 74.1 -78.5 -22.9 103.9 -4.8 -6.7 28 28 A I T 45S+ 0 0 131 1,-0.2 -1,-0.2 -19,-0.1 -18,-0.1 0.867 126.7 3.1 -57.7 -36.7 103.8 -7.7 -4.3 29 29 A T T 45S- 0 0 101 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.265 103.3-112.3-131.0 4.9 103.5 -5.3 -1.4 30 30 A N T <5 + 0 0 121 -4,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.889 57.6 169.5 62.4 40.7 103.3 -2.0 -3.4 31 31 A A E < -B 26 0A 21 -5,-1.6 -5,-1.9 2,-0.0 2,-0.3 -0.507 16.2-173.7 -84.3 153.6 106.7 -0.9 -2.1 32 32 A S E +B 25 0A 66 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.864 25.0 113.9-153.3 113.9 108.6 2.1 -3.4 33 33 A Q E -B 24 0A 117 -9,-2.3 -9,-1.4 -2,-0.3 -2,-0.0 -0.978 54.8 -89.8-167.6 169.9 112.2 3.2 -2.5 34 34 A W S S+ 0 0 143 -2,-0.3 -11,-0.1 -11,-0.2 -2,-0.0 -0.168 79.8 46.4 -81.3 179.8 115.7 3.6 -3.8 35 35 A E S S- 0 0 120 -2,-0.0 -2,-0.1 0, 0.0 -11,-0.1 0.440 101.2 -57.4 63.4 150.3 118.6 1.1 -3.8 36 36 A R - 0 0 78 -32,-0.2 -29,-0.1 1,-0.1 3,-0.1 -0.258 49.6-148.3 -59.0 143.5 118.3 -2.5 -4.8 37 37 A P - 0 0 26 0, 0.0 -30,-0.1 0, 0.0 -1,-0.1 0.933 59.8 -10.1 -79.1 -89.7 115.6 -4.5 -2.9 38 38 A S - 0 0 32 -32,-0.1 -32,-1.1 -30,-0.1 2,-0.1 -0.276 64.5-110.9-102.0-169.6 116.4 -8.2 -2.5 39 39 A G - 0 0 24 -35,-0.3 2,-2.0 -34,-0.2 3,-0.4 -0.495 59.9 -87.9-125.3 62.8 119.1 -10.5 -3.9 40 40 A N S S+ 0 0 92 1,-0.3 -2,-0.1 -2,-0.1 -34,-0.0 -0.490 120.8 30.3 73.1 -80.1 117.2 -12.9 -6.2 41 41 A S S S- 0 0 94 -2,-2.0 -1,-0.3 2,-0.2 3,-0.1 0.971 101.5-115.9 -72.1 -84.5 116.3 -15.5 -3.5 42 42 A S S S+ 0 0 90 1,-0.4 2,-0.4 -3,-0.4 -40,-0.1 -0.007 82.3 87.4 174.5 -49.4 115.9 -13.8 -0.2 43 43 A S + 0 0 123 -4,-0.1 -1,-0.4 -5,-0.1 2,-0.3 -0.621 52.1 162.2 -78.4 125.7 118.6 -15.0 2.3 44 44 A G + 0 0 32 -2,-0.4 -42,-0.3 -3,-0.1 3,-0.0 -0.993 20.0 130.0-148.6 138.4 121.8 -13.0 2.1 45 45 A G + 0 0 67 -2,-0.3 -43,-0.1 -44,-0.1 -1,-0.1 0.160 35.1 116.7-176.2 35.6 124.8 -12.5 4.3 46 46 A K + 0 0 190 -45,-0.0 2,-0.1 2,-0.0 -44,-0.1 -0.097 52.6 112.7-103.8 33.4 128.0 -13.1 2.3 47 47 A N + 0 0 83 1,-0.1 -44,-0.1 -46,-0.1 -45,-0.0 -0.231 37.6 177.2 -93.7-174.1 129.2 -9.5 2.7 48 48 A G + 0 0 63 -2,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.218 13.8 152.2-150.3 -78.2 132.2 -8.0 4.6 49 49 A Q + 0 0 169 1,-0.1 2,-0.7 0, 0.0 0, 0.0 0.031 40.9 80.7 57.9-172.8 133.0 -4.3 4.5 50 50 A G + 0 0 63 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 -0.714 46.1 153.4 85.4-116.0 134.8 -2.7 7.4 51 51 A E - 0 0 139 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.1 0.435 60.2 -62.4 62.1 150.0 138.6 -3.3 7.3 52 52 A P - 0 0 68 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.469 35.7-145.2 -68.7 129.5 141.1 -0.8 8.9 53 53 A A S S+ 0 0 62 -2,-0.2 74,-0.7 73,-0.1 2,-0.3 0.613 85.6 31.4 -68.8 -11.5 141.1 2.6 7.3 54 54 A R E -C 126 0B 153 72,-0.2 2,-0.3 2,-0.0 72,-0.2 -0.901 68.0-159.2-140.6 168.7 144.8 2.7 8.0 55 55 A V E -C 125 0B 3 70,-2.0 70,-2.5 -2,-0.3 2,-0.6 -0.996 17.9-129.0-151.9 150.4 147.8 0.4 8.2 56 56 A R E +C 124 0B 78 107,-2.1 106,-3.6 -2,-0.3 107,-1.5 -0.896 39.1 160.1-105.7 114.0 151.3 0.3 9.7 57 57 A C E -CD 123 161B 0 66,-1.2 65,-1.6 -2,-0.6 66,-0.6 -0.966 26.7-147.2-134.7 151.7 154.0 -0.7 7.2 58 58 A S E -CD 121 160B 10 102,-2.6 102,-2.7 -2,-0.3 2,-0.3 -0.836 18.7-174.5-115.1 152.4 157.8 -0.3 7.0 59 59 A H E - D 0 159B 10 61,-1.5 2,-0.4 -2,-0.3 100,-0.2 -0.955 20.9-139.9-145.4 164.5 159.9 0.1 3.8 60 60 A L E - D 0 158B 0 98,-1.3 98,-1.1 -2,-0.3 2,-0.4 -0.950 16.4-155.0-130.6 111.3 163.4 0.3 2.5 61 61 A L E + D 0 157B 1 -2,-0.4 51,-2.3 96,-0.2 2,-0.3 -0.722 13.9 176.8 -88.9 131.7 164.4 2.8 -0.2 62 62 A V E - D 0 156B 0 94,-1.7 94,-1.7 -2,-0.4 27,-0.1 -0.762 18.3-150.8-136.3 87.4 167.4 2.0 -2.4 63 63 A K E - D 0 155B 5 -2,-0.3 17,-0.3 92,-0.2 2,-0.2 -0.030 15.4-165.7 -53.2 159.8 167.9 4.6 -5.2 64 64 A H > - 0 0 23 90,-0.8 3,-1.9 14,-0.2 17,-0.2 -0.735 41.1 -78.4-137.8-175.4 169.5 3.5 -8.4 65 65 A S T 3 S+ 0 0 58 15,-1.4 16,-0.1 1,-0.3 -2,-0.1 0.795 129.4 50.5 -59.6 -30.2 171.1 5.0 -11.6 66 66 A Q T 3 S+ 0 0 163 14,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.221 81.4 133.4 -93.9 14.5 167.6 5.8 -12.9 67 67 A S < - 0 0 10 -3,-1.9 87,-0.2 11,-0.2 88,-0.1 -0.439 62.3-133.6 -67.6 135.6 166.5 7.6 -9.7 68 68 A R S S+ 0 0 177 85,-1.8 -1,-0.2 1,-0.3 86,-0.1 0.756 104.6 17.8 -59.7 -22.2 164.8 10.9 -10.3 69 69 A R S S- 0 0 171 85,-0.2 2,-2.1 84,-0.2 -1,-0.3 -0.601 73.0-167.9-152.1 82.6 167.1 12.2 -7.6 70 70 A P + 0 0 39 0, 0.0 8,-0.9 0, 0.0 2,-0.3 -0.481 56.7 89.8 -75.3 77.4 170.1 10.0 -6.8 71 71 A S + 0 0 60 -2,-2.1 2,-0.3 6,-0.2 5,-0.2 -0.878 38.8 133.8-171.6 137.1 171.1 11.7 -3.5 72 72 A S B > -G 75 0C 43 3,-3.9 3,-0.6 -2,-0.3 41,-0.1 -0.960 69.0 -70.3-169.1-179.9 170.4 11.3 0.2 73 73 A W T 3 S+ 0 0 134 -2,-0.3 3,-0.1 39,-0.3 40,-0.1 0.723 130.1 55.6 -58.3 -20.1 171.9 11.2 3.7 74 74 A R T 3 S- 0 0 104 38,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.857 125.8 -9.3 -80.7 -38.0 173.2 7.8 2.7 75 75 A Q B < -G 72 0C 67 -3,-0.6 -3,-3.9 37,-0.2 -1,-0.3 -0.976 50.4-135.0-155.5 165.0 175.0 9.0 -0.4 76 76 A E S S+ 0 0 150 -2,-0.3 2,-0.5 -5,-0.2 -1,-0.1 0.893 100.2 20.7 -90.0 -49.6 175.5 12.1 -2.6 77 77 A K S S- 0 0 166 -6,-0.1 -6,-0.2 -5,-0.0 -1,-0.2 -0.790 76.8-165.1-126.2 88.9 175.3 10.5 -6.1 78 78 A I + 0 0 2 -8,-0.9 -14,-0.2 -2,-0.5 -11,-0.2 -0.495 18.4 163.6 -74.1 139.1 173.5 7.1 -6.0 79 79 A T + 0 0 75 -2,-0.2 2,-0.5 -16,-0.2 -14,-0.2 -0.166 6.4 170.8-150.6 46.6 173.9 4.9 -9.1 80 80 A R - 0 0 64 -17,-0.3 -15,-1.4 4,-0.1 -14,-0.3 -0.491 27.7-139.2 -66.3 115.3 172.9 1.4 -8.1 81 81 A T > - 0 0 80 -2,-0.5 4,-3.7 -17,-0.2 5,-0.2 -0.041 32.2 -87.4 -66.8 175.6 172.7 -0.7 -11.3 82 82 A K H > S+ 0 0 163 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.927 131.5 37.3 -50.6 -51.9 170.0 -3.2 -12.0 83 83 A E H > S+ 0 0 147 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.947 117.6 50.0 -66.8 -50.1 171.9 -6.0 -10.3 84 84 A E H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.884 112.1 50.3 -56.0 -41.5 173.3 -3.7 -7.5 85 85 A A H >X S+ 0 0 1 -4,-3.7 4,-1.9 2,-0.2 3,-0.9 0.991 117.7 34.9 -61.3 -64.6 169.7 -2.4 -6.9 86 86 A L H 3X>S+ 0 0 67 -4,-2.0 4,-3.3 1,-0.2 5,-0.5 0.807 109.8 68.3 -61.1 -29.7 167.9 -5.7 -6.6 87 87 A E H 3X5S+ 0 0 126 -4,-2.9 4,-1.6 -5,-0.3 -1,-0.2 0.887 107.8 37.5 -57.1 -40.1 171.1 -7.2 -4.9 88 88 A L H X5S+ 0 0 88 -4,-3.3 4,-1.6 2,-0.2 3,-1.0 0.974 112.8 48.9 -60.7 -57.1 166.7 -8.9 -2.5 91 91 A G H 3XS+ 0 0 79 -4,-1.9 5,-2.0 2,-0.2 4,-1.0 0.938 120.8 45.0 -56.2 -51.7 168.1 -11.9 6.0 96 96 A I H ><5S+ 0 0 18 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.963 114.2 47.2 -58.2 -55.1 164.9 -10.2 7.2 97 97 A K H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.756 111.9 53.9 -59.0 -23.9 162.6 -13.0 6.1 98 98 A S H 3<5S- 0 0 70 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.676 112.5-121.7 -83.6 -19.4 165.1 -15.3 7.9 99 99 A G T <<5S+ 0 0 68 -3,-1.4 3,-0.2 -4,-1.0 -3,-0.2 0.520 87.5 105.7 89.7 6.0 164.9 -13.4 11.1 100 100 A E S - 0 0 81 -2,-0.6 4,-3.5 -3,-0.2 5,-0.1 -0.295 11.8-134.6 -55.9 130.1 165.5 -7.1 11.6 103 103 A F H > S+ 0 0 11 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.885 104.9 57.2 -53.4 -40.7 163.8 -4.9 9.0 104 104 A E H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.979 116.7 30.7 -54.1 -64.9 163.8 -2.1 11.5 105 105 A S H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.814 122.0 56.1 -65.6 -29.5 167.5 -2.1 12.1 106 106 A L H X S+ 0 0 1 -4,-3.5 4,-1.3 2,-0.2 5,-0.3 0.998 107.7 43.5 -65.3 -65.2 168.0 -3.2 8.5 107 107 A A H >X S+ 0 0 0 -4,-3.6 4,-2.4 12,-0.3 3,-1.2 0.909 113.4 53.1 -45.5 -54.9 166.0 -0.4 6.8 108 108 A S H 3< S+ 0 0 40 -4,-2.0 3,-0.3 -5,-0.4 -1,-0.2 0.913 108.7 48.3 -49.2 -51.4 167.7 2.2 8.9 109 109 A Q H 3< S+ 0 0 118 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.662 131.3 22.0 -67.6 -15.8 171.2 1.0 8.1 110 110 A F H << S+ 0 0 53 -4,-1.3 2,-1.1 -3,-1.2 -2,-0.2 0.294 86.2 129.6-131.7 5.0 170.4 1.0 4.4 111 111 A S < - 0 0 0 -4,-2.4 5,-0.2 -3,-0.3 -49,-0.1 -0.509 33.3-174.2 -68.4 100.0 167.4 3.4 4.3 112 112 A D + 0 0 13 -51,-2.3 -38,-0.4 -2,-1.1 -39,-0.3 0.636 67.5 70.4 -69.0 -12.4 168.4 5.8 1.5 113 113 A C S > S- 0 0 36 -52,-0.2 3,-1.7 -41,-0.1 7,-0.1 -0.556 103.8 -99.4-101.8 168.8 165.3 7.8 2.4 114 114 A S G > S+ 0 0 87 1,-0.3 3,-1.8 -2,-0.2 4,-0.2 0.515 102.6 97.4 -64.0 -2.3 164.4 9.9 5.5 115 115 A S G > > + 0 0 8 1,-0.3 3,-3.1 2,-0.2 5,-1.8 0.755 56.5 89.3 -58.8 -22.6 162.5 6.8 6.7 116 116 A A G X 5S+ 0 0 22 -3,-1.7 3,-2.2 1,-0.3 -1,-0.3 0.819 73.5 68.5 -43.3 -36.7 165.7 6.1 8.7 117 117 A K G < 5S+ 0 0 180 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.857 116.2 25.4 -53.1 -35.2 164.1 8.2 11.5 118 118 A A G X 5S- 0 0 22 -3,-3.1 3,-3.0 -4,-0.2 -1,-0.3 -0.013 115.4-111.9-117.1 25.6 161.6 5.4 11.8 119 119 A R T < 5S- 0 0 104 -3,-2.2 -11,-0.4 1,-0.3 -12,-0.3 0.841 82.8 -47.0 45.6 40.2 163.9 2.7 10.4 120 120 A G T 3 -C 54 0B 31 -72,-0.2 3,-1.7 -2,-0.2 4,-0.3 -0.903 42.0 -95.2-111.3 134.5 145.6 5.8 5.1 127 127 A R T 3 S+ 0 0 132 -74,-0.7 5,-0.1 -2,-0.4 -1,-0.0 -0.204 115.0 32.9 -46.6 111.5 145.1 4.0 1.7 128 128 A G T 3 S+ 0 0 43 3,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.432 92.7 92.7 117.4 3.8 145.9 6.7 -0.9 129 129 A Q S < S+ 0 0 134 -3,-1.7 -2,-0.1 2,-0.1 3,-0.1 0.895 81.7 46.0 -91.5 -51.1 148.5 8.7 1.0 130 130 A M S S- 0 0 65 -4,-0.3 -2,-0.1 1,-0.2 5,-0.1 -0.197 112.5 -47.0 -84.5-180.0 151.7 7.0 -0.3 131 131 A Q > - 0 0 73 1,-0.1 4,-2.9 3,-0.1 5,-0.3 -0.048 54.7-118.9 -46.2 147.0 152.7 6.0 -3.8 132 132 A K H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 115.2 43.7 -56.0 -56.4 150.0 4.2 -5.8 133 133 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.831 114.7 54.4 -59.5 -30.6 152.1 1.0 -6.3 134 134 A F H > S+ 0 0 2 2,-0.2 4,-3.9 3,-0.2 5,-0.2 0.993 109.4 42.6 -64.8 -64.2 153.1 1.3 -2.7 135 135 A E H X S+ 0 0 37 -4,-2.9 4,-4.2 2,-0.2 5,-0.2 0.894 116.1 50.6 -49.9 -47.9 149.6 1.4 -1.1 136 136 A D H X S+ 0 0 107 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.978 116.5 38.5 -56.8 -60.3 148.4 -1.3 -3.4 137 137 A A H X S+ 0 0 28 -4,-2.2 4,-1.0 2,-0.2 3,-0.3 0.908 119.9 49.7 -57.3 -42.7 151.2 -3.7 -2.7 138 138 A S H >< S+ 0 0 0 -4,-3.9 3,-1.1 -5,-0.3 -2,-0.2 0.970 116.3 39.3 -59.4 -56.8 151.1 -2.6 0.9 139 139 A F H 3< S+ 0 0 52 -4,-4.2 -1,-0.2 1,-0.2 -2,-0.2 0.528 114.0 59.2 -71.8 -5.9 147.4 -3.1 1.3 140 140 A A H 3< S+ 0 0 70 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.605 93.5 79.2 -97.4 -15.4 147.7 -6.2 -0.8 141 141 A L S << S- 0 0 53 -3,-1.1 2,-0.2 -4,-1.0 3,-0.0 -0.396 78.8-115.0 -89.3 169.6 150.1 -8.0 1.5 142 142 A R > - 0 0 191 1,-0.1 3,-2.1 -2,-0.1 2,-0.4 -0.488 48.4 -66.8 -98.9 171.2 149.3 -9.9 4.8 143 143 A T T 3 S+ 0 0 92 1,-0.3 19,-0.1 -2,-0.2 -1,-0.1 -0.411 126.0 10.3 -60.9 114.4 150.3 -9.1 8.3 144 144 A G T 3 S+ 0 0 52 17,-1.1 -1,-0.3 -2,-0.4 2,-0.3 0.678 98.0 138.8 89.2 19.4 154.1 -9.6 8.5 145 145 A E < - 0 0 85 -3,-2.1 16,-1.5 -7,-0.1 2,-0.5 -0.676 42.7-144.4 -97.9 152.6 154.5 -9.9 4.8 146 146 A M B -E 160 0B 34 -2,-0.3 14,-0.3 14,-0.2 -87,-0.1 -0.969 11.7-139.7-121.8 123.8 157.4 -8.3 2.8 147 147 A S - 0 0 8 12,-3.0 3,-0.1 -2,-0.5 -9,-0.0 -0.295 20.5-120.0 -74.7 161.8 156.9 -7.0 -0.7 148 148 A G - 0 0 33 1,-0.2 2,-0.6 10,-0.1 11,-0.4 0.151 59.6 -36.4 -83.8-155.7 159.5 -7.4 -3.5 149 149 A P - 0 0 53 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.564 59.3-166.9 -72.5 113.2 161.4 -4.8 -5.5 150 150 A V E -F 157 0B 22 7,-1.9 7,-2.4 -2,-0.6 2,-0.9 -0.896 10.2-149.1-107.0 112.4 159.2 -1.9 -6.2 151 151 A F E +F 156 0B 132 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.697 35.3 152.3 -83.1 106.9 160.4 0.6 -8.8 152 152 A T - 0 0 14 3,-3.5 3,-0.5 -2,-0.9 -2,-0.0 -0.966 61.9 -66.8-137.3 153.1 159.2 4.1 -7.8 153 153 A D S S+ 0 0 70 -2,-0.3 -85,-1.8 1,-0.2 -84,-0.2 0.446 133.8 33.8 4.7 -72.9 160.3 7.7 -8.3 154 154 A S S S- 0 0 25 -87,-0.2 -90,-0.8 -86,-0.1 -1,-0.2 0.995 122.1 -92.8 -61.0 -68.1 163.4 7.2 -6.1 155 155 A G E S-D 63 0B 0 -3,-0.5 -3,-3.5 -92,-0.2 2,-0.5 -0.622 73.6 -3.2-172.2-125.9 164.2 3.6 -6.9 156 156 A I E -DF 62 151B 0 -94,-1.7 -94,-1.7 -5,-0.2 2,-0.4 -0.848 59.5-169.9 -99.7 124.3 163.5 0.1 -5.6 157 157 A H E -DF 61 150B 5 -7,-2.4 -7,-1.9 -2,-0.5 2,-0.5 -0.898 13.3-153.2-117.0 146.4 161.5 -0.1 -2.4 158 158 A I E -D 60 0B 0 -98,-1.1 -98,-1.3 -2,-0.4 2,-0.3 -0.965 14.5-156.7-117.4 120.8 160.7 -3.0 -0.1 159 159 A I E -D 59 0B 1 -2,-0.5 -12,-3.0 -11,-0.4 2,-0.3 -0.730 10.9-176.1 -99.8 148.0 157.5 -3.0 1.9 160 160 A L E -DE 58 146B 30 -102,-2.7 -102,-2.6 -2,-0.3 -14,-0.2 -0.821 18.9-142.1-145.5 100.0 156.8 -4.9 5.1 161 161 A R E +D 57 0B 29 -16,-1.5 -17,-1.1 -2,-0.3 -104,-0.3 -0.389 18.5 179.8 -63.9 133.4 153.4 -4.7 6.7 162 162 A T 0 0 51 -106,-3.6 -105,-0.2 1,-0.3 -1,-0.2 0.851 360.0 360.0 -99.4 -52.4 153.5 -4.6 10.5 163 163 A E 0 0 159 -107,-1.5 -107,-2.1 -20,-0.1 -1,-0.3 -0.831 360.0 360.0-178.0 360.0 149.8 -4.4 11.5