==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JAN-05 2BIT . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HENNIG,R.THOMA,M.STIHLE,D.SCHLATTER . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 68.3 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 . 49 29.9 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 . 1 0.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 1 0 0 1 0 0 0 0 0 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 0 2 3 0 0 1 1 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 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 X G 0 0 128 0, 0.0 3,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-172.4 20.6 13.9 42.1 2 3 X N - 0 0 34 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.326 360.0 -98.8 -60.5 141.8 18.8 14.4 38.8 3 4 X P - 0 0 17 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.297 27.1-151.1 -62.0 142.6 18.1 11.3 36.7 4 5 X L E +A 22 0A 46 18,-0.2 159,-2.7 -3,-0.1 160,-1.5 -0.983 22.6 178.7-109.4 127.9 20.4 10.5 33.8 5 6 X V E -AB 21 162A 0 16,-2.6 16,-2.8 -2,-0.5 2,-0.3 -0.850 12.6-143.9-124.9 163.7 18.6 8.5 31.0 6 7 X Y E -AB 20 161A 47 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.961 10.0-163.8-131.5 151.4 19.7 7.2 27.6 7 8 X L E -AB 19 160A 0 12,-2.3 12,-3.0 -2,-0.3 2,-0.5 -0.994 11.1-156.8-126.6 121.9 18.3 6.6 24.1 8 9 X D E -AB 18 159A 31 151,-3.1 150,-1.7 -2,-0.4 151,-1.1 -0.897 21.3-159.2 -95.6 128.3 20.1 4.3 21.7 9 10 X V E -AB 17 157A 2 8,-2.4 7,-3.5 -2,-0.5 8,-0.9 -0.927 14.4-166.4-123.1 128.7 19.2 5.2 18.2 10 11 X D E -AB 15 156A 32 146,-2.8 146,-1.7 -2,-0.4 2,-0.4 -0.764 7.2-157.1 -97.7 152.4 19.3 3.4 14.8 11 12 X A E > S-AB 14 155A 7 3,-2.6 3,-1.5 -2,-0.3 144,-0.2 -0.990 84.9 -14.1-125.9 124.7 19.0 4.9 11.4 12 13 X N T 3 S- 0 0 93 142,-2.2 143,-0.1 -2,-0.4 -1,-0.1 0.902 131.8 -53.3 46.3 45.9 17.8 2.4 8.7 13 14 X G T 3 S+ 0 0 52 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.553 117.0 104.7 74.1 11.0 18.6 -0.4 11.2 14 15 X K E < S-A 11 0A 157 -3,-1.5 -3,-2.6 0, 0.0 -1,-0.2 -0.979 75.6-104.3-123.4 139.0 22.2 0.5 12.0 15 16 X P E -A 10 0A 104 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.329 26.7-177.7 -68.1 134.8 23.3 2.1 15.3 16 17 X L E - 0 0 40 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.641 51.9-111.8 -92.0 -24.9 24.1 5.8 15.4 17 18 X G E -A 9 0A 31 -8,-0.9 -8,-2.4 120,-0.1 2,-0.4 -0.891 44.2 -38.8 123.5-157.8 25.0 5.6 19.1 18 19 X R E -A 8 0A 85 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.901 30.2-156.5-120.4 135.7 23.6 6.9 22.4 19 20 X V E -A 7 0A 0 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.5 -0.954 16.3-159.9-104.3 123.9 22.0 10.2 23.5 20 21 X V E -AC 6 133A 6 113,-2.8 112,-2.8 -2,-0.5 113,-1.3 -0.918 9.5-167.3-105.7 131.4 22.4 10.7 27.3 21 22 X L E -AC 5 131A 0 -16,-2.8 -16,-2.6 -2,-0.5 2,-0.5 -0.954 17.1-145.7-122.3 134.7 19.9 13.2 28.9 22 23 X E E -AC 4 130A 40 108,-2.4 108,-1.5 -2,-0.4 2,-0.5 -0.877 19.8-147.2 -91.4 129.1 19.9 14.9 32.3 23 24 X L E - C 0 129A 0 -20,-2.6 2,-2.3 -2,-0.5 106,-0.3 -0.878 10.3-136.1-101.1 125.2 16.3 15.3 33.5 24 25 X K >> + 0 0 49 104,-2.8 4,-3.0 -2,-0.5 3,-1.2 -0.412 41.0 157.6 -83.4 66.3 15.8 18.4 35.6 25 26 X A T 34 + 0 0 28 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.723 68.9 64.8 -62.5 -24.2 13.7 16.8 38.3 26 27 X D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.834 115.7 27.9 -67.2 -31.7 14.7 19.6 40.7 27 28 X V T <4 S+ 0 0 40 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.832 140.6 18.1 -95.5 -42.8 12.8 22.1 38.5 28 29 X V X + 0 0 0 -4,-3.0 4,-2.9 100,-0.1 5,-0.3 -0.625 67.1 166.9-133.3 71.2 10.1 20.0 36.9 29 30 X P H > S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.864 77.6 48.7 -58.1 -40.3 9.8 16.8 39.0 30 31 X K H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 115.5 43.5 -69.4 -39.6 6.5 15.6 37.4 31 32 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 115.8 48.2 -70.9 -43.5 7.7 16.1 33.8 32 33 X A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 110.1 52.5 -61.1 -45.4 11.1 14.5 34.6 33 34 X E H X S+ 0 0 67 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.895 107.3 52.4 -60.1 -42.2 9.4 11.5 36.3 34 35 X N H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.948 112.6 43.6 -57.3 -51.1 7.2 10.9 33.3 35 36 X F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.906 112.6 53.4 -62.9 -42.8 10.1 10.8 30.8 36 37 X R H X S+ 0 0 26 -4,-2.7 4,-2.0 1,-0.2 3,-0.4 0.949 111.4 44.4 -57.1 -51.7 12.3 8.7 33.2 37 38 X A H X>S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.7 0.826 110.3 55.3 -66.4 -32.9 9.6 6.0 33.6 38 39 X L H <5S+ 0 0 1 -4,-2.0 9,-1.8 -5,-0.2 10,-0.5 0.823 107.8 50.9 -69.9 -29.1 8.9 6.0 29.8 39 40 X C H <5S+ 0 0 3 -4,-1.7 -2,-0.2 -3,-0.4 121,-0.2 0.914 115.1 40.2 -70.7 -45.2 12.6 5.4 29.2 40 41 X T H <5S- 0 0 51 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.794 97.4-140.8 -72.7 -28.0 12.7 2.4 31.6 41 42 X G T ><5 + 0 0 29 -4,-2.0 3,-2.1 -5,-0.2 -3,-0.2 0.618 51.1 146.3 75.7 16.1 9.4 1.1 30.4 42 43 X E T 3 < + 0 0 103 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.624 63.0 58.4 -64.6 -17.7 8.5 0.2 34.1 43 44 X K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.436 126.1 -95.7 -88.7 -1.2 4.8 1.0 33.7 44 45 X G S < S+ 0 0 72 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.437 101.3 54.0 100.3 3.0 4.4 -1.5 30.8 45 46 X F + 0 0 58 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.960 58.0 111.5-155.8 168.6 4.9 1.0 28.0 46 47 X G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.988 69.9 -36.2 153.3-160.5 7.3 3.7 26.8 47 48 X Y S > S+ 0 0 0 -9,-1.8 3,-2.5 -2,-0.3 110,-0.3 0.630 81.1 117.0 -76.6 -19.3 9.8 4.7 24.2 48 49 X K T 3 S+ 0 0 134 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.300 88.7 10.3 -58.4 127.7 11.6 1.4 23.4 49 50 X G T 3 S+ 0 0 47 108,-2.9 -1,-0.3 1,-0.3 109,-0.1 0.265 103.3 119.1 90.2 -10.6 10.9 0.6 19.7 50 51 X S < - 0 0 1 -3,-2.5 107,-3.2 107,-0.3 -1,-0.3 -0.184 52.3-123.4 -86.5 178.4 9.4 4.0 18.9 51 52 X T B -D 156 0A 12 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.756 17.6-116.0-124.0 161.5 10.7 6.6 16.3 52 53 X F E +E 63 0A 2 103,-2.1 103,-0.5 -2,-0.3 11,-0.3 -0.906 44.1 171.6 -87.8 103.4 11.8 10.1 15.6 53 54 X H E + 0 0 33 -2,-0.9 2,-0.4 9,-0.6 98,-0.4 0.618 59.7 41.6 -95.1 -17.7 8.9 10.9 13.3 54 55 X R E +E 62 0A 100 8,-1.4 8,-3.3 96,-0.1 2,-0.4 -0.942 63.5 164.0-139.1 111.7 9.4 14.6 12.8 55 56 X V E -E 61 0A 0 94,-2.4 91,-2.2 -2,-0.4 94,-0.3 -0.996 11.3-174.3-135.2 124.8 12.9 16.1 12.3 56 57 X I E >> -E 60 0A 27 4,-2.6 3,-1.3 -2,-0.4 4,-1.2 -0.967 27.9-122.6-124.9 112.6 13.5 19.6 10.9 57 58 X P T 34 S+ 0 0 55 0, 0.0 86,-0.1 0, 0.0 3,-0.0 -0.219 97.0 16.5 -54.7 140.8 17.2 20.7 10.2 58 59 X S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.719 129.4 54.7 64.7 23.9 18.3 23.8 12.0 59 60 X F T <4 S- 0 0 36 -3,-1.3 56,-2.6 1,-0.1 57,-0.8 0.265 103.3 -53.6-140.1 -80.2 15.3 23.4 14.4 60 61 X M E < -EF 56 114A 2 -4,-1.2 -4,-2.6 54,-0.3 2,-0.5 -0.988 29.1-117.7-165.7 166.4 14.7 20.2 16.3 61 62 X C E -EF 55 113A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.4 -0.986 32.8-159.1-118.4 122.3 14.3 16.4 16.4 62 63 X Q E +EF 54 112A 16 -8,-3.3 -8,-1.4 -2,-0.5 -9,-0.6 -0.839 22.9 142.6-111.3 139.9 10.9 15.1 17.7 63 64 X A E +EF 52 111A 0 48,-2.6 48,-2.1 -2,-0.4 -11,-0.2 -0.773 24.7 95.4-148.3-174.5 10.0 11.7 19.0 64 65 X G + 0 0 0 -13,-0.7 2,-1.6 46,-0.3 11,-0.3 0.404 42.1 127.2 103.1 -1.7 7.9 10.0 21.7 65 66 X D > + 0 0 1 -14,-0.5 4,-1.1 1,-0.2 -14,-0.3 -0.648 23.6 160.3 -85.9 82.8 4.7 9.0 19.9 66 67 X F T 4 + 0 0 27 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.448 68.6 48.2 -87.7 0.4 4.9 5.3 20.9 67 68 X T T 4 S+ 0 0 59 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.805 130.5 11.5-102.2 -43.2 1.2 4.7 20.2 68 69 X N T 4 S- 0 0 82 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.552 80.6-146.0-113.5 -15.4 0.6 6.2 16.7 69 70 X H S < S+ 0 0 90 -4,-1.1 -3,-0.1 1,-0.1 -5,-0.0 0.720 80.6 79.1 57.3 27.7 4.2 6.8 15.5 70 71 X N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.409 111.1 -89.4-145.6 0.6 3.1 10.0 13.7 71 72 X G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.258 108.5 86.8 104.2 -9.3 2.7 12.9 16.1 72 73 X T S S+ 0 0 91 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.651 87.2 45.6 -91.8 -16.9 -1.0 12.3 17.0 73 74 X G + 0 0 5 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 0.094 50.1 111.7-111.9-146.6 -0.5 9.9 19.8 74 75 X G - 0 0 8 34,-0.1 2,-0.3 -9,-0.1 -9,-0.1 -0.032 38.0-142.6 90.1 158.9 1.5 9.1 23.0 75 76 X K - 0 0 82 -11,-0.3 5,-0.2 33,-0.1 2,-0.2 -0.975 9.3-125.4-152.9 156.1 0.5 9.0 26.6 76 77 X S - 0 0 2 3,-2.0 3,-0.4 -2,-0.3 33,-0.1 -0.462 31.4-108.2 -94.9 172.2 2.0 9.9 30.0 77 78 X I S S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.594 119.5 52.4 -74.0 -8.8 2.4 7.7 33.0 78 79 X Y S S- 0 0 109 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.656 128.1 -63.7 -98.7 -21.1 -0.4 9.8 34.7 79 80 X G S S- 0 0 39 -3,-0.4 -3,-2.0 1,-0.1 -1,-0.5 -0.928 76.7 -49.5 152.5-170.8 -3.0 9.5 32.0 80 81 X S S S+ 0 0 85 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.894 119.8 7.3 -66.5 -39.7 -3.3 10.6 28.3 81 82 X R - 0 0 96 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.957 63.8-164.0-139.6 155.4 -2.3 14.2 29.0 82 83 X F B -I 107 0B 14 25,-2.2 25,-1.7 -2,-0.3 3,-0.1 -0.965 29.6 -90.4-140.3 157.1 -0.9 16.3 31.9 83 84 X P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.119 44.5 -93.2 -63.8 158.8 -0.5 20.0 32.7 84 85 X D - 0 0 25 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.634 36.5-157.8 -66.5 115.5 2.4 22.3 31.9 85 86 X E - 0 0 46 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.948 58.6 -49.0 -68.2 -52.5 4.3 22.1 35.1 86 87 X N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.945 35.2-127.8-168.1 173.3 6.2 25.4 34.7 87 88 X F + 0 0 64 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.059 66.0 122.5-117.4 30.7 8.1 27.4 32.1 88 89 X T + 0 0 94 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.907 60.1 64.1 -64.4 -48.5 11.1 28.1 34.3 89 90 X L S S- 0 0 49 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.569 80.6-143.6 -77.0 142.4 13.8 26.5 32.1 90 91 X K - 0 0 95 -2,-0.2 2,-1.9 32,-0.1 3,-0.2 -0.676 23.4-107.0-111.0 159.8 14.3 28.2 28.7 91 92 X H + 0 0 1 -2,-0.2 27,-0.5 27,-0.2 31,-0.1 -0.588 54.1 162.4 -81.8 77.9 15.1 27.0 25.1 92 93 X V - 0 0 105 -2,-1.9 25,-0.2 25,-0.2 -1,-0.2 0.632 51.5 -57.7 -83.0 -18.7 18.6 28.4 25.4 93 94 X G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.986 85.1 -13.1 167.4-166.8 20.3 26.6 22.5 94 95 X P T 3 S+ 0 0 85 0, 0.0 21,-0.2 0, 0.0 3,-0.1 -0.288 116.0 35.9 -59.2 141.3 21.2 23.2 21.0 95 96 X G T 3 S+ 0 0 6 19,-2.8 36,-1.8 1,-0.3 2,-0.1 0.206 77.6 142.9 101.2 -13.2 20.7 20.2 23.3 96 97 X V E < -G 130 0A 8 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.399 39.6-150.1 -62.0 130.2 17.6 21.4 25.1 97 98 X L E +GH 129 113A 0 32,-2.5 31,-2.5 16,-0.2 32,-1.3 -0.935 27.8 163.8-105.7 124.5 15.1 18.7 25.8 98 99 X S E -GH 127 112A 0 14,-2.3 14,-2.7 -2,-0.5 2,-0.4 -0.940 38.3-100.2-144.3 154.1 11.5 20.0 25.8 99 100 X M E - H 0 111A 0 27,-2.4 12,-0.3 -2,-0.3 27,-0.2 -0.644 28.2-140.4 -81.0 129.1 7.9 18.6 25.7 100 101 X A + 0 0 8 10,-1.7 8,-0.4 -2,-0.4 2,-0.3 -0.504 33.0 169.3 -73.7 155.2 6.0 18.7 22.4 101 102 X N - 0 0 44 -2,-0.2 6,-0.1 6,-0.1 24,-0.0 -0.944 46.5-126.2-156.9 178.0 2.3 19.6 22.8 102 103 X A S S- 0 0 93 1,-0.6 5,-0.1 -2,-0.3 -2,-0.0 -0.192 85.3 -51.0-124.0 38.2 -0.9 20.6 21.0 103 104 X G S > S- 0 0 24 21,-0.1 3,-0.8 3,-0.0 -1,-0.6 -0.603 100.8 -11.7 117.2 179.1 -1.5 23.7 23.1 104 105 X P T 3 S+ 0 0 105 0, 0.0 21,-0.1 0, 0.0 20,-0.0 -0.177 127.2 2.4 -51.6 136.5 -1.6 24.5 26.8 105 106 X N T 3 S+ 0 0 89 1,-0.1 -4,-0.0 -4,-0.0 -24,-0.0 0.847 91.2 118.8 56.0 45.3 -1.7 21.5 29.2 106 107 X T < + 0 0 37 -3,-0.8 2,-0.2 -25,-0.1 -4,-0.1 -0.101 29.7 146.9-128.7 35.5 -1.4 18.8 26.5 107 108 X N B +I 82 0B 0 -25,-1.7 -25,-2.2 1,-0.1 -31,-0.2 -0.530 8.1 147.0 -69.8 137.2 1.8 17.1 27.5 108 109 X G S S- 0 0 3 -8,-0.4 -31,-0.2 2,-0.3 -1,-0.1 0.269 71.0 -55.2-130.9 -95.5 1.8 13.3 26.8 109 110 X S S S+ 0 0 1 -36,-0.3 2,-0.2 -33,-0.1 -35,-0.1 0.417 94.2 112.4-132.2 -11.3 5.0 11.5 25.8 110 111 X Q + 0 0 18 -37,-0.3 -10,-1.7 -10,-0.1 -2,-0.3 -0.468 40.0 167.4 -74.2 139.9 6.2 13.4 22.8 111 112 X F E -FH 63 99A 0 -48,-2.1 -48,-2.6 -12,-0.3 2,-0.3 -0.900 20.5-146.7-143.9 165.3 9.4 15.4 23.2 112 113 X F E -FH 62 98A 6 -14,-2.7 -14,-2.3 -2,-0.3 2,-0.5 -0.988 8.6-144.6-139.5 150.6 12.0 17.2 21.1 113 114 X I E -FH 61 97A 0 -52,-2.3 -52,-2.3 -2,-0.3 -16,-0.2 -0.980 28.9-133.5-111.3 121.7 15.7 17.9 21.2 114 115 X C E -F 60 0A 0 -18,-2.7 -19,-2.8 -2,-0.5 -54,-0.3 -0.423 19.5-170.7 -73.2 146.0 16.6 21.3 19.9 115 116 X T S S+ 0 0 6 -56,-2.6 2,-0.3 -21,-0.2 -55,-0.2 0.327 78.5 23.3-112.4 3.5 19.5 21.8 17.5 116 117 X I S S- 0 0 56 -57,-0.8 2,-0.4 -23,-0.3 -23,-0.3 -0.923 102.4 -74.9-149.8 168.4 19.4 25.7 17.8 117 118 X K - 0 0 124 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.636 43.3-170.9 -66.9 122.9 18.1 28.2 20.3 118 119 X T > + 0 0 1 -27,-0.5 3,-1.9 -2,-0.4 4,-0.3 -0.573 17.2 162.6-116.9 68.6 14.3 28.2 20.0 119 120 X D G > + 0 0 88 -2,-0.3 3,-1.7 1,-0.3 -28,-0.1 0.765 64.9 69.4 -65.1 -24.9 13.4 31.2 22.1 120 121 X W G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.644 92.9 61.8 -68.3 -13.5 9.9 31.6 20.6 121 122 X L G X> S+ 0 0 16 -3,-1.9 4,-2.2 -30,-0.1 3,-2.2 0.565 75.1 115.8 -88.9 -9.8 8.9 28.3 22.4 122 123 X D T <4 S+ 0 0 52 -3,-1.7 -32,-0.1 -4,-0.3 4,-0.1 -0.387 84.4 16.0 -59.6 133.7 9.7 29.8 25.9 123 124 X G T 34 S+ 0 0 38 2,-0.4 -1,-0.3 -36,-0.2 3,-0.1 0.435 124.0 64.0 79.3 0.6 6.4 29.9 27.9 124 125 X K T <4 S+ 0 0 132 -3,-2.2 2,-0.4 1,-0.4 -2,-0.2 0.650 100.3 41.8-121.9 -35.2 4.7 27.5 25.5 125 126 X H S < S- 0 0 31 -4,-2.2 2,-0.8 -38,-0.1 -2,-0.4 -0.955 81.8-121.7-119.1 138.5 6.7 24.3 25.8 126 127 X V - 0 0 0 -2,-0.4 -27,-2.4 -27,-0.2 2,-0.3 -0.690 22.6-151.3 -82.3 110.1 8.0 22.8 29.1 127 128 X V E + G 0 98A 6 -2,-0.8 -38,-0.4 -38,-0.6 -29,-0.3 -0.671 24.9 164.8 -76.9 135.0 11.8 22.4 29.1 128 129 X F E - 0 0 0 -31,-2.5 -104,-2.8 -2,-0.3 2,-0.3 0.327 52.6 -19.6-140.5 8.3 12.8 19.5 31.3 129 130 X G E -CG 23 97A 5 -32,-1.3 -32,-2.5 -106,-0.3 2,-0.3 -0.985 52.8-124.7 176.5-167.0 16.4 18.6 30.5 130 131 X H E -CG 22 96A 66 -108,-1.5 -108,-2.4 -2,-0.3 2,-0.5 -0.985 36.2 -80.6-160.2 164.3 19.3 18.6 28.1 131 132 X V E +C 21 0A 21 -36,-1.8 -110,-0.2 -2,-0.3 3,-0.1 -0.608 33.5 177.3 -74.1 119.7 21.9 16.5 26.2 132 133 X I E S- 0 0 78 -112,-2.8 2,-0.3 -2,-0.5 -111,-0.2 0.825 73.5 -2.7 -83.7 -40.4 24.8 15.4 28.4 133 134 X E E S+C 20 0A 117 -113,-1.3 -113,-2.8 1,-0.1 -1,-0.4 -0.984 108.9 53.7-153.9 146.7 26.4 13.3 25.7 134 135 X G >> + 0 0 7 -2,-0.3 4,-2.0 -115,-0.2 3,-0.7 0.672 44.8 142.8 99.8 20.2 25.7 12.3 22.1 135 136 X M H 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.833 75.7 62.6 -58.3 -27.3 25.1 15.6 20.4 136 137 X D H 3> S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 103.1 48.0 -62.2 -38.7 26.9 13.9 17.4 137 138 X V H <> S+ 0 0 2 -3,-0.7 4,-2.6 -119,-0.2 -2,-0.2 0.913 109.9 52.2 -66.0 -43.7 24.0 11.4 17.3 138 139 X V H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.905 108.4 51.1 -60.2 -42.1 21.5 14.3 17.5 139 140 X K H X S+ 0 0 105 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.870 108.5 52.0 -64.6 -36.7 23.3 15.9 14.5 140 141 X K H X S+ 0 0 102 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.963 111.3 46.4 -61.0 -50.2 23.1 12.7 12.6 141 142 X I H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.933 111.2 52.8 -55.1 -49.7 19.3 12.5 13.3 142 143 X E H >< S+ 0 0 15 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.865 101.9 59.8 -51.6 -42.7 18.9 16.1 12.3 143 144 X S H 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.639 100.4 56.2 -65.5 -17.1 20.7 15.5 9.0 144 145 X F T << S+ 0 0 19 -3,-1.7 8,-2.6 -4,-0.6 9,-0.5 0.235 94.5 91.9 -99.4 11.9 18.0 12.9 8.1 145 146 X G < - 0 0 14 -3,-2.0 2,-0.3 6,-0.2 -89,-0.2 -0.157 58.0-154.8 -89.9-171.0 15.2 15.5 8.5 146 147 X S > - 0 0 34 -91,-2.2 3,-1.5 1,-0.1 -91,-0.1 -0.968 37.3 -90.9-157.4 167.3 13.5 17.9 6.0 147 148 X K T 3 S+ 0 0 202 -2,-0.3 -1,-0.1 1,-0.3 -91,-0.0 0.880 127.1 47.2 -46.8 -45.6 11.6 21.2 5.8 148 149 X S T 3 S- 0 0 64 2,-0.1 -1,-0.3 1,-0.1 -92,-0.1 0.572 117.2-112.5 -76.8 -11.6 8.3 19.3 6.2 149 150 X G S < S+ 0 0 3 -3,-1.5 -94,-2.4 1,-0.3 -87,-0.1 0.183 72.4 139.4 95.0 -15.1 9.6 17.2 9.2 150 151 X R - 0 0 175 -96,-0.2 -1,-0.3 -5,-0.1 2,-0.3 -0.406 49.9-130.2 -63.6 131.0 9.5 14.0 7.1 151 152 X T - 0 0 40 -98,-0.4 -6,-0.2 -2,-0.1 -1,-0.1 -0.631 10.5-154.7 -88.0 147.4 12.5 11.8 7.7 152 153 X S S S+ 0 0 91 -8,-2.6 2,-0.3 -2,-0.3 -7,-0.1 0.460 85.1 39.8 -96.9 -8.2 14.6 10.4 4.9 153 154 X K S S- 0 0 78 -9,-0.5 2,-0.7 -12,-0.1 -1,-0.0 -0.959 94.9-104.7-132.5 154.5 15.8 7.4 7.1 154 155 X K - 0 0 128 -2,-0.3 -142,-2.2 -103,-0.0 2,-0.7 -0.720 37.2-161.3 -81.2 112.6 13.8 5.4 9.6 155 156 X I E +B 11 0A 1 -2,-0.7 -103,-2.1 -103,-0.5 2,-0.4 -0.870 14.0 179.2-104.8 112.7 15.0 6.6 13.0 156 157 X V E -BD 10 51A 32 -146,-1.7 -146,-2.8 -2,-0.7 2,-1.1 -0.932 33.4-137.9-122.8 133.2 14.3 4.2 15.8 157 158 X I E +B 9 0A 0 -107,-3.2 -108,-2.9 -2,-0.4 -107,-0.3 -0.786 28.8 178.1 -81.9 100.9 15.0 4.3 19.5 158 159 X T E + 0 0 37 -150,-1.7 2,-0.3 -2,-1.1 -1,-0.2 0.844 64.2 8.2 -77.3 -34.2 16.0 0.6 19.8 159 160 X D E +B 8 0A 65 -151,-1.1 -151,-3.1 -3,-0.1 2,-0.3 -0.982 65.8 166.7-146.3 150.9 16.8 0.8 23.5 160 161 X C E +B 7 0A 14 -2,-0.3 2,-0.3 -153,-0.2 -153,-0.2 -0.975 12.9 122.7-158.7 164.7 16.4 3.2 26.4 161 162 X G E -B 6 0A 4 -155,-1.6 -155,-2.5 -2,-0.3 2,-0.4 -0.992 52.3 -53.3 166.7-165.2 16.5 3.4 30.1 162 163 X Q E -B 5 0A 74 -2,-0.3 -157,-0.3 -157,-0.2 -2,-0.0 -0.897 24.5-178.1-113.5 132.2 18.0 5.0 33.2 163 164 X L 0 0 82 -159,-2.7 -158,-0.2 -2,-0.4 -1,-0.1 0.768 360.0 360.0 -92.9 -36.0 21.7 5.3 34.1 164 165 X S 0 0 89 -160,-1.5 -159,-0.1 -163,-0.0 -2,-0.1 0.274 360.0 360.0-163.5 360.0 21.4 6.9 37.5