==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-OCT-01 1GO3 . COMPND 2 MOLECULE: DNA-DIRECTED RNA POLYMERASE SUBUNIT E; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS JANNASCHII; . AUTHOR F.TODONE,P.BRICK,F.WERNER,R.O.J.WEINZIERL,S.ONESTI . 564 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 47 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 2 2 1 2 1 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 5 2 1 8 0 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 2 2 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 E M 0 0 8 0, 0.0 77,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.7 37.1 62.6 61.1 2 2 E Y E -AB 77 192A 6 190,-0.6 190,-2.6 75,-0.2 2,-0.3 -0.962 360.0-179.2-121.9 140.5 33.8 61.1 62.3 3 3 E K E -AB 76 191A 20 73,-2.2 73,-2.8 -2,-0.4 2,-0.5 -0.972 26.9-139.9-139.6 155.1 32.0 58.2 60.7 4 4 E I E -AB 75 190A 3 186,-2.5 186,-1.5 -2,-0.3 2,-0.4 -0.970 30.0-161.7-111.3 122.9 28.9 56.1 61.1 5 5 E L E -AB 74 189A 6 69,-3.1 69,-2.3 -2,-0.5 2,-0.6 -0.864 15.8-143.8-111.3 145.8 29.7 52.4 60.4 6 6 E E E -AB 73 188A 50 182,-2.7 181,-2.2 -2,-0.4 182,-1.2 -0.934 29.0-171.1-104.0 120.2 27.3 49.6 59.5 7 7 E I E -AB 72 186A 0 65,-3.1 65,-2.6 -2,-0.6 2,-0.4 -0.953 19.2-150.6-124.3 134.1 28.6 46.4 61.2 8 8 E A E +AB 71 185A 24 177,-2.8 176,-2.9 -2,-0.4 177,-1.5 -0.789 36.1 145.2 -95.2 140.1 27.6 42.8 60.9 9 9 E D E -A 70 0A 9 61,-2.7 61,-3.1 -2,-0.4 2,-0.4 -0.927 47.2-112.8-160.2 179.2 28.2 40.7 64.0 10 10 E V E -A 69 0A 53 -2,-0.3 2,-0.5 59,-0.3 173,-0.1 -0.993 29.7-154.8-128.1 120.6 26.9 37.8 66.2 11 11 E V E -A 68 0A 5 57,-2.9 57,-2.6 -2,-0.4 2,-0.6 -0.868 8.1-140.3-105.4 128.8 25.6 38.7 69.7 12 12 E K E -A 67 0A 76 -2,-0.5 55,-0.2 55,-0.2 -2,-0.0 -0.744 16.7-166.0 -86.8 115.1 25.6 36.2 72.6 13 13 E V E -A 66 0A 2 53,-2.8 53,-2.8 -2,-0.6 5,-0.1 -0.905 14.9-137.2-107.3 114.1 22.5 36.6 74.7 14 14 E P > - 0 0 40 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.323 20.2-117.9 -65.9 148.7 22.6 34.8 78.1 15 15 E P G > S+ 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.767 110.0 71.7 -59.3 -26.6 19.5 32.9 79.2 16 16 E E G 3 S+ 0 0 141 1,-0.3 3,-0.2 2,-0.1 49,-0.0 0.684 99.9 48.7 -63.3 -16.2 19.1 35.2 82.2 17 17 E E G X S+ 0 0 52 -3,-2.0 3,-1.8 1,-0.1 -1,-0.3 0.384 75.7 106.1-104.8 2.1 18.0 37.9 79.7 18 18 E F T < S+ 0 0 118 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.700 78.3 54.6 -57.1 -20.8 15.4 35.8 77.8 19 19 E G T 3 S+ 0 0 86 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.617 94.6 84.7 -89.3 -11.1 12.5 37.7 79.4 20 20 E K S < S- 0 0 121 -3,-1.8 2,-0.0 1,-0.1 -3,-0.0 -0.463 99.1 -74.4 -89.7 161.5 13.7 41.2 78.5 21 21 E D > - 0 0 108 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.321 42.6-141.1 -55.0 125.5 13.2 43.1 75.2 22 22 E L H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 96.1 46.9 -57.7 -51.9 15.5 41.5 72.6 23 23 E K H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 114.4 47.0 -60.2 -43.8 16.6 44.7 70.8 24 24 E E H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 113.5 49.1 -64.4 -39.7 17.3 46.5 74.1 25 25 E T H X S+ 0 0 13 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 112.6 47.0 -65.6 -44.9 19.2 43.6 75.5 26 26 E V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.918 111.7 51.0 -64.1 -42.5 21.3 43.2 72.3 27 27 E K H X S+ 0 0 44 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.923 109.8 50.1 -61.8 -42.6 22.0 46.9 72.2 28 28 E K H X S+ 0 0 82 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 110.3 49.8 -62.1 -42.7 23.2 46.9 75.8 29 29 E I H X S+ 0 0 37 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 111.3 49.0 -63.1 -42.3 25.5 43.9 75.2 30 30 E L H X>S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.5 0.884 110.0 51.7 -64.8 -39.2 27.0 45.7 72.2 31 31 E M H X5S+ 0 0 31 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.941 111.6 45.8 -63.3 -46.7 27.5 48.9 74.1 32 32 E E H <5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.863 118.1 44.7 -64.9 -34.9 29.3 47.1 76.9 33 33 E K H <5S+ 0 0 98 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.905 128.1 17.4 -78.2 -41.9 31.4 45.1 74.4 34 34 E Y H ><5S+ 0 0 4 -4,-2.8 3,-2.2 -5,-0.2 11,-0.3 0.778 89.1 100.7-107.0 -31.6 32.5 47.8 72.0 35 35 E E T 3< -C 43 0A 38 4,-2.6 4,-2.1 -2,-0.5 112,-0.1 -0.943 28.2-137.7-116.4 134.3 41.1 50.2 66.8 40 40 E K T 4 S+ 0 0 60 -2,-0.4 -1,-0.1 1,-0.2 110,-0.1 0.844 106.6 30.6 -53.8 -39.1 43.9 51.2 64.6 41 41 E D T 4 S+ 0 0 144 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.825 130.2 34.1 -91.6 -36.8 41.8 50.7 61.5 42 42 E V T 4 S- 0 0 23 1,-0.2 2,-0.3 -37,-0.0 -2,-0.2 0.880 97.0-142.9 -87.4 -43.5 38.3 51.5 62.7 43 43 E G E < -C 39 0A 0 -4,-2.1 -4,-2.6 33,-0.1 2,-0.6 -0.772 45.4 -20.5 114.2-160.6 39.0 54.2 65.3 44 44 E F E -CD 38 77A 3 33,-2.9 33,-1.9 -2,-0.3 2,-0.8 -0.789 60.7-133.6 -91.4 120.6 37.5 55.0 68.7 45 45 E V E + D 0 76A 1 -8,-2.7 -9,-2.7 -2,-0.6 31,-0.2 -0.631 31.8 170.3 -77.4 109.7 34.0 53.5 69.2 46 46 E L E - 0 0 0 29,-2.4 2,-0.3 -2,-0.8 30,-0.2 0.844 56.8 -5.9 -88.6 -39.4 31.8 56.3 70.6 47 47 E S E - D 0 75A 3 28,-1.4 28,-2.1 -13,-0.0 2,-1.1 -0.985 48.6-129.0-161.5 146.5 28.3 54.9 70.5 48 48 E I E - D 0 74A 0 -2,-0.3 26,-0.2 26,-0.2 3,-0.1 -0.875 34.2-172.5 -92.8 100.9 26.2 52.0 69.4 49 49 E V E - 0 0 37 24,-1.3 2,-0.3 -2,-1.1 -1,-0.2 0.887 54.8 -30.4 -67.0 -41.6 23.6 54.2 67.6 50 50 E D E - D 0 73A 47 23,-1.2 23,-3.0 -3,-0.1 2,-0.6 -0.977 50.1-115.6-172.1 159.9 21.1 51.5 66.8 51 51 E V E - D 0 72A 5 -2,-0.3 21,-0.3 21,-0.2 3,-0.1 -0.954 27.4-176.3-108.0 117.1 20.6 47.9 66.0 52 52 E K E + 0 0 96 19,-2.1 2,-0.3 -2,-0.6 20,-0.2 0.620 64.2 13.6 -91.9 -15.4 19.2 47.6 62.5 53 53 E D E - D 0 71A 100 18,-1.4 18,-1.9 -30,-0.1 2,-0.4 -0.936 52.0-173.1-163.1 137.3 18.6 43.8 62.3 54 54 E I E - D 0 70A 42 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.949 17.4-156.8-135.8 112.8 18.5 40.8 64.6 55 55 E G - 0 0 25 14,-3.2 2,-0.0 -2,-0.4 -2,-0.0 -0.128 38.4 -66.7 -80.1 179.8 18.2 37.3 63.2 56 56 E E - 0 0 114 12,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.369 60.0-104.1 -67.4 146.2 16.9 34.2 64.8 57 57 E G - 0 0 40 11,-0.2 2,-0.4 -3,-0.1 11,-0.2 -0.435 28.8-152.6 -75.2 145.3 19.0 32.8 67.7 58 58 E K B -E 67 0A 55 9,-1.9 9,-3.0 -2,-0.1 2,-0.5 -0.947 4.8-155.8-117.7 137.5 21.2 29.8 67.3 59 59 E V - 0 0 103 -2,-0.4 2,-0.4 7,-0.2 7,-0.1 -0.955 4.5-162.5-118.0 131.8 22.1 27.5 70.2 60 60 E V > - 0 0 76 -2,-0.5 3,-1.6 5,-0.4 5,-0.1 -0.869 34.2 -92.0-111.1 145.4 25.3 25.3 70.3 61 61 E H T 3 S+ 0 0 184 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 -0.110 110.0 23.2 -53.6 149.5 25.8 22.4 72.6 62 62 E G T 3 S+ 0 0 93 1,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.473 109.8 89.8 72.7 1.4 27.4 23.0 76.0 63 63 E D < - 0 0 51 -3,-1.6 -3,-0.2 2,-0.1 -1,-0.1 -0.994 55.7-166.3-133.5 127.0 26.3 26.6 75.8 64 64 E G + 0 0 50 -2,-0.4 2,-0.1 -5,-0.1 -1,-0.1 0.482 59.2 101.7 -90.6 -1.9 23.1 28.0 77.1 65 65 E S S S- 0 0 9 -51,-0.1 2,-0.6 -5,-0.1 -5,-0.4 -0.418 70.6-125.4 -82.5 158.2 23.3 31.4 75.3 66 66 E A E -A 13 0A 10 -53,-2.8 -53,-2.8 -7,-0.1 2,-0.7 -0.913 19.2-149.0-104.3 121.0 21.4 32.3 72.2 67 67 E Y E -AE 12 58A 62 -9,-3.0 -9,-1.9 -2,-0.6 -55,-0.2 -0.823 16.5-170.1 -95.2 113.1 23.6 33.6 69.4 68 68 E H E -A 11 0A 19 -57,-2.6 -57,-2.9 -2,-0.7 2,-0.2 -0.865 21.0-131.4-106.7 132.1 21.9 36.1 67.2 69 69 E P E +A 10 0A 67 0, 0.0 -14,-3.2 0, 0.0 2,-0.3 -0.574 40.5 178.0 -74.7 142.7 23.2 37.4 63.9 70 70 E V E -AD 9 54A 4 -61,-3.1 -61,-2.7 -16,-0.2 2,-0.4 -0.971 33.3-151.0-146.6 161.5 22.9 41.2 64.0 71 71 E V E +AD 8 53A 31 -18,-1.9 -19,-2.1 -2,-0.3 -18,-1.4 -0.995 28.4 175.7-130.7 122.2 23.6 44.4 62.0 72 72 E F E -AD 7 51A 0 -65,-2.6 -65,-3.1 -2,-0.4 2,-0.4 -0.905 25.1-130.1-129.7 159.7 24.3 47.5 64.1 73 73 E E E -AD 6 50A 41 -23,-3.0 -24,-1.3 -2,-0.3 -23,-1.2 -0.881 26.2-175.1-108.8 138.9 25.3 51.1 63.5 74 74 E T E -AD 5 48A 1 -69,-2.3 -69,-3.1 -2,-0.4 2,-0.5 -0.997 22.1-136.9-140.9 141.7 28.1 52.8 65.3 75 75 E L E -AD 4 47A 0 -28,-2.1 -29,-2.4 -2,-0.4 -28,-1.4 -0.801 31.3-179.9 -93.2 130.3 29.6 56.3 65.5 76 76 E V E -AD 3 45A 0 -73,-2.8 -73,-2.2 -2,-0.5 2,-0.5 -0.932 26.4-137.6-132.3 155.2 33.4 56.4 65.5 77 77 E Y E +AD 2 44A 4 -33,-1.9 -33,-2.9 -2,-0.3 -75,-0.2 -0.958 26.0 179.0-109.5 127.0 36.2 58.9 65.7 78 78 E I - 0 0 13 -77,-3.1 2,-0.2 -2,-0.5 -35,-0.1 -0.935 18.3-148.6-136.1 112.5 39.1 58.3 63.3 79 79 E P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 69,-0.0 -0.547 19.4-158.2 -74.3 141.5 42.1 60.6 63.0 80 80 E E > - 0 0 36 -2,-0.2 3,-1.9 67,-0.0 65,-0.3 -0.961 24.7 -96.3-126.3 143.1 43.6 60.6 59.5 81 81 E M T 3 S+ 0 0 84 -2,-0.4 65,-0.2 1,-0.3 3,-0.1 -0.255 107.6 6.2 -56.2 136.5 47.1 61.6 58.3 82 82 E Y T 3 S+ 0 0 132 63,-2.1 -1,-0.3 1,-0.2 186,-0.2 0.609 93.1 157.6 65.8 13.8 47.4 65.1 57.1 83 83 E E < - 0 0 16 -3,-1.9 62,-2.2 62,-0.1 2,-0.5 -0.444 42.6-127.3 -72.8 141.7 43.9 65.8 58.2 84 84 E L E +F 144 0B 5 60,-0.2 2,-0.3 182,-0.1 60,-0.2 -0.785 39.2 174.6 -88.8 124.4 42.8 69.5 58.8 85 85 E I E -F 143 0B 9 58,-3.0 58,-2.3 -2,-0.5 2,-0.4 -0.838 27.9-151.6-130.0 166.8 41.3 69.8 62.2 86 86 E E E +F 142 0B 12 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.992 33.2 146.4-133.6 137.1 39.9 72.4 64.7 87 87 E G E -F 141 0B 0 54,-2.0 54,-2.7 -2,-0.4 2,-0.4 -0.946 43.0 -93.3-159.4 180.0 40.0 71.8 68.4 88 88 E E E -FG 140 100B 29 12,-0.9 12,-2.8 -2,-0.3 2,-0.4 -0.885 33.6-120.3-110.6 135.4 40.3 73.3 71.9 89 89 E V E + G 0 99B 1 50,-2.8 49,-2.9 -2,-0.4 10,-0.3 -0.586 33.5 171.9 -72.3 122.9 43.6 73.5 73.9 90 90 E V E + 0 0 38 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.481 63.9 17.7-111.6 -5.9 43.1 71.6 77.1 91 91 E D E - 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0 0 3 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.297 28.3-114.4 -72.9 161.6 29.9 66.1 60.0 194 14 F V H > S+ 0 0 7 56,-0.2 4,-2.4 1,-0.2 31,-0.2 0.876 118.0 59.2 -62.6 -36.3 30.7 67.2 63.5 195 15 F S H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 34,-0.3 0.911 110.0 39.7 -59.6 -45.0 27.3 68.8 63.6 196 16 F E H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.915 113.8 54.1 -72.0 -41.9 25.5 65.5 63.0 197 17 F A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.859 104.2 57.5 -59.2 -35.8 27.9 63.6 65.3 198 18 F A H X S+ 0 0 11 -4,-2.4 4,-1.6 23,-0.2 -1,-0.2 0.896 108.3 45.0 -62.8 -40.7 27.1 66.0 68.0 199 19 F E H X S+ 0 0 42 -4,-1.2 4,-2.1 -3,-0.3 -1,-0.2 0.868 111.5 53.1 -71.9 -35.5 23.4 65.2 67.8 200 20 F I H X S+ 0 0 16 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.909 111.8 45.3 -65.1 -41.2 24.2 61.5 67.7 201 21 F M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.813 108.0 58.2 -71.4 -30.1 26.3 61.7 70.8 202 22 F Y H X S+ 0 0 114 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.934 106.8 48.2 -63.4 -44.6 23.6 63.9 72.5 203 23 F N H >X S+ 0 0 91 -4,-2.1 3,-0.7 1,-0.2 4,-0.5 0.877 108.7 53.9 -63.1 -38.3 21.1 61.0 71.9 204 24 F R H >X S+ 0 0 15 -4,-1.6 3,-1.2 1,-0.2 4,-0.6 0.895 104.3 55.0 -63.3 -39.3 23.6 58.5 73.4 205 25 F A H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.687 100.6 61.9 -67.8 -17.1 23.9 60.6 76.5 206 26 F Q H << S+ 0 0 112 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.653 103.2 47.8 -83.7 -15.6 20.1 60.4 76.9 207 27 F I H << S- 0 0 92 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 0.542 124.8 -14.2-101.8 -8.3 20.1 56.6 77.3 208 28 F G S < S- 0 0 29 -4,-0.6 -1,-0.3 -3,-0.1 2,-0.1 -0.938 81.3 -68.1 177.6 161.0 22.9 56.2 79.9 209 29 F E - 0 0 189 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.1 -0.361 52.0-127.4 -64.1 136.6 25.8 57.8 81.7 210 30 F L - 0 0 31 -5,-0.1 -1,-0.1 1,-0.1 -5,-0.0 -0.544 15.0-118.4 -87.4 151.8 28.8 58.5 79.4 211 31 F S > - 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.221 39.9 -96.8 -74.1 175.0 32.4 57.4 80.1 212 32 F Y H > S+ 0 0 183 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.949 126.1 44.0 -61.3 -48.7 35.0 60.1 80.5 213 33 F E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 112.0 52.3 -66.2 -36.1 36.1 59.9 76.9 214 34 F Q H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 110.2 50.8 -65.4 -36.4 32.6 59.8 75.6 215 35 F G H X S+ 0 0 29 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 108.3 50.5 -67.3 -39.4 31.9 62.9 77.7 216 36 F C H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.889 109.6 52.3 -64.2 -39.6 34.9 64.7 76.2 217 37 F A H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.926 109.1 48.4 -62.5 -45.4 33.7 63.7 72.7 218 38 F L H X S+ 0 0 28 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.919 112.3 49.4 -61.2 -43.3 30.2 65.2 73.4 219 39 F D H X S+ 0 0 49 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.936 114.2 44.8 -60.9 -48.7 31.8 68.4 74.8 220 40 F Y H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.955 113.6 49.6 -59.8 -52.9 34.1 68.7 71.7 221 41 F L H X S+ 0 0 0 -4,-3.1 4,-0.8 1,-0.2 -23,-0.2 0.883 111.4 47.9 -56.7 -43.0 31.3 68.0 69.2 222 42 F Q H < S+ 0 0 101 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.2 0.857 114.1 47.9 -68.6 -33.4 28.9 70.5 70.7 223 43 F K H < S+ 0 0 79 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.823 117.8 39.3 -76.6 -31.7 31.6 73.2 70.8 224 44 F F H < S+ 0 0 10 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.2 0.380 83.7 107.6-103.1 6.9 32.7 72.7 67.2 225 45 F A < - 0 0 27 -4,-0.8 29,-0.1 -3,-0.2 4,-0.0 -0.750 46.4-173.0 -82.2 118.7 29.4 72.0 65.5 226 46 F K + 0 0 85 -2,-0.6 2,-0.3 27,-0.2 -1,-0.1 0.381 67.4 23.4 -96.8 4.7 28.9 75.2 63.5 227 47 F L S S- 0 0 43 27,-0.0 2,-0.1 3,-0.0 59,-0.0 -0.941 89.6 -95.1-155.6 166.3 25.3 74.3 62.4 228 48 F D > - 0 0 91 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.368 50.1 -96.6 -80.5 172.5 22.5 72.1 63.6 229 49 F K H > S+ 0 0 86 -34,-0.3 4,-2.4 1,-0.2 5,-0.3 0.915 120.6 54.1 -57.4 -47.6 22.3 68.6 62.1 230 50 F E H > S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 112.4 42.2 -52.4 -54.6 19.7 69.5 59.4 231 51 F E H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 112.6 53.5 -62.4 -42.0 21.7 72.4 58.0 232 52 F A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.912 111.2 45.7 -61.2 -42.6 25.0 70.6 58.0 233 53 F K H X S+ 0 0 67 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.814 111.3 53.2 -71.0 -29.1 23.6 67.6 56.1 234 54 F K H X S+ 0 0 33 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.880 109.3 49.1 -71.6 -37.8 21.9 70.0 53.7 235 55 F L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.924 109.4 51.1 -66.4 -45.1 25.2 71.8 53.0 236 56 F V H X S+ 0 0 16 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.898 109.8 51.1 -59.8 -40.6 27.0 68.5 52.5 237 57 F E H X S+ 0 0 132 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.909 109.1 50.1 -63.5 -42.9 24.4 67.5 50.0 238 58 F E H X S+ 0 0 65 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.928 112.4 47.2 -61.1 -45.2 24.7 70.7 48.1 239 59 F L H ><>S+ 0 0 0 -4,-2.5 5,-1.7 1,-0.2 3,-0.7 0.867 111.1 51.3 -64.3 -37.9 28.5 70.3 47.9 240 60 F I H ><5S+ 0 0 74 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.838 101.0 62.5 -68.4 -32.3 28.1 66.7 46.8 241 61 F S H 3<5S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 98.5 57.4 -64.3 -21.8 25.8 67.8 44.0 242 62 F L T <<5S- 0 0 63 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.422 128.0 -99.6 -88.4 0.1 28.7 69.8 42.6 243 63 F G T < 5S+ 0 0 67 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.519 72.5 149.6 94.9 6.3 30.7 66.6 42.4 244 64 F I < - 0 0 19 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.605 52.5-109.7 -76.7 128.1 32.7 67.1 45.6 245 65 F D > - 0 0 68 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.126 27.4-112.0 -54.0 152.2 33.7 63.8 47.2 246 66 F E H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 112.8 50.8 -53.0 -55.4 32.0 62.9 50.4 247 67 F K H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 115.2 43.3 -53.0 -45.0 35.0 63.2 52.8 248 68 F T H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.902 111.1 53.9 -70.0 -41.2 35.9 66.7 51.4 249 69 F A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.894 110.6 48.0 -59.4 -40.6 32.3 67.9 51.4 250 70 F V H X S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 -56,-0.2 0.919 110.4 50.5 -66.5 -44.3 32.0 66.9 55.1 251 71 F K H X S+ 0 0 23 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.894 110.2 50.7 -61.0 -39.9 35.3 68.6 55.9 252 72 F I H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.909 110.2 49.3 -64.4 -41.5 34.0 71.8 54.2 253 73 F A H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.6 48.9 -66.7 -31.3 30.8 71.6 56.2 254 74 F D H < S+ 0 0 15 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.905 121.8 32.5 -73.1 -43.3 32.8 71.2 59.4 255 75 F I H < S- 0 0 7 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.861 85.6-152.3 -82.3 -40.8 35.2 74.1 58.7 256 76 F L < - 0 0 37 -4,-3.3 -3,-0.1 -5,-0.3 -4,-0.1 0.992 20.9-141.8 60.8 63.7 32.9 76.5 56.8 257 77 F P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.251 18.8-167.5 -57.2 141.1 35.7 78.2 54.8 258 78 F E + 0 0 151 1,-0.1 2,-0.3 25,-0.1 -2,-0.0 0.540 66.0 9.1-107.7 -12.7 35.3 81.9 54.3 259 79 F D S >> S- 0 0 41 1,-0.1 4,-1.6 0, 0.0 3,-0.5 -0.944 87.2 -83.5-156.7 175.8 37.9 82.5 51.6 260 80 F L H 3> S+ 0 0 55 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.855 121.3 58.2 -56.5 -38.5 40.4 80.8 49.2 261 81 F D H 3> S+ 0 0 26 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 103.6 51.9 -61.4 -38.8 43.0 80.4 51.9 262 82 F D H <> S+ 0 0 5 -3,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.902 110.4 49.3 -63.8 -38.8 40.7 78.4 54.0 263 83 F L H X S+ 0 0 0 -4,-1.6 4,-3.3 1,-0.2 -2,-0.2 0.859 106.2 56.0 -67.1 -35.0 40.0 76.2 51.0 264 84 F R H < S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 6,-0.2 0.842 104.7 53.7 -65.1 -32.0 43.8 75.9 50.5 265 85 F A H < S+ 0 0 0 -4,-1.6 3,-0.4 -5,-0.2 -1,-0.2 0.885 113.1 42.7 -68.3 -38.4 44.0 74.6 54.0 266 86 F I H < S+ 0 0 19 -4,-1.5 2,-1.8 1,-0.2 -2,-0.2 0.924 109.8 56.4 -73.2 -46.9 41.4 71.9 53.2 267 87 F Y S >< S+ 0 0 14 -4,-3.3 3,-1.6 -5,-0.1 -1,-0.2 -0.413 81.4 179.9 -85.6 62.0 42.8 71.0 49.8 268 88 F Y T 3 S- 0 0 62 -2,-1.8 3,-0.1 -3,-0.4 -3,-0.1 -0.449 71.2 -6.1 -67.4 130.5 46.2 70.1 51.3 269 89 F K T 3 S+ 0 0 175 1,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.737 118.9 108.1 54.4 22.8 48.7 69.0 48.6 270 90 F R S < S- 0 0 118 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.2 -0.946 78.1-107.8-127.8 148.6 45.7 69.1 46.3 271 91 F E - 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0 0 27 -4,-0.8 29,-0.1 -3,-0.5 30,-0.1 -0.824 46.4-179.0 -89.0 117.1 -24.1 20.0 56.7 509 46 N K + 0 0 89 -2,-0.7 2,-0.2 28,-0.2 -1,-0.2 0.908 63.6 36.0 -86.8 -44.7 -27.3 21.4 58.3 510 47 N L S S- 0 0 22 26,-0.3 2,-0.1 1,-0.1 60,-0.0 -0.598 92.7-102.4-101.9 165.6 -26.1 24.7 59.8 511 48 N D > - 0 0 96 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.407 44.0 -97.2 -79.8 168.8 -23.5 27.0 58.2 512 49 N K H > S+ 0 0 53 -34,-0.3 4,-2.5 1,-0.2 5,-0.3 0.902 120.6 51.0 -53.6 -50.0 -20.0 27.0 59.7 513 50 N E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.935 115.0 42.5 -55.1 -50.6 -20.4 30.0 62.0 514 51 N E H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.883 112.0 54.2 -65.1 -41.0 -23.6 28.7 63.5 515 52 N A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.940 111.8 43.5 -60.1 -48.0 -22.3 25.1 63.8 516 53 N K H X S+ 0 0 66 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.858 111.5 54.9 -66.9 -34.3 -19.2 26.1 65.7 517 54 N K H X S+ 0 0 55 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.924 109.5 47.8 -63.4 -43.2 -21.2 28.5 67.9 518 55 N L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.910 110.8 50.1 -63.9 -44.0 -23.5 25.6 68.8 519 56 N V H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.921 110.4 50.6 -61.3 -43.8 -20.6 23.3 69.6 520 57 N E H X S+ 0 0 70 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.910 110.4 49.6 -60.7 -42.7 -19.0 26.0 71.8 521 58 N E H X S+ 0 0 53 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.859 112.8 47.1 -65.8 -35.2 -22.3 26.4 73.7 522 59 N L H >X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.884 110.1 51.5 -73.6 -39.2 -22.6 22.7 74.2 523 60 N I H ><5S+ 0 0 70 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.848 105.1 58.3 -65.4 -31.8 -19.0 22.3 75.4 524 61 N S H 3<5S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.771 100.0 57.5 -67.5 -26.1 -19.7 25.1 77.9 525 62 N L H <<5S- 0 0 69 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.698 129.3 -97.0 -76.5 -20.1 -22.5 23.0 79.3 526 63 N G T <<5S+ 0 0 67 -3,-0.7 2,-0.2 -4,-0.7 -3,-0.2 0.398 76.7 142.2 118.2 0.7 -20.0 20.2 80.0 527 64 N I < - 0 0 11 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.530 56.7-107.9 -75.2 138.4 -20.6 18.0 77.0 528 65 N D > - 0 0 62 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.287 29.8-111.3 -64.5 152.5 -17.4 16.4 75.6 529 66 N E H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 112.8 47.0 -51.1 -57.9 -16.1 17.8 72.3 530 67 N K H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.831 115.5 46.5 -59.2 -32.6 -16.8 14.8 70.0 531 68 N T H > S+ 0 0 8 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.887 111.8 50.9 -76.0 -38.6 -20.4 14.4 71.4 532 69 N A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.885 110.7 50.6 -63.3 -39.0 -21.0 18.2 71.1 533 70 N V H X S+ 0 0 2 -4,-2.7 4,-1.7 -5,-0.2 -56,-0.2 0.927 109.9 48.4 -65.1 -45.5 -19.8 18.0 67.5 534 71 N K H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.885 109.7 53.5 -63.0 -38.3 -22.1 15.0 66.7 535 72 N I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.911 108.7 48.7 -62.4 -42.6 -25.0 16.9 68.3 536 73 N A H < S+ 0 0 1 -4,-2.0 -26,-0.3 1,-0.2 -1,-0.2 0.810 112.0 50.6 -67.6 -29.3 -24.4 19.9 66.0 537 74 N D H < S+ 0 0 13 -4,-1.7 -28,-0.2 -5,-0.1 -2,-0.2 0.927 120.6 32.6 -72.1 -46.1 -24.2 17.6 63.0 538 75 N I H < S- 0 0 9 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.836 86.0-150.8 -80.5 -37.8 -27.5 15.8 63.8 539 76 N L < - 0 0 20 -4,-3.1 -3,-0.1 -5,-0.3 -4,-0.1 0.976 20.0-147.8 60.7 57.9 -29.5 18.6 65.4 540 77 N P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 26,-0.1 -0.260 20.2-174.4 -57.1 141.1 -31.6 16.2 67.6 541 78 N E + 0 0 132 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.528 63.9 26.9-115.6 -12.0 -35.1 17.5 68.2 542 79 N D S > S- 0 0 50 1,-0.0 4,-1.4 0, 0.0 3,-0.4 -0.909 89.1 -94.5-143.5 170.3 -36.5 14.9 70.6 543 80 N L H > S+ 0 0 54 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.835 119.6 58.5 -57.3 -35.6 -35.2 12.5 73.3 544 81 N D H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 103.4 51.4 -62.4 -41.6 -35.0 9.6 70.8 545 82 N D H > S+ 0 0 13 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.878 111.6 48.9 -61.8 -36.6 -32.6 11.5 68.5 546 83 N L H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.849 106.0 55.7 -71.5 -35.2 -30.5 12.1 71.6 547 84 N R H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.819 103.5 56.5 -66.3 -29.7 -30.6 8.5 72.6 548 85 N A H < S+ 0 0 1 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.862 111.0 43.2 -68.8 -35.8 -29.2 7.6 69.2 549 86 N I H < S+ 0 0 17 -4,-1.1 2,-2.0 1,-0.2 -2,-0.2 0.925 108.6 57.7 -75.5 -46.8 -26.2 9.9 69.8 550 87 N Y S >< S+ 0 0 17 -4,-2.8 3,-1.4 -5,-0.1 2,-0.3 -0.434 81.6 179.2 -84.3 65.0 -25.6 8.7 73.4 551 88 N Y T 3 - 0 0 66 -2,-2.0 3,-0.1 -3,-0.3 -3,-0.1 -0.510 69.3 -4.6 -71.5 130.2 -25.2 5.1 72.3 552 89 N K T 3 S+ 0 0 151 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.738 118.3 105.4 57.0 23.1 -24.5 2.7 75.2 553 90 N R S < S- 0 0 116 -3,-1.4 -1,-0.2 -6,-0.2 2,-0.1 -0.963 81.2 -99.6-131.7 149.5 -24.4 5.8 77.4 554 91 N E - 0 0 90 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.410 46.5-103.4 -66.7 140.5 -26.8 7.2 79.9 555 92 N L - 0 0 55 1,-0.1 4,-0.1 -2,-0.1 -1,-0.1 -0.502 49.8 -99.7 -65.7 126.9 -29.0 10.0 78.5 556 93 N P > - 0 0 25 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.134 20.7-126.4 -50.7 140.5 -27.5 13.2 80.0 557 94 N E T 3 S+ 0 0 140 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.772 112.7 50.7 -59.2 -26.5 -29.4 14.6 83.0 558 95 N N T 3> S+ 0 0 58 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 -0.148 71.2 129.0-104.4 37.1 -29.6 17.9 81.1 559 96 N A H <> S+ 0 0 8 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 0.911 70.9 52.5 -57.4 -46.8 -31.0 16.3 77.9 560 97 N E H > S+ 0 0 114 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.873 106.9 52.4 -59.4 -39.1 -33.9 18.8 77.7 561 98 N E H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.884 106.8 54.3 -64.7 -37.2 -31.6 21.8 78.0 562 99 N I H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.939 109.0 47.1 -60.9 -48.0 -29.6 20.3 75.1 563 100 N L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.868 111.1 52.4 -62.2 -37.1 -32.7 20.1 72.9 564 101 N E H X S+ 0 0 59 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.927 109.5 48.6 -65.1 -44.2 -33.6 23.7 73.9 565 102 N I H >< S+ 0 0 11 -4,-2.6 3,-1.0 1,-0.2 4,-0.4 0.923 112.0 48.7 -61.3 -45.4 -30.2 25.0 72.9 566 103 N V H >X S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 4,-0.8 0.912 102.9 62.3 -60.6 -42.1 -30.3 23.2 69.6 567 104 N R H 3< S+ 0 0 133 -4,-2.3 3,-0.4 1,-0.3 -1,-0.3 0.757 93.5 65.2 -56.0 -24.8 -33.8 24.6 69.0 568 105 N K T << S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.704 104.4 44.4 -72.5 -19.2 -32.2 28.0 69.1 569 106 N Y T <4 0 0 27 -3,-2.4 -1,-0.2 -4,-0.4 -2,-0.2 0.535 360.0 360.0-101.5 -9.3 -30.3 27.2 65.9 570 107 N I < 0 0 129 -4,-0.8 -60,-0.0 -3,-0.4 -31,-0.0 -0.743 360.0 360.0 -91.5 360.0 -33.1 25.6 63.9