==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/PROTEIN BINDING 06-JUL-11 3SR2 . COMPND 2 MOLECULE: DNA REPAIR PROTEIN XRCC4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HAMMEL,S.CLASSEN,J.A.TAINER . 1432 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74528.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 995 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 301 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 23 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 94 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 440 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.0 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 5 2 3 3 5 4 5 8 1 0 0 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 10 1 1 4 18 11 0 1 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 3 3 8 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 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 0 176 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 141.7 47.2 -40.5 -65.7 2 2 A E E +A 24 0A 96 22,-2.5 22,-1.5 25,-0.1 2,-0.3 -0.770 360.0 158.3-124.8 164.5 49.5 -43.5 -65.3 3 3 A R E -A 23 0A 52 20,-0.3 2,-0.3 -2,-0.3 20,-0.2 -0.987 17.0-162.0-175.3 167.5 52.9 -44.5 -64.2 4 4 A K E -A 22 0A 88 18,-2.0 18,-2.1 -2,-0.3 2,-0.3 -0.940 8.7-158.2-152.2 176.3 55.6 -46.9 -62.9 5 5 A I E +A 21 0A 25 -2,-0.3 2,-0.2 16,-0.2 16,-0.2 -0.957 17.3 144.8-151.4 157.8 59.1 -47.1 -61.2 6 6 A S E -A 20 0A 13 14,-1.7 14,-2.1 -2,-0.3 2,-0.2 -0.907 37.3 -94.7 173.6 173.2 62.1 -49.3 -60.6 7 7 A R E +A 19 0A 98 -2,-0.2 2,-0.3 12,-0.2 12,-0.2 -0.567 29.8 177.8-104.5 165.1 66.0 -49.6 -60.2 8 8 A I - 0 0 14 10,-1.4 2,-0.8 -2,-0.2 10,-0.4 -0.960 32.2-111.4-157.7 158.1 68.7 -50.3 -62.7 9 9 A H - 0 0 102 -2,-0.3 77,-0.6 8,-0.2 8,-0.1 -0.824 26.9-148.7-106.6 103.3 72.5 -50.5 -62.7 10 10 A L B -e 86 0B 1 -2,-0.8 77,-0.2 6,-0.4 5,-0.1 -0.315 13.0-136.9 -54.9 145.7 74.2 -47.6 -64.6 11 11 A V S S+ 0 0 79 75,-1.4 -1,-0.1 1,-0.2 76,-0.1 0.843 105.1 58.6 -74.5 -30.3 77.5 -48.7 -66.1 12 12 A S S S+ 0 0 71 1,-0.3 -1,-0.2 76,-0.3 75,-0.1 0.817 122.9 23.1 -68.6 -28.4 79.0 -45.5 -64.9 13 13 A E + 0 0 34 3,-0.1 -3,-0.4 1,-0.1 -1,-0.3 -0.521 57.6 163.3-139.6 71.3 78.1 -46.3 -61.3 14 14 A P S S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 0.421 83.2 63.7 -63.6 5.1 77.6 -50.1 -60.7 15 15 A S S S+ 0 0 99 1,-0.2 2,-0.5 -5,-0.1 -2,-0.1 0.901 96.3 51.1 -90.0 -63.6 78.0 -48.8 -57.1 16 16 A I S S- 0 0 39 -3,-0.1 2,-1.2 -6,-0.0 -6,-0.4 -0.720 79.4-140.6 -78.6 121.6 75.0 -46.5 -56.7 17 17 A T - 0 0 33 -2,-0.5 -8,-0.2 -8,-0.1 -1,-0.0 -0.730 27.2-156.9 -84.7 88.5 71.6 -48.2 -57.7 18 18 A H - 0 0 0 -2,-1.2 -10,-1.4 -10,-0.4 2,-0.3 -0.017 6.0-126.6 -65.2 172.2 69.8 -45.3 -59.5 19 19 A F E -AB 7 37A 5 18,-2.6 18,-1.9 -12,-0.2 2,-0.4 -0.892 14.0-157.2-136.1 152.3 66.1 -45.0 -60.0 20 20 A L E -AB 6 36A 8 -14,-2.1 -14,-1.7 -2,-0.3 2,-0.4 -0.990 6.3-174.5-140.7 133.7 63.5 -44.5 -62.8 21 21 A Q E -AB 5 35A 20 14,-2.1 14,-1.9 -2,-0.4 2,-0.5 -0.989 7.1-172.5-133.2 124.5 60.0 -43.3 -63.0 22 22 A V E -AB 4 34A 8 -18,-2.1 -18,-2.0 -2,-0.4 2,-0.4 -0.962 4.8-170.1-126.3 114.8 58.0 -43.4 -66.2 23 23 A S E +AB 3 33A 21 10,-2.5 10,-2.5 -2,-0.5 -20,-0.3 -0.865 12.1 158.9-109.0 142.9 54.7 -41.8 -66.5 24 24 A W E -A 2 0A 30 -22,-1.5 -22,-2.5 -2,-0.4 8,-0.1 -0.624 37.2-120.5-138.1-158.5 52.1 -42.0 -69.4 25 25 A E S S- 0 0 104 2,-0.6 -1,-0.1 6,-0.4 3,-0.1 0.768 84.0 -30.7-116.0 -62.8 48.4 -41.6 -70.2 26 26 A K S S+ 0 0 172 1,-0.7 2,-0.3 -24,-0.1 -2,-0.1 0.595 126.5 17.4-129.6 -59.3 46.8 -44.7 -71.5 27 27 A T S > S- 0 0 53 1,-0.1 3,-1.7 4,-0.1 -1,-0.7 -0.867 78.0-114.3-118.3 156.2 49.3 -46.7 -73.3 28 28 A L G > S+ 0 0 6 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.897 114.6 54.9 -50.4 -40.9 53.0 -46.4 -73.1 29 29 A E G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -5,-0.1 3,-0.1 0.276 77.5 87.0 -88.5 6.8 53.1 -45.3 -76.8 30 30 A S G < S- 0 0 31 -3,-1.7 -1,-0.3 1,-0.4 19,-0.2 0.339 117.6 -86.7 -78.5 6.3 50.7 -42.4 -76.5 31 31 A G < - 0 0 11 -3,-0.7 -6,-0.4 17,-0.2 -1,-0.4 -0.185 56.1-149.8 102.5 159.6 53.9 -40.7 -75.6 32 32 A F E - C 0 47A 18 15,-2.5 15,-1.0 -3,-0.1 2,-0.4 -0.994 12.6-124.4-160.0 169.6 55.6 -40.5 -72.2 33 33 A V E -BC 23 46A 57 -10,-2.5 -10,-2.5 -2,-0.3 2,-0.4 -0.956 25.7-155.5-121.4 142.2 57.8 -38.6 -69.6 34 34 A I E -BC 22 45A 3 11,-2.6 11,-2.0 -2,-0.4 2,-0.4 -0.914 10.5-173.3-128.1 144.2 60.9 -40.0 -67.9 35 35 A T E -BC 21 44A 22 -14,-1.9 -14,-2.1 -2,-0.4 2,-0.5 -0.977 2.0-174.2-140.7 131.1 62.9 -39.4 -64.7 36 36 A L E +BC 20 43A 3 7,-1.6 7,-2.6 -2,-0.4 2,-0.3 -0.972 12.2 175.8-127.8 121.2 66.1 -40.7 -63.4 37 37 A T E -BC 19 42A 15 -18,-1.9 -18,-2.6 -2,-0.5 5,-0.2 -0.858 28.9-161.3-122.5 158.7 67.5 -40.0 -59.9 38 38 A D - 0 0 19 3,-1.7 226,-0.2 -2,-0.3 4,-0.1 0.583 63.9 -93.0-106.4 -17.6 70.5 -41.0 -57.8 39 39 A G S S+ 0 0 1 2,-0.7 84,-0.1 224,-0.1 3,-0.1 -0.451 120.0 40.9 135.4 -53.7 69.0 -40.0 -54.4 40 40 A H S S+ 0 0 60 1,-0.1 83,-0.2 79,-0.0 2,-0.1 0.962 115.1 35.5 -78.6 -81.0 70.5 -36.5 -54.4 41 41 A S - 0 0 46 78,-0.1 -3,-1.7 77,-0.0 -2,-0.7 -0.407 69.2-151.6 -80.5 155.2 70.3 -35.1 -58.0 42 42 A A E -C 37 0A 1 74,-0.2 74,-1.0 -5,-0.2 2,-0.2 -0.977 9.1-171.5-141.7 132.7 67.4 -35.6 -60.5 43 43 A W E +CD 36 115A 4 -7,-2.6 -7,-1.6 -2,-0.4 2,-0.3 -0.687 7.7 176.0-117.0 160.2 67.1 -35.7 -64.3 44 44 A T E -CD 35 114A 35 70,-2.4 70,-1.6 -9,-0.2 2,-0.3 -0.969 5.5-177.0-168.4 147.6 64.1 -35.8 -66.7 45 45 A G E -C 34 0A 9 -11,-2.0 -11,-2.6 -2,-0.3 2,-0.2 -0.959 23.4-115.1-147.9 163.3 63.1 -35.8 -70.4 46 46 A T E -C 33 0A 106 66,-0.4 -13,-0.2 -2,-0.3 2,-0.2 -0.555 19.1-169.7 -94.4 157.3 60.2 -35.8 -72.8 47 47 A V E -C 32 0A 7 -15,-1.0 -15,-2.5 -2,-0.2 5,-0.0 -0.639 9.1-157.6-152.0 96.4 59.4 -38.5 -75.4 48 48 A S - 0 0 55 -17,-0.2 4,-0.3 -2,-0.2 -17,-0.2 0.113 29.5-117.1 -59.7 178.5 56.7 -38.0 -78.1 49 49 A E S >> S+ 0 0 83 -19,-0.2 4,-2.4 2,-0.2 3,-0.6 0.779 116.5 61.3 -83.5 -37.4 54.8 -40.7 -79.9 50 50 A S H 3> S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.946 99.9 51.3 -48.8 -54.4 56.4 -39.4 -83.0 51 51 A E H 3> S+ 0 0 86 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.719 111.7 49.7 -63.4 -20.1 60.0 -40.1 -81.7 52 52 A I H <> S+ 0 0 26 -3,-0.6 4,-2.2 -4,-0.3 -1,-0.2 0.824 108.0 49.4 -86.5 -42.1 58.9 -43.8 -80.9 53 53 A S H X S+ 0 0 43 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.980 115.1 49.2 -56.7 -48.0 57.3 -44.4 -84.3 54 54 A Q H X S+ 0 0 105 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.743 108.8 49.6 -57.6 -35.0 60.8 -43.0 -85.6 55 55 A E H X S+ 0 0 39 -4,-0.7 4,-0.9 -5,-0.2 -1,-0.2 0.862 110.1 52.4 -74.5 -33.1 62.8 -45.3 -83.3 56 56 A A H X>S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 5,-1.3 0.836 114.3 41.8 -67.9 -36.9 60.7 -48.3 -84.6 57 57 A D H <5S+ 0 0 133 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.716 112.9 55.3 -72.8 -32.8 61.5 -47.3 -88.3 58 58 A D H <5S+ 0 0 102 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.604 116.6 36.0 -77.2 -17.5 65.2 -46.5 -87.4 59 59 A M H <5S- 0 0 51 -4,-0.9 -2,-0.2 2,-0.2 -3,-0.2 0.843 109.6-123.0 -93.6 -59.0 65.6 -50.0 -85.9 60 60 A A T <5 + 0 0 85 -4,-1.8 2,-0.2 1,-0.4 -3,-0.2 0.508 67.9 112.8 128.3 24.0 63.4 -51.8 -88.5 61 61 A M S - 0 0 139 -2,-0.2 4,-1.5 1,-0.1 3,-0.3 -0.058 36.6-113.2 -55.5 164.7 57.1 -53.0 -86.1 63 63 A K H > S+ 0 0 66 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.790 124.3 48.7 -64.4 -25.9 55.6 -50.2 -84.0 64 64 A G H > S+ 0 0 50 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.541 108.0 51.5 -94.0 -10.5 54.4 -53.1 -81.9 65 65 A K H > S+ 0 0 124 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 111.5 45.1 -84.9 -68.1 57.7 -55.0 -81.7 66 66 A Y H X S+ 0 0 10 -4,-1.5 4,-2.2 1,-0.2 5,-0.2 0.814 110.9 60.0 -38.7 -38.4 59.7 -52.1 -80.5 67 67 A V H X S+ 0 0 24 -4,-0.7 4,-1.7 2,-0.2 3,-0.3 0.981 103.0 45.7 -62.3 -63.5 56.7 -51.4 -78.1 68 68 A G H X S+ 0 0 24 -4,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.853 109.3 63.7 -43.0 -38.0 56.9 -54.8 -76.2 69 69 A E H >X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 3,-1.0 0.967 108.0 34.5 -53.9 -56.0 60.5 -54.0 -76.2 70 70 A L H 3X>S+ 0 0 19 -4,-2.2 5,-1.2 1,-0.3 4,-0.7 0.696 108.8 70.0 -77.1 -8.3 60.3 -50.9 -74.0 71 71 A R H 3<5S+ 0 0 103 -4,-1.7 6,-0.3 -5,-0.2 -1,-0.3 0.819 118.9 19.0 -71.9 -32.0 57.4 -52.6 -72.2 72 72 A K H <<>S+ 0 0 76 -4,-1.3 5,-1.0 -3,-1.0 6,-0.9 0.868 119.6 55.0-104.1 -60.5 60.1 -54.9 -70.9 73 73 A A H <5S+ 0 0 6 -4,-2.3 -3,-0.2 4,-0.2 3,-0.1 0.823 128.5 21.9 -37.4 -38.0 63.6 -53.3 -71.1 74 74 A L T <5S+ 0 0 13 -4,-0.7 2,-2.0 -5,-0.4 -3,-0.2 0.911 113.9 55.0-103.7 -63.6 62.1 -50.3 -69.2 75 75 A L T > - 0 0 46 5,-0.8 4,-2.9 -2,-0.3 3,-1.6 -0.974 14.8-153.7-134.6 124.3 76.4 -39.5 -68.3 90 90 A K T 34 S+ 0 0 53 -2,-0.4 25,-0.1 1,-0.3 5,-0.0 0.340 98.3 62.2 -81.5 5.4 75.6 -36.3 -66.4 91 91 A E T 34 S+ 0 0 178 3,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.288 116.6 34.3 -96.8 2.0 78.2 -34.5 -68.5 92 92 A S T <4 S- 0 0 60 -3,-1.6 -2,-0.2 2,-0.1 3,-0.1 0.700 77.8-157.5-121.6 -49.7 75.9 -35.5 -71.4 93 93 A C < + 0 0 30 -4,-2.9 20,-3.0 1,-0.3 2,-0.5 0.334 59.3 125.8 72.6 -9.4 72.4 -35.4 -70.1 94 94 A Y E - G 0 112B 82 -5,-0.4 -5,-0.8 18,-0.2 2,-0.5 -0.699 49.0-159.4 -82.1 126.6 72.0 -37.7 -73.0 95 95 A F E +FG 88 111B 4 16,-2.5 16,-2.2 -2,-0.5 2,-0.4 -0.946 16.6 168.3-110.5 130.2 70.5 -41.0 -71.9 96 96 A F E -FG 87 110B 56 -9,-2.6 -9,-0.9 -2,-0.5 2,-0.6 -0.991 20.2-151.0-142.2 130.4 70.8 -44.1 -73.9 97 97 A F E -FG 86 109B 2 12,-0.5 12,-2.6 -2,-0.4 2,-0.8 -0.907 7.5-149.8-110.5 123.4 70.1 -47.6 -73.0 98 98 A E E -FG 85 108B 56 -13,-1.6 -13,-2.2 -2,-0.6 10,-0.1 -0.764 10.7-152.2 -89.1 98.9 72.0 -50.5 -74.5 99 99 A K E -FG 84 107B 25 8,-1.0 8,-2.1 -2,-0.8 7,-0.6 -0.510 16.2-170.5 -67.4 152.6 69.9 -53.7 -74.9 100 100 A N E +F 83 0B 27 -17,-1.2 -17,-1.3 6,-0.2 3,-0.1 -0.974 28.0 154.3-148.1 141.6 72.0 -56.8 -74.7 101 101 A L S S- 0 0 80 1,-0.6 2,-0.1 -2,-0.3 -19,-0.1 -0.055 75.4 -3.9-165.1 33.9 70.9 -60.3 -75.5 102 102 A K S S- 0 0 167 -19,-0.1 -1,-0.6 0, 0.0 2,-0.5 -0.382 108.5 -17.8 135.9 146.4 74.2 -62.0 -76.6 103 103 A D S S+ 0 0 153 1,-0.2 -3,-0.0 -2,-0.1 0, 0.0 -0.295 115.3 7.4 -53.9 100.4 77.9 -60.9 -77.2 104 104 A V S S- 0 0 110 -2,-0.5 -1,-0.2 0, 0.0 -4,-0.1 0.550 85.7 -78.0-158.1 150.4 77.7 -58.2 -77.5 105 105 A S + 0 0 54 -7,-0.1 -5,-0.2 1,-0.0 -4,-0.1 0.373 22.4 173.6 64.0 169.7 75.6 -55.1 -77.3 106 106 A F - 0 0 124 -7,-0.6 2,-0.4 -6,-0.1 -6,-0.2 -0.005 25.0-154.0-169.2 -64.6 73.0 -53.6 -79.6 107 107 A R E -G 99 0B 82 -8,-2.1 -8,-1.0 -22,-0.0 -9,-0.1 -0.889 20.1-179.8 103.1-144.3 71.4 -50.6 -77.9 108 108 A L E +G 98 0B 4 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.2 -0.394 55.6 80.4 132.6 -53.8 67.8 -49.3 -78.7 109 109 A G E +G 97 0B 4 -12,-2.6 -12,-0.5 2,-0.0 2,-0.1 -0.702 40.0 144.5-104.6 134.0 67.4 -46.2 -76.4 110 110 A S E +G 96 0B 27 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.474 11.9 133.6-173.3 98.9 68.5 -42.6 -76.8 111 111 A F E -G 95 0B 34 -16,-2.2 -16,-2.5 -2,-0.1 2,-0.6 -0.973 54.8 -85.5-149.5 154.0 67.0 -39.2 -75.8 112 112 A N E -G 94 0B 108 -2,-0.3 2,-0.8 -18,-0.2 -66,-0.4 -0.399 34.4-168.9 -68.0 103.9 67.9 -35.9 -74.1 113 113 A L - 0 0 3 -20,-3.0 2,-0.3 -2,-0.6 -68,-0.2 -0.882 7.8-164.2 -93.8 112.4 67.6 -35.9 -70.3 114 114 A E E -D 44 0A 149 -70,-1.6 -70,-2.4 -2,-0.8 2,-0.6 -0.764 25.4-108.1 -90.3 146.1 67.9 -32.4 -69.0 115 115 A K E -D 43 0A 108 -2,-0.3 -72,-0.3 -72,-0.2 -70,-0.0 -0.677 23.5-139.0 -91.1 108.5 68.5 -32.0 -65.1 116 116 A V - 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0 0 142 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.671 35.9-113.2 -94.9 149.0 113.2 -31.4 -4.8 1402 183 H P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.913 61.1 -85.6 -41.7 -88.5 111.9 -35.0 -4.1 1403 184 H F + 0 0 61 -3,-0.1 2,-0.3 -23,-0.0 4,-0.0 -0.784 41.9 179.8 175.9 141.2 108.2 -34.4 -3.6 1404 185 H E > - 0 0 108 -2,-0.2 4,-0.9 1,-0.1 5,-0.1 -0.803 8.4-178.0-154.8 118.3 105.7 -33.5 -1.0 1405 186 H E H > S+ 0 0 85 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.943 88.4 48.8 -77.0 -51.4 101.9 -33.1 -1.4 1406 187 H N H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.943 113.2 47.5 -52.7 -53.7 101.1 -32.0 2.2 1407 188 H S H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.795 110.6 53.3 -60.4 -31.8 103.8 -29.3 2.1 1408 189 H F H X S+ 0 0 19 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.916 108.6 49.2 -68.5 -45.0 102.6 -28.1 -1.3 1409 190 H L H X S+ 0 0 83 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.857 116.4 43.0 -61.9 -38.6 99.1 -27.7 -0.0 1410 191 H E H X S+ 0 0 100 -4,-2.2 4,-1.1 2,-0.2 5,-0.3 0.957 114.0 46.3 -74.9 -51.7 100.3 -25.7 3.0 1411 192 H Q H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.821 117.2 48.5 -59.5 -29.6 102.9 -23.5 1.4 1412 193 H F H X>S+ 0 0 2 -4,-1.7 5,-2.4 -5,-0.2 4,-1.3 0.805 108.5 53.4 -76.3 -32.3 100.2 -22.9 -1.3 1413 194 H M H <5S+ 0 0 53 -4,-1.1 -2,-0.2 3,-0.2 -1,-0.2 0.522 121.3 29.5 -85.6 -6.2 97.5 -22.2 1.4 1414 195 H I H <5S+ 0 0 139 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.592 131.8 33.1-116.5 -25.4 99.6 -19.5 3.1 1415 196 H E H <5S+ 0 0 133 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.505 133.9 17.8-109.3 -7.8 101.7 -18.1 0.2 1416 197 H K T <5S+ 0 0 86 -4,-1.3 3,-0.4 -5,-0.1 -3,-0.2 0.606 104.4 74.2-137.2 -35.2 99.2 -18.5 -2.7 1417 198 H L S + 0 0 19 -2,-0.6 3,-0.8 1,-0.2 2,-0.5 0.979 35.7 138.7 -50.2 -83.7 86.4 -12.8 -6.9 1424 205 H G T 3 S- 0 0 50 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 -0.607 81.6 -18.6 73.2-122.2 86.9 -9.3 -8.1 1425 206 H D T 3 S- 0 0 61 -2,-0.5 -1,-0.2 -178,-0.0 -2,-0.1 0.010 90.8-101.8-111.2 23.5 85.0 -8.6 -11.3 1426 207 H G S <> S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.1 3,-0.4 0.589 95.6 117.5 66.0 9.4 84.5 -12.2 -12.4 1427 208 H K H > + 0 0 73 -4,-0.2 4,-1.0 1,-0.2 5,-0.1 0.927 64.0 54.4 -76.8 -47.6 87.4 -11.5 -14.8 1428 209 H P H 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.554 111.2 55.2 -63.2 -3.5 90.0 -14.0 -13.5 1429 210 H F H >> S+ 0 0 14 -3,-0.4 4,-2.6 -6,-0.2 3,-2.0 0.921 105.0 41.5 -91.0 -63.6 87.1 -16.5 -14.0 1430 211 H V H 3< S+ 0 0 26 -4,-1.6 -3,-0.1 1,-0.3 4,-0.1 0.580 116.3 55.0 -65.1 -8.5 86.0 -16.2 -17.7 1431 212 H M T 3< S+ 0 0 122 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.1 0.434 121.6 20.8-104.6 -2.3 89.7 -15.9 -18.6 1432 213 H N T <4 S+ 0 0 68 -3,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.628 127.6 32.9-132.7 -36.3 90.9 -19.1 -17.0 1433 214 H L S X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.1 -3,-0.2 0.193 78.0 108.6-117.4 15.2 88.2 -21.6 -16.4 1434 215 H Q H > S+ 0 0 27 -5,-0.3 4,-2.5 1,-0.2 5,-0.3 0.967 78.5 52.5 -57.1 -56.8 85.7 -21.1 -19.2 1435 216 H D H > S+ 0 0 121 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.854 111.6 47.9 -48.9 -42.3 86.5 -24.4 -21.1 1436 217 H L H > S+ 0 0 19 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.917 108.3 54.4 -66.7 -44.5 85.9 -26.4 -17.9 1437 218 H Y H >X S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.2 4,-1.0 0.964 112.8 42.4 -51.8 -56.7 82.6 -24.6 -17.1 1438 219 H M H >X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.3 3,-0.8 0.897 109.9 57.0 -58.9 -42.3 81.2 -25.5 -20.5 1439 220 H A H 3X S+ 0 0 28 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.732 112.0 43.7 -61.3 -21.4 82.6 -29.0 -20.3 1440 221 H V H << S+ 0 0 18 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.558 111.8 52.6 -99.9 -12.2 80.6 -29.4 -17.1 1441 222 H T H << S+ 0 0 17 -4,-1.0 -207,-0.2 -3,-0.8 -2,-0.2 0.713 111.8 43.8 -94.4 -24.9 77.4 -27.7 -18.4 1442 223 H T H < 0 0 89 -4,-2.0 -3,-0.1 -5,-0.2 -2,-0.1 0.855 360.0 360.0 -85.5 -40.2 77.1 -29.9 -21.5 1443 224 H Q < 0 0 104 -4,-0.7 -3,-0.1 -5,-0.3 -248,-0.0 0.206 360.0 360.0 -66.2 360.0 77.9 -33.2 -19.8