==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-NOV-08 3F81 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN PHOSPHATASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WU,T.MUTELIN,L.TAUTZ . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.4 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 0 2 0 2 0 2 0 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 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 . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 7 A L > 0 0 160 0, 0.0 4,-1.7 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.6 -21.1 2.7 4.8 2 8 A S H > + 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.824 360.0 56.5 -71.1 -38.1 -17.8 3.0 6.5 3 9 A V H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.903 107.3 50.8 -61.8 -42.4 -15.6 2.3 3.5 4 10 A Q H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.889 108.8 52.2 -60.9 -41.7 -17.3 5.2 1.6 5 11 A D H X S+ 0 0 69 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.891 110.2 47.5 -58.7 -44.1 -16.6 7.4 4.6 6 12 A L H X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 3,-0.5 0.939 111.2 51.7 -62.9 -46.1 -12.9 6.5 4.6 7 13 A N H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 3,-0.4 0.873 103.7 57.8 -55.3 -41.4 -12.8 7.1 0.8 8 14 A D H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 104.6 52.0 -58.9 -36.8 -14.3 10.5 1.2 9 15 A L H < S+ 0 0 91 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.800 115.2 42.1 -67.0 -30.8 -11.4 11.4 3.5 10 16 A L H < S+ 0 0 2 -4,-1.2 8,-0.4 -3,-0.4 -2,-0.2 0.776 95.5 91.6 -89.7 -30.0 -8.9 10.3 0.9 11 17 A S < - 0 0 37 -4,-2.2 6,-0.2 6,-0.1 144,-0.0 -0.158 69.8-132.2 -78.1 162.3 -10.3 11.7 -2.4 12 18 A D - 0 0 80 4,-2.9 5,-0.1 0, 0.0 -1,-0.1 0.323 50.1-104.8 -95.5 3.5 -9.7 15.1 -4.1 13 19 A G S S+ 0 0 74 3,-0.4 4,-0.1 -5,-0.1 -2,-0.0 0.305 109.5 82.9 91.8 -10.6 -13.3 16.0 -4.7 14 20 A S S S- 0 0 85 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 0.234 118.7 -92.4-104.7 12.2 -13.2 15.2 -8.4 15 21 A G S S+ 0 0 67 1,-0.3 2,-0.2 0, 0.0 -4,-0.0 0.571 98.4 103.7 82.1 14.6 -13.7 11.4 -7.9 16 22 A C - 0 0 65 -6,-0.0 -4,-2.9 0, 0.0 2,-0.4 -0.716 63.5-134.0-126.3 173.0 -9.9 10.9 -7.9 17 23 A Y - 0 0 83 -6,-0.2 -6,-0.1 -2,-0.2 138,-0.1 -0.998 27.9-116.9-134.8 124.3 -7.1 10.3 -5.3 18 24 A S - 0 0 52 -8,-0.4 3,-0.1 -2,-0.4 0, 0.0 -0.254 29.8-130.5 -61.2 146.7 -3.8 12.1 -5.4 19 25 A L - 0 0 124 1,-0.1 134,-0.1 134,-0.0 135,-0.1 -0.660 40.8 -70.8 -95.4 160.8 -0.7 10.0 -6.0 20 26 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 134,-0.0 -0.212 36.6-160.8 -51.3 129.7 2.5 10.0 -3.8 21 27 A S S S+ 0 0 85 1,-0.1 131,-0.0 -3,-0.1 -2,-0.0 0.516 77.9 31.6 -91.2 -9.1 4.4 13.2 -4.4 22 28 A Q S S- 0 0 108 131,-0.1 131,-0.1 1,-0.0 3,-0.1 -0.964 80.9-120.6-141.2 156.7 7.6 11.7 -3.0 23 29 A P S S+ 0 0 64 0, 0.0 12,-1.8 0, 0.0 2,-0.3 0.762 97.0 18.9 -69.6 -24.0 9.1 8.2 -3.0 24 30 A C E -A 34 0A 13 10,-0.2 2,-0.3 14,-0.1 10,-0.2 -0.998 62.2-178.7-149.0 141.0 9.2 8.0 0.8 25 31 A N E -A 33 0A 24 8,-2.1 8,-2.6 -2,-0.3 2,-0.8 -0.998 32.3-125.9-137.2 145.6 7.6 9.8 3.8 26 32 A E E -A 32 0A 87 -2,-0.3 6,-0.3 6,-0.2 89,-0.1 -0.814 32.7-178.4 -83.1 109.9 7.8 9.5 7.6 27 33 A V E - 0 0 1 4,-2.2 124,-0.2 -2,-0.8 -1,-0.2 0.807 67.7 -0.1 -88.1 -31.6 4.1 9.0 8.2 28 34 A T E > S-A 31 0A 15 3,-1.2 3,-2.5 -3,-0.1 -1,-0.3 -0.909 113.2 -54.6-147.8 161.0 4.4 8.8 12.0 29 35 A P T 3 S- 0 0 98 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.196 123.3 -6.4 -53.4 125.8 7.5 9.1 14.1 30 36 A R T 3 S+ 0 0 27 1,-0.1 84,-2.4 83,-0.1 2,-0.5 0.454 110.1 107.0 67.0 12.0 10.1 6.5 13.0 31 37 A I E < -Ab 28 114A 0 -3,-2.5 -4,-2.2 82,-0.2 -3,-1.2 -0.977 48.4-172.6-119.3 122.2 7.7 4.8 10.5 32 38 A Y E -Ab 26 115A 17 82,-2.9 84,-3.2 -2,-0.5 2,-0.4 -0.891 9.6-160.8-113.9 140.6 8.3 5.4 6.8 33 39 A V E +Ab 25 116A 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.982 29.8 144.0-119.8 133.1 6.1 4.4 4.0 34 40 A G E -Ab 24 117A 0 82,-1.0 84,-1.6 -2,-0.4 87,-0.3 -0.888 38.6 -91.3-158.5-175.2 7.6 4.2 0.5 35 41 A N > - 0 0 28 -12,-1.8 4,-1.6 -2,-0.3 85,-0.3 -0.215 47.0 -88.3-103.4-172.6 7.9 2.7 -3.0 36 42 A A H > S+ 0 0 10 83,-2.2 4,-1.2 1,-0.2 84,-0.1 0.794 119.5 56.8 -69.2 -30.1 10.0 0.0 -4.7 37 43 A S H 4 S+ 0 0 71 82,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.912 108.0 45.4 -73.9 -39.2 12.7 2.4 -5.7 38 44 A V H >4 S+ 0 0 2 1,-0.2 3,-1.6 -15,-0.2 7,-0.2 0.900 109.5 56.0 -70.6 -36.6 13.5 3.6 -2.2 39 45 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.8 47.9 -59.3 -33.6 13.4 -0.0 -0.8 40 46 A Q T 3< S+ 0 0 95 -4,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.289 92.6 85.0 -94.5 10.9 16.1 -0.8 -3.4 41 47 A D <> + 0 0 66 -3,-1.6 4,-2.1 1,-0.2 3,-0.2 -0.758 52.7 176.1-114.6 81.6 18.3 2.1 -2.5 42 48 A I H > S+ 0 0 33 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.902 77.1 54.0 -60.7 -44.0 20.4 0.9 0.4 43 49 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.918 109.5 49.2 -57.0 -39.9 22.5 4.0 0.7 44 50 A K H > S+ 0 0 84 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.912 110.1 51.7 -60.1 -42.5 19.4 6.2 1.0 45 51 A L H X>S+ 0 0 0 -4,-2.1 5,-2.6 -7,-0.2 4,-0.6 0.906 109.4 49.8 -59.4 -43.6 18.0 3.8 3.6 46 52 A Q H ><5S+ 0 0 90 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.907 108.4 51.7 -63.8 -43.6 21.2 4.1 5.6 47 53 A K H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.4 50.9 -61.7 -34.6 21.2 7.9 5.5 48 54 A L H 3<5S- 0 0 48 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.639 116.2-120.3 -74.6 -16.2 17.6 7.9 6.8 49 55 A G T <<5 + 0 0 33 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.721 46.8 175.1 77.4 26.7 18.8 5.5 9.6 50 56 A I < + 0 0 9 -5,-2.6 -1,-0.2 1,-0.2 64,-0.2 -0.469 14.9 172.3 -67.1 127.9 16.4 2.7 8.6 51 57 A T + 0 0 33 62,-2.7 27,-2.8 -2,-0.3 2,-0.4 0.619 64.8 36.9-106.0 -21.5 17.0 -0.4 10.7 52 58 A H E -cd 78 114A 29 61,-1.9 63,-2.6 25,-0.2 2,-0.4 -0.992 59.1-164.6-139.9 140.0 14.1 -2.6 9.5 53 59 A V E -cd 79 115A 0 25,-2.7 27,-2.3 -2,-0.4 2,-0.6 -0.993 1.3-168.0-131.4 122.7 12.3 -3.1 6.2 54 60 A L E -cd 80 116A 0 61,-2.8 63,-2.3 -2,-0.4 2,-0.9 -0.965 11.1-157.2-106.1 106.8 8.9 -4.7 5.8 55 61 A N E > +cd 81 117A 0 25,-2.8 27,-3.2 -2,-0.6 3,-0.7 -0.822 13.5 179.4 -86.8 105.1 8.3 -5.5 2.1 56 62 A A T 3 S+ 0 0 0 61,-2.9 28,-0.3 -2,-0.9 62,-0.2 0.225 79.7 50.0 -91.8 11.4 4.5 -5.7 1.8 57 63 A A T 3 S+ 0 0 0 60,-0.2 8,-2.9 61,-0.1 -1,-0.2 -0.103 75.6 162.3-134.1 36.3 4.7 -6.4 -2.0 58 64 A E B < +e 65 0B 24 24,-1.9 2,-0.3 -3,-0.7 8,-0.2 -0.320 31.2 77.8 -66.1 134.3 7.3 -9.3 -2.0 59 65 A G S S- 0 0 12 6,-1.2 8,-0.1 8,-0.2 -2,-0.1 -0.952 80.4 -83.2 155.2-171.9 7.3 -11.2 -5.2 60 66 A R S S+ 0 0 233 -2,-0.3 6,-0.1 6,-0.1 -1,-0.1 0.443 81.4 95.3-113.5 -3.7 8.2 -11.6 -8.9 61 67 A S S > S- 0 0 55 1,-0.1 3,-2.1 4,-0.1 5,-0.1 -0.328 87.7-101.6 -86.9 170.6 5.5 -9.6 -10.9 62 68 A F T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.573 126.2 53.6 -65.0 -9.4 5.5 -6.0 -12.2 63 69 A M T 3 S+ 0 0 67 2,-0.0 56,-0.3 57,-0.0 -1,-0.3 0.267 105.6 67.6-104.7 10.2 3.2 -5.3 -9.2 64 70 A H S < S- 0 0 23 -3,-2.1 2,-0.5 55,-0.1 -6,-0.2 -0.723 78.6-122.4-122.7 171.5 5.7 -6.8 -6.7 65 71 A V B -e 58 0B 1 -8,-2.9 2,-1.7 -2,-0.2 -6,-1.2 -0.979 19.2-148.1-119.9 114.5 9.2 -5.9 -5.3 66 72 A N + 0 0 104 -2,-0.5 2,-0.2 -8,-0.2 -8,-0.1 -0.344 51.8 125.5 -85.9 53.9 11.6 -8.8 -5.9 67 73 A T + 0 0 4 -2,-1.7 2,-0.3 -8,-0.1 -8,-0.2 -0.531 31.2 176.3-102.5 177.1 13.8 -8.3 -2.8 68 74 A N > - 0 0 75 -2,-0.2 4,-0.8 -10,-0.1 3,-0.5 -0.914 49.6 -78.4-167.6 175.4 14.7 -10.8 -0.1 69 75 A A T >4 S+ 0 0 60 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 0.899 124.8 58.3 -58.2 -43.8 16.9 -11.1 3.0 70 76 A N G >4 S+ 0 0 111 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.802 94.9 63.7 -59.9 -33.1 20.0 -11.6 1.0 71 77 A F G 34 S+ 0 0 75 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.858 111.6 38.4 -56.8 -34.7 19.5 -8.2 -0.8 72 78 A Y G XX>S+ 0 0 3 -3,-1.1 3,-2.1 -4,-0.8 5,-0.7 0.381 85.0 133.9 -98.0 3.7 20.0 -6.6 2.7 73 79 A K T <45S+ 0 0 127 -3,-1.0 -3,-0.1 -4,-0.3 5,-0.1 -0.325 80.9 4.5 -61.3 130.9 22.7 -9.0 3.9 74 80 A D T 345S+ 0 0 164 1,-0.1 -1,-0.3 3,-0.1 -4,-0.0 0.643 103.4 98.2 65.3 18.8 25.6 -7.0 5.6 75 81 A S T <45S- 0 0 22 -3,-2.1 -2,-0.2 2,-0.2 3,-0.1 0.517 93.6-127.0 -93.6 -15.3 23.7 -3.7 5.2 76 82 A G T <5 + 0 0 69 -4,-0.5 2,-0.4 1,-0.3 -3,-0.1 0.512 66.9 132.6 78.7 7.6 22.7 -4.3 8.8 77 83 A I < - 0 0 14 -5,-0.7 2,-0.4 -25,-0.0 -1,-0.3 -0.790 55.2-133.4 -94.2 134.1 19.0 -3.8 8.0 78 84 A T E -c 52 0A 69 -27,-2.8 -25,-2.7 -2,-0.4 2,-0.3 -0.771 27.5-155.4 -89.5 129.3 16.6 -6.5 9.3 79 85 A Y E +c 53 0A 37 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.835 22.3 173.0-115.0 138.5 14.1 -7.7 6.6 80 86 A L E -c 54 0A 60 -27,-2.3 -25,-2.8 -2,-0.3 2,-0.4 -0.989 15.7-156.4-133.9 139.3 10.7 -9.3 6.5 81 87 A G E -c 55 0A 22 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.892 9.8-171.1-114.3 144.4 8.6 -10.0 3.3 82 88 A I - 0 0 6 -27,-3.2 -24,-1.9 -2,-0.4 2,-1.9 -0.990 19.9-144.3-129.5 118.4 4.9 -10.4 2.9 83 89 A K + 0 0 127 -2,-0.4 2,-0.2 -26,-0.2 -26,-0.1 -0.469 39.9 163.9 -84.4 67.0 3.8 -11.6 -0.6 84 90 A A - 0 0 0 -2,-1.9 2,-0.4 -28,-0.3 -2,-0.1 -0.600 30.8-145.3 -89.5 145.2 0.6 -9.5 -0.8 85 91 A N - 0 0 68 -2,-0.2 2,-1.9 2,-0.1 5,-0.2 -0.893 22.2-123.2-100.4 142.0 -1.4 -8.7 -3.9 86 92 A D + 0 0 68 -2,-0.4 2,-0.3 -23,-0.1 -29,-0.0 -0.516 69.7 118.4 -82.8 71.8 -3.1 -5.3 -4.2 87 93 A T S > S- 0 0 54 -2,-1.9 3,-1.4 70,-0.1 -2,-0.1 -0.969 75.7-119.8-135.0 155.8 -6.7 -6.7 -4.7 88 94 A Q T 3 S+ 0 0 110 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.703 114.8 56.7 -64.3 -19.7 -9.9 -6.5 -2.8 89 95 A E T 3 S+ 0 0 159 2,-0.1 2,-0.4 3,-0.0 -1,-0.3 0.657 79.8 102.4 -84.9 -20.0 -9.7 -10.3 -2.5 90 96 A F S < S- 0 0 38 -3,-1.4 2,-1.9 -5,-0.2 3,-0.2 -0.540 71.1-137.3 -75.8 124.8 -6.3 -10.5 -0.8 91 97 A N > + 0 0 87 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 -0.470 37.4 161.7 -80.9 72.4 -6.8 -11.2 2.9 92 98 A L G > + 0 0 0 -2,-1.9 3,-2.4 1,-0.3 4,-0.3 0.787 65.1 74.5 -62.9 -27.0 -4.1 -8.7 4.1 93 99 A S G > S+ 0 0 37 1,-0.3 3,-1.3 -3,-0.2 4,-0.5 0.771 80.7 69.8 -59.0 -27.1 -5.8 -8.8 7.6 94 100 A A G < S+ 0 0 50 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.718 104.4 44.6 -58.8 -17.3 -4.2 -12.3 8.1 95 101 A Y G <> S+ 0 0 58 -3,-2.4 4,-3.1 -4,-0.2 5,-0.3 0.369 82.7 97.3-107.0 -3.4 -0.9 -10.4 8.3 96 102 A F H <> S+ 0 0 11 -3,-1.3 4,-2.4 -4,-0.3 5,-0.2 0.910 90.1 41.8 -58.7 -43.3 -1.9 -7.5 10.6 97 103 A E H > S+ 0 0 95 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.941 114.5 50.6 -68.1 -50.3 -0.5 -9.2 13.7 98 104 A R H > S+ 0 0 152 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.926 115.8 43.8 -47.5 -54.1 2.7 -10.4 11.9 99 105 A A H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.900 112.5 50.1 -63.7 -44.3 3.3 -6.8 10.6 100 106 A A H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -1,-0.2 0.902 109.8 52.4 -64.2 -37.6 2.4 -5.0 13.9 101 107 A D H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.903 110.8 47.5 -64.3 -39.8 4.8 -7.4 15.7 102 108 A F H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.912 112.8 47.5 -66.7 -44.9 7.6 -6.5 13.2 103 109 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.935 114.7 47.4 -63.3 -41.9 6.9 -2.7 13.5 104 110 A D H X S+ 0 0 34 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.871 103.8 59.9 -71.6 -31.8 6.9 -3.1 17.2 105 111 A Q H X S+ 0 0 94 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.925 114.0 40.4 -50.5 -48.3 10.2 -5.2 17.1 106 112 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 6,-0.3 0.934 117.3 45.0 -67.6 -46.5 11.7 -2.1 15.4 107 113 A L H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.633 94.5 74.7 -82.6 -13.0 10.1 0.7 17.5 108 114 A A H 3< S+ 0 0 0 -4,-1.7 230,-2.1 -5,-0.2 2,-0.4 0.813 90.1 68.6 -80.7 -22.8 10.6 -0.9 20.9 109 115 A Q S X< S- 0 0 37 -3,-0.7 3,-1.7 -4,-0.5 228,-0.1 -0.802 88.9-134.5 -66.4 129.5 14.2 0.1 20.5 110 116 A K T 3 S+ 0 0 10 225,-0.5 87,-0.2 -2,-0.4 -1,-0.1 0.729 103.8 45.4 -67.7 -24.2 14.6 3.9 20.6 111 117 A N T 3 S+ 0 0 111 -5,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.435 87.2 118.6 -94.4 -3.0 16.9 4.1 17.6 112 118 A G < - 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0 0 4 -27,-2.9 -24,-2.1 -2,-0.3 2,-1.6 -0.995 22.2-138.0-129.3 124.3 25.0 -9.9 34.4 263 89 B K + 0 0 131 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.1 -0.641 45.4 162.8 -83.1 86.7 24.9 -11.5 30.9 264 90 B A - 0 0 0 -2,-1.6 2,-0.4 -26,-0.1 -2,-0.1 -0.837 31.7-149.0-112.9 146.8 22.1 -9.3 29.6 265 91 B N - 0 0 75 -2,-0.4 2,-1.9 2,-0.1 5,-0.2 -0.900 23.7-124.4-107.8 141.7 20.9 -8.6 26.1 266 92 B D S S+ 0 0 55 -2,-0.4 2,-0.3 -23,-0.2 -29,-0.0 -0.519 72.3 111.7 -83.3 72.7 19.3 -5.3 25.2 267 93 B T S > S- 0 0 28 -2,-1.9 3,-1.6 70,-0.1 -2,-0.1 -0.979 77.9-119.5-139.3 155.8 16.1 -6.8 23.8 268 94 B Q T 3 S+ 0 0 69 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.706 113.5 61.4 -66.4 -16.3 12.5 -6.8 24.9 269 95 B E T 3 S+ 0 0 148 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.610 82.3 96.9 -80.4 -13.8 12.7 -10.7 25.2 270 96 B F S < S- 0 0 34 -3,-1.6 2,-1.7 -5,-0.2 3,-0.2 -0.660 72.3-139.6 -85.1 129.6 15.5 -10.5 27.8 271 97 B N > + 0 0 86 -2,-0.4 3,-1.3 1,-0.2 4,-0.2 -0.497 36.1 160.1 -89.7 75.3 14.2 -10.9 31.3 272 98 B L G > + 0 0 0 -2,-1.7 3,-2.3 1,-0.3 4,-0.2 0.795 64.6 75.3 -64.2 -26.0 16.3 -8.3 33.1 273 99 B S G > S+ 0 0 40 1,-0.3 3,-1.7 -3,-0.2 4,-0.5 0.794 80.7 69.3 -56.9 -31.2 13.8 -8.2 36.0 274 100 B A G < S+ 0 0 72 -3,-1.3 -1,-0.3 1,-0.3 4,-0.3 0.722 103.8 45.1 -57.6 -22.3 15.1 -11.6 37.2 275 101 B Y G <> S+ 0 0 86 -3,-2.3 4,-2.7 -4,-0.2 -1,-0.3 0.362 82.4 99.2-103.1 2.2 18.2 -9.6 38.2 276 102 B F H <> S+ 0 0 10 -3,-1.7 4,-2.5 -4,-0.2 5,-0.2 0.921 87.4 43.6 -58.9 -45.4 16.6 -6.6 39.8 277 103 B E H > S+ 0 0 96 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.930 114.1 49.5 -66.7 -46.0 17.1 -7.9 43.4 278 104 B R H > S+ 0 0 99 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.906 113.7 46.7 -56.8 -45.4 20.7 -9.1 42.8 279 105 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.921 110.5 51.5 -64.9 -44.8 21.6 -5.7 41.2 280 106 B A H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.882 108.8 52.6 -60.5 -39.1 20.0 -3.7 44.1 281 107 B D H X S+ 0 0 65 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.889 109.5 48.6 -63.2 -41.7 21.9 -5.8 46.6 282 108 B F H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.919 111.2 49.5 -65.0 -44.0 25.2 -5.0 44.8 283 109 B I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.927 110.9 50.1 -60.3 -43.4 24.4 -1.2 44.7 284 110 B D H X S+ 0 0 56 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.871 109.8 51.5 -60.2 -40.0 23.6 -1.3 48.4 285 111 B Q H X S+ 0 0 101 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.923 110.5 48.5 -62.2 -46.5 26.9 -3.1 49.1 286 112 B A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.931 113.2 46.7 -57.8 -49.3 28.7 -0.4 47.1 287 113 B L H 3< S+ 0 0 29 -4,-2.7 5,-0.2 1,-0.2 -1,-0.2 0.780 104.8 60.8 -68.5 -26.9 27.0 2.4 49.0 288 114 B A H 3< S+ 0 0 78 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.779 87.2 90.0 -69.7 -27.3 27.6 0.7 52.4 289 115 B Q S X< S- 0 0 88 -4,-1.0 3,-2.7 -3,-0.7 2,-0.2 -0.534 95.9-107.6 -69.5 130.1 31.3 1.0 51.7 290 116 B K T 3 S+ 0 0 182 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 -0.452 107.3 4.0 -59.7 126.7 32.7 4.3 53.0 291 117 B N T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -2,-0.2 -4,-0.1 0.581 97.7 163.7 68.5 13.3 33.4 6.4 49.9 292 118 B G < - 0 0 0 -3,-2.7 2,-0.4 -5,-0.2 -1,-0.2 -0.370 15.7-176.4 -63.7 136.1 31.9 3.6 47.9 293 119 B R - 0 0 89 -64,-0.2 -62,-2.7 -3,-0.1 -61,-1.9 -0.979 8.8-155.4-137.5 125.5 30.9 4.6 44.3 294 120 B V E -gi 211 232C 0 -84,-2.1 -82,-3.2 -2,-0.4 2,-0.6 -0.840 5.6-158.6-105.1 131.2 29.2 2.2 41.9 295 121 B L E -gi 212 233C 0 -63,-2.7 -61,-3.0 -2,-0.4 2,-0.7 -0.963 6.7-168.5 -98.3 113.4 29.3 2.3 38.1 296 122 B V E +gi 213 234C 0 -84,-3.1 -82,-1.1 -2,-0.6 2,-0.3 -0.939 27.4 164.0 -96.8 116.8 26.4 0.4 36.6 297 123 B H E +gi 214 235C 0 -63,-2.4 -61,-2.9 -2,-0.7 -60,-0.2 -0.871 26.0 175.1-132.8 163.0 27.3 0.2 32.9 298 124 B C - 0 0 2 -84,-1.3 -79,-0.2 -2,-0.3 -61,-0.2 -0.435 62.7 -64.1-138.5-143.3 26.4 -1.6 29.7 299 125 B R S S+ 0 0 82 -56,-0.2 -83,-2.4 -84,-0.2 -82,-0.3 0.937 132.0 5.8 -79.1 -43.9 27.7 -1.0 26.2 300 126 B E S S- 0 0 90 -85,-0.3 -85,-0.2 -84,-0.1 -1,-0.1 0.509 91.0-121.9-114.7 -4.3 26.2 2.5 25.9 301 127 B G S S+ 0 0 0 -87,-0.2 -86,-0.1 -97,-0.0 -88,-0.0 0.827 88.2 103.7 64.4 32.0 24.8 3.3 29.4 302 128 B Y S S+ 0 0 19 32,-0.1 33,-2.9 33,-0.1 -87,-0.0 0.794 86.0 0.2-118.7 -41.3 21.5 3.7 27.5 303 129 B S S > S+ 0 0 5 31,-0.2 4,-1.2 33,-0.1 31,-0.0 0.754 125.1 38.3-122.5 -58.3 19.1 0.7 28.0 304 130 B R H > S+ 0 0 7 2,-0.2 4,-1.5 1,-0.1 3,-0.3 0.981 118.6 42.0 -68.4 -57.1 20.4 -2.2 30.2 305 131 B S H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.902 112.5 51.7 -63.7 -43.8 22.2 -0.3 33.0 306 132 B P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.848 104.5 59.2 -62.6 -29.7 19.7 2.5 33.5 307 133 B T H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.3 5,-0.2 0.943 105.8 48.9 -60.3 -42.8 16.9 -0.1 33.9 308 134 B L H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.895 111.4 48.0 -62.9 -43.1 18.8 -1.6 36.8 309 135 B V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.893 111.4 50.5 -67.4 -42.4 19.3 1.8 38.6 310 136 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.939 111.5 47.8 -58.8 -47.9 15.7 2.7 38.1 311 137 B A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.904 110.5 53.4 -61.2 -38.2 14.5 -0.6 39.6 312 138 B Y H X>S+ 0 0 2 -4,-2.3 4,-3.3 2,-0.2 5,-0.8 0.922 108.3 49.2 -58.3 -46.4 17.0 -0.0 42.5 313 139 B L H X5S+ 0 0 6 -4,-2.3 6,-1.6 1,-0.2 4,-1.1 0.896 114.2 46.2 -62.3 -38.7 15.5 3.4 43.2 314 140 B M H <5S+ 0 0 0 -4,-2.1 4,-0.5 4,-0.2 -2,-0.2 0.928 120.4 37.7 -69.3 -45.6 12.0 1.9 43.2 315 141 B M H <5S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.835 131.0 24.7 -78.9 -34.3 13.0 -1.1 45.4 316 142 B R H <5S+ 0 0 62 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.712 130.1 37.0-109.7 -25.9 15.4 0.5 47.9 317 143 B Q S < - 0 0 47 38,-0.4 4,-2.6 -2,-0.3 5,-0.2 -0.365 34.8-103.4 -63.5 160.0 7.4 5.0 42.0 321 147 B V H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.849 119.7 53.3 -57.8 -40.3 8.6 4.2 38.4 322 148 B K H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.943 114.0 42.1 -62.4 -44.6 7.8 7.6 37.0 323 149 B S H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.889 117.0 47.6 -67.9 -41.3 9.8 9.4 39.7 324 150 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.925 114.7 44.8 -66.5 -48.7 12.7 7.0 39.5 325 151 B L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.874 112.1 53.7 -62.1 -40.7 12.9 7.0 35.7 326 152 B S H X S+ 0 0 43 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.894 107.6 49.9 -65.0 -39.9 12.6 10.8 35.7 327 153 B I H X S+ 0 0 50 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.909 114.0 44.3 -67.7 -38.4 15.5 11.3 38.1 328 154 B V H >X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 3,-0.8 0.960 115.0 48.6 -68.1 -47.0 17.8 9.0 36.1 329 155 B R H 3< S+ 0 0 48 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.877 103.7 62.4 -59.8 -34.8 16.7 10.7 32.8 330 156 B Q H 3< S+ 0 0 157 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.887 113.8 34.2 -57.1 -36.2 17.3 14.1 34.3 331 157 B N H << S+ 0 0 68 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.511 128.3 21.1-102.2 -6.2 21.0 13.2 34.7 332 158 B R S < S- 0 0 2 -4,-1.2 2,-0.6 -3,-0.3 -1,-0.2 -0.944 78.2-111.6-158.3 138.7 21.7 11.0 31.6 333 159 B E + 0 0 34 -2,-0.3 2,-0.3 -134,-0.1 -4,-0.1 -0.630 54.5 164.5 -71.3 118.3 20.0 10.6 28.2 334 160 B I - 0 0 1 -2,-0.6 -31,-0.2 -144,-0.2 -136,-0.2 -0.872 28.9-176.6-136.5 159.1 18.6 7.0 28.5 335 161 B G - 0 0 3 -33,-2.9 -225,-0.5 -2,-0.3 -32,-0.1 -0.321 11.8-162.9-159.5 70.4 16.1 4.9 26.6 336 162 B P - 0 0 0 0, 0.0 -33,-0.1 0, 0.0 -32,-0.1 -0.273 37.1-102.5 -52.2 139.8 15.3 1.4 28.0 337 163 B N > - 0 0 2 1,-0.1 4,-2.2 -228,-0.1 3,-0.4 -0.219 35.7-100.5 -62.8 157.6 13.6 -0.7 25.3 338 164 B D H > S+ 0 0 25 -230,-2.1 4,-2.0 1,-0.2 -1,-0.1 0.743 121.7 57.6 -53.7 -28.0 9.9 -1.2 25.7 339 165 B G H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 107.3 46.3 -68.9 -48.2 10.3 -4.7 27.2 340 166 B F H > S+ 0 0 0 -3,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.882 112.0 52.3 -59.3 -40.5 12.5 -3.3 30.1 341 167 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.898 107.7 51.1 -62.2 -41.9 9.9 -0.5 30.6 342 168 B A H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.897 109.4 51.8 -61.1 -38.2 7.1 -3.1 30.8 343 169 B Q H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.870 109.2 49.5 -68.1 -35.3 9.2 -5.0 33.4 344 170 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.855 110.2 50.7 -68.3 -36.7 9.6 -1.8 35.4 345 171 B C H X S+ 0 0 14 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 109.9 49.9 -66.4 -41.5 5.8 -1.2 35.2 346 172 B Q H X S+ 0 0 127 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.894 110.7 50.4 -65.0 -38.0 5.2 -4.7 36.5 347 173 B L H X S+ 0 0 13 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.929 109.7 50.4 -62.5 -46.5 7.7 -4.0 39.3 348 174 B N H X S+ 0 0 30 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.904 107.4 54.2 -55.7 -47.9 5.8 -0.8 40.2 349 175 B D H X S+ 0 0 104 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.891 111.6 45.5 -50.6 -47.0 2.5 -2.7 40.2 350 176 B R H X S+ 0 0 95 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.944 112.1 48.2 -68.0 -48.0 4.0 -5.1 42.8 351 177 B L H X>S+ 0 0 5 -4,-2.8 5,-2.6 1,-0.2 4,-0.6 0.925 115.6 47.4 -57.6 -44.9 5.6 -2.5 45.0 352 178 B A H ><5S+ 0 0 56 -4,-2.9 3,-1.2 -5,-0.2 -2,-0.2 0.939 109.6 51.4 -56.9 -50.5 2.2 -0.7 44.9 353 179 B K H 3<5S+ 0 0 155 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.749 114.8 45.0 -66.4 -15.0 0.3 -3.9 45.6 354 180 B E H 3<5S- 0 0 85 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.465 112.0-118.3-100.9 -6.4 2.6 -4.4 48.7 355 181 B G T <<5S+ 0 0 66 -3,-1.2 -3,-0.2 -4,-0.6 -4,-0.1 0.735 73.3 129.2 75.4 26.5 2.5 -0.8 50.0 356 182 B K < + 0 0 92 -5,-2.6 2,-0.4 -6,-0.2 -4,-0.2 0.176 41.3 96.6 -99.5 17.2 6.2 -0.2 49.5 357 183 B L S S- 0 0 38 -6,-0.3 -38,-0.2 -5,-0.1 -39,-0.1 -0.892 70.1-125.6-111.5 138.8 6.1 3.1 47.6 358 184 B K 0 0 131 -40,-3.3 -38,-0.4 -2,-0.4 -2,-0.1 -0.596 360.0 360.0 -78.5 139.4 6.3 6.7 49.0 359 185 B P 0 0 183 0, 0.0 -1,-0.1 0, 0.0 -40,-0.0 0.624 360.0 360.0 -64.5 360.0 3.5 9.1 48.1