==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-03 1OEM . COMPND 2 MOLECULE: PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SALMEEN,J.N.ANDERSEN,M.P.MYERS,T.C.MENG,J.A.HINKS, . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 2 0.7 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 . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 0 0 0 1 0 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 2 1 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 E >> 0 0 97 0, 0.0 3,-1.6 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 164.4 68.9 19.1 22.2 2 3 X M H 3> + 0 0 17 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.595 360.0 79.7 -54.0 -15.1 67.2 17.5 19.2 3 4 X E H 3> S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.882 88.2 52.3 -60.8 -39.5 68.2 20.9 17.8 4 5 X K H <> S+ 0 0 138 -3,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.934 111.0 45.8 -61.3 -47.4 71.7 19.4 17.3 5 6 X E H X S+ 0 0 51 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.911 110.7 55.5 -57.9 -43.8 70.1 16.4 15.5 6 7 X F H X S+ 0 0 17 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.907 109.7 44.0 -55.7 -49.4 68.0 18.9 13.4 7 8 X E H X S+ 0 0 108 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.868 112.1 54.0 -68.6 -36.8 71.0 20.9 12.2 8 9 X Q H X S+ 0 0 115 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.870 110.8 45.0 -65.6 -39.1 72.9 17.7 11.4 9 10 X I H X>S+ 0 0 4 -4,-2.4 5,-2.1 2,-0.2 4,-0.6 0.890 113.7 50.7 -68.0 -40.3 70.0 16.3 9.3 10 11 X D H ><5S+ 0 0 61 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.917 109.3 52.1 -60.5 -45.2 69.7 19.7 7.6 11 12 X K H 3<5S+ 0 0 163 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.0 37.6 -57.2 -50.8 73.5 19.7 6.9 12 13 X S H 3<5S- 0 0 74 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.442 103.6-128.4 -84.8 -0.5 73.6 16.3 5.2 13 14 X G T <<5 + 0 0 58 -3,-0.7 3,-0.2 -4,-0.6 -3,-0.2 0.941 61.1 143.4 50.2 51.8 70.2 16.9 3.5 14 15 X S >< + 0 0 32 -5,-2.1 4,-2.6 1,-0.1 5,-0.3 0.181 22.8 111.9-109.2 19.0 69.1 13.6 4.9 15 16 X W H > S+ 0 0 22 -6,-0.4 4,-2.8 1,-0.2 5,-0.2 0.932 81.0 49.7 -54.1 -49.1 65.4 14.4 5.6 16 17 X A H > S+ 0 0 70 1,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.909 112.2 47.8 -56.1 -46.7 64.2 12.1 2.9 17 18 X A H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 114.2 44.8 -62.2 -49.3 66.3 9.2 4.2 18 19 X I H X S+ 0 0 45 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.894 115.2 48.8 -63.3 -41.9 65.2 9.7 7.9 19 20 X Y H X S+ 0 0 19 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.922 110.5 50.0 -65.7 -44.6 61.6 10.0 6.8 20 21 X Q H X S+ 0 0 147 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.894 109.4 53.6 -60.6 -39.4 61.7 6.9 4.6 21 22 X D H X S+ 0 0 97 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.911 109.8 45.2 -62.3 -47.4 63.3 5.0 7.5 22 23 X I H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.935 112.0 54.2 -59.2 -47.4 60.5 5.9 9.9 23 24 X R H < S+ 0 0 131 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 110.5 45.9 -52.7 -45.8 57.9 5.1 7.1 24 25 X H H < S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.6 47.1 -66.5 -39.1 59.5 1.6 6.7 25 26 X E H < S+ 0 0 125 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.706 88.7 113.5 -79.6 -18.7 59.6 1.0 10.5 26 27 X A S < S- 0 0 21 -4,-1.8 224,-0.1 -5,-0.1 225,-0.1 -0.121 75.4 -90.1 -60.8 146.7 56.0 2.2 11.1 27 28 X S - 0 0 36 223,-0.3 2,-0.4 229,-0.1 -1,-0.1 -0.146 29.7-159.1 -55.5 146.4 53.3 -0.2 12.3 28 29 X D + 0 0 145 229,-0.0 -1,-0.0 226,-0.0 226,-0.0 -0.998 22.6 162.4-128.7 116.0 51.0 -2.2 9.9 29 30 X F - 0 0 80 -2,-0.4 2,-0.0 226,-0.0 226,-0.0 -0.943 42.4 -87.3-131.5 157.4 47.8 -3.5 11.5 30 31 X P - 0 0 80 0, 0.0 22,-2.7 0, 0.0 23,-0.4 -0.308 24.5-169.9 -67.0 146.1 44.5 -4.7 9.9 31 32 X C > + 0 0 21 20,-0.3 4,-1.2 21,-0.1 20,-0.1 -0.472 33.9 143.7-123.2 56.0 41.7 -2.4 8.9 32 33 X R H > + 0 0 182 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.911 69.0 51.0 -64.9 -40.8 39.1 -5.0 8.1 33 34 X V H >4 S+ 0 0 32 1,-0.2 3,-1.5 2,-0.2 6,-0.2 0.932 108.8 52.4 -62.8 -45.1 36.1 -3.2 9.4 34 35 X A H 34 S+ 0 0 2 16,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.776 108.6 53.0 -56.9 -33.5 37.0 -0.1 7.3 35 36 X K H 3< S+ 0 0 160 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.453 79.5 118.1 -86.8 -5.2 37.2 -2.3 4.2 36 37 X L S X< S- 0 0 72 -3,-1.5 3,-1.9 -4,-0.5 4,-0.3 -0.374 72.8-122.5 -63.2 139.8 33.8 -3.9 4.6 37 38 X P G > S+ 0 0 103 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.823 110.3 61.2 -48.6 -41.0 31.4 -3.2 1.6 38 39 X K G 3 S+ 0 0 122 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.702 105.3 49.0 -65.2 -14.7 28.8 -1.7 3.9 39 40 X N G X> S+ 0 0 1 -3,-1.9 3,-1.8 -6,-0.2 4,-0.5 0.321 75.9 103.7-105.8 3.9 31.4 1.1 5.0 40 41 X K G X4 S+ 0 0 160 -3,-1.4 3,-1.0 -4,-0.3 -1,-0.2 0.893 82.9 49.1 -54.9 -39.2 32.5 2.1 1.6 41 42 X N G 34 S+ 0 0 107 -4,-0.3 -1,-0.3 -3,-0.2 48,-0.2 0.475 103.2 62.7 -83.9 -0.7 30.4 5.3 1.7 42 43 X R G <4 S+ 0 0 35 -3,-1.8 2,-0.5 -8,-0.1 25,-0.5 0.474 89.6 83.3 -98.7 -5.2 31.8 6.2 5.2 43 44 X N S << S- 0 0 36 -3,-1.0 2,-0.3 -4,-0.5 6,-0.1 -0.892 76.8-130.6-107.5 132.1 35.4 6.5 4.0 44 45 X R > - 0 0 35 -2,-0.5 3,-1.9 4,-0.2 2,-0.1 -0.548 35.7-105.7 -78.9 133.0 36.8 9.6 2.4 45 46 X Y T 3 S+ 0 0 185 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.382 102.2 12.3 -66.0 135.5 38.6 8.9 -0.8 46 47 X R T 3 S+ 0 0 183 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.417 101.6 120.1 76.1 4.1 42.3 9.1 -0.5 47 48 X D S < S- 0 0 33 -3,-1.9 -1,-0.3 169,-0.2 169,-0.1 -0.574 70.3 -98.7 -89.1 162.2 42.2 9.2 3.3 48 49 X V - 0 0 21 -2,-0.2 -4,-0.2 209,-0.1 -1,-0.1 -0.263 32.5-123.5 -68.8 158.0 43.8 6.7 5.5 49 50 X S - 0 0 15 -6,-0.1 208,-0.5 18,-0.0 2,-0.2 -0.856 27.0-114.7 -99.0 149.9 41.7 3.8 7.0 50 51 X P - 0 0 0 0, 0.0 -16,-0.4 0, 0.0 206,-0.1 -0.586 29.7-111.5 -77.7 142.1 41.6 3.3 10.8 51 52 X F > - 0 0 1 204,-0.5 4,-0.9 -2,-0.2 3,-0.4 -0.417 23.6-125.5 -63.7 142.6 43.2 0.2 12.3 52 53 X D T >4 S+ 0 0 38 -22,-2.7 3,-0.7 1,-0.2 -1,-0.1 0.900 105.6 57.9 -51.1 -43.9 40.6 -2.2 13.8 53 54 X H T 34 S+ 0 0 108 -23,-0.4 -1,-0.2 1,-0.3 -22,-0.1 0.782 118.2 28.8 -67.3 -29.1 42.3 -2.3 17.2 54 55 X S T 34 S+ 0 0 10 -3,-0.4 16,-2.9 201,-0.1 -1,-0.3 0.342 89.2 127.6-111.3 3.8 42.2 1.5 17.8 55 56 X R E << -A 69 0A 30 -4,-0.9 2,-0.5 -3,-0.7 14,-0.3 -0.259 61.7-118.2 -63.6 145.3 39.1 2.5 15.8 56 57 X I E - 0 0 8 12,-2.0 10,-0.7 10,-0.3 2,-0.5 -0.756 27.2-145.0 -79.7 128.7 36.4 4.5 17.5 57 58 X K E -A 65 0A 115 -2,-0.5 2,-0.2 8,-0.1 8,-0.2 -0.824 7.4-134.4 -97.4 130.1 33.1 2.6 17.6 58 59 X L - 0 0 4 6,-2.9 2,-1.8 -2,-0.5 39,-0.1 -0.570 26.7-116.5 -74.3 143.8 29.8 4.5 17.3 59 60 X H S S+ 0 0 125 -2,-0.2 2,-0.3 37,-0.1 -1,-0.1 -0.594 77.5 111.4 -83.8 77.1 27.3 3.4 20.0 60 61 X Q - 0 0 86 -2,-1.8 -2,-0.1 1,-0.1 4,-0.0 -0.973 62.7-141.2-148.7 143.7 24.7 2.0 17.5 61 62 X E S S+ 0 0 193 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.773 95.2 48.6 -79.6 -31.0 23.8 -1.6 16.9 62 63 X D S S+ 0 0 127 1,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.918 128.9 1.4 -83.5 -49.2 23.4 -1.6 13.1 63 64 X N + 0 0 18 1,-0.1 -1,-0.3 -24,-0.0 -2,-0.1 -0.807 55.7 174.7-144.0 107.0 26.6 0.1 12.0 64 65 X D + 0 0 48 -2,-0.3 -6,-2.9 -3,-0.2 2,-0.4 0.313 42.9 125.2 -88.5 8.9 29.2 1.3 14.5 65 66 X Y E +A 57 0A 0 -8,-0.2 2,-0.3 -32,-0.1 -8,-0.1 -0.602 22.1 153.4 -85.5 130.2 31.7 2.4 11.9 66 67 X I E - 0 0 9 -10,-0.7 2,-1.8 -2,-0.4 -10,-0.3 -0.980 50.8-113.4-137.8 147.5 33.4 5.8 11.6 67 68 X N E S+ 0 0 1 -25,-0.5 17,-1.5 -2,-0.3 2,-0.3 -0.612 77.1 112.9 -78.5 84.4 36.8 6.6 10.1 68 69 X A E - B 0 83A 0 -2,-1.8 -12,-2.0 15,-0.2 2,-0.3 -0.972 46.9-157.2-155.8 147.3 38.4 7.6 13.4 69 70 X S E -AB 55 82A 0 13,-2.3 13,-2.1 -2,-0.3 2,-0.6 -0.975 17.0-130.2-130.4 146.3 41.2 6.3 15.6 70 71 X L E - B 0 81A 47 -16,-2.9 2,-0.6 -2,-0.3 11,-0.2 -0.827 18.1-162.0 -97.0 121.1 42.0 6.8 19.3 71 72 X I E - B 0 80A 0 9,-3.6 9,-2.3 -2,-0.6 2,-0.6 -0.905 9.6-169.4-101.1 118.5 45.7 7.6 19.8 72 73 X K E - B 0 79A 122 -2,-0.6 2,-0.9 7,-0.2 7,-0.2 -0.934 8.9-165.3-118.9 113.5 46.5 7.0 23.5 73 74 X M E >> - B 0 78A 11 5,-2.9 5,-1.5 -2,-0.6 4,-1.1 -0.862 4.8-171.0-104.3 101.1 49.9 8.3 24.7 74 75 X E T 45S+ 0 0 159 -2,-0.9 3,-0.3 2,-0.2 -1,-0.2 0.917 80.2 41.8 -59.6 -52.9 50.5 6.5 28.0 75 76 X E T 45S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.934 119.4 44.2 -67.0 -41.8 53.5 8.4 29.3 76 77 X A T 45S- 0 0 7 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.649 100.6-136.2 -74.8 -16.1 52.3 11.8 28.3 77 78 X Q T <5 + 0 0 140 -4,-1.1 2,-0.4 -3,-0.3 -3,-0.2 0.887 61.3 126.9 55.8 44.0 48.8 11.0 29.6 78 79 X R E < -B 73 0A 28 -5,-1.5 -5,-2.9 126,-0.0 2,-0.4 -0.977 39.5-168.5-124.7 143.3 47.2 12.5 26.5 79 80 X S E -B 72 0A 39 -2,-0.4 131,-0.7 124,-0.3 2,-0.3 -0.976 4.8-176.9-126.7 150.8 44.7 11.0 24.2 80 81 X Y E -Bc 71 210A 0 -9,-2.3 -9,-3.6 -2,-0.4 2,-0.6 -0.993 20.0-142.9-139.3 144.9 43.5 12.3 20.8 81 82 X I E -Bc 70 211A 0 129,-3.2 131,-3.4 -2,-0.3 2,-0.5 -0.968 19.1-162.8-103.8 124.2 40.9 11.0 18.3 82 83 X L E +Bc 69 212A 4 -13,-2.1 -13,-2.3 -2,-0.6 2,-0.3 -0.917 20.1 162.9-104.3 129.2 42.2 11.5 14.7 83 84 X T E -B 68 0A 8 129,-2.6 131,-0.5 -2,-0.5 -15,-0.2 -0.848 38.0 -97.4-140.6 170.2 39.5 11.3 12.1 84 85 X Q - 0 0 6 -17,-1.5 131,-0.1 -2,-0.3 3,-0.1 -0.501 54.2 -84.6 -84.6 159.5 38.8 12.3 8.4 85 86 X G - 0 0 0 129,-0.4 -1,-0.1 34,-0.2 -41,-0.1 -0.483 63.1 -94.9 -59.6 131.3 37.0 15.5 7.5 86 87 X P - 0 0 2 0, 0.0 35,-3.0 0, 0.0 -1,-0.1 -0.178 37.0-138.0 -53.9 137.9 33.3 14.7 7.6 87 88 X L >> - 0 0 23 33,-0.2 3,-1.9 -45,-0.1 4,-0.5 -0.590 32.4 -97.2 -86.3 163.5 31.6 13.7 4.4 88 89 X P T 34 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 0.794 127.2 39.9 -48.1 -33.6 28.1 14.9 3.4 89 90 X N T 34 S+ 0 0 74 -48,-0.2 4,-0.2 1,-0.2 3,-0.1 0.385 112.1 54.9-102.4 1.5 26.6 11.7 4.8 90 91 X T T <> S+ 0 0 7 -3,-1.9 4,-2.3 2,-0.1 -1,-0.2 0.229 70.4 99.4-118.3 15.6 28.8 11.3 7.9 91 92 X C H X S+ 0 0 12 -4,-0.5 4,-2.1 -3,-0.3 5,-0.2 0.871 86.7 50.6 -68.8 -34.3 28.3 14.6 9.7 92 93 X G H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.8 49.5 -66.3 -42.7 25.7 13.0 12.0 93 94 X H H > S+ 0 0 19 -4,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.892 109.0 53.9 -57.0 -47.0 28.2 10.2 12.8 94 95 X F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 111.8 41.6 -52.7 -53.2 30.9 12.8 13.5 95 96 X W H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.861 110.6 58.3 -73.7 -27.4 28.9 14.7 16.1 96 97 X E H X S+ 0 0 20 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.933 107.0 48.9 -59.1 -47.7 27.6 11.3 17.5 97 98 X M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 6,-0.3 0.915 109.5 51.5 -57.0 -46.1 31.3 10.4 18.1 98 99 X V H X>S+ 0 0 0 -4,-2.2 5,-1.5 2,-0.2 4,-0.6 0.940 114.2 43.9 -57.9 -44.3 31.9 13.8 19.8 99 100 X W H ><5S+ 0 0 23 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.945 116.3 45.5 -63.8 -51.2 28.9 13.3 22.1 100 101 X E H 3<5S+ 0 0 36 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.9 48.2 -66.8 -32.7 29.8 9.6 22.9 101 102 X Q H 3<5S- 0 0 48 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.546 104.9-128.0 -88.7 -4.0 33.5 10.3 23.5 102 103 X K T <<5 + 0 0 131 -3,-0.9 106,-2.7 -4,-0.6 -3,-0.2 0.772 44.0 174.7 65.1 28.6 32.7 13.3 25.8 103 104 X S B < -i 208 0B 4 -5,-1.5 -1,-0.2 -6,-0.3 107,-0.1 -0.375 25.6-167.9 -64.6 146.6 35.1 15.4 23.8 104 105 X R + 0 0 50 104,-0.6 67,-3.1 98,-0.4 2,-0.3 0.666 69.4 42.7-101.0 -29.4 35.3 19.1 24.6 105 106 X G E -d 171 0A 0 97,-0.4 106,-2.1 103,-0.2 2,-0.4 -0.905 53.8-163.0-127.7 146.3 37.2 20.2 21.6 106 107 X V E -de 172 211A 0 65,-2.5 67,-3.4 -2,-0.3 2,-0.6 -0.998 15.5-158.9-119.3 130.9 37.4 19.7 17.8 107 108 X V E -de 173 212A 0 104,-3.3 106,-2.5 -2,-0.4 2,-0.5 -0.958 6.3-170.0-114.5 120.4 40.6 20.8 16.1 108 109 X M E -de 174 213A 0 65,-3.1 67,-2.6 -2,-0.6 106,-0.2 -0.948 8.1-177.5-115.6 123.3 40.3 21.5 12.3 109 110 X L + 0 0 0 104,-2.5 2,-0.3 -2,-0.5 106,-0.2 0.119 60.7 54.6-113.4 20.0 43.5 22.0 10.5 110 111 X N S S- 0 0 1 103,-0.2 2,-0.2 104,-0.2 65,-0.1 -0.941 79.2-110.1-141.0 163.7 42.2 22.7 7.0 111 112 X R - 0 0 84 -2,-0.3 8,-0.2 67,-0.2 -2,-0.1 -0.677 33.1-114.7 -89.9 156.1 39.9 25.1 5.2 112 113 X V S S+ 0 0 32 -2,-0.2 7,-3.4 1,-0.2 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3,-1.8 -4,-0.4 6,-0.2 0.333 78.4 123.7 89.6 -7.4 41.0 22.7 28.5 202 203 X S T 3 S- 0 0 6 4,-0.2 3,-1.6 -106,-0.2 4,-0.2 -0.765 75.8 -74.9 -87.3 159.7 42.4 17.1 4.6 216 217 X A T 3 S- 0 0 27 -97,-0.4 -169,-0.2 -2,-0.4 -1,-0.1 0.070 103.4 -18.3 -52.8 116.2 42.4 13.7 3.0 217 218 X G T 3 S+ 0 0 23 1,-0.1 -1,-0.2 -3,-0.1 -170,-0.1 0.450 107.3 100.5 72.0 4.2 45.7 11.9 3.1 218 219 X I S < S- 0 0 63 -3,-1.6 43,-0.2 1,-0.3 2,-0.1 0.121 72.6-134.6-117.1 24.3 48.0 14.9 3.7 219 220 X G + 0 0 9 39,-0.3 2,-1.6 -4,-0.2 -1,-0.3 -0.422 56.2 131.3 76.1-136.5 48.8 14.8 7.4 220 221 X R S > S+ 0 0 6 1,-0.2 4,-2.1 -2,-0.1 5,-0.1 -0.427 74.6 68.2 75.6 -54.1 48.7 18.0 9.7 221 222 X S H > S+ 0 0 11 -2,-1.6 4,-2.1 1,-0.2 5,-0.2 0.899 99.2 50.2 -61.4 -43.8 46.7 16.2 12.4 222 223 X G H > S+ 0 0 2 36,-0.3 4,-2.7 1,-0.2 5,-0.3 0.868 107.9 53.2 -62.7 -37.4 49.7 14.0 13.2 223 224 X T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.906 107.5 51.6 -63.5 -45.1 51.9 17.1 13.4 224 225 X F H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.944 116.0 39.9 -55.9 -50.8 49.6 18.7 15.9 225 226 X C H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.898 114.9 51.3 -70.1 -41.1 49.5 15.7 18.2 226 227 X L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.937 111.9 47.4 -61.6 -47.5 53.1 14.8 17.9 227 228 X A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 5,-0.2 0.925 113.2 48.1 -57.7 -50.2 54.1 18.4 18.8 228 229 X D H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.945 114.5 45.5 -60.0 -47.7 51.8 18.5 21.8 229 230 X T H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.943 111.7 50.9 -64.2 -46.8 53.0 15.1 23.1 230 231 X C H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.905 111.5 48.3 -55.6 -46.3 56.7 15.9 22.6 231 232 X L H X S+ 0 0 2 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.909 111.2 49.8 -63.5 -42.5 56.4 19.2 24.5 232 233 X L H X S+ 0 0 37 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.928 110.1 50.3 -59.6 -42.6 54.5 17.6 27.3 233 234 X L H X S+ 0 0 6 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.904 106.7 55.8 -66.6 -37.0 57.1 14.8 27.7 234 235 X M H < S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.7 46.7 -62.2 -32.9 59.9 17.5 27.8 235 236 X D H < S+ 0 0 110 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.758 117.6 42.3 -79.3 -22.5 58.2 19.2 30.7 236 237 X K H < S+ 0 0 117 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.840 94.8 85.4 -99.1 -29.3 57.6 16.0 32.6 237 238 X R S < S- 0 0 56 -4,-2.7 6,-0.0 -5,-0.2 4,-0.0 -0.363 72.0-133.3 -77.2 146.3 60.8 14.0 32.2 238 239 X K S S+ 0 0 221 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.836 108.4 39.5 -59.4 -36.0 63.8 14.4 34.4 239 240 X D > + 0 0 84 1,-0.1 3,-1.8 2,-0.0 -1,-0.3 -0.838 67.1 179.7-118.0 92.9 65.9 14.4 31.2 240 241 X P G > S+ 0 0 56 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.772 81.0 66.3 -63.5 -25.2 64.0 16.5 28.5 241 242 X S G 3 S+ 0 0 80 1,-0.3 -7,-0.1 -240,-0.1 -2,-0.0 0.658 88.5 70.5 -71.3 -14.2 66.9 15.8 26.0 242 243 X S G < S+ 0 0 50 -3,-1.8 2,-0.6 -8,-0.1 -1,-0.3 0.601 70.4 106.3 -75.4 -14.3 65.8 12.2 26.2 243 244 X V < - 0 0 5 -3,-1.7 2,-0.6 -4,-0.2 -241,-0.1 -0.600 55.1-165.6 -74.2 117.7 62.6 12.9 24.3 244 245 X D > - 0 0 59 -2,-0.6 4,-2.5 1,-0.1 3,-0.4 -0.917 12.7-158.3-111.7 106.3 63.1 11.5 20.7 245 246 X I H > S+ 0 0 3 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.822 94.4 56.0 -54.0 -36.4 60.5 12.8 18.3 246 247 X K H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.908 109.7 45.1 -64.5 -40.6 61.1 9.9 16.0 247 248 X K H > S+ 0 0 143 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.901 113.8 49.5 -67.5 -42.2 60.4 7.4 18.9 248 249 X V H X S+ 0 0 12 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.941 111.1 50.7 -61.4 -47.0 57.2 9.4 19.9 249 250 X L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.930 109.6 49.5 -55.6 -46.9 56.1 9.4 16.2 250 251 X L H X S+ 0 0 46 -4,-2.2 4,-0.5 1,-0.2 -223,-0.3 0.906 110.2 51.3 -64.5 -36.0 56.5 5.6 15.9 251 252 X E H >< S+ 0 0 65 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.933 111.9 46.3 -62.8 -48.1 54.6 5.1 19.1 252 253 X M H >X S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 4,-0.9 0.891 103.3 63.8 -61.0 -34.0 51.7 7.3 17.8 253 254 X R H 3< S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.669 86.0 73.9 -67.5 -12.0 51.9 5.5 14.4 254 255 X K T << S+ 0 0 90 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.769 102.3 42.3 -67.5 -18.8 50.8 2.3 16.3 255 256 X F T <4 S+ 0 0 34 -3,-2.3 -204,-0.5 1,-0.3 2,-0.3 0.729 126.0 5.2-106.8 -23.0 47.3 3.8 16.5 256 257 X R < - 0 0 12 -4,-0.9 -1,-0.3 -206,-0.1 3,-0.3 -0.957 67.1-121.6-159.5 144.6 46.7 5.3 13.1 257 258 X M S S+ 0 0 66 -208,-0.5 -209,-0.1 -2,-0.3 3,-0.1 -0.290 83.2 37.8 -73.8 163.6 48.4 5.5 9.7 258 259 X G + 0 0 16 1,-0.2 2,-0.6 2,-0.1 -36,-0.3 0.856 61.3 148.5 68.0 36.6 49.4 8.7 7.8 259 260 X L S S+ 0 0 0 1,-0.3 -1,-0.2 -3,-0.3 -6,-0.1 -0.925 78.2 12.4 -89.8 126.9 50.7 10.9 10.7 260 261 X I S S- 0 0 0 -2,-0.6 -1,-0.3 -3,-0.1 -2,-0.1 0.899 72.8-169.8 63.2 93.3 53.4 12.9 8.9 261 262 X Q + 0 0 48 -3,-0.2 2,-0.3 -43,-0.2 -1,-0.1 0.480 62.0 29.1 -99.9 -7.1 53.0 12.3 5.2 262 263 X T S > S- 0 0 62 1,-0.1 4,-1.7 -44,-0.1 3,-0.3 -0.980 77.2-111.3-147.8 164.4 56.2 13.9 3.9 263 264 X A H > S+ 0 0 22 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.832 118.5 57.5 -59.9 -37.7 59.8 14.6 4.8 264 265 X D H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.861 104.5 50.1 -63.7 -38.2 58.9 18.3 4.9 265 266 X Q H > S+ 0 0 12 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.876 109.7 51.8 -67.5 -36.2 56.2 17.6 7.5 266 267 X L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.964 111.4 47.2 -63.5 -49.2 58.8 15.7 9.6 267 268 X R H X S+ 0 0 78 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.929 111.4 50.5 -55.6 -47.2 61.1 18.6 9.4 268 269 X F H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.872 107.1 54.6 -61.4 -37.6 58.4 21.0 10.3 269 270 X S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.928 108.7 48.0 -63.0 -43.8 57.4 18.9 13.3 270 271 X Y H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.936 111.8 51.3 -58.8 -49.0 61.0 19.0 14.6 271 272 X L H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.894 109.9 48.9 -56.0 -43.5 61.0 22.8 14.1 272 273 X A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.892 113.3 46.5 -64.7 -40.5 57.7 23.2 16.0 273 274 X V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.932 112.9 48.9 -68.4 -43.1 58.9 21.1 18.9 274 275 X I H X S+ 0 0 3 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.961 117.5 40.9 -60.7 -50.8 62.3 22.9 19.1 275 276 X E H X S+ 0 0 78 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.889 115.8 50.0 -66.8 -40.6 60.7 26.4 19.0 276 277 X G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.897 109.2 51.4 -63.0 -41.7 57.9 25.4 21.3 277 278 X A H < S+ 0 0 17 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.921 107.6 53.1 -63.1 -42.3 60.3 23.9 23.9 278 279 X K H < S+ 0 0 108 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.911 111.9 47.2 -54.9 -42.1 62.3 27.1 23.8 279 280 X F H < 0 0 151 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.855 360.0 360.0 -68.7 -38.5 59.1 29.0 24.6 280 281 X I < 0 0 102 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.881 360.0 360.0 -84.0 360.0 57.9 26.7 27.4