==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-04 1U5I . COMPND 2 MOLECULE: CALPAIN 2, LARGE [CATALYTIC] SUBUNIT PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.M.HOSFIELD,G.P.PAL,J.S.ELCE,Z.JIA . 801 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 6 0 2 2 6 3 0 1 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 6 2 2 2 2 2 2 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 . 7 3 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 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 A A 0 0 34 0, 0.0 691,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 164.1 0.2 105.6 15.6 2 3 A G >> - 0 0 3 689,-0.4 3,-1.1 1,-0.2 4,-0.9 -0.337 360.0 -53.6 89.6-174.9 2.6 105.0 12.7 3 4 A I H 3> S+ 0 0 7 804,-0.4 4,-2.1 686,-0.4 3,-0.5 0.880 125.1 65.3 -67.2 -34.1 3.2 107.0 9.7 4 5 A A H 3> S+ 0 0 6 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.674 100.1 55.0 -66.3 -14.8 -0.4 107.3 8.5 5 6 A M H X> S+ 0 0 85 -3,-1.1 4,-2.4 2,-0.2 3,-0.7 0.947 106.1 46.0 -81.0 -46.8 -1.2 109.3 11.5 6 7 A K H 3X S+ 0 0 39 -4,-0.9 4,-3.9 -3,-0.5 -2,-0.2 0.900 111.6 56.0 -62.5 -32.9 1.5 112.0 11.1 7 8 A L H 3X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.3 -1,-0.2 0.791 108.9 45.4 -70.3 -39.5 0.5 112.3 7.4 8 9 A A H S+ 0 0 38 -4,-2.5 5,-3.0 2,-0.2 3,-0.2 0.931 107.5 49.6 -56.5 -43.8 -4.8 118.8 8.7 13 14 A A H ><5S+ 0 0 45 -4,-2.8 3,-3.3 1,-0.3 -2,-0.2 0.961 104.9 57.1 -66.7 -37.8 -2.1 121.5 9.4 14 15 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.847 104.3 54.1 -67.6 -17.7 -1.8 122.3 5.8 15 16 A E T 3<5S- 0 0 117 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.342 133.7 -90.8 -94.2 10.5 -5.6 123.0 6.0 16 17 A G T X 5S+ 0 0 24 -3,-3.3 3,-1.7 1,-0.3 6,-0.3 0.487 75.5 148.3 102.9 -3.6 -5.0 125.4 8.9 17 18 A L T 3 S+ 0 0 30 1,-0.3 3,-0.6 -2,-0.1 -1,-0.1 0.894 124.9 54.3 -53.1 -38.8 -4.9 130.6 16.0 21 22 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -4,-0.0 2,-0.2 0.694 121.5 29.1 -70.9 -23.5 -8.2 130.5 14.2 22 23 A R G < S- 0 0 112 -3,-1.5 -4,-3.0 -6,-0.3 -3,-0.4 -0.562 83.1-173.2-137.2 70.3 -8.4 126.7 14.4 23 24 A A < - 0 0 9 -3,-0.6 126,-0.3 -5,-0.2 2,-0.2 -0.296 30.6 -99.1 -69.6 157.8 -6.6 125.5 17.4 24 25 A I E -a 149 0A 38 124,-2.5 126,-2.8 1,-0.1 2,-1.0 -0.376 31.9-123.9 -73.4 129.9 -5.9 121.8 18.2 25 26 A K E > -a 150 0A 75 -2,-0.2 3,-2.3 124,-0.2 126,-0.2 -0.683 29.4-129.4 -75.0 107.9 -8.3 120.3 20.7 26 27 A Y G > S- 0 0 61 124,-2.9 3,-2.1 -2,-1.0 126,-0.1 -0.236 87.7 -5.3 -66.6 131.6 -5.9 119.1 23.4 27 28 A L G 3 S- 0 0 83 1,-0.3 -1,-0.3 124,-0.1 3,-0.1 0.780 122.6 -77.8 59.2 21.3 -6.8 115.4 24.2 28 29 A N G < S+ 0 0 149 -3,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.675 91.9 144.1 59.3 27.4 -9.6 115.8 21.9 29 30 A Q < - 0 0 29 -3,-2.1 2,-0.4 121,-0.2 -1,-0.2 -0.681 34.5-155.1-102.0 137.7 -11.7 117.6 24.3 30 31 A D > - 0 0 42 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 -0.966 9.6-148.2-120.4 137.4 -13.9 120.4 23.1 31 32 A Y H > S+ 0 0 18 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 0.973 96.4 46.8 -71.4 -55.4 -15.2 123.2 25.3 32 33 A E H > S+ 0 0 107 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.957 116.6 47.0 -53.7 -48.2 -18.5 124.0 23.8 33 34 A T H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.931 115.2 41.5 -57.0 -54.7 -19.4 120.2 23.8 34 35 A L H X S+ 0 0 35 -4,-2.8 4,-3.3 2,-0.2 -1,-0.2 0.936 114.5 53.5 -66.0 -44.4 -18.4 119.3 27.2 35 36 A R H X S+ 0 0 35 -4,-2.6 4,-2.3 -5,-0.4 -2,-0.2 0.981 111.0 45.7 -45.8 -61.1 -19.9 122.5 28.5 36 37 A N H X S+ 0 0 57 -4,-3.8 4,-3.4 -5,-0.3 5,-0.4 0.961 110.0 55.2 -54.6 -45.0 -23.2 121.8 27.0 37 38 A E H X S+ 0 0 105 -4,-2.8 4,-1.9 -5,-0.3 -1,-0.2 0.986 108.8 45.8 -50.5 -53.6 -23.1 118.2 28.1 38 39 A C H <>S+ 0 0 19 -4,-3.3 5,-2.0 -5,-0.2 4,-0.4 0.870 112.1 53.8 -56.0 -44.4 -22.6 119.3 31.7 39 40 A L H ><5S+ 0 0 69 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.934 106.8 50.9 -55.3 -46.0 -25.5 122.0 31.2 40 41 A E H 3<5S+ 0 0 177 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.1 0.901 115.8 42.9 -62.0 -34.9 -28.0 119.3 29.9 41 42 A A T 3<5S- 0 0 76 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.547 104.9-128.4 -87.4 0.7 -27.2 117.3 33.0 42 43 A G T < 5 + 0 0 78 -3,-1.1 2,-0.3 -4,-0.4 -3,-0.2 0.918 67.7 127.5 49.0 35.6 -27.3 120.2 35.5 43 44 A A < - 0 0 52 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.860 62.2-116.6-113.0 152.7 -23.7 119.1 36.8 44 45 A L - 0 0 73 -2,-0.3 92,-0.3 -3,-0.1 110,-0.1 -0.716 46.0 -87.9 -85.3 148.8 -20.6 121.0 37.2 45 46 A F - 0 0 7 90,-3.2 2,-0.3 -2,-0.3 110,-0.1 -0.241 36.3-174.3 -65.6 132.6 -17.6 119.9 35.0 46 47 A Q - 0 0 136 108,-0.1 -1,-0.1 109,-0.1 91,-0.1 -0.732 20.2-142.6-120.3 94.3 -15.2 117.2 36.2 47 48 A D > - 0 0 2 -2,-0.3 3,-1.3 3,-0.2 5,-0.1 -0.140 10.3-166.4 -53.3 112.7 -12.2 116.9 33.8 48 49 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.838 86.1 59.0 -64.5 -26.0 -11.2 113.1 33.5 49 50 A S T 3 S+ 0 0 48 1,-0.3 -2,-0.1 -22,-0.0 -22,-0.0 0.367 125.7 12.9-101.6 21.2 -7.9 114.0 31.8 50 51 A F S < S- 0 0 10 -3,-1.3 -1,-0.3 -4,-0.0 104,-0.3 -0.225 85.7-176.9 176.7 73.9 -6.7 116.2 34.7 51 52 A P > - 0 0 37 0, 0.0 2,-3.3 0, 0.0 5,-0.6 -0.234 44.8 -88.7 -73.8 168.1 -8.8 115.6 37.8 52 53 A A T 5S+ 0 0 14 3,-0.1 22,-0.2 -5,-0.1 105,-0.0 -0.284 92.5 103.6 -74.3 66.5 -8.6 117.3 41.2 53 54 A L T > 5S- 0 0 96 -2,-3.3 3,-1.1 1,-0.0 4,-0.2 -0.786 91.4 -83.8-141.9 172.9 -6.1 114.8 42.5 54 55 A P G >>5S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 3,-2.4 0.801 115.1 74.0 -50.1 -43.7 -2.4 114.4 43.2 55 56 A S G 345S+ 0 0 86 1,-0.3 -3,-0.1 2,-0.2 0, 0.0 0.889 97.5 46.8 -32.3 -49.2 -1.7 113.5 39.6 56 57 A S G <4 S+ 0 0 157 3,-0.1 3,-2.0 6,-0.0 -2,-0.1 0.120 137.9 20.1-142.3 -83.4 8.3 114.7 43.3 61 62 A E T 3 S+ 0 0 98 1,-0.3 7,-0.2 131,-0.1 8,-0.2 0.961 145.2 26.3 -57.3 -50.7 8.2 118.1 44.9 62 63 A L T 3 S+ 0 0 14 -5,-0.2 -1,-0.3 6,-0.1 130,-0.2 -0.175 102.8 141.2 -98.7 37.7 4.5 118.3 44.6 63 64 A G X - 0 0 2 -3,-2.0 3,-1.2 1,-0.2 6,-0.3 -0.078 60.5 -84.7 -78.0 179.2 4.1 114.5 44.6 64 65 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.481 119.3 22.8 -76.5 158.6 1.4 112.2 46.1 65 66 A Y T 3 S+ 0 0 216 1,-0.3 2,-0.2 4,-0.2 5,-0.1 0.314 95.4 130.9 57.8 0.9 2.2 111.4 49.7 66 67 A S X - 0 0 20 -3,-1.2 3,-0.9 1,-0.1 -1,-0.3 -0.515 61.4-136.3 -82.7 144.2 4.2 114.5 49.6 67 68 A S G > S+ 0 0 86 1,-0.3 3,-2.4 -2,-0.2 -1,-0.1 0.889 101.5 65.1 -78.5 -29.9 3.4 116.7 52.6 68 69 A K G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -7,-0.2 -6,-0.1 0.865 110.2 38.9 -57.5 -30.6 3.3 119.8 50.6 69 70 A T G X S+ 0 0 14 -3,-0.9 3,-0.7 -6,-0.3 2,-0.4 0.117 90.3 122.2-102.1 17.8 0.3 118.3 48.8 70 71 A R T < S+ 0 0 169 -3,-2.4 -3,-0.0 1,-0.2 0, 0.0 -0.679 79.3 5.0 -83.1 133.5 -1.2 116.8 52.0 71 72 A G T 3 S+ 0 0 52 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.712 81.1 164.0 65.9 23.5 -4.7 118.0 52.8 72 73 A I < - 0 0 28 -3,-0.7 2,-0.5 88,-0.1 -1,-0.2 -0.526 23.9-153.1 -59.0 133.1 -5.4 120.1 49.7 73 74 A E - 0 0 94 86,-2.8 2,-0.6 -2,-0.2 86,-0.3 -0.958 5.0-147.7-114.3 113.3 -9.0 120.9 49.2 74 75 A W + 0 0 44 -2,-0.5 2,-0.3 -22,-0.2 82,-0.1 -0.710 25.8 174.2 -85.1 129.9 -10.0 121.6 45.7 75 76 A K B -C 157 0B 57 82,-1.8 82,-1.8 -2,-0.6 5,-0.0 -0.974 27.4-121.2-137.3 146.8 -12.7 124.0 45.6 76 77 A R > - 0 0 12 -2,-0.3 3,-2.0 80,-0.2 80,-0.1 -0.391 37.3-100.0 -90.5 164.3 -14.5 125.8 42.8 77 78 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.913 122.5 57.5 -51.1 -44.2 -14.6 129.7 42.4 78 79 A T G > S+ 0 0 73 1,-0.3 3,-0.7 2,-0.2 52,-0.0 0.785 101.6 61.1 -56.0 -20.7 -18.1 129.9 43.9 79 80 A E G < S+ 0 0 103 -3,-2.0 -1,-0.3 1,-0.2 3,-0.1 0.222 111.3 33.4-105.1 33.3 -16.7 128.2 47.0 80 81 A I G < S+ 0 0 58 -3,-1.9 2,-0.3 1,-0.3 -1,-0.2 -0.063 119.0 37.6-163.6 30.4 -14.2 130.8 47.8 81 82 A C < - 0 0 33 -3,-0.7 -1,-0.3 1,-0.1 92,-0.1 -0.882 67.7-134.0-174.9 143.4 -15.6 134.0 46.9 82 83 A A S S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.3 91,-0.1 0.910 104.0 22.0 -77.5 -33.4 -19.2 135.4 47.1 83 84 A D S S- 0 0 115 -3,-0.1 -1,-0.3 -6,-0.1 -5,-0.1 -0.470 79.3-163.9-131.6 75.8 -19.1 136.7 43.7 84 85 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.263 7.3-166.2 -57.2 125.8 -16.5 135.1 41.3 85 86 A Q B -d 174 0C 32 88,-2.0 90,-2.7 1,-0.2 91,-0.4 -0.878 17.1-150.5 -99.9 141.4 -15.7 137.1 38.3 86 87 A F S S- 0 0 3 -2,-0.4 90,-2.7 1,-0.3 2,-0.4 0.980 79.5 -13.5 -73.0 -61.8 -13.8 135.7 35.1 87 88 A I - 0 0 55 41,-0.3 2,-0.4 88,-0.1 -1,-0.3 -0.965 55.7-150.3-143.5 134.4 -12.3 139.0 34.1 88 89 A I > - 0 0 92 -2,-0.4 3,-0.6 -3,-0.2 2,-0.1 -0.893 18.9-145.8 -85.2 124.5 -12.8 142.7 34.8 89 90 A G T 3 S+ 0 0 63 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.390 78.5 65.1 -83.4 170.3 -12.0 145.2 32.0 90 91 A G T 3 + 0 0 69 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 -0.065 69.8 170.1 99.5 -21.8 -10.5 148.7 32.9 91 92 A A < + 0 0 49 -3,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.061 13.9 157.6 -41.4 110.7 -7.5 146.7 34.1 92 93 A T + 0 0 86 -3,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.447 67.7 16.5-112.6 -18.3 -4.8 149.4 34.8 93 94 A R - 0 0 143 174,-0.1 2,-0.4 21,-0.1 174,-0.2 -0.893 68.3-127.7-139.4-171.2 -3.0 147.3 37.1 94 95 A T + 0 0 6 172,-2.7 17,-0.0 -2,-0.3 21,-0.0 -0.988 13.8 179.5-130.3 150.2 -2.4 143.8 38.4 95 96 A D + 0 0 29 -2,-0.4 75,-2.6 2,-0.1 2,-0.3 -0.050 34.5 146.0-132.0 35.4 -2.4 142.3 41.9 96 97 A I E +E 169 0D 4 73,-0.3 2,-0.3 11,-0.1 73,-0.3 -0.566 19.2 169.1 -68.7 140.9 -1.6 138.6 41.0 97 98 A C E -E 168 0D 42 71,-3.8 71,-1.4 -2,-0.3 2,-0.2 -0.949 30.1-103.2-146.0 177.5 0.4 136.8 43.3 98 99 A Q - 0 0 34 -2,-0.3 69,-0.2 69,-0.2 68,-0.1 -0.560 24.6-131.7-109.8 154.3 1.5 133.3 44.1 99 100 A G - 0 0 18 2,-0.6 66,-0.2 -2,-0.2 -1,-0.1 -0.072 48.9 -80.2 -94.6-165.6 0.3 130.9 46.6 100 101 A A S S+ 0 0 93 64,-0.2 2,-0.3 66,-0.1 66,-0.2 0.680 122.3 43.8 -70.8 -25.8 2.5 129.1 48.8 101 102 A L S S+ 0 0 17 64,-2.3 -2,-0.6 2,-0.1 -39,-0.0 -0.840 89.1 72.2-101.3 159.2 3.2 126.6 46.0 102 103 A G S S- 0 0 32 -2,-0.3 -4,-0.1 -4,-0.1 90,-0.1 0.415 76.7 -90.3 105.4 118.1 3.7 127.7 42.6 103 104 A D > - 0 0 45 1,-0.1 3,-0.6 3,-0.1 4,-0.3 0.052 23.3-134.2 -73.0 160.3 6.6 129.4 40.7 104 105 A S T >> S+ 0 0 78 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.649 89.1 89.0-104.0 -6.3 6.8 133.0 40.4 105 106 A W H 3> S+ 0 0 10 1,-0.3 4,-2.0 90,-0.2 -1,-0.2 0.853 81.9 67.3 -57.2 -22.5 7.6 133.1 36.7 106 107 A L H <> S+ 0 0 0 -3,-0.6 4,-3.2 1,-0.2 5,-0.4 0.849 88.0 65.5 -72.3 -28.2 3.8 133.2 36.4 107 108 A L H <> S+ 0 0 35 -3,-1.1 4,-2.8 -4,-0.3 -1,-0.2 0.960 106.4 37.3 -50.6 -62.9 3.6 136.5 37.8 108 109 A A H X S+ 0 0 16 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.847 117.3 51.7 -62.9 -38.2 5.5 138.3 35.1 109 110 A A H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.973 116.0 39.9 -65.2 -55.0 3.9 136.2 32.3 110 111 A I H X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.913 111.6 58.1 -56.3 -36.2 0.4 136.8 33.5 111 112 A A H X S+ 0 0 2 -4,-2.8 4,-0.5 -5,-0.4 3,-0.2 0.947 104.1 53.5 -61.3 -39.9 1.3 140.5 34.3 112 113 A S H >< S+ 0 0 26 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.869 107.2 52.2 -64.1 -30.1 2.3 141.1 30.7 113 114 A L H >< S+ 0 0 2 -4,-1.4 3,-1.4 1,-0.2 7,-0.6 0.762 97.6 63.3 -76.6 -39.8 -1.0 139.8 29.5 114 115 A T H 3< S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.514 99.4 56.0 -64.4 -3.7 -3.1 142.0 31.6 115 116 A L T << S+ 0 0 53 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.2 0.145 102.8 54.8-121.9 19.5 -1.9 145.1 29.9 116 117 A N <> - 0 0 53 -3,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.797 58.8-168.4-143.8 123.9 -2.7 144.2 26.3 117 118 A E H > S+ 0 0 131 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.881 89.9 53.9 -64.0 -51.8 -6.3 143.2 25.4 118 119 A E H > S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 114.2 45.9 -61.4 -30.4 -5.5 142.0 21.9 119 120 A I H >> S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 3,-1.3 0.990 112.1 44.9 -70.6 -64.5 -2.9 139.8 23.6 120 121 A L H >X S+ 0 0 12 -4,-2.3 4,-3.0 -7,-0.6 3,-0.7 0.883 109.6 56.7 -47.3 -41.3 -4.8 138.4 26.4 121 122 A A H 3< S+ 0 0 21 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.925 97.0 63.6 -67.2 -30.2 -7.7 137.7 24.3 122 123 A R H << S+ 0 0 28 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.795 119.6 25.9 -68.4 -21.7 -5.5 135.6 22.0 123 124 A V H << S+ 0 0 0 -4,-1.4 18,-1.5 -3,-0.7 -1,-0.3 0.702 125.0 48.1-112.0 -12.7 -4.9 133.3 24.9 124 125 A V S < S- 0 0 0 -4,-3.0 -1,-0.2 -5,-0.3 16,-0.1 -0.816 77.5-138.4-132.5 91.2 -8.0 133.8 27.0 125 126 A P - 0 0 19 0, 0.0 14,-0.2 0, 0.0 -3,-0.1 -0.359 12.6-152.0 -39.2 124.6 -11.3 133.7 25.2 126 127 A L S S+ 0 0 62 1,-0.2 2,-3.1 -5,-0.0 -39,-0.1 0.693 77.4 89.8 -84.7 -19.7 -13.3 136.6 26.8 127 128 A D S S+ 0 0 155 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.329 70.8 100.8 -75.5 74.6 -16.5 135.0 26.2 128 129 A Q + 0 0 16 -2,-3.1 2,-0.3 -41,-0.1 -41,-0.3 -0.993 40.4 143.4-156.2 144.1 -16.5 133.3 29.5 129 130 A S - 0 0 19 -2,-0.3 -44,-0.1 -43,-0.1 -2,-0.0 -0.996 50.3-117.8-169.8 177.1 -18.0 133.6 32.9 130 131 A F S S+ 0 0 21 -2,-0.3 -1,-0.1 -46,-0.2 -45,-0.1 0.650 111.9 48.7-103.6 -4.8 -19.6 132.5 36.2 131 132 A Q S S+ 0 0 100 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.838 108.5 50.6-103.0 -42.2 -22.8 134.2 35.7 132 133 A E S S- 0 0 140 1,-0.1 -4,-0.0 0, 0.0 -2,-0.0 0.765 127.3 -19.1 -69.3-114.7 -23.7 133.1 32.0 133 134 A N S S+ 0 0 97 2,-0.0 -1,-0.1 0, 0.0 -94,-0.1 -0.013 86.7 174.0 -93.8 24.0 -23.7 129.4 30.7 134 135 A Y + 0 0 46 1,-0.1 -4,-0.1 2,-0.1 4,-0.1 -0.036 18.5 152.0 -17.6 120.8 -21.4 128.5 33.8 135 136 A A S S- 0 0 4 2,-0.2 -90,-3.2 -91,-0.0 -1,-0.1 0.137 71.6 -93.3-154.5 24.0 -20.8 124.8 34.1 136 137 A G S S+ 0 0 0 1,-0.3 19,-1.2 -92,-0.3 2,-0.4 0.729 91.3 115.4 68.0 27.6 -17.6 124.8 35.8 137 138 A I E +B 154 0A 4 17,-0.3 2,-0.3 18,-0.1 -1,-0.3 -0.957 35.7 174.3-121.9 139.9 -15.6 124.5 32.6 138 139 A F E -B 153 0A 2 15,-3.6 15,-3.0 -2,-0.4 2,-0.3 -0.976 11.3-153.5-133.7 177.2 -13.2 127.0 31.1 139 140 A H E -B 152 0A 23 -2,-0.3 13,-0.2 13,-0.3 2,-0.2 -0.939 8.9-178.4-148.5 146.0 -10.9 127.0 28.1 140 141 A F E -B 151 0A 0 11,-2.3 11,-1.3 -2,-0.3 2,-0.4 -0.834 21.3-128.1-135.1 178.4 -7.6 128.7 26.9 141 142 A Q E -B 150 0A 27 -18,-1.5 2,-0.4 9,-0.2 9,-0.2 -0.892 24.0-175.8-146.4 112.1 -5.3 128.7 23.9 142 143 A F E -B 149 0A 0 7,-1.8 7,-2.1 -2,-0.4 2,-0.4 -0.759 25.4-124.1-106.7 152.5 -1.7 128.2 24.1 143 144 A W E -B 148 0A 10 62,-2.2 2,-0.5 -2,-0.4 5,-0.2 -0.761 27.0-165.6 -94.6 134.0 1.1 128.3 21.4 144 145 A Q E > -B 147 0A 23 3,-4.2 3,-1.7 -2,-0.4 219,-0.0 -0.933 60.9 -52.2-130.3 93.5 3.1 125.0 21.2 145 146 A Y T 3 S- 0 0 37 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.750 126.6 -24.3 45.4 53.7 6.2 125.0 19.4 146 147 A G T 3 S+ 0 0 13 1,-0.2 2,-0.3 287,-0.1 -1,-0.3 0.233 124.7 66.2 111.9 -14.6 4.6 126.6 16.4 147 148 A E E < S- B 0 144A 85 -3,-1.7 -3,-4.2 -128,-0.1 2,-0.3 -0.995 76.7-107.5-138.3 159.0 1.0 125.7 16.5 148 149 A W E - B 0 143A 16 -130,-3.9 -124,-2.5 -2,-0.3 2,-0.3 -0.591 28.0-171.8 -95.9 141.6 -2.0 126.6 18.6 149 150 A V E -aB 24 142A 12 -7,-2.1 -7,-1.8 -2,-0.3 2,-0.4 -0.990 14.4-143.8-134.7 123.5 -3.6 124.1 21.1 150 151 A E E -aB 25 141A 26 -126,-2.8 -124,-2.9 -2,-0.3 2,-0.3 -0.765 18.6-169.1-100.1 131.9 -6.8 124.7 23.0 151 152 A V E - B 0 140A 1 -11,-1.3 -11,-2.3 -2,-0.4 2,-0.3 -0.839 6.2-154.7-121.4 146.1 -7.0 123.3 26.5 152 153 A V E - B 0 139A 4 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.3 -0.910 12.3-178.4-125.7 141.6 -9.9 123.0 28.6 153 154 A V E - B 0 138A 0 -15,-3.0 -15,-3.6 -2,-0.3 2,-0.3 -0.992 27.5-123.8-137.9 148.3 -10.1 122.8 32.5 154 155 A D E - B 0 137A 0 -2,-0.4 -17,-0.3 -104,-0.3 -18,-0.1 -0.660 36.2-113.8 -82.2 152.0 -12.7 122.5 35.1 155 156 A D S S+ 0 0 0 -19,-1.2 2,-0.4 -2,-0.3 -80,-0.1 0.564 73.0 122.3 -64.9 -9.5 -12.6 125.3 37.7 156 157 A R - 0 0 34 -20,-0.3 -80,-0.2 -80,-0.1 -2,-0.1 -0.328 43.7-170.0 -63.8 123.3 -11.6 123.5 40.8 157 158 A L B -C 75 0B 4 -82,-1.8 -82,-1.8 -2,-0.4 2,-0.1 -0.710 26.0-100.1-110.6 145.8 -8.4 125.2 42.0 158 159 A P + 0 0 2 0, 0.0 7,-1.2 0, 0.0 2,-0.3 -0.364 45.0 170.3 -70.1 142.9 -6.2 124.0 44.8 159 160 A T E -F 164 0E 0 -86,-0.3 -86,-2.8 5,-0.2 2,-0.4 -0.994 25.8-161.2-152.4 138.4 -6.4 125.4 48.4 160 161 A K E > S-F 163 0E 64 3,-2.0 3,-2.4 -2,-0.3 -88,-0.1 -0.988 91.4 -5.1-119.9 128.0 -5.0 124.8 51.9 161 162 A D T 3 S- 0 0 145 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.856 129.8 -61.7 52.6 33.3 -7.1 126.6 54.8 162 163 A G T 3 S+ 0 0 34 1,-0.2 2,-0.4 -89,-0.1 -1,-0.3 0.402 110.8 128.1 73.2 2.5 -9.2 128.3 52.0 163 164 A E E < -F 160 0E 136 -3,-2.4 -3,-2.0 2,-0.0 2,-0.3 -0.798 66.6-120.4 -82.6 119.8 -6.0 130.0 50.8 164 165 A L E -F 159 0E 15 -2,-0.4 -64,-0.2 -5,-0.2 -5,-0.2 -0.554 18.7-154.3 -60.3 129.4 -5.2 129.5 46.9 165 166 A L S S+ 0 0 10 -7,-1.2 -64,-2.3 -2,-0.3 2,-0.1 0.377 71.0 26.9 -85.7 -2.3 -1.8 127.7 46.7 166 167 A F S S- 0 0 6 -8,-0.3 -69,-0.1 1,-0.3 -64,-0.1 -0.358 111.7 -10.6-138.7-147.7 -0.9 129.1 43.2 167 168 A V S S+ 0 0 1 -69,-0.2 -1,-0.3 11,-0.1 2,-0.3 -0.263 70.9 141.5 -72.1 130.5 -1.6 132.1 40.9 168 169 A H E -E 97 0D 28 -71,-1.4 -71,-3.8 -3,-0.1 2,-0.1 -0.826 51.4-110.5-174.4 133.6 -4.3 134.3 42.2 169 170 A S E -E 96 0D 3 5,-0.7 -73,-0.3 -73,-0.3 3,-0.1 -0.357 27.9-126.7 -62.4 145.4 -5.0 137.9 42.3 170 171 A A S S+ 0 0 67 -75,-2.6 -74,-0.1 1,-0.2 -1,-0.1 0.949 105.1 63.8 -65.7 -43.5 -4.9 139.5 45.9 171 172 A E S S- 0 0 144 1,-0.1 -1,-0.2 -76,-0.1 -75,-0.1 0.765 98.2-141.7 -45.8 -41.6 -8.4 141.1 45.7 172 173 A G S S+ 0 0 34 2,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.556 73.7 90.2 90.8 9.7 -9.8 137.7 45.4 173 174 A S + 0 0 19 1,-0.1 -88,-2.0 -89,-0.1 2,-0.4 0.915 63.4 71.6-106.1 -45.6 -12.4 138.2 43.0 174 175 A E B -d 85 0C 37 -90,-0.2 -5,-0.7 1,-0.1 -88,-0.2 -0.682 50.1-178.3 -77.8 121.2 -11.0 137.7 39.2 175 176 A F >> + 0 0 9 -90,-2.7 4,-1.3 -2,-0.4 3,-0.6 0.575 55.4 91.5-101.9 -15.0 -10.4 134.0 38.5 176 177 A W H >> S+ 0 0 4 -90,-2.7 4,-3.2 -91,-0.4 3,-0.8 0.894 87.2 51.5 -57.7 -39.0 -9.1 134.0 34.9 177 178 A S H 3> S+ 0 0 0 -91,-0.3 4,-1.3 1,-0.3 -1,-0.3 0.877 110.8 44.8 -64.5 -46.2 -5.5 134.2 35.9 178 179 A A H <> S+ 0 0 2 -3,-0.6 4,-0.7 -4,-0.2 -1,-0.3 0.737 114.6 51.6 -66.4 -25.9 -5.6 131.3 38.3 179 180 A L H <>S+ 0 0 0 -4,-2.5 5,-1.1 -5,-0.2 3,-0.8 0.959 110.1 56.7 -45.6 -50.9 0.0 123.1 34.1 186 187 A K H ><5S+ 0 0 3 -4,-1.9 3,-1.3 1,-0.2 -2,-0.3 0.920 105.4 44.8 -46.9 -58.7 -2.4 120.8 32.3 187 188 A I H 3<5S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.605 115.1 51.3 -69.2 -11.2 -0.7 120.9 28.9 188 189 A N T <<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.366 121.1-107.0 -96.0 -4.2 2.7 120.4 30.8 189 190 A G T < 5S- 0 0 46 -3,-1.3 2,-0.2 -4,-0.5 -3,-0.2 0.116 82.0 -5.7 110.0 -33.9 1.3 117.4 32.8 190 191 A C S > S+ 0 0 5 -135,-2.1 3,-3.6 1,-0.2 4,-0.4 0.895 116.9 64.0 -56.5 -48.1 1.6 122.0 38.3 192 193 A E G 3 S+ 0 0 2 -135,-2.8 3,-0.5 1,-0.3 4,-0.4 0.599 88.6 67.7 -57.2 -21.5 5.0 120.9 39.4 193 194 A A G < S+ 0 0 1 -3,-0.9 178,-2.9 1,-0.2 -1,-0.3 0.640 93.8 59.2 -65.8 -23.9 6.2 120.9 35.9 194 195 A L S X S+ 0 0 4 -3,-3.6 3,-1.6 -4,-0.2 -2,-0.2 0.640 80.2 100.2 -83.1 -11.2 5.9 124.6 36.0 195 196 A S T 3 S+ 0 0 43 -3,-0.5 2,-1.1 -4,-0.4 -90,-0.2 0.908 85.7 31.5 -45.4 -66.4 8.3 124.8 38.8 196 197 A G T 3 S+ 0 0 47 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.089 90.4 156.1 -86.9 41.9 11.5 125.7 37.1 197 198 A G < - 0 0 12 -3,-1.6 2,-0.3 -2,-1.1 -93,-0.1 -0.082 37.9-136.8 -72.1 173.6 9.9 127.7 34.5 198 199 A A >> - 0 0 35 1,-0.1 4,-1.8 -93,-0.0 3,-0.5 -0.929 12.9-138.3-111.4 149.4 11.4 130.6 32.4 199 200 A T H 3> S+ 0 0 30 -2,-0.3 4,-1.2 1,-0.3 5,-0.2 0.875 102.9 57.6 -80.3 -27.7 9.3 133.7 31.8 200 201 A T H 3> S+ 0 0 21 3,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.775 108.4 46.9 -65.8 -34.9 10.4 133.9 28.3 201 202 A E H <> S+ 0 0 13 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.896 115.5 40.9 -67.4 -53.4 9.1 130.4 27.5 202 203 A G H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.864 115.5 52.9 -73.1 -25.1 5.8 130.6 29.1 203 204 A F H < S+ 0 0 20 -4,-1.2 3,-0.5 -5,-0.5 6,-0.3 0.952 107.0 52.1 -76.5 -36.7 5.4 134.0 27.7 204 205 A E H >X S+ 0 0 5 -4,-1.5 4,-2.9 1,-0.2 3,-1.5 0.942 110.1 50.2 -47.7 -43.1 6.3 132.5 24.4 205 206 A D H 3< S+ 0 0 1 -4,-3.1 -62,-2.2 1,-0.3 -1,-0.2 0.679 106.7 55.1 -82.3 -3.2 3.5 129.9 25.0 206 207 A F T 3< S+ 0 0 1 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.546 124.1 18.6-101.5 2.7 1.1 132.6 25.9 207 208 A T T <4 S- 0 0 4 -3,-1.5 86,-0.3 -4,-0.3 -2,-0.2 0.672 86.8-118.2-143.4 -31.6 1.6 134.5 22.7 208 209 A G S < S+ 0 0 2 -4,-2.9 -4,-0.1 -5,-0.2 -3,-0.1 0.511 74.4 128.5 92.2 6.4 3.1 132.8 19.8 209 210 A G - 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0 0 47 37,-0.1 -2,-0.5 38,-0.1 2,-0.4 -0.997 68.5-131.8-159.8 163.9 29.1 96.3 6.9 553 622 A M E -U 588 0L 1 35,-0.9 35,-1.8 -2,-0.3 2,-0.4 -0.850 23.9-127.8-119.2 136.1 27.8 99.7 6.2 554 623 A N E > -U 587 0L 76 -2,-0.4 3,-2.7 33,-0.2 4,-0.3 -0.783 23.7-120.9 -85.1 148.7 27.1 102.5 8.6 555 624 A S G > S+ 0 0 4 31,-2.9 3,-1.9 -2,-0.4 4,-0.4 0.797 111.2 65.7 -43.1 -47.4 23.4 104.2 8.4 556 625 A Y G 3 S+ 0 0 23 1,-0.3 -1,-0.3 30,-0.2 3,-0.3 0.604 95.6 58.0 -60.1 -17.7 25.0 107.5 7.7 557 626 A E G <> S+ 0 0 50 -3,-2.7 4,-3.0 1,-0.2 -1,-0.3 0.411 77.2 89.0 -92.2 -7.7 26.2 106.1 4.3 558 627 A M H <> S+ 0 0 5 -3,-1.9 4,-4.0 -4,-0.3 5,-0.3 0.898 79.0 64.2 -57.7 -41.1 22.9 105.2 2.8 559 628 A R H > S+ 0 0 25 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.939 110.9 37.8 -45.5 -47.0 22.4 108.5 1.3 560 629 A K H >> S+ 0 0 69 -3,-0.3 4,-2.6 1,-0.2 3,-0.5 0.985 115.8 51.1 -78.7 -52.4 25.3 107.9 -0.7 561 630 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.3 -1,-0.2 0.872 108.5 52.3 -40.9 -46.8 24.7 104.4 -1.4 562 631 A L H 3<>S+ 0 0 0 -4,-4.0 5,-2.7 -5,-0.2 4,-0.4 0.906 105.5 55.4 -62.2 -43.7 21.2 105.0 -2.5 563 632 A E H X<5S+ 0 0 114 -4,-2.0 3,-3.0 -3,-0.5 -2,-0.2 0.978 105.2 51.8 -57.5 -53.5 22.4 107.7 -5.0 564 633 A E H 3<5S+ 0 0 115 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.883 105.5 58.4 -56.3 -25.5 24.8 105.2 -6.7 565 634 A A T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.561 129.4 -97.5 -90.4 5.2 21.8 102.9 -6.9 566 635 A G T < 5S+ 0 0 18 -3,-3.0 -112,-3.9 -4,-0.4 2,-0.5 0.656 85.4 119.1 108.3 13.9 19.9 105.4 -8.9 567 636 A F E < -S 453 0J 8 -5,-2.7 2,-0.5 -114,-0.2 -1,-0.3 -0.927 35.2-178.1-123.2 144.8 17.8 107.0 -6.0 568 637 A K E +S 452 0J 77 -116,-2.9 -116,-2.2 -2,-0.5 -8,-0.0 -0.973 16.6 171.9-131.5 122.4 17.6 110.4 -4.5 569 638 A L - 0 0 2 -2,-0.5 -120,-0.4 -118,-0.2 2,-0.1 -0.860 32.3-101.7-127.1 163.0 15.2 111.1 -1.5 570 639 A P >> - 0 0 14 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.484 45.0 -97.4 -79.6 155.4 14.4 113.9 0.9 571 640 A C H 3> S+ 0 0 11 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.735 121.1 54.8 -44.4 -35.2 15.7 113.9 4.4 572 641 A Q H 3> S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.895 108.5 49.2 -75.1 -37.0 12.3 112.3 5.9 573 642 A L H <> S+ 0 0 3 -3,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.926 108.7 54.1 -69.8 -24.0 12.5 109.4 3.6 574 643 A H H X S+ 0 0 12 -4,-1.6 4,-1.9 1,-0.3 5,-0.4 0.955 106.1 50.9 -71.6 -37.9 16.0 109.0 4.6 575 644 A Q H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.852 107.9 53.2 -62.6 -35.3 15.0 108.8 8.1 576 645 A V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.956 107.5 51.6 -70.3 -42.3 12.4 106.2 7.4 577 646 A I H X S+ 0 0 3 -4,-2.7 4,-3.2 2,-0.2 5,-0.2 0.912 113.3 42.6 -57.1 -48.7 15.0 103.9 5.6 578 647 A V H X S+ 0 0 9 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.919 115.8 49.4 -75.2 -42.7 17.6 104.0 8.5 579 648 A A H < S+ 0 0 25 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.919 121.7 34.1 -59.7 -38.8 14.9 103.5 11.1 580 649 A R H < S+ 0 0 5 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.833 127.3 36.3 -81.8 -30.1 13.4 100.6 9.3 581 650 A F H < S+ 0 0 0 -4,-3.2 2,-0.3 -5,-0.3 8,-0.2 0.448 103.1 74.4-110.2 9.4 16.6 99.0 7.7 582 651 A A < - 0 0 13 -4,-1.5 6,-0.3 -5,-0.2 2,-0.1 -0.812 66.6-131.8-129.6 160.5 19.3 99.5 10.4 583 652 A D B >> -V 587 0L 39 4,-2.9 3,-1.9 -2,-0.3 4,-0.7 -0.417 47.4 -74.9 -99.4 176.3 20.0 97.9 13.6 584 653 A D G >4 S+ 0 0 68 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 -0.168 127.2 47.7 -58.8 170.5 20.8 99.6 16.8 585 654 A E G 34 S- 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 -30,-0.1 0.527 124.7 -96.1 67.6 -3.5 24.3 100.8 16.3 586 655 A L G <4 S+ 0 0 20 -3,-1.9 -31,-2.9 1,-0.3 2,-0.5 0.895 78.2 143.8 69.3 36.9 23.2 102.2 12.8 587 656 A I E << -UV 554 583L 37 -4,-0.7 -4,-2.9 -3,-0.7 2,-0.6 -0.899 36.7-161.7-112.2 145.0 24.3 99.3 10.9 588 657 A I E -U 553 0L 0 -35,-1.8 -35,-0.9 -2,-0.5 -6,-0.1 -0.913 16.6-142.9-119.0 110.9 22.7 97.9 7.9 589 658 A D > - 0 0 63 -2,-0.6 4,-2.5 -8,-0.2 -37,-0.1 -0.202 30.0-105.0 -62.4 158.3 23.6 94.4 7.0 590 659 A F H > S+ 0 0 3 -39,-0.3 4,-1.4 2,-0.2 5,-0.2 0.778 120.7 58.6 -52.0 -28.3 23.9 93.5 3.3 591 660 A D H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.1 3,-0.3 0.996 108.9 42.0 -72.6 -62.3 20.7 91.6 3.5 592 661 A N H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.889 108.3 62.4 -28.5 -48.7 18.7 94.7 4.6 593 662 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.898 110.4 35.0 -56.7 -54.5 20.4 96.9 2.3 594 663 A V H X S+ 0 0 0 -4,-1.4 4,-3.6 -3,-0.3 -1,-0.2 0.911 112.2 58.9 -74.5 -37.0 19.1 95.1 -0.8 595 664 A R H X S+ 0 0 10 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.943 108.9 48.8 -52.1 -45.0 15.9 94.3 0.6 596 665 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.975 112.0 46.6 -57.9 -55.0 15.5 98.1 1.0 597 666 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.826 110.7 52.2 -63.1 -38.6 16.5 98.8 -2.4 598 667 A V H X S+ 0 0 1 -4,-3.6 4,-2.4 2,-0.2 -1,-0.2 0.958 111.5 44.6 -59.4 -55.7 14.3 96.2 -3.9 599 668 A R H X S+ 0 0 25 -4,-2.6 4,-3.7 1,-0.2 3,-0.3 0.978 111.6 55.4 -52.4 -50.0 11.1 97.4 -2.1 600 669 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.913 109.0 47.5 -51.3 -37.9 12.0 101.0 -3.0 601 670 A E H X S+ 0 0 16 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.855 116.2 43.9 -67.6 -34.6 12.2 99.9 -6.7 602 671 A I H X S+ 0 0 28 -4,-2.4 4,-3.2 -3,-0.3 5,-0.2 0.959 110.1 54.0 -75.2 -47.9 9.0 98.1 -6.6 603 672 A L H X S+ 0 0 10 -4,-3.7 4,-1.4 1,-0.3 -2,-0.2 0.905 112.1 46.3 -57.5 -33.3 7.2 100.9 -4.6 604 673 A F H X S+ 0 0 6 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.3 0.772 111.1 53.0 -73.8 -38.9 8.3 103.5 -7.3 605 674 A K H X S+ 0 0 85 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.926 105.1 51.7 -61.0 -50.5 7.2 101.2 -10.1 606 675 A I H X S+ 0 0 16 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.904 112.1 48.9 -56.5 -44.4 3.9 100.7 -8.9 607 676 A F H X S+ 0 0 10 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.948 108.4 48.9 -54.4 -59.2 3.4 104.4 -8.6 608 677 A K H < S+ 0 0 109 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.832 113.8 50.2 -61.7 -25.8 4.6 105.5 -12.0 609 678 A Q H < S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.8 42.0 -74.9 -47.7 2.4 102.9 -13.5 610 679 A L H < S+ 0 0 69 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.640 122.2 48.5 -68.3 -5.0 -0.7 103.9 -11.6 611 680 A D >< + 0 0 10 -4,-1.3 3,-3.4 1,-0.2 -1,-0.2 -0.132 66.1 149.0-130.6 41.1 0.4 107.4 -12.4 612 681 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.729 75.2 50.5 -49.5 -44.2 1.2 107.4 -16.1 613 682 A E T 3 S- 0 0 175 -3,-0.2 -4,-0.1 -4,-0.1 -2,-0.1 0.242 109.1-124.6 -69.4 11.4 0.3 110.9 -16.7 614 683 A N < + 0 0 133 -3,-3.4 -3,-0.1 -6,-0.3 -6,-0.1 0.823 50.4 159.2 46.9 46.6 2.5 112.0 -13.8 615 684 A T - 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