==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 24-JUN-04 1W1W . COMPND 2 MOLECULE: STRUCTURAL MAINTENANCE OF CHROMOSOME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.HAERING,K.NASMYTH,J.LOWE . 1535 29 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1129 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 129 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 463 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.0 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 7 0 6 0 1 2 3 5 7 0 5 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 4 1 11 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 4 4 1 12 7 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 8 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 G 0 0 37 0, 0.0 72,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.9 -68.2 95.7 45.3 2 3 A R - 0 0 29 70,-0.5 70,-2.4 237,-0.1 2,-1.1 -0.464 360.0-117.5 -90.1 159.6 -70.8 95.9 42.6 3 4 A L E +A 71 0A 5 68,-0.2 68,-0.2 1,-0.2 3,-0.1 -0.812 35.9 177.7 -94.9 95.9 -70.6 95.1 38.9 4 5 A V E - 0 0 39 66,-2.3 18,-2.9 -2,-1.1 19,-0.8 0.863 55.9 -34.7 -69.6 -39.8 -71.4 98.6 37.5 5 6 A G E -AB 70 21A 6 65,-0.7 65,-2.4 16,-0.2 2,-0.3 -0.987 49.0-131.7-171.9 172.8 -71.0 97.8 33.8 6 7 A L E -AB 69 20A 3 14,-2.4 14,-2.6 -2,-0.3 2,-0.4 -0.916 6.6-156.1-134.8 160.9 -69.1 95.9 31.1 7 8 A E E -AB 68 19A 25 61,-1.8 61,-2.5 -2,-0.3 2,-0.3 -0.957 14.5-166.7-140.9 117.7 -67.5 96.8 27.8 8 9 A L E -AB 67 18A 0 10,-2.6 10,-2.7 -2,-0.4 2,-0.4 -0.810 9.0-163.6-108.8 151.5 -67.1 94.1 25.2 9 10 A S E S-AB 66 17A 14 57,-2.1 57,-1.3 -2,-0.3 8,-0.2 -0.902 78.3 -34.7-135.1 103.1 -65.0 94.3 22.0 10 11 A N S S+ 0 0 39 6,-2.5 48,-2.7 4,-0.8 5,-0.2 0.859 89.0 157.5 52.0 38.1 -65.8 91.6 19.4 11 12 A F - 0 0 0 3,-0.8 4,-0.1 5,-0.3 -1,-0.1 0.879 63.4 -57.1 -65.4 -48.7 -66.5 89.3 22.3 12 13 A K S S- 0 0 55 45,-0.1 47,-0.5 257,-0.1 3,-0.1 -0.054 121.2 -3.5-154.9 -81.9 -68.8 86.7 20.7 13 14 A S S S+ 0 0 22 1,-0.1 256,-2.4 24,-0.1 2,-1.2 0.403 113.8 93.8-100.2 -0.0 -71.9 87.7 19.0 14 15 A Y - 0 0 0 254,-0.2 -3,-0.8 2,-0.1 -4,-0.8 -0.565 65.2-167.3 -95.3 72.8 -71.2 91.3 20.1 15 16 A R - 0 0 110 -2,-1.2 2,-0.2 -5,-0.2 -7,-0.1 -0.245 55.4 -2.1 -59.0 138.5 -69.4 92.7 17.1 16 17 A G S S- 0 0 30 2,-0.0 -6,-2.5 252,-0.0 2,-0.5 -0.500 117.8 -24.5 79.9-148.9 -67.5 96.0 17.6 17 18 A V E -B 9 0A 93 -8,-0.2 2,-0.4 -2,-0.2 -8,-0.2 -0.912 61.2-173.0-108.5 128.4 -67.7 97.8 21.0 18 19 A T E -B 8 0A 13 -10,-2.7 -10,-2.6 -2,-0.5 2,-0.5 -0.968 8.0-160.2-123.6 130.7 -70.6 97.2 23.3 19 20 A K E -B 7 0A 158 -2,-0.4 2,-0.5 -12,-0.2 -12,-0.2 -0.931 6.3-173.3-113.4 125.0 -71.3 99.0 26.6 20 21 A V E -B 6 0A 5 -14,-2.6 -14,-2.4 -2,-0.5 2,-0.5 -0.968 5.0-166.7-118.0 122.3 -73.6 97.4 29.2 21 22 A G E -B 5 0A 23 -2,-0.5 -16,-0.2 -16,-0.2 -17,-0.1 -0.921 15.7-174.3-110.7 129.6 -74.6 99.5 32.1 22 23 A F > - 0 0 1 -18,-2.9 3,-1.7 -2,-0.5 -17,-0.2 0.596 25.8-166.5 -94.0 -9.7 -76.2 98.0 35.2 23 24 A G T 3 - 0 0 27 -19,-0.8 -1,-0.2 1,-0.2 233,-0.1 -0.280 60.4 -38.0 58.1-144.7 -76.7 101.3 36.8 24 25 A E T 3 S+ 0 0 179 -3,-0.1 -1,-0.2 231,-0.1 2,-0.1 0.237 98.4 134.0 -97.5 15.1 -77.6 101.1 40.5 25 26 A S < - 0 0 8 -3,-1.7 3,-0.2 1,-0.1 211,-0.1 -0.401 35.0-174.9 -65.0 135.2 -79.8 98.0 39.9 26 27 A N S S+ 0 0 14 1,-0.3 215,-1.9 -2,-0.1 210,-0.3 0.228 84.1 41.6-113.5 9.2 -79.1 95.2 42.4 27 28 A F E S+f 241 0B 0 213,-0.2 228,-3.0 208,-0.1 229,-1.4 -0.736 76.1 169.6-155.3 93.3 -81.4 92.9 40.5 28 29 A T E -fg 242 256B 0 213,-2.4 215,-3.0 -2,-0.2 2,-0.4 -0.877 18.5-154.0-110.2 145.0 -81.0 93.2 36.8 29 30 A S E -fg 243 257B 0 227,-1.4 229,-2.6 -2,-0.4 2,-0.7 -0.981 7.4-146.1-120.7 132.4 -82.5 90.7 34.3 30 31 A I E +fg 244 258B 0 213,-3.1 215,-1.2 -2,-0.4 2,-0.3 -0.882 33.2 173.4 -97.3 113.2 -81.0 90.1 30.9 31 32 A I E + g 0 259B 0 227,-2.0 229,-2.9 -2,-0.7 215,-0.1 -0.851 14.0 111.1-125.2 160.9 -83.8 89.4 28.6 32 33 A G - 0 0 0 213,-0.4 229,-0.1 -2,-0.3 3,-0.1 -0.820 60.7 -56.4 156.8 164.6 -84.4 88.9 24.9 33 34 A P S > S- 0 0 6 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.009 71.1 -70.2 -62.1 169.4 -85.4 86.3 22.3 34 35 A N T 3 S+ 0 0 19 1,-0.3 517,-0.1 2,-0.1 516,-0.0 -0.322 120.1 11.8 -60.6 138.2 -83.7 82.9 21.8 35 36 A G T 3 S+ 0 0 14 -3,-0.1 -1,-0.3 1,-0.1 226,-0.1 0.525 87.5 123.4 71.2 6.1 -80.3 83.2 20.2 36 37 A S S < S- 0 0 0 -3,-1.7 225,-0.2 224,-0.1 234,-0.2 0.794 87.8 -96.6 -70.4 -28.4 -80.1 87.0 20.8 37 38 A G S > S+ 0 0 4 -4,-0.3 4,-1.0 223,-0.1 -24,-0.1 0.665 79.2 132.6 121.2 24.9 -76.9 86.7 22.7 38 39 A K H > S+ 0 0 12 -5,-0.3 4,-1.4 2,-0.2 3,-0.4 0.937 78.5 45.0 -70.7 -49.8 -77.8 86.6 26.4 39 40 A S H > S+ 0 0 28 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.865 107.3 60.8 -65.0 -31.6 -75.7 83.7 27.5 40 41 A N H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.895 100.7 56.7 -60.3 -34.6 -72.8 85.1 25.5 41 42 A M H X S+ 0 0 0 -4,-1.0 4,-1.3 -3,-0.4 -1,-0.2 0.921 108.1 44.2 -61.4 -44.8 -73.2 88.1 27.8 42 43 A M H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.865 106.9 61.1 -67.7 -36.0 -72.6 85.8 30.8 43 44 A D H X S+ 0 0 39 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.873 104.1 50.4 -57.8 -34.5 -69.8 84.2 29.0 44 45 A A H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.2 -1,-0.2 0.851 108.9 51.1 -73.0 -34.0 -68.2 87.6 28.9 45 46 A I H X S+ 0 0 1 -4,-1.3 4,-1.4 1,-0.2 -2,-0.2 0.944 110.9 46.5 -69.3 -45.4 -68.7 88.1 32.7 46 47 A S H <>S+ 0 0 19 -4,-2.8 5,-0.9 1,-0.2 -1,-0.2 0.733 111.0 57.9 -68.8 -17.3 -67.1 84.7 33.5 47 48 A F H ><5S+ 0 0 4 -4,-0.8 3,-0.5 -5,-0.3 4,-0.2 0.948 103.7 46.4 -77.1 -51.0 -64.3 85.7 31.1 48 49 A V H 3<5S+ 0 0 1 -4,-2.1 2,-1.0 1,-0.3 -2,-0.2 0.774 95.6 76.7 -63.2 -25.2 -63.2 89.0 32.7 49 50 A L T 3<5S- 0 0 5 -4,-1.4 -1,-0.3 -5,-0.2 66,-0.2 -0.064 117.0-109.6 -80.0 41.9 -63.2 87.2 36.1 50 51 A G T < 5 0 0 4 -2,-1.0 -2,-0.1 -3,-0.5 -3,-0.1 0.485 360.0 360.0 43.2 24.3 -59.9 85.6 34.9 51 52 A V < 0 0 76 -5,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.789 360.0 360.0 -89.9 360.0 -61.1 82.0 34.3 52 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 53 62 A L >> 0 0 104 0, 0.0 3,-3.4 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -66.9 -60.8 80.5 24.4 54 63 A K G >4 + 0 0 96 1,-0.3 3,-0.8 2,-0.2 34,-0.1 0.818 360.0 66.3 -43.6 -36.8 -60.3 81.1 20.7 55 64 A D G 34 S+ 0 0 73 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.515 88.4 69.4 -66.2 -5.0 -64.1 80.7 20.3 56 65 A L G <4 S+ 0 0 26 -3,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.901 76.2 88.5 -81.0 -43.7 -64.6 83.8 22.2 57 66 A I S << S- 0 0 8 -3,-0.8 -46,-0.2 -4,-0.6 -47,-0.1 -0.336 92.8-106.1 -57.4 130.4 -63.2 86.1 19.5 58 67 A Y - 0 0 21 -48,-2.7 2,-0.3 -49,-0.2 -45,-0.1 -0.159 37.5-158.4 -56.6 150.2 -66.1 87.1 17.3 59 68 A R 0 0 86 -47,-0.5 -44,-0.1 -4,-0.1 -1,-0.1 -0.877 360.0 360.0-130.0 162.0 -66.4 85.6 13.8 60 69 A G 0 0 107 -2,-0.3 207,-0.0 2,-0.0 0, 0.0 -0.962 360.0 360.0-128.6 360.0 -68.2 86.4 10.5 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 89 A P 0 0 92 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 84.5 -61.1 90.4 14.2 63 90 A Q + 0 0 119 1,-0.1 23,-1.6 22,-0.0 2,-0.3 0.671 360.0 20.4 -82.4 -18.8 -57.7 89.2 15.6 64 91 A S E - C 0 85A 53 21,-0.2 2,-0.3 22,-0.1 21,-0.2 -0.976 58.8-159.4-148.0 160.2 -58.5 89.9 19.3 65 92 A A E - C 0 84A 0 19,-2.1 19,-2.7 -2,-0.3 2,-0.3 -0.979 12.2-175.0-138.6 148.5 -61.3 90.3 21.7 66 93 A Y E -AC 9 83A 46 -57,-1.3 -57,-2.1 -2,-0.3 2,-0.4 -0.951 11.7-155.1-142.6 164.5 -61.5 91.9 25.1 67 94 A V E -AC 8 82A 0 15,-1.9 15,-1.6 -2,-0.3 2,-0.4 -0.997 7.0-159.5-142.2 136.0 -63.9 92.5 28.0 68 95 A K E -AC 7 81A 37 -61,-2.5 -61,-1.8 -2,-0.4 2,-0.4 -0.939 1.9-164.9-118.5 138.8 -63.9 95.2 30.6 69 96 A A E -AC 6 80A 5 11,-3.1 11,-3.2 -2,-0.4 2,-0.8 -0.969 11.7-148.7-121.3 136.1 -65.6 95.0 34.0 70 97 A F E -AC 5 79A 42 -65,-2.4 -66,-2.3 -2,-0.4 -65,-0.7 -0.859 21.8-168.8-109.7 95.1 -66.2 98.1 36.1 71 98 A Y E -AC 3 78A 9 7,-2.5 7,-2.2 -2,-0.8 2,-1.0 -0.636 19.3-136.1 -85.8 138.5 -66.0 96.9 39.7 72 99 A Q E + C 0 77A 71 -70,-2.4 2,-1.0 -2,-0.3 -70,-0.5 -0.759 29.0 172.4 -98.1 89.7 -67.1 99.2 42.5 73 100 A K E > - C 0 76A 51 3,-1.1 3,-0.8 -2,-1.0 2,-0.2 -0.772 61.6 -64.1-100.7 90.2 -64.4 98.7 45.2 74 101 A G T 3 S- 0 0 58 -2,-1.0 0, 0.0 1,-0.2 0, 0.0 -0.499 111.9 -16.6 72.3-135.1 -65.3 101.3 47.8 75 102 A N T 3 S+ 0 0 174 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.875 126.3 75.4 -71.8 -38.7 -64.9 104.9 46.6 76 103 A K E < S-C 73 0A 118 -3,-0.8 -3,-1.1 -4,-0.1 2,-0.7 -0.445 73.9-139.5 -80.3 149.1 -62.9 103.9 43.6 77 104 A L E -C 72 0A 82 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.920 22.7-154.3-108.0 106.7 -64.2 102.3 40.5 78 105 A V E -C 71 0A 0 -7,-2.2 -7,-2.5 -2,-0.7 2,-0.6 -0.660 2.9-146.4 -87.2 136.0 -61.8 99.6 39.3 79 106 A E E -C 70 0A 39 -2,-0.3 16,-2.9 -9,-0.2 2,-0.5 -0.892 11.8-167.4-103.8 117.0 -61.6 98.6 35.7 80 107 A L E -CD 69 94A 1 -11,-3.2 -11,-3.1 -2,-0.6 2,-0.3 -0.870 11.0-177.8-100.9 132.3 -60.8 94.9 35.1 81 108 A M E -CD 68 93A 17 12,-2.4 12,-1.6 -2,-0.5 2,-0.3 -0.955 11.0-175.6-130.5 151.1 -59.8 94.0 31.5 82 109 A R E -CD 67 92A 5 -15,-1.6 -15,-1.9 -2,-0.3 2,-0.4 -0.988 7.3-164.5-145.7 138.0 -58.9 90.7 29.8 83 110 A I E -CD 66 91A 30 8,-2.6 8,-1.8 -2,-0.3 2,-0.4 -0.949 7.6-163.0-128.3 143.9 -57.8 90.2 26.3 84 111 A I E -CD 65 90A 0 -19,-2.7 -19,-2.1 -2,-0.4 6,-0.2 -0.997 10.6-155.9-124.7 127.6 -57.6 87.1 24.0 85 112 A S E > -C 64 0A 42 4,-1.5 3,-2.1 -2,-0.4 -21,-0.2 -0.562 37.8-102.0 -94.2 165.4 -55.5 87.2 20.9 86 113 A R T 3 S+ 0 0 133 -23,-1.6 -22,-0.1 1,-0.3 -1,-0.1 0.752 121.6 63.7 -61.4 -19.3 -56.3 84.8 18.1 87 114 A N T 3 S- 0 0 109 -24,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.588 119.7-107.3 -79.3 -11.1 -53.4 82.6 19.2 88 115 A G S < S+ 0 0 22 -3,-2.1 2,-0.5 1,-0.3 -2,-0.1 0.253 71.9 142.8 104.4 -11.1 -55.0 82.0 22.6 89 116 A D - 0 0 110 -5,-0.1 -4,-1.5 1,-0.0 -1,-0.3 -0.491 36.6-154.4 -68.4 115.2 -52.8 84.2 24.6 90 117 A T E -D 84 0A 42 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.589 8.2-166.3 -90.0 155.2 -54.7 86.0 27.3 91 118 A S E -D 83 0A 45 -8,-1.8 -8,-2.6 -2,-0.2 2,-0.2 -0.997 5.1-154.0-139.3 137.3 -53.6 89.3 28.8 92 119 A Y E -DE 82 99A 4 7,-0.6 7,-1.1 -2,-0.3 2,-0.3 -0.719 10.4-177.0-114.3 164.2 -54.9 90.9 31.9 93 120 A K E -DE 81 98A 56 -12,-1.6 -12,-2.4 -2,-0.2 2,-0.5 -0.947 14.0-158.1-159.5 139.2 -55.1 94.6 33.1 94 121 A I E > S-DE 80 97A 29 3,-2.6 3,-1.9 -2,-0.3 -14,-0.2 -0.977 82.8 -20.4-124.3 120.6 -56.1 96.5 36.2 95 122 A D T 3 S- 0 0 96 -16,-2.9 -15,-0.1 -2,-0.5 -1,-0.1 0.719 128.3 -51.4 57.6 24.1 -57.1 100.2 35.9 96 123 A G T 3 S+ 0 0 49 -17,-0.4 2,-0.4 1,-0.3 -1,-0.3 0.124 115.7 106.6 104.9 -23.0 -55.1 100.3 32.6 97 124 A K E < S-E 94 0A 160 -3,-1.9 -3,-2.6 1,-0.1 -1,-0.3 -0.768 72.6-113.1 -95.5 135.5 -51.8 98.8 33.8 98 125 A T E -E 93 0A 88 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.265 31.7-172.6 -64.7 149.8 -50.8 95.3 32.7 99 126 A V E -E 92 0A 12 -7,-1.1 -7,-0.6 4,-0.0 5,-0.1 -0.991 30.3-109.6-145.6 132.6 -50.6 92.6 35.3 100 127 A S >> - 0 0 65 -2,-0.4 4,-2.1 1,-0.1 3,-0.9 -0.251 45.7 -99.0 -53.8 153.7 -49.3 89.1 34.9 101 128 A Y H 3> S+ 0 0 118 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.923 131.0 57.7 -41.9 -41.9 -52.2 86.6 35.0 102 129 A K H 3> S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.877 103.1 47.3 -58.6 -43.7 -50.8 86.3 38.6 103 130 A D H <4 S+ 0 0 73 -3,-0.9 4,-0.5 2,-0.2 -1,-0.2 0.871 113.6 49.4 -66.8 -34.7 -51.2 90.0 39.5 104 131 A Y H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.852 107.9 55.0 -70.1 -36.7 -54.8 90.0 38.1 105 132 A S H 3X S+ 0 0 37 -4,-2.4 4,-1.6 -5,-0.4 -1,-0.2 0.877 101.4 56.7 -65.8 -36.4 -55.5 86.9 40.1 106 133 A I H 3X S+ 0 0 80 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.697 108.9 49.3 -70.5 -12.5 -54.5 88.6 43.3 107 134 A F H <> S+ 0 0 19 -3,-0.7 4,-0.8 -4,-0.5 -2,-0.2 0.894 109.3 47.4 -87.4 -46.2 -57.1 91.2 42.5 108 135 A L H <>S+ 0 0 4 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.760 113.7 52.8 -63.9 -22.9 -60.0 88.9 41.8 109 136 A E H ><5S+ 0 0 100 -4,-1.6 3,-1.5 -5,-0.2 -1,-0.2 0.898 102.6 53.2 -80.0 -43.6 -59.0 87.1 45.0 110 137 A N H 3<5S+ 0 0 117 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.655 109.6 52.7 -65.9 -16.0 -59.0 90.0 47.4 111 138 A E T 3<5S- 0 0 27 -4,-0.8 -1,-0.3 -38,-0.0 -2,-0.1 -0.087 114.7-115.4-109.8 30.3 -62.5 90.8 46.1 112 139 A N T < 5S+ 0 0 42 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.759 72.1 140.0 38.9 34.2 -63.8 87.3 46.8 113 140 A I < + 0 0 0 -5,-2.5 2,-3.0 -6,-0.2 -1,-0.2 -0.335 22.7 168.3 -96.0 47.7 -64.4 86.8 43.1 114 141 A L >> + 0 0 43 -2,-0.4 3,-1.1 1,-0.2 4,-0.9 -0.372 9.2 178.6 -64.1 71.1 -63.0 83.3 43.6 115 142 A I T 34 + 0 0 25 -2,-3.0 -1,-0.2 1,-0.2 -6,-0.0 0.316 64.5 81.5 -61.8 10.8 -64.2 82.3 40.2 116 143 A K T 34 S+ 0 0 161 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.911 92.5 39.1 -85.3 -50.0 -62.6 78.9 41.0 117 144 A A T <4 S- 0 0 48 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.1 0.773 92.6-156.1 -68.6 -23.0 -65.5 77.3 43.1 118 145 A K >< + 0 0 118 -4,-0.9 3,-2.0 1,-0.2 -3,-0.1 0.620 45.3 141.4 56.9 13.2 -67.6 79.0 40.4 119 146 A N T 3 + 0 0 36 -5,-0.3 83,-0.2 1,-0.3 -1,-0.2 0.351 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134 B F H X S+ 0 0 27 -4,-2.0 4,-0.9 1,-0.2 3,-0.4 0.950 119.1 34.8 -48.9 -52.6 -96.4 43.2 18.7 390 135 B L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.2 0.928 112.6 58.9 -66.3 -48.7 -95.1 46.7 19.3 391 136 B E H 3<5S+ 0 0 91 -4,-3.6 3,-0.4 1,-0.3 -1,-0.2 0.721 106.3 52.5 -55.9 -20.5 -92.2 46.4 17.0 392 137 B N H 3<5S+ 0 0 111 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.770 103.4 53.4 -88.1 -27.5 -94.7 45.7 14.3 393 138 B E T <<5S- 0 0 45 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.231 125.3-101.9 -89.5 15.4 -96.8 48.8 15.0 394 139 B N T 5S+ 0 0 50 -3,-0.4 2,-1.0 -4,-0.2 -3,-0.2 0.683 81.2 135.5 72.9 22.3 -93.7 50.8 14.7 395 140 B I < - 0 0 1 -5,-2.3 2,-1.2 144,-0.1 -1,-0.2 -0.828 33.8-172.3-101.4 93.2 -93.1 51.3 18.4 396 141 B L >> - 0 0 21 -2,-1.0 4,-2.2 1,-0.2 3,-0.5 -0.715 10.7-178.7 -90.3 90.4 -89.4 50.6 18.6 397 142 B I T 34 S+ 0 0 13 -2,-1.2 -65,-0.4 1,-0.2 -1,-0.2 0.506 80.0 66.9 -66.7 -1.2 -88.8 50.5 22.4 398 143 B K T 34 S+ 0 0 110 -67,-0.1 -1,-0.2 28,-0.1 29,-0.1 0.905 108.4 31.0 -82.8 -51.8 -85.2 49.9 21.3 399 144 B A T <4 S- 0 0 19 -3,-0.5 -2,-0.2 27,-0.2 28,-0.1 0.797 84.8-157.5 -77.9 -29.6 -84.5 53.3 19.7 400 145 B K >< + 0 0 62 -4,-2.2 3,-2.7 1,-0.1 -3,-0.1 0.595 42.1 145.8 59.9 10.2 -86.9 55.1 22.1 401 146 B N T 3 + 0 0 16 -5,-0.4 -1,-0.1 1,-0.3 138,-0.1 0.299 63.4 55.7 -61.1 8.0 -87.0 57.6 19.3 402 147 B F T 3 S+ 0 0 0 -6,-0.2 141,-1.8 1,-0.1 2,-0.5 0.329 97.9 69.3-120.2 1.0 -90.6 58.4 20.0 403 148 B L E < -t 543 0F 12 -3,-2.7 2,-0.7 139,-0.2 141,-0.2 -0.970 56.5-173.4-123.5 116.7 -90.2 59.2 23.7 404 149 B V E -t 544 0F 6 139,-2.2 141,-2.5 -2,-0.5 143,-0.2 -0.905 19.8-150.8-111.9 104.6 -88.4 62.4 24.7 405 150 B F > - 0 0 28 -2,-0.7 3,-2.6 139,-0.2 4,-0.3 -0.380 36.0 -72.6 -73.2 152.4 -87.9 62.3 28.5 406 151 B Q T 3 S+ 0 0 56 1,-0.3 -1,-0.2 2,-0.1 141,-0.0 -0.099 119.3 10.0 -46.0 126.1 -87.8 65.5 30.7 407 152 B G T 3 S+ 0 0 72 -3,-0.1 -1,-0.3 139,-0.1 4,-0.2 0.385 108.0 92.1 83.9 -1.6 -84.5 67.3 30.3 408 153 B D X> + 0 0 86 -3,-2.6 4,-0.8 1,-0.1 3,-0.7 0.540 50.6 93.0-103.1 -6.8 -83.4 65.2 27.3 409 154 B V T >4 S+ 0 0 13 -4,-0.3 3,-1.1 1,-0.2 4,-0.5 0.912 83.2 53.5 -55.3 -48.6 -84.6 67.1 24.2 410 155 B E T >> S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 3,-1.1 0.796 98.9 65.6 -59.3 -28.2 -81.4 69.1 23.6 411 156 B Q H <> S+ 0 0 101 -3,-0.7 4,-2.2 1,-0.3 -1,-0.2 0.836 83.3 72.3 -64.1 -34.4 -79.2 66.0 23.5 412 157 B I H << S+ 0 0 24 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.837 114.8 27.4 -50.2 -31.4 -80.9 64.6 20.4 413 158 B A H <4 S+ 0 0 4 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.892 121.7 51.8 -94.0 -49.8 -79.0 67.4 18.6 414 159 B A H < S+ 0 0 39 -4,-2.6 -2,-0.2 100,-0.1 -3,-0.2 0.466 82.8 112.6 -67.9 -6.0 -76.0 67.8 21.0 415 160 B Q S < S- 0 0 27 -4,-2.2 -3,-0.0 -5,-0.2 0, 0.0 -0.220 78.0 -93.0 -64.2 164.6 -75.1 64.2 21.0 416 161 B S > - 0 0 42 1,-0.1 4,-3.0 85,-0.1 5,-0.3 -0.418 28.9-112.2 -78.7 155.3 -71.8 63.2 19.4 417 162 B P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 83,-1.0 0.867 121.3 53.6 -53.6 -37.1 -71.6 62.1 15.7 418 163 B V H > S+ 0 0 97 81,-0.2 4,-2.4 2,-0.2 5,-0.1 0.934 111.1 45.7 -63.0 -45.5 -70.6 58.6 16.9 419 164 B E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 111.5 50.9 -63.4 -44.4 -73.7 58.6 19.1 420 165 B L H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.893 110.9 50.4 -59.7 -40.9 -75.9 59.9 16.3 421 166 B S H X S+ 0 0 3 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.942 107.8 52.3 -61.7 -46.1 -74.5 57.1 14.1 422 167 B R H X S+ 0 0 134 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.878 109.2 50.7 -56.9 -41.5 -75.3 54.6 16.8 423 168 B M H X S+ 0 0 44 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.905 109.0 49.8 -64.1 -44.8 -78.9 55.8 16.9 424 169 B F H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.4 0.943 111.8 48.8 -58.3 -46.6 -79.3 55.5 13.2 425 170 B E H X S+ 0 0 5 -4,-2.9 6,-1.9 1,-0.2 4,-1.4 0.869 114.7 47.3 -59.2 -35.8 -77.9 52.1 13.5 426 171 B E H < S+ 0 0 21 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.861 114.8 43.3 -75.3 -38.2 -80.4 51.6 16.3 427 172 B V H < S+ 0 0 8 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.896 116.7 44.9 -77.5 -38.5 -83.4 53.0 14.4 428 173 B S H < S- 0 0 8 -4,-3.1 -2,-0.2 -5,-0.2 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1056 137 D N T 3<5S+ 0 0 119 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.696 105.5 54.8 -60.1 -18.6 -116.6 -16.1 39.4 1057 138 D E T < 5S- 0 0 32 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.186 123.5-107.5 -99.5 14.6 -114.4 -13.4 41.0 1058 139 D N T < 5S+ 0 0 47 -3,-2.6 2,-0.9 1,-0.2 -3,-0.2 0.721 80.1 133.4 64.8 22.9 -113.4 -12.1 37.6 1059 140 D I < - 0 0 1 -5,-2.7 2,-1.4 144,-0.1 -1,-0.2 -0.841 40.2-165.3-105.3 94.7 -109.9 -13.5 38.1 1060 141 D L > + 0 0 6 -2,-0.9 4,-3.0 1,-0.2 5,-0.4 -0.628 15.7 177.5 -84.9 90.1 -109.2 -15.3 34.8 1061 142 D I T 4 S+ 0 0 10 -2,-1.4 -65,-0.3 -10,-0.2 -1,-0.2 0.633 84.4 63.4 -64.5 -7.9 -106.2 -17.5 35.6 1062 143 D K T 4 S+ 0 0 68 28,-0.1 -1,-0.2 -11,-0.1 29,-0.1 0.961 112.7 26.7 -75.2 -62.9 -106.8 -18.5 32.0 1063 144 D A T 4 S- 0 0 19 27,-0.2 -2,-0.2 1,-0.1 28,-0.1 0.774 84.1-153.7 -74.6 -31.5 -106.1 -15.1 30.4 1064 145 D K >< + 0 0 50 -4,-3.0 3,-2.2 1,-0.1 -3,-0.1 0.653 43.0 146.8 62.6 14.6 -103.7 -13.9 33.1 1065 146 D N T 3 + 0 0 14 -5,-0.4 -1,-0.1 1,-0.3 133,-0.1 0.317 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166 D S H X S+ 0 0 4 -4,-1.8 4,-1.4 -5,-0.3 3,-0.4 0.928 107.9 55.2 -67.0 -41.6 -107.5 -11.7 19.0 1086 167 D R H X S+ 0 0 140 -4,-2.5 4,-1.3 1,-0.2 3,-0.4 0.903 105.5 54.3 -55.8 -41.2 -106.7 -15.0 20.7 1087 168 D M H X S+ 0 0 44 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.850 101.2 58.0 -62.7 -38.0 -106.6 -13.0 24.0 1088 169 D F H X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.4 5,-0.4 0.848 102.4 53.3 -63.9 -34.9 -110.1 -11.6 23.5 1089 170 D E H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.4 6,-0.5 0.931 107.1 54.6 -63.6 -42.2 -111.7 -15.0 23.3 1090 171 D E H < S+ 0 0 21 -4,-1.3 -27,-0.2 2,-0.2 -2,-0.2 0.863 114.0 37.5 -57.3 -45.8 -110.0 -15.8 26.6 1091 172 D V H < S+ 0 0 8 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.985 122.5 39.9 -72.2 -63.2 -111.4 -12.9 28.6 1092 173 D S H < S- 0 0 8 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.854 107.2-119.8 -54.7 -43.7 -114.9 -12.7 27.1 1093 174 D G S >< S+ 0 0 7 -4,-2.5 2,-2.7 -5,-0.4 3,-2.4 0.207 74.8 127.8 117.9 -13.5 -115.4 -16.5 27.0 1094 175 D S T 3 + 0 0 0 -6,-0.3 -4,-0.2 1,-0.3 -5,-0.1 -0.025 59.8 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