==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-AUG-02 1MLV . COMPND 2 MOLECULE: RIBULOSE-1,5 BIPHOSPHATE CARBOXYLASE/OXYGENASE LA . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR R.C.TRIEVEL,B.M.BEACH,L.M.A.DIRK,R.L.HOUTZ,J.H.HURLEY . 1305 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 856 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 7.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 70 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 455 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 6 8 1 6 5 4 1 1 2 0 6 0 0 0 0 1 2 0 0 3 0 0 0 0 0 3 0 RESIDUES PER ALPHA HELIX . 0 3 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 . 11 0 0 2 3 3 3 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 . 6 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 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 50 A L 0 0 129 0, 0.0 26,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.1 68.9 136.0 37.5 2 51 A S > - 0 0 47 1,-0.2 4,-1.7 2,-0.0 3,-0.2 -0.904 360.0-128.4-165.5 134.8 66.0 133.7 38.3 3 52 A P H >> S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 3,-1.0 0.937 108.7 47.4 -44.9 -69.4 62.1 133.8 37.7 4 53 A A H 3> S+ 0 0 38 1,-0.3 4,-1.1 2,-0.2 5,-0.2 0.825 107.3 59.5 -44.6 -40.9 61.1 133.0 41.3 5 54 A V H 3> S+ 0 0 14 -3,-0.2 4,-2.8 1,-0.2 3,-0.3 0.925 110.5 40.7 -57.7 -45.3 63.5 135.6 42.6 6 55 A Q H X S+ 0 0 47 -4,-2.8 3,-1.7 -5,-0.2 4,-0.9 0.971 113.5 44.9 -62.3 -53.0 61.3 140.7 44.7 10 59 A K H >X S+ 0 0 112 -4,-3.0 4,-2.6 1,-0.3 3,-1.9 0.944 104.6 61.5 -54.9 -51.5 58.4 142.4 43.0 11 60 A W H 34 S+ 0 0 25 -4,-0.5 -1,-0.3 -5,-0.4 6,-0.2 0.648 103.6 54.0 -50.8 -15.4 55.9 141.0 45.5 12 61 A L H <4>S+ 0 0 2 -3,-1.7 6,-0.9 -4,-0.5 5,-0.5 0.737 108.2 45.6 -90.7 -29.9 58.0 143.0 48.0 13 62 A Q H X<5S+ 0 0 75 -3,-1.9 3,-0.7 -4,-0.9 -2,-0.2 0.826 111.7 54.4 -76.8 -34.0 57.7 146.3 46.2 14 63 A E T 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.353 106.7 51.6 -81.3 2.8 54.0 145.6 45.7 15 64 A E T 3 5S- 0 0 65 -3,-0.3 -1,-0.2 -5,-0.3 -2,-0.2 0.415 116.8-113.7-113.3 -9.7 53.6 145.1 49.4 16 65 A G T < 5S+ 0 0 56 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.149 86.4 113.7 97.0 -17.9 55.3 148.5 50.1 17 66 A V < + 0 0 14 -5,-0.5 2,-0.7 -6,-0.2 -4,-0.2 0.954 64.2 48.0 -50.6 -81.9 58.3 146.7 51.7 18 67 A I S S- 0 0 14 -6,-0.9 -2,-0.2 -9,-0.2 -1,-0.1 -0.553 80.0-164.5 -70.6 111.0 61.3 147.3 49.5 19 68 A T - 0 0 79 -2,-0.7 3,-0.3 2,-0.1 -1,-0.1 0.221 35.2 -94.1 -77.9-157.2 61.3 151.0 48.8 20 69 A A S S+ 0 0 108 1,-0.2 2,-0.5 3,-0.0 -1,-0.1 0.722 118.8 54.3 -93.6 -27.2 63.2 152.9 46.1 21 70 A K S S+ 0 0 165 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.517 70.6 121.5-108.4 63.9 66.1 153.7 48.4 22 71 A T - 0 0 21 -2,-0.5 2,-1.9 -3,-0.3 25,-0.1 -0.908 52.9-149.2-125.1 97.5 67.1 150.3 49.8 23 72 A P + 0 0 20 0, 0.0 16,-0.2 0, 0.0 2,-0.1 -0.469 65.5 84.8 -69.6 82.3 70.8 149.6 48.9 24 73 A V - 0 0 0 -2,-1.9 13,-0.2 13,-0.3 2,-0.2 -0.466 50.5-171.5 174.8 106.0 70.6 145.9 48.5 25 74 A K E -A 36 0A 98 11,-2.6 11,-2.2 -2,-0.1 2,-0.6 -0.493 30.2-115.5 -96.3 172.0 69.6 143.6 45.7 26 75 A A E +A 35 0A 7 9,-0.2 2,-0.2 -2,-0.2 9,-0.2 -0.936 46.2 161.3-113.3 111.2 69.2 139.9 45.9 27 76 A S E -A 34 0A 26 7,-1.7 7,-2.1 -2,-0.6 2,-0.6 -0.736 44.3 -89.9-124.1 173.2 71.7 137.9 43.8 28 77 A V E +A 33 0A 103 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.757 48.1 175.5 -88.5 121.7 73.1 134.4 43.5 29 78 A V E > -A 32 0A 25 3,-2.3 3,-2.6 -2,-0.6 7,-0.0 -0.755 50.6 -92.4-120.3 167.3 76.2 133.9 45.7 30 79 A T T 3 S+ 0 0 143 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.810 128.7 53.8 -48.7 -30.9 78.4 130.9 46.5 31 80 A E T 3 S- 0 0 21 1,-0.1 2,-0.7 1277,-0.0 -1,-0.3 0.022 121.7-105.2 -95.4 28.5 76.0 130.4 49.5 32 81 A G E < S+A 29 0A 32 -3,-2.6 -3,-2.3 1276,-0.2 2,-0.4 -0.791 85.4 9.7 96.0-112.2 72.8 130.4 47.4 33 82 A L E S+A 28 0A 22 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.862 75.4 157.6-107.3 143.3 70.8 133.5 47.6 34 83 A G E -A 27 0A 0 -7,-2.1 -7,-1.7 -2,-0.4 2,-0.6 -0.962 42.9 -96.1-156.5 174.3 72.1 136.7 49.3 35 84 A L E -A 26 0A 0 188,-0.5 188,-3.0 -2,-0.3 2,-0.6 -0.881 32.4-168.3-103.2 116.2 71.9 140.4 49.7 36 85 A V E -AB 25 222A 15 -11,-2.2 -11,-2.6 -2,-0.6 186,-0.2 -0.914 31.5-110.5-106.4 120.2 74.5 142.4 47.6 37 86 A A - 0 0 2 184,-1.7 183,-2.1 -2,-0.6 -13,-0.3 -0.229 17.3-153.7 -51.0 120.5 74.8 146.1 48.5 38 87 A L S S- 0 0 82 181,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.664 81.0 -4.2 -70.8 -15.3 73.4 148.2 45.6 39 88 A K S S- 0 0 139 -16,-0.2 -1,-0.1 179,-0.1 178,-0.1 -0.971 107.5 -48.4-166.1 167.4 75.8 150.8 46.8 40 89 A D - 0 0 108 -2,-0.3 2,-0.3 179,-0.1 178,-0.2 -0.190 57.9-172.9 -48.4 124.2 78.3 151.6 49.5 41 90 A I - 0 0 9 176,-3.6 2,-0.3 -4,-0.1 176,-0.1 -0.726 5.8-149.1-114.3 166.7 76.7 150.8 52.9 42 91 A S > - 0 0 58 -2,-0.3 3,-2.5 174,-0.2 171,-0.2 -0.955 34.8 -62.2-140.8 160.2 78.2 151.5 56.3 43 92 A R T 3 S+ 0 0 164 -2,-0.3 172,-0.1 1,-0.3 173,-0.1 -0.042 119.9 5.7 -40.9 127.6 78.2 150.2 59.9 44 93 A N T 3 S+ 0 0 76 169,-2.4 -1,-0.3 1,-0.2 2,-0.2 0.493 89.3 150.4 72.6 7.9 74.8 150.2 61.4 45 94 A D E < -C 213 0B 73 -3,-2.5 168,-2.4 168,-0.6 2,-0.5 -0.470 54.2-111.0 -70.4 139.1 73.0 151.3 58.2 46 95 A V E -C 212 0B 71 166,-0.2 166,-0.3 1,-0.2 3,-0.1 -0.602 33.4-176.4 -74.6 120.9 69.4 150.0 57.9 47 96 A I E - 0 0 1 164,-2.8 2,-0.3 -2,-0.5 165,-0.2 0.863 59.6 -28.9 -84.4 -41.5 69.3 147.5 55.1 48 97 A L E -C 211 0B 3 163,-1.4 163,-2.2 -30,-0.1 2,-0.3 -0.976 50.9-142.3-167.3 169.9 65.6 146.8 55.0 49 98 A Q E -C 210 0B 70 -2,-0.3 161,-0.2 161,-0.2 155,-0.1 -0.995 9.6-163.0-148.8 143.0 62.4 146.6 57.0 50 99 A V E -C 209 0B 2 159,-2.0 159,-4.3 -2,-0.3 2,-0.2 -0.986 23.3-113.4-133.4 140.9 59.3 144.3 57.1 51 100 A P E > -C 208 0B 18 0, 0.0 3,-4.3 0, 0.0 4,-0.3 -0.453 21.5-126.2 -72.0 133.8 55.8 144.6 58.5 52 101 A K G > S+ 0 0 82 155,-0.7 3,-1.2 1,-0.3 156,-0.1 0.729 109.4 79.0 -50.7 -18.9 54.6 142.4 61.4 53 102 A R G 3 S+ 0 0 143 154,-0.3 -1,-0.3 1,-0.3 155,-0.0 0.770 95.4 45.8 -58.6 -25.8 51.9 141.7 58.9 54 103 A L G < S+ 0 0 2 -3,-4.3 -1,-0.3 2,-0.0 -2,-0.2 0.440 86.7 109.0-101.6 -2.0 54.4 139.4 57.3 55 104 A W < - 0 0 14 -3,-1.2 129,-0.1 -4,-0.3 127,-0.1 0.149 55.3-148.9 -58.3-171.6 55.9 137.5 60.2 56 105 A I + 0 0 0 125,-0.2 27,-0.1 127,-0.1 -1,-0.1 -0.465 43.7 137.3-162.6 72.3 55.1 133.8 60.8 57 106 A N S >> S- 0 0 19 125,-0.1 4,-1.6 126,-0.1 3,-1.5 -0.667 73.0 -81.5-119.8 175.1 55.2 133.3 64.6 58 107 A P H 3> S+ 0 0 35 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.710 129.9 56.2 -49.0 -22.3 53.1 131.4 67.2 59 108 A D H 3> S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 8,-0.1 0.844 101.9 54.2 -79.5 -35.3 50.7 134.4 67.1 60 109 A A H <4 S+ 0 0 26 -3,-1.5 -1,-0.2 1,-0.2 7,-0.1 0.899 112.3 43.7 -65.0 -39.7 50.2 134.0 63.4 61 110 A V H >< S+ 0 0 4 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.839 114.6 49.5 -74.2 -33.6 49.2 130.4 63.9 62 111 A A H 3< S+ 0 0 58 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.894 110.8 50.6 -70.4 -38.9 47.0 131.2 66.9 63 112 A A T 3< S+ 0 0 92 -4,-2.6 -1,-0.3 4,-0.1 2,-0.2 -0.060 106.0 78.0 -88.4 31.8 45.3 134.0 64.9 64 113 A S S X S- 0 0 27 -3,-1.0 3,-1.7 -5,-0.0 4,-0.4 -0.773 101.6 -84.7-131.4 178.5 44.6 131.7 62.0 65 114 A E T 3 S+ 0 0 98 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.745 126.8 42.6 -56.6 -28.0 42.2 128.9 61.1 66 115 A I T 3> S+ 0 0 0 -5,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.361 83.2 97.7-102.9 5.0 44.2 126.3 63.0 67 116 A G T <4 S+ 0 0 7 -3,-1.7 4,-0.2 1,-0.2 -1,-0.2 0.858 81.0 56.3 -60.4 -35.0 45.1 128.3 66.1 68 117 A R T >4 S+ 0 0 202 -4,-0.4 3,-1.3 -3,-0.2 -1,-0.2 0.961 110.1 42.1 -61.1 -54.5 42.2 126.6 68.0 69 118 A V T 34 S+ 0 0 40 -4,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.708 117.9 47.0 -67.3 -22.5 43.4 123.1 67.4 70 119 A C T 3< S+ 0 0 5 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.297 77.2 112.6-100.9 7.3 47.1 124.0 68.0 71 120 A S S < S+ 0 0 88 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.781 85.8 35.3 -49.5 -32.0 46.2 125.9 71.2 72 121 A E S S+ 0 0 167 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.757 93.7 102.9 -96.9 -29.5 48.0 123.3 73.3 73 122 A L S S- 0 0 32 -4,-0.2 -3,-0.0 -3,-0.1 794,-0.0 -0.048 81.7 -97.0 -54.6 155.9 50.9 122.3 71.1 74 123 A K > - 0 0 19 1,-0.1 4,-2.1 790,-0.1 3,-0.5 -0.382 42.3-104.8 -68.5 155.3 54.4 123.7 71.8 75 124 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.856 117.6 48.8 -52.3 -43.8 55.3 126.7 69.7 76 125 A W H > S+ 0 0 18 791,-0.2 4,-1.6 1,-0.2 5,-0.1 0.827 111.6 49.9 -69.6 -30.6 57.7 125.0 67.2 77 126 A L H > S+ 0 0 2 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.872 110.7 51.7 -71.9 -37.6 55.2 122.2 66.6 78 127 A S H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.946 109.5 48.3 -62.5 -49.2 52.5 124.8 66.0 79 128 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.863 106.4 56.4 -61.9 -39.3 54.6 126.7 63.4 80 129 A I H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.967 108.6 47.4 -56.0 -55.3 55.6 123.6 61.5 81 130 A L H X S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.836 112.4 49.8 -55.2 -39.0 51.8 122.7 60.9 82 131 A F H X S+ 0 0 10 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.920 113.3 46.8 -66.2 -45.5 51.1 126.3 59.8 83 132 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.931 113.3 46.8 -62.3 -49.6 54.1 126.2 57.4 84 133 A I H X S+ 0 0 12 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.949 118.4 43.1 -56.8 -51.2 53.1 122.9 55.9 85 134 A R H X S+ 0 0 25 -4,-2.3 4,-1.8 -5,-0.2 3,-0.5 0.901 111.7 51.2 -63.1 -47.4 49.5 124.0 55.6 86 135 A E H < S+ 0 0 10 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.854 106.1 58.7 -60.2 -33.3 50.2 127.5 54.2 87 136 A R H < S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.850 105.1 48.8 -64.0 -37.2 52.5 125.8 51.7 88 137 A S H < S+ 0 0 57 -4,-1.1 2,-0.6 -3,-0.5 -1,-0.2 0.875 91.4 86.9 -71.6 -40.1 49.5 123.8 50.3 89 138 A R >< - 0 0 74 -4,-1.8 3,-1.7 1,-0.2 2,-0.2 -0.509 64.6-158.1 -67.5 109.3 47.1 126.7 50.0 90 139 A E T 3 S+ 0 0 156 -2,-0.6 -1,-0.2 1,-0.3 -3,-0.1 0.058 92.9 56.2 -77.4 29.4 47.7 128.3 46.6 91 140 A D T 3 S+ 0 0 105 -5,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.008 78.9 133.7-145.1 21.4 46.2 131.4 48.0 92 141 A S X - 0 0 9 -3,-1.7 3,-1.4 -6,-0.3 4,-0.2 -0.479 67.6-118.8 -79.8 149.6 48.5 131.9 51.0 93 142 A V T 3 S+ 0 0 77 1,-0.3 3,-0.4 -2,-0.2 2,-0.2 0.868 116.5 46.7 -52.0 -38.2 50.0 135.2 51.9 94 143 A W T 3> + 0 0 13 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.284 69.6 126.1-103.3 46.4 53.4 133.7 51.3 95 144 A K H <> S+ 0 0 103 -3,-1.4 4,-0.5 -2,-0.2 -1,-0.2 0.917 84.3 37.9 -67.1 -42.9 52.7 131.9 48.0 96 145 A H H 4 S+ 0 0 69 -3,-0.4 4,-0.2 -4,-0.2 -1,-0.2 0.728 112.6 56.9 -80.5 -25.8 55.8 133.6 46.5 97 146 A Y H >> S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 3,-1.2 0.882 107.1 49.2 -71.8 -38.8 57.9 133.4 49.6 98 147 A F H 3< S+ 0 0 28 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.732 102.4 64.5 -70.1 -22.1 57.4 129.6 49.5 99 148 A G T 3< S+ 0 0 51 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.572 107.1 41.5 -77.3 -8.4 58.4 129.7 45.9 100 149 A I T <4 S+ 0 0 26 -3,-1.2 -2,-0.2 -4,-0.2 -1,-0.2 0.671 85.7 106.7-108.3 -28.6 61.9 130.9 46.9 101 150 A L S < S- 0 0 16 -4,-1.3 2,-0.1 1,-0.1 68,-0.0 -0.296 77.8-113.0 -56.7 131.7 62.5 128.7 49.9 102 151 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.390 14.6-131.7 -65.0 142.2 65.1 125.9 49.1 103 152 A Q S S+ 0 0 152 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.708 87.3 3.6 -70.4 -15.3 63.6 122.5 49.1 104 153 A E - 0 0 94 64,-0.0 2,-0.2 65,-0.0 -1,-0.1 -0.983 59.4-154.6-160.2 164.4 66.6 121.4 51.2 105 154 A T - 0 0 22 -2,-0.3 135,-0.0 2,-0.2 5,-0.0 -0.605 43.3 -97.9-127.2-168.7 69.8 122.7 53.0 106 155 A D S S+ 0 0 41 -2,-0.2 134,-0.1 3,-0.0 5,-0.1 0.261 74.0 136.4-100.3 13.9 72.9 120.8 53.9 107 156 A S > - 0 0 3 1,-0.2 3,-2.6 132,-0.1 4,-0.4 -0.359 69.3-116.8 -59.7 134.2 71.7 120.3 57.5 108 157 A T T 3 S+ 0 0 0 129,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.616 107.4 79.8 -50.4 -13.7 72.4 116.7 58.6 109 158 A I T 3 S+ 0 0 10 129,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.595 98.2 41.7 -73.2 -7.8 68.6 116.2 58.9 110 159 A Y S < S+ 0 0 32 -3,-2.6 -1,-0.2 2,-0.0 -2,-0.2 0.506 85.2 123.3-112.4 -9.8 68.5 115.7 55.1 111 160 A W - 0 0 8 -4,-0.4 -5,-0.0 -3,-0.4 -4,-0.0 -0.229 60.5-123.2 -57.2 138.6 71.6 113.6 54.6 112 161 A S > - 0 0 41 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.150 33.6 -96.4 -71.5 175.2 71.1 110.2 52.9 113 162 A E H > S+ 0 0 124 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.853 125.9 49.7 -65.5 -33.3 72.3 107.0 54.6 114 163 A E H >4 S+ 0 0 129 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.948 110.3 49.0 -70.0 -48.1 75.6 107.1 52.7 115 164 A E H >4 S+ 0 0 67 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.864 110.1 52.7 -58.2 -38.9 76.3 110.7 53.6 116 165 A L H >< S+ 0 0 9 -4,-2.1 3,-1.8 1,-0.2 -1,-0.3 0.731 94.7 68.6 -71.3 -22.4 75.5 110.0 57.2 117 166 A Q G X< S+ 0 0 110 -4,-0.9 3,-1.3 -3,-0.8 -1,-0.2 0.686 86.3 70.7 -70.2 -13.3 78.0 107.1 57.3 118 167 A E G < S+ 0 0 58 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.632 97.3 50.9 -75.9 -11.8 80.6 109.8 56.9 119 168 A L G X S+ 0 0 0 -3,-1.8 3,-2.7 -4,-0.1 6,-0.4 0.149 78.6 153.5-108.5 14.9 79.8 110.8 60.5 120 169 A Q T < S+ 0 0 86 -3,-1.3 232,-0.5 1,-0.3 3,-0.1 -0.198 72.8 8.5 -50.4 124.5 80.1 107.3 62.0 121 170 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.3 230,-0.2 230,-0.2 0.319 99.2 130.2 87.0 -9.9 81.0 107.5 65.6 122 171 A S <> - 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0 0 22 -3,-1.5 -230,-0.2 -4,-0.2 -232,-0.1 -0.638 67.8-145.8 -92.8 152.2 85.3 106.7 64.0 352 412 A H S S+ 0 0 74 -232,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.320 77.9 52.2 -99.7 6.4 86.3 105.2 60.7 353 413 A T S S- 0 0 20 24,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.981 76.4-123.5-140.3 153.9 89.0 107.6 59.7 354 414 A T > - 0 0 60 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.483 31.5-111.3 -89.0 163.2 92.1 109.0 61.4 355 415 A I H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 120.0 56.3 -62.1 -37.6 92.7 112.7 61.9 356 416 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 106.2 49.8 -59.1 -42.7 95.5 112.5 59.3 357 417 A Q H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 110.9 49.5 -63.4 -40.9 93.1 111.1 56.8 358 418 A D H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.931 111.3 49.1 -63.3 -45.6 90.6 113.9 57.5 359 419 A R H X S+ 0 0 108 -4,-2.7 4,-0.8 2,-0.2 -1,-0.2 0.837 110.5 49.5 -64.8 -34.1 93.2 116.5 57.1 360 420 A E H >< S+ 0 0 153 -4,-2.2 3,-1.1 -5,-0.2 4,-0.4 0.939 109.4 53.2 -70.8 -41.9 94.5 115.1 53.8 361 421 A L H >< S+ 0 0 68 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.922 104.4 55.6 -55.4 -45.1 90.9 115.0 52.6 362 422 A K H 3< S+ 0 0 96 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.751 94.4 69.0 -59.9 -24.4 90.5 118.6 53.5 363 423 A E T << S+ 0 0 169 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.658 102.1 51.0 -71.6 -14.8 93.5 119.4 51.3 364 424 A G S < S- 0 0 44 -3,-2.0 2,-0.7 -4,-0.4 -3,-0.0 -0.293 107.9 -67.5-106.9-166.8 91.4 118.5 48.2 365 425 A N - 0 0 172 -2,-0.1 2,-0.3 6,-0.0 -2,-0.1 -0.794 53.7-175.6 -92.1 113.6 88.0 119.5 46.9 366 426 A L - 0 0 49 -2,-0.7 2,-0.2 -4,-0.2 -4,-0.0 -0.828 25.0-114.6-111.0 147.1 85.2 118.2 49.0 367 427 A D > - 0 0 122 -2,-0.3 4,-3.8 1,-0.1 5,-0.4 -0.509 38.8 -98.7 -79.6 147.8 81.5 118.5 48.5 368 428 A S H > S+ 0 0 61 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.779 121.8 34.7 -26.4 -65.4 79.3 120.6 50.9 369 429 A R H > S+ 0 0 35 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.894 119.1 49.8 -67.5 -41.0 78.1 117.6 53.0 370 430 A L H > S+ 0 0 59 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.941 111.7 50.2 -62.8 -43.7 81.3 115.6 52.8 371 431 A A H X S+ 0 0 37 -4,-3.8 4,-2.5 1,-0.2 5,-0.2 0.895 110.5 50.4 -58.3 -42.2 83.2 118.8 53.8 372 432 A I H X S+ 0 0 8 -4,-2.1 4,-2.5 -5,-0.4 -1,-0.2 0.931 111.7 47.5 -64.0 -44.0 80.8 119.2 56.7 373 433 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.962 114.0 45.5 -62.6 -51.9 81.3 115.6 57.8 374 434 A V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.964 114.0 48.9 -57.2 -54.7 85.1 115.7 57.6 375 435 A G H X S+ 0 0 7 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.930 113.9 46.2 -50.4 -51.8 85.4 119.0 59.4 376 436 A I H X S+ 0 0 4 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.950 114.6 45.0 -57.4 -54.7 83.1 118.0 62.2 377 437 A R H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.835 110.8 53.2 -62.0 -36.7 84.7 114.5 62.8 378 438 A E H X S+ 0 0 11 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.959 112.6 46.4 -61.7 -48.8 88.2 115.9 62.7 379 439 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.895 109.8 51.5 -59.3 -46.0 87.2 118.5 65.3 380 440 A E H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.918 110.9 49.7 -60.0 -41.6 85.4 116.0 67.6 381 441 A K H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.903 108.8 52.7 -64.3 -38.5 88.5 113.8 67.5 382 442 A M H X S+ 0 0 14 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.957 113.0 43.5 -59.9 -50.1 90.7 116.8 68.3 383 443 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.924 111.6 53.9 -60.2 -48.4 88.5 117.6 71.4 384 444 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.920 112.8 43.7 -52.7 -46.8 88.3 114.0 72.4 385 445 A Q H X S+ 0 0 99 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.870 110.6 54.3 -69.4 -36.2 92.1 113.8 72.4 386 446 A Q H X S+ 0 0 38 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.959 110.6 47.1 -60.8 -49.8 92.5 117.1 74.1 387 447 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.940 112.4 48.3 -55.8 -52.6 90.2 115.9 76.9 388 448 A D H X S+ 0 0 22 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.852 110.8 53.3 -59.1 -33.7 92.1 112.5 77.2 389 449 A G H X S+ 0 0 26 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.925 105.7 52.6 -66.5 -44.6 95.3 114.5 77.3 390 450 A I H X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.902 114.1 42.0 -57.9 -43.6 94.2 116.7 80.1 391 451 A F H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.714 107.0 60.5 -79.7 -19.0 93.2 113.7 82.3 392 452 A E H X S+ 0 0 96 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.886 107.5 48.1 -70.0 -38.0 96.4 111.7 81.3 393 453 A Q H X S+ 0 0 92 -4,-1.9 4,-2.6 1,-0.2 3,-0.4 0.886 107.5 54.4 -66.9 -41.8 98.3 114.6 82.9 394 454 A K H < S+ 0 0 29 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 102.8 57.5 -62.7 -34.1 96.1 114.5 85.9 395 455 A E H >< S+ 0 0 55 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.854 109.9 44.8 -65.1 -32.0 96.9 110.8 86.4 396 456 A L H 3< S+ 0 0 127 -4,-1.1 3,-0.5 -3,-0.4 -2,-0.2 0.911 114.2 47.2 -75.9 -43.2 100.6 111.8 86.5 397 457 A E T >X S+ 0 0 73 -4,-2.6 3,-2.0 1,-0.2 4,-0.6 0.187 77.4 123.4 -83.7 18.8 100.0 114.7 88.9 398 458 A L T <4 S+ 0 0 5 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.631 75.2 43.3 -55.2 -18.0 97.8 112.4 91.0 399 459 A D T 34 S+ 0 0 117 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.413 96.8 73.5-110.1 0.8 100.0 113.0 94.1 400 460 A Q T <4 S+ 0 0 152 -3,-2.0 2,-0.4 2,-0.1 -2,-0.2 0.607 80.2 90.1 -86.2 -14.0 100.4 116.8 93.7 401 461 A L S < S- 0 0 53 -4,-0.6 2,-0.9 1,-0.0 -71,-0.1 -0.672 72.9-140.5 -85.2 133.2 96.8 117.3 94.8 402 462 A E - 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0 0 5 -3,-2.6 2,-0.3 131,-0.1 131,-0.2 -0.181 54.2-149.1 -69.3 176.0 79.3 40.7 96.0 484 105 B I B +M 613 0I 2 129,-0.6 129,-2.2 4,-0.0 -3,-0.0 -0.820 46.6 127.3-147.5 94.4 80.3 42.0 99.3 485 106 B N S >> S- 0 0 4 -2,-0.3 4,-1.7 127,-0.2 3,-0.7 -0.882 76.8 -76.8-143.3 174.5 78.5 45.3 99.8 486 107 B P H 3> S+ 0 0 34 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 128.5 54.5 -43.9 -46.4 76.2 47.0 102.3 487 108 B D H 3> S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.919 103.9 54.6 -57.0 -44.9 73.3 44.9 101.2 488 109 B A H <4 S+ 0 0 28 -3,-0.7 -1,-0.2 1,-0.2 7,-0.1 0.913 109.9 47.2 -56.3 -42.5 75.2 41.7 101.7 489 110 B V H >< S+ 0 0 3 -4,-1.7 3,-2.7 1,-0.2 6,-0.3 0.974 108.2 54.3 -63.3 -53.8 76.0 42.7 105.3 490 111 B A H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.828 106.8 52.3 -49.5 -37.3 72.4 43.7 106.1 491 112 B A T 3< S+ 0 0 95 -4,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.214 101.6 85.9 -87.1 17.7 71.2 40.2 104.9 492 113 B S S X S- 0 0 25 -3,-2.7 3,-3.1 -5,-0.1 4,-0.5 -0.695 97.6 -92.6-115.4 168.6 73.7 38.6 107.3 493 114 B E T 3 S+ 0 0 116 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.764 127.5 44.9 -48.0 -32.7 73.8 37.5 110.9 494 115 B I T 3> S+ 0 0 0 -5,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.359 84.1 100.4 -96.9 7.3 75.3 40.9 111.9 495 116 B G H <> S+ 0 0 6 -3,-3.1 4,-0.7 -6,-0.3 3,-0.3 0.949 78.2 54.2 -54.1 -52.6 72.9 42.9 109.7 496 117 B R H >4 S+ 0 0 201 -4,-0.5 3,-0.8 -3,-0.2 -1,-0.2 0.878 110.2 43.5 -49.0 -52.2 70.8 43.8 112.7 497 118 B V H >4 S+ 0 0 47 -4,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.806 115.0 48.5 -69.2 -30.3 73.5 45.3 114.9 498 119 B C H >< S+ 0 0 6 -4,-1.8 3,-2.7 -3,-0.3 -1,-0.2 0.481 79.0 112.1 -88.0 -1.4 75.2 47.2 112.0 499 120 B S T << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.692 85.3 33.8 -43.3 -28.6 71.7 48.5 111.0 500 121 B E T < S+ 0 0 181 -3,-0.5 -1,-0.3 -4,-0.1 2,-0.2 0.372 94.9 110.1-112.7 3.8 72.7 52.1 112.0 501 122 B L S < S- 0 0 39 -3,-2.7 5,-0.1 1,-0.1 -3,-0.0 -0.570 80.1 -98.9 -82.4 143.3 76.4 52.0 111.1 502 123 B K >> - 0 0 42 -2,-0.2 4,-1.6 1,-0.1 3,-0.7 -0.279 42.0-108.6 -55.3 142.8 77.7 53.9 108.2 503 124 B P H 3> S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.845 116.0 49.1 -44.0 -50.9 78.1 51.6 105.1 504 125 B W H 3> S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.873 109.4 53.9 -62.8 -34.4 81.9 51.4 105.1 505 126 B L H <> S+ 0 0 2 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.847 107.9 51.0 -67.2 -32.4 82.0 50.6 108.8 506 127 B S H X S+ 0 0 10 -4,-1.6 4,-2.6 -3,-0.3 -2,-0.2 0.944 109.1 48.6 -69.0 -48.8 79.6 47.7 108.2 507 128 B V H X S+ 0 0 1 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.886 106.2 58.4 -59.4 -39.1 81.6 46.2 105.4 508 129 B I H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.930 110.2 43.0 -56.5 -46.1 84.7 46.5 107.5 509 130 B L H X S+ 0 0 2 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.895 112.9 52.3 -66.9 -41.0 83.1 44.3 110.2 510 131 B F H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.926 111.2 47.6 -61.3 -44.3 81.7 41.9 107.6 511 132 B L H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.922 113.9 46.2 -63.5 -44.5 85.1 41.5 106.1 512 133 B I H X S+ 0 0 10 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.857 115.7 46.9 -67.2 -35.6 86.8 40.9 109.4 513 134 B R H X S+ 0 0 25 -4,-2.5 4,-1.9 2,-0.2 3,-0.2 0.945 113.8 44.9 -71.9 -49.0 84.1 38.5 110.6 514 135 B E H < S+ 0 0 7 -4,-2.8 6,-0.3 1,-0.2 5,-0.2 0.830 105.3 62.2 -65.1 -33.2 84.0 36.4 107.4 515 136 B R H < S+ 0 0 82 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.935 107.7 46.0 -57.2 -43.8 87.8 36.2 107.2 516 137 B S H < S+ 0 0 53 -4,-1.1 2,-0.3 -3,-0.2 -2,-0.2 0.918 91.5 88.0 -64.0 -51.0 87.6 34.4 110.5 517 138 B R >< - 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0 0 4 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.609 49.2-168.1 -13.5 -79.9 87.2 90.9 102.6 744 365 B G > - 0 0 3 -3,-0.4 4,-1.0 -4,-0.3 -1,-0.1 -0.155 33.2 -72.8 102.2 163.3 88.0 93.5 105.3 745 366 B G T >4 S+ 0 0 10 2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.941 121.1 55.2 -60.6 -54.7 86.3 96.5 107.0 746 367 B T G >4 S+ 0 0 43 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.909 118.9 32.6 -44.7 -54.5 86.4 99.0 104.1 747 368 B D G >4 S+ 0 0 17 -4,-0.3 3,-2.7 1,-0.2 -1,-0.2 0.532 84.6 104.5 -84.8 -9.3 84.6 96.7 101.6 748 369 B A G X< + 0 0 9 -4,-1.0 3,-3.0 -3,-0.7 -1,-0.2 0.711 60.2 86.9 -47.1 -19.3 82.4 94.9 104.1 749 370 B F G X S+ 0 0 58 -3,-0.6 3,-2.3 -4,-0.3 -1,-0.3 0.831 73.5 69.2 -50.8 -35.9 79.6 97.1 102.7 750 371 B L G < S+ 0 0 1 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.643 85.1 71.5 -59.6 -12.8 79.1 94.4 100.0 751 372 B L G < S+ 0 0 3 -3,-3.0 -1,-0.3 -4,-0.2 -2,-0.2 0.537 73.5 112.2 -81.7 -5.7 77.8 92.2 102.8 752 373 B E S X> S- 0 0 109 -3,-2.3 3,-1.0 -4,-0.2 4,-0.5 -0.205 85.3-111.3 -62.1 158.5 74.6 94.3 103.1 753 374 B S T 34 S+ 0 0 108 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.659 112.4 76.8 -66.8 -14.7 71.3 92.7 102.0 754 375 B L T 34 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.915 105.0 31.1 -60.5 -43.7 71.4 95.1 99.1 755 376 B F T X> S+ 0 0 18 -3,-1.0 3,-3.3 -6,-0.2 4,-2.5 0.421 80.0 113.8 -97.4 0.4 74.0 93.0 97.3 756 377 B R T 3< S+ 0 0 65 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.425 83.8 50.0 -55.8 10.6 73.1 89.5 98.6 757 378 B D T 34 S+ 0 0 159 -3,-0.2 -1,-0.3 -4,-0.0 -2,-0.1 0.440 122.8 25.0-124.7 -6.4 72.2 88.8 94.9 758 379 B T T <> S+ 0 0 72 -3,-3.3 4,-2.2 -8,-0.1 -2,-0.2 0.348 92.0 97.3-135.8 -2.7 75.4 90.0 93.2 759 380 B I H X S+ 0 0 3 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.942 86.1 48.5 -57.3 -50.9 78.0 89.7 95.9 760 381 B W H > S+ 0 0 25 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.880 110.2 54.0 -57.6 -36.4 79.3 86.4 94.7 761 382 B G H > S+ 0 0 30 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.884 110.7 45.7 -63.7 -39.0 79.4 87.8 91.2 762 383 B H H X S+ 0 0 34 -4,-2.2 4,-3.8 -3,-0.2 -2,-0.2 0.903 109.1 53.5 -70.9 -42.8 81.6 90.7 92.6 763 384 B L H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 108.3 54.9 -60.8 -25.7 83.8 88.3 94.5 764 385 B E H < S+ 0 0 111 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.887 115.1 35.4 -74.2 -39.3 84.2 86.6 91.2 765 386 B L H < S- 0 0 96 -4,-1.4 -2,-0.2 1,-0.2 2,-0.2 0.914 125.3 -92.2 -81.2 -42.0 85.3 89.7 89.4 766 387 B S < - 0 0 0 -4,-3.8 77,-0.3 -5,-0.1 -1,-0.2 -0.432 22.5-136.0 136.0 149.9 87.3 91.2 92.4 767 388 B V - 0 0 3 1,-0.3 76,-1.5 -4,-0.2 77,-0.4 0.910 68.5 -30.3 -95.2 -65.0 86.5 93.5 95.3 768 389 B S > - 0 0 18 74,-0.2 4,-2.8 75,-0.1 -1,-0.3 -0.984 51.8-107.5-155.3 159.7 89.4 96.0 95.7 769 390 B R H > S+ 0 0 91 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.852 121.1 53.1 -60.4 -33.6 93.1 96.3 95.3 770 391 B D H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 110.2 47.3 -67.3 -42.0 93.5 96.2 99.0 771 392 B N H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 114.8 45.5 -61.5 -49.4 91.5 93.0 99.2 772 393 B E H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.929 112.2 50.6 -60.6 -50.4 93.4 91.4 96.4 773 394 B E H X S+ 0 0 86 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.861 110.0 52.0 -57.2 -38.7 96.8 92.4 97.7 774 395 B L H X S+ 0 0 22 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.954 111.4 43.7 -64.9 -53.8 96.0 91.0 101.1 775 396 B L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.857 110.7 57.5 -62.8 -34.1 94.9 87.6 99.9 776 397 B C H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.977 108.9 44.7 -60.1 -51.8 97.9 87.5 97.6 777 398 B K H X S+ 0 0 77 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.926 110.2 55.1 -58.1 -45.3 100.2 87.9 100.5 778 399 B A H X S+ 0 0 15 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.907 112.5 43.2 -54.2 -44.1 98.4 85.4 102.6 779 400 B V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.945 112.9 49.8 -69.1 -49.8 98.8 82.7 99.9 780 401 B R H X S+ 0 0 26 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.845 110.2 51.6 -60.3 -33.6 102.4 83.5 99.1 781 402 B E H X S+ 0 0 90 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.946 108.3 51.2 -68.1 -45.1 103.3 83.3 102.8 782 403 B A H X S+ 0 0 20 -4,-1.8 4,-2.9 -5,-0.3 5,-0.2 0.911 110.5 49.4 -57.0 -45.8 101.7 80.0 103.2 783 404 B C H X S+ 0 0 1 -4,-2.4 4,-3.7 2,-0.2 5,-0.2 0.959 112.5 46.1 -58.4 -53.6 103.5 78.5 100.2 784 405 B K H X S+ 0 0 88 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.898 114.3 48.4 -56.6 -44.3 106.9 79.8 101.4 785 406 B S H X S+ 0 0 91 -4,-2.8 4,-0.7 2,-0.2 -1,-0.2 0.938 114.8 45.3 -62.6 -47.3 106.2 78.5 104.9 786 407 B A H >< S+ 0 0 17 -4,-2.9 3,-1.8 -5,-0.2 4,-0.5 0.943 108.8 55.4 -62.0 -49.8 105.1 75.1 103.6 787 408 B L H >< S+ 0 0 44 -4,-3.7 3,-1.2 1,-0.3 -1,-0.2 0.867 102.8 57.9 -52.0 -37.6 108.0 74.8 101.2 788 409 B A H 3< S+ 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.759 92.1 71.5 -65.4 -24.9 110.3 75.3 104.1 789 410 B G T << S+ 0 0 33 -3,-1.8 -1,-0.2 -4,-0.7 2,-0.2 0.685 78.4 91.3 -67.0 -19.9 108.8 72.3 105.9 790 411 B Y < - 0 0 20 -3,-1.2 -241,-0.1 -4,-0.5 -243,-0.0 -0.533 66.0-148.3 -80.7 145.0 110.4 69.7 103.5 791 412 B H S S+ 0 0 78 -243,-0.5 2,-0.3 -2,-0.2 -1,-0.1 0.094 76.2 54.5 -98.7 21.6 113.8 68.2 104.3 792 413 B T S S- 0 0 23 24,-0.0 2,-0.3 4,-0.0 -2,-0.1 -0.979 75.8-122.9-149.0 157.6 114.9 67.8 100.7 793 414 B T >> - 0 0 56 -2,-0.3 4,-2.4 1,-0.1 3,-0.6 -0.741 26.9-118.3-102.5 154.8 115.3 69.9 97.6 794 415 B I H 3> S+ 0 0 9 -2,-0.3 4,-3.3 1,-0.3 5,-0.3 0.933 117.7 55.2 -54.2 -47.0 113.6 69.2 94.3 795 416 B E H 3> S+ 0 0 132 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.825 109.4 48.5 -56.2 -32.6 117.0 68.8 92.7 796 417 B Q H <> S+ 0 0 93 -3,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.895 110.8 49.2 -75.1 -40.9 117.8 66.2 95.3 797 418 B D H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.959 110.5 50.8 -61.3 -50.6 114.5 64.4 94.8 798 419 B R H X S+ 0 0 114 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.824 110.0 49.5 -57.8 -34.9 115.0 64.3 91.0 799 420 B E H >< S+ 0 0 148 -4,-1.3 3,-0.5 -5,-0.3 4,-0.4 0.928 107.7 54.4 -71.5 -43.7 118.6 62.8 91.4 800 421 B L H >< S+ 0 0 67 -4,-2.3 3,-2.2 1,-0.3 -2,-0.2 0.921 105.8 52.9 -51.8 -48.8 117.3 60.1 93.8 801 422 B K H 3< S+ 0 0 95 -4,-2.2 -1,-0.3 1,-0.3 4,-0.2 0.814 93.7 71.2 -57.5 -33.3 114.7 59.1 91.2 802 423 B E T << S+ 0 0 172 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.684 102.5 53.9 -60.3 -14.0 117.5 58.7 88.7 803 424 B G S < S- 0 0 41 -3,-2.2 2,-1.0 -4,-0.4 -3,-0.0 -0.276 109.4 -71.2-107.2-165.6 118.6 55.7 90.8 804 425 B N - 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0 0 21 -3,-1.4 -241,-0.1 -4,-0.3 -243,-0.0 -0.553 66.6-148.3 -84.7 151.8 114.2 130.2 114.5 1231 412 C H S S+ 0 0 78 -243,-0.4 2,-0.3 -2,-0.2 -1,-0.1 0.217 76.5 51.7-104.2 13.9 116.6 133.0 113.6 1232 413 C T S S- 0 0 18 24,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.978 76.5-123.8-145.3 154.4 119.9 131.1 114.2 1233 414 C T > - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.576 30.0-111.3 -95.8 162.2 121.3 127.8 113.1 1234 415 C I H > S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.928 120.1 54.2 -57.1 -44.7 122.6 125.1 115.5 1235 416 C E H > S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 108.2 49.0 -57.0 -40.9 126.1 125.8 114.3 1236 417 C Q H > S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 112.3 48.1 -66.5 -41.0 125.7 129.5 115.2 1237 418 C D H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.938 112.0 49.8 -63.0 -48.3 124.3 128.7 118.6 1238 419 C R H X S+ 0 0 115 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.883 110.5 48.5 -60.5 -40.5 127.2 126.2 119.2 1239 420 C E H < S+ 0 0 155 -4,-2.3 3,-0.3 -5,-0.2 4,-0.3 0.893 109.1 55.1 -68.0 -35.9 129.8 128.7 118.2 1240 421 C L H >< S+ 0 0 66 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.930 104.1 53.5 -60.8 -44.5 128.1 131.3 120.5 1241 422 C K H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.785 92.5 73.1 -61.7 -27.1 128.4 129.0 123.5 1242 423 C E T 3< S+ 0 0 168 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.650 100.6 54.4 -63.2 -12.4 132.1 128.6 122.8 1243 424 C G S < S- 0 0 41 -3,-2.0 2,-0.9 -4,-0.3 -3,-0.0 -0.452 107.6 -70.0-113.0-174.1 132.4 132.1 124.2 1244 425 C N - 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