==== 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 PROTEIN TRANSPORT/ANTIBIOTIC 27-SEP-12 4HAZ . COMPND 2 MOLECULE: GTP-BINDING NUCLEAR PROTEIN RAN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.SUN,Y.M.CHOOK . 1337 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1030 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 57 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 694 51.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.4 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 5 2 3 4 0 1 1 4 0 5 6 2 5 3 3 4 2 4 0 2 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 2 0 1 0 0 1 0 0 0 1 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 9 A V 0 0 126 0, 0.0 51,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 86.0 15.4 57.9 45.7 2 10 A Q E -a 52 0A 107 49,-0.2 2,-0.4 41,-0.0 51,-0.2 -0.977 360.0-163.0-132.0 145.4 14.9 54.7 43.7 3 11 A F E -a 53 0A 34 49,-2.8 51,-2.8 -2,-0.4 2,-0.5 -0.969 21.7-124.9-128.5 137.4 12.7 51.6 44.1 4 12 A K E -a 54 0A 24 -2,-0.4 72,-2.9 70,-0.3 73,-1.3 -0.696 29.4-171.0 -80.8 122.9 13.0 48.1 42.6 5 13 A L E -ab 55 77A 0 49,-2.1 51,-3.6 -2,-0.5 2,-0.5 -0.972 7.5-158.1-117.9 122.5 9.8 47.2 40.8 6 14 A V E -ab 56 78A 0 71,-2.0 73,-2.1 -2,-0.5 2,-0.5 -0.876 3.9-158.7-101.5 134.0 9.2 43.6 39.6 7 15 A L E +ab 57 79A 1 49,-2.7 51,-2.1 -2,-0.5 2,-0.3 -0.959 20.5 168.9-114.3 122.0 6.7 43.2 36.8 8 16 A V E + b 0 80A 0 71,-2.4 73,-2.8 -2,-0.5 2,-0.2 -0.886 12.2 108.8-133.4 159.3 5.2 39.6 36.4 9 17 A G E - b 0 81A 0 -2,-0.3 73,-0.2 71,-0.2 3,-0.1 -0.753 63.7 -43.8 149.4 166.2 2.4 37.9 34.6 10 18 A D > - 0 0 21 71,-0.6 3,-1.5 79,-0.3 5,-0.3 -0.055 69.5 -86.2 -56.5 153.7 1.6 35.5 31.7 11 19 A G T 3 S+ 0 0 21 49,-0.7 -1,-0.1 1,-0.2 48,-0.1 -0.313 113.0 20.7 -55.6 138.6 3.4 35.6 28.4 12 20 A G T 3 S+ 0 0 25 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.501 83.5 119.6 79.9 7.4 1.8 38.0 25.9 13 21 A T S < S- 0 0 0 -3,-1.5 69,-0.2 68,-0.1 101,-0.1 0.684 88.0-103.1 -78.2 -18.6 -0.1 40.1 28.6 14 22 A G S > S+ 0 0 13 -4,-0.2 4,-2.6 67,-0.1 5,-0.2 0.633 73.9 138.7 108.5 20.8 1.7 43.3 27.6 15 23 A K H > S+ 0 0 11 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.966 79.4 39.5 -57.4 -56.8 4.3 43.8 30.3 16 24 A T H > S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.877 115.7 51.7 -65.3 -39.9 7.1 44.8 28.0 17 25 A T H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.0 50.8 -62.4 -42.0 4.8 46.9 25.8 18 26 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.944 112.8 44.6 -60.6 -51.1 3.5 48.7 28.9 19 27 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.920 112.2 52.2 -58.9 -46.3 7.0 49.5 30.2 20 28 A K H X>S+ 0 0 58 -4,-2.7 4,-3.0 1,-0.2 5,-0.9 0.896 104.9 55.9 -60.2 -43.1 8.2 50.6 26.7 21 29 A R H X5S+ 0 0 8 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.915 111.8 43.7 -51.5 -46.4 5.3 53.0 26.4 22 30 A H H <5S+ 0 0 4 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.4 48.0 -68.8 -37.1 6.4 54.6 29.7 23 31 A L H <5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.936 135.3 0.7 -68.5 -52.3 10.1 54.6 28.7 24 32 A T H <5S- 0 0 35 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.544 91.2-112.4-120.5 -14.1 10.0 56.1 25.2 25 33 A G S < -CD 49 168A 9 3,-1.1 3,-1.7 -2,-0.5 122,-0.2 -0.809 50.0-103.5-129.6 169.6 6.2 64.5 41.3 47 55 A N T 3 S+ 0 0 84 120,-2.0 121,-0.1 1,-0.3 119,-0.0 0.556 124.9 52.8 -71.0 -6.8 5.3 67.3 43.7 48 56 A R T 3 S- 0 0 141 1,-0.5 -1,-0.3 119,-0.3 120,-0.1 0.139 126.9 -91.9-107.8 15.9 7.5 65.5 46.2 49 57 A G E < - C 0 46A 28 -3,-1.7 -3,-1.1 2,-0.1 -1,-0.5 -0.458 66.0 -32.8 102.2-177.7 10.5 65.3 43.9 50 58 A P E - C 0 45A 81 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.518 51.5-159.4 -76.9 145.2 11.6 62.8 41.3 51 59 A I E - C 0 44A 2 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.5 -0.994 5.0-153.4-123.6 133.0 11.0 59.1 42.0 52 60 A K E -aC 2 43A 77 -51,-2.1 -49,-2.8 -2,-0.4 2,-0.5 -0.935 5.6-166.1-111.1 122.1 13.0 56.4 40.2 53 61 A F E -aC 3 42A 0 -11,-3.3 -11,-2.5 -2,-0.5 2,-0.9 -0.934 12.0-152.3 -99.7 127.8 11.7 53.0 39.5 54 62 A N E -aC 4 41A 35 -51,-2.8 -49,-2.1 -2,-0.5 2,-0.6 -0.862 25.3-150.9 -93.7 97.8 14.2 50.3 38.5 55 63 A V E -aC 5 40A 0 -15,-3.0 -15,-2.4 -2,-0.9 2,-1.0 -0.621 14.0-163.8 -83.5 113.5 11.7 48.2 36.5 56 64 A W E -aC 6 39A 7 -51,-3.6 -49,-2.7 -2,-0.6 2,-0.9 -0.848 10.5-165.5 -93.8 95.8 12.5 44.5 36.4 57 65 A D E -aC 7 38A 1 -19,-2.8 -19,-1.9 -2,-1.0 -49,-0.1 -0.774 15.1-158.4 -89.3 103.7 10.4 43.3 33.5 58 66 A T E - C 0 37A 2 -51,-2.1 2,-0.3 -2,-0.9 -21,-0.3 -0.422 19.5 -99.0 -92.3 159.8 10.3 39.5 33.8 59 67 A A - 0 0 7 -23,-2.8 -50,-0.2 6,-0.2 -1,-0.1 -0.575 24.4-168.8 -76.4 130.8 9.6 36.8 31.3 60 68 A G + 0 0 14 -2,-0.3 -49,-0.7 -50,-0.1 2,-0.4 0.663 62.7 92.3 -90.6 -23.5 6.1 35.3 31.5 61 69 A Q S > S- 0 0 50 -27,-0.3 3,-1.5 -51,-0.2 -25,-0.2 -0.642 73.9-140.7 -73.6 125.3 6.7 32.3 29.2 62 70 A E G > S+ 0 0 86 -2,-0.4 3,-1.6 1,-0.3 4,-0.2 0.878 101.7 55.6 -53.9 -42.8 7.8 29.4 31.3 63 71 A K G 3 S+ 0 0 136 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.712 115.2 39.2 -66.9 -19.2 10.4 28.3 28.8 64 72 A F G < S+ 0 0 71 -3,-1.5 -28,-2.2 1,-0.1 -1,-0.3 0.161 81.2 117.4-110.7 18.1 12.0 31.8 29.0 65 73 A G X + 0 0 5 -3,-1.6 3,-2.1 1,-0.2 -6,-0.2 0.659 43.8 179.1 -66.0 -21.9 11.6 32.2 32.8 66 74 A G T 3 S- 0 0 7 1,-0.3 -1,-0.2 -4,-0.2 3,-0.1 -0.310 71.3 -1.9 59.2-126.4 15.3 32.4 33.6 67 75 A L T > S- 0 0 1 1,-0.2 3,-2.5 -2,-0.1 -1,-0.3 0.548 87.8-172.6 -74.7 -7.7 15.9 32.9 37.4 68 76 A R G X S+ 0 0 86 -3,-2.1 3,-1.9 1,-0.3 4,-0.3 -0.268 73.3 11.7 53.0-117.8 12.1 33.0 37.9 69 77 A D G > S+ 0 0 31 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.672 114.6 79.7 -67.9 -15.4 11.5 34.0 41.6 70 78 A G G X S+ 0 0 0 -3,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.749 85.4 62.4 -57.5 -25.6 15.2 34.9 41.9 71 79 A Y G < S+ 0 0 1 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.752 94.2 62.1 -69.3 -24.7 14.2 38.2 40.2 72 80 A Y G X S+ 0 0 4 -3,-1.4 3,-2.6 -4,-0.3 -1,-0.2 0.637 70.3 125.0 -80.9 -15.6 11.9 39.1 43.1 73 81 A I T < S- 0 0 2 -3,-0.6 31,-0.1 -4,-0.4 30,-0.0 -0.212 88.1 -3.2 -54.2 124.7 14.7 39.3 45.7 74 82 A Q T 3 S+ 0 0 103 29,-0.3 -70,-0.3 1,-0.2 -1,-0.3 0.581 87.9 159.9 65.1 18.1 14.6 42.7 47.4 75 83 A A < - 0 0 8 -3,-2.6 -1,-0.2 1,-0.1 -70,-0.2 -0.402 27.8-161.6 -61.8 142.6 11.8 44.1 45.2 76 84 A Q + 0 0 82 -72,-2.9 2,-0.3 1,-0.3 -71,-0.2 0.509 69.7 0.2-106.5 -8.9 10.1 47.1 46.9 77 85 A C E -b 5 0A 0 -73,-1.3 -71,-2.0 30,-0.2 2,-0.3 -0.959 67.3-155.9-166.3 172.9 6.9 47.0 44.8 78 86 A A E -be 6 109A 0 30,-1.6 32,-2.4 -2,-0.3 2,-0.4 -0.998 15.2-146.0-159.6 154.4 5.3 45.1 42.0 79 87 A I E -be 7 110A 1 -73,-2.1 -71,-2.4 -2,-0.3 2,-0.5 -0.997 13.7-159.8-121.1 127.7 2.9 45.0 39.1 80 88 A I E -be 8 111A 0 30,-3.0 32,-2.9 -2,-0.4 2,-0.4 -0.965 19.1-159.8-104.3 126.6 1.0 41.7 38.3 81 89 A M E +be 9 112A 1 -73,-2.8 -71,-0.6 -2,-0.5 2,-0.3 -0.831 18.9 163.8-111.8 140.2 -0.3 41.8 34.7 82 90 A F E - e 0 113A 0 30,-2.4 32,-3.2 -2,-0.4 2,-0.5 -0.888 34.1-116.4-140.2 179.4 -3.1 39.9 33.0 83 91 A D E > - e 0 114A 10 3,-0.5 3,-2.2 -2,-0.3 7,-0.3 -0.976 8.6-149.2-124.4 118.4 -5.0 40.3 29.7 84 92 A V T 3 S+ 0 0 0 30,-2.5 39,-3.0 -2,-0.5 38,-2.3 0.569 100.1 57.0 -67.5 -8.6 -8.8 40.9 29.8 85 93 A T T 3 S+ 0 0 27 29,-0.3 2,-0.4 36,-0.2 -1,-0.3 0.367 103.1 59.8 -97.6 1.4 -9.1 39.1 26.5 86 94 A S X> - 0 0 27 -3,-2.2 3,-1.1 1,-0.1 4,-0.8 -0.865 61.5-170.4-136.6 101.9 -7.4 35.9 27.8 87 95 A R H >> S+ 0 0 117 -2,-0.4 4,-2.4 1,-0.3 3,-0.6 0.830 84.9 63.1 -62.7 -36.9 -9.1 34.2 30.8 88 96 A V H 3> S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.839 97.4 58.8 -57.4 -33.5 -6.3 31.8 31.4 89 97 A T H <4 S+ 0 0 5 -3,-1.1 -79,-0.3 -6,-0.2 -1,-0.2 0.845 108.2 44.8 -68.0 -33.9 -4.0 34.9 32.2 90 98 A Y H X< S+ 0 0 39 -4,-0.8 3,-1.6 -3,-0.6 -2,-0.2 0.891 109.0 56.0 -71.8 -42.6 -6.4 35.9 35.0 91 99 A K H 3< S+ 0 0 118 -4,-2.4 4,-0.3 1,-0.3 -2,-0.2 0.832 106.5 52.3 -57.3 -31.8 -6.7 32.3 36.3 92 100 A N T 3X S+ 0 0 31 -4,-1.7 4,-2.0 -5,-0.2 3,-0.5 0.517 83.2 92.6 -82.5 -5.9 -2.8 32.4 36.6 93 101 A V H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 5,-0.2 0.908 83.0 52.1 -55.9 -45.1 -2.8 35.6 38.7 94 102 A P H > S+ 0 0 36 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.837 107.8 53.5 -63.1 -29.5 -2.9 33.7 42.0 95 103 A N H > S+ 0 0 22 -3,-0.5 4,-2.3 -4,-0.3 5,-0.2 0.935 111.1 44.7 -67.7 -46.7 0.1 31.6 40.9 96 104 A W H X S+ 0 0 39 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.940 114.8 49.2 -60.4 -46.8 2.1 34.8 40.1 97 105 A H H X S+ 0 0 18 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.900 109.2 52.7 -60.5 -43.7 1.1 36.4 43.3 98 106 A R H X S+ 0 0 25 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.954 112.0 44.0 -54.0 -56.2 2.0 33.3 45.3 99 107 A D H X S+ 0 0 46 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.873 116.3 49.7 -60.6 -38.3 5.5 33.1 43.9 100 108 A L H >X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 3,-1.1 0.961 111.4 43.7 -66.2 -56.1 5.9 36.9 44.4 101 109 A V H 3< S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.694 102.5 67.2 -72.5 -18.4 4.8 37.3 48.0 102 110 A R H 3< S+ 0 0 37 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.2 0.847 117.1 27.5 -63.0 -32.9 6.7 34.2 49.1 103 111 A V H << S+ 0 0 11 -3,-1.1 2,-0.7 -4,-0.7 -29,-0.3 0.821 129.4 42.6 -92.7 -39.9 9.9 36.3 48.3 104 112 A C >< + 0 0 6 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 -0.805 68.5 176.6-115.0 90.2 8.4 39.8 48.9 105 113 A E T 3 S+ 0 0 109 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.1 0.751 71.4 21.7 -74.5 -28.3 6.3 39.5 52.0 106 114 A N T 3 S+ 0 0 138 2,-0.1 -1,-0.2 -29,-0.0 -5,-0.0 -0.464 83.8 125.2-143.5 70.3 5.2 43.1 52.5 107 115 A I < - 0 0 31 -3,-0.6 2,-0.3 -2,-0.1 -30,-0.2 -0.914 62.3-102.0-123.7 152.2 5.3 45.3 49.4 108 116 A P - 0 0 27 0, 0.0 -30,-1.6 0, 0.0 2,-0.4 -0.565 43.7-170.5 -69.7 134.6 2.7 47.4 47.6 109 117 A I E -e 78 0A 7 26,-0.3 28,-2.1 -2,-0.3 2,-0.4 -0.997 14.6-155.9-134.0 131.5 1.4 45.5 44.5 110 118 A V E -ef 79 137A 0 -32,-2.4 -30,-3.0 -2,-0.4 2,-0.5 -0.909 8.5-151.2-104.3 132.5 -0.9 46.7 41.6 111 119 A L E -ef 80 138A 0 26,-3.7 28,-2.0 -2,-0.4 2,-0.5 -0.913 18.0-165.6 -98.1 130.8 -2.9 44.2 39.7 112 120 A C E -ef 81 139A 0 -32,-2.9 -30,-2.4 -2,-0.5 2,-0.9 -0.972 19.1-157.1-127.5 123.4 -3.5 45.3 36.1 113 121 A G E -ef 82 140A 0 26,-2.1 28,-2.5 -2,-0.5 3,-0.3 -0.844 30.4-163.4 -95.8 99.6 -6.0 44.0 33.5 114 122 A N E +e 83 0A 4 -32,-3.2 -30,-2.5 -2,-0.9 -29,-0.3 -0.247 55.5 42.1 -83.2 167.9 -4.4 45.0 30.2 115 123 A K > + 0 0 57 -32,-0.2 3,-1.4 -31,-0.1 27,-0.2 0.781 54.8 148.9 69.0 35.2 -5.8 45.3 26.7 116 124 A V T 3 + 0 0 22 25,-1.6 26,-0.2 -3,-0.3 5,-0.1 0.640 62.0 76.7 -71.7 -14.2 -9.2 46.9 27.5 117 125 A D T 3 S+ 0 0 59 24,-0.2 2,-0.3 30,-0.1 -1,-0.3 0.749 74.1 96.3 -61.4 -26.4 -9.0 48.6 24.1 118 126 A I S < S- 0 0 68 -3,-1.4 3,-0.0 1,-0.1 -34,-0.0 -0.540 73.8-141.8 -74.4 128.6 -10.0 45.3 22.5 119 127 A K S S+ 0 0 207 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 0.883 87.9 65.4 -57.9 -47.7 -13.8 45.1 21.8 120 128 A D S S- 0 0 94 -35,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.560 72.9-173.2 -85.8 81.2 -14.3 41.4 22.7 121 129 A R + 0 0 67 -2,-1.7 -36,-0.2 1,-0.1 3,-0.1 -0.587 12.6 178.0 -75.9 133.1 -13.5 41.4 26.5 122 130 A K + 0 0 71 -38,-2.3 2,-1.1 -2,-0.3 -37,-0.2 0.753 65.5 68.3-108.2 -37.2 -13.5 37.9 28.1 123 131 A V S S- 0 0 2 -39,-3.0 -1,-0.2 3,-0.0 5,-0.1 -0.773 87.1-138.2 -86.1 99.7 -12.5 38.6 31.7 124 132 A K >> - 0 0 120 -2,-1.1 3,-1.9 1,-0.1 4,-0.7 -0.311 11.0-124.1 -62.6 139.1 -15.7 40.4 32.9 125 133 A A G >4 S+ 0 0 40 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.860 112.9 57.3 -45.8 -44.7 -15.2 43.4 35.2 126 134 A K G 34 S+ 0 0 97 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.741 100.1 58.1 -60.7 -29.6 -17.4 41.7 37.7 127 135 A S G <4 S+ 0 0 52 -3,-1.9 2,-1.3 1,-0.1 3,-0.3 0.675 79.3 96.6 -76.0 -20.9 -15.1 38.6 37.9 128 136 A I << + 0 0 6 -3,-1.1 -1,-0.1 -4,-0.7 -15,-0.0 -0.593 40.9 120.0 -82.5 95.2 -12.0 40.5 38.9 129 137 A V >> + 0 0 60 -2,-1.3 3,-1.9 2,-0.1 4,-0.5 0.435 33.8 102.1-131.7 -6.9 -12.0 40.1 42.7 130 138 A F H 3> S+ 0 0 41 -3,-0.3 4,-0.7 1,-0.3 3,-0.2 0.815 78.8 61.0 -52.6 -35.4 -8.6 38.4 43.5 131 139 A H H 3>>S+ 0 0 2 1,-0.2 5,-2.0 2,-0.2 4,-0.6 0.711 87.5 74.8 -64.7 -24.0 -7.1 41.6 44.7 132 140 A R H X45S+ 0 0 48 -3,-1.9 3,-1.1 1,-0.2 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36.9 63.7 434 107 C V H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 113.1 50.6 -63.1 -46.2 21.2 34.7 60.6 435 108 C F H < S+ 0 0 11 -4,-2.9 -1,-0.2 -7,-0.3 -2,-0.2 0.852 116.1 42.7 -59.8 -36.5 17.6 33.9 61.5 436 109 C K H < S+ 0 0 142 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.890 124.4 32.1 -75.7 -41.8 16.8 37.6 62.0 437 110 C T H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.507 113.3 55.8-102.3 -7.6 18.6 39.0 59.0 438 111 C Q X + 0 0 59 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 -0.228 57.8 137.5-121.3 45.3 18.3 36.2 56.3 439 112 C K H > S+ 0 0 66 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.871 71.5 53.7 -60.4 -43.3 14.5 35.7 56.1 440 113 C N H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.0 46.2 -56.8 -45.6 14.3 35.5 52.3 441 114 C L H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.883 113.6 47.7 -69.2 -39.3 16.9 32.7 52.3 442 115 C I H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.912 111.5 50.9 -67.3 -42.4 15.3 30.8 55.1 443 116 C N H X S+ 0 0 17 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.903 111.6 47.9 -58.7 -42.6 11.9 31.1 53.4 444 117 C K H X S+ 0 0 10 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.890 111.2 50.5 -65.3 -41.4 13.4 29.8 50.2 445 118 C S H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.918 109.9 51.2 -60.5 -44.9 15.1 26.9 52.1 446 119 C D H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.934 110.1 47.8 -58.7 -49.7 11.7 26.1 53.7 447 120 C L H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 110.3 53.1 -57.1 -44.4 9.9 26.0 50.3 448 121 C T H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.897 108.3 50.3 -59.9 -41.8 12.7 23.8 48.9 449 122 C L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.912 106.9 54.8 -58.9 -45.6 12.2 21.4 51.8 450 123 C V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.861 103.1 55.9 -59.2 -35.2 8.5 21.3 51.1 451 124 C Q H X S+ 0 0 18 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.905 108.0 48.5 -63.1 -40.1 9.4 20.3 47.5 452 125 C I H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 3,-0.4 0.922 108.9 53.3 -64.1 -44.0 11.3 17.3 48.9 453 126 C L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.903 102.7 57.9 -55.8 -43.8 8.3 16.5 51.2 454 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R G >< S+ 0 0 9 -4,-2.3 3,-1.9 1,-0.3 4,-0.4 0.820 76.9 66.4 -58.5 -28.4 -26.9 38.2 59.6 655 328 C A G >> S+ 0 0 62 1,-0.3 3,-1.5 -5,-0.2 4,-0.6 0.864 90.2 64.8 -58.7 -36.0 -30.1 36.2 60.2 656 329 C L G <4 S+ 0 0 46 -3,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.711 108.6 41.2 -55.9 -22.1 -28.5 34.9 63.5 657 330 C L G <4 S+ 0 0 0 -3,-1.9 10,-0.3 -4,-0.4 -1,-0.3 0.393 100.3 74.8-105.1 -1.0 -28.7 38.5 64.7 658 331 C E T <4 S+ 0 0 11 -3,-1.5 -2,-0.1 -4,-0.4 -3,-0.1 0.694 95.5 38.7 -94.5 -23.1 -32.1 39.6 63.4 659 332 C S S < S+ 0 0 99 -4,-0.6 2,-0.6 1,-0.1 -1,-0.1 0.785 96.0 80.0-100.2 -34.6 -34.7 37.9 65.6 660 333 C D > - 0 0 78 -4,-0.2 3,-2.2 1,-0.1 4,-0.4 -0.683 67.4-150.4 -83.6 117.1 -33.1 38.2 69.1 661 334 C E G > S+ 0 0 178 -2,-0.6 3,-1.0 1,-0.3 4,-0.4 0.778 95.2 61.4 -57.0 -33.4 -33.6 41.7 70.5 662 335 C S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.620 104.7 49.7 -69.2 -14.0 -30.4 41.5 72.5 663 336 C L G <> S+ 0 0 17 -3,-2.2 4,-2.1 1,-0.1 -1,-0.2 0.417 84.3 91.5-103.4 -0.8 -28.4 41.1 69.2 664 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I H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.579 95.7 101.2-102.3 -9.9 -29.0 51.6 -5.8 1015 725 C Y H X S+ 0 0 3 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.845 83.2 38.0 -55.5 -58.5 -27.9 47.9 -6.2 1016 726 C Y H > S+ 0 0 141 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.899 120.6 45.5 -66.0 -41.7 -26.8 47.5 -9.8 1017 727 C N H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 110.5 56.3 -66.5 -32.1 -25.0 50.9 -10.0 1018 728 C M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.902 108.1 46.3 -66.7 -42.5 -23.5 50.2 -6.6 1019 729 C L H X S+ 0 0 8 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.815 111.7 52.0 -70.3 -31.0 -21.9 47.0 -7.9 1020 730 C Q H X S+ 0 0 112 -4,-1.7 4,-2.4 -5,-0.2 -2,-0.2 0.904 109.3 50.3 -66.3 -41.8 -20.7 48.8 -11.0 1021 731 C L H X S+ 0 0 9 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.902 105.7 56.3 -61.8 -42.8 -19.2 51.4 -8.7 1022 732 C Y H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.904 110.0 46.1 -52.5 -46.1 -17.5 48.6 -6.7 1023 733 C R H X S+ 0 0 102 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.926 112.3 49.3 -63.9 -46.9 -15.9 47.4 -10.0 1024 734 C A H X S+ 0 0 27 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 113.4 46.4 -57.4 -49.9 -14.8 50.9 -11.1 1025 735 C V H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.893 108.7 55.9 -62.0 -42.4 -13.3 51.7 -7.7 1026 736 C S H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.890 106.8 50.7 -55.5 -42.3 -11.5 48.3 -7.7 1027 737 C S H X S+ 0 0 79 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.890 108.4 52.1 -63.9 -41.2 -9.9 49.2 -11.1 1028 738 C M H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 110.3 48.6 -59.9 -43.5 -8.7 52.5 -9.6 1029 739 C I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.945 113.1 45.9 -63.5 -50.4 -7.1 50.7 -6.7 1030 740 C S H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.907 113.2 50.4 -57.6 -46.2 -5.3 48.1 -8.9 1031 741 C A H X S+ 0 0 59 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.902 110.2 50.0 -58.5 -44.7 -4.1 50.9 -11.3 1032 742 C Q H X S+ 0 0 38 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.898 110.7 48.6 -63.3 -43.5 -2.8 52.9 -8.4 1033 743 C V H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.888 111.6 51.0 -64.2 -38.7 -0.9 49.9 -7.0 1034 744 C A H < S+ 0 0 88 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.910 118.2 37.4 -62.9 -43.4 0.5 49.2 -10.4 1035 745 C A H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.811 132.6 23.3 -80.5 -35.1 1.7 52.8 -10.9 1036 746 C E H < S- 0 0 99 -4,-2.8 3,-0.3 1,-0.2 -3,-0.2 0.559 102.6-122.7-111.7 -13.5 2.9 53.6 -7.3 1037 747 C G >< - 0 0 31 -4,-2.1 3,-2.4 -5,-0.4 4,-0.3 -0.232 51.8 -47.2 90.5 176.0 3.6 50.2 -5.7 1038 748 C L G > S+ 0 0 90 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.796 127.6 73.5 -52.6 -32.4 2.2 48.6 -2.6 1039 749 C I G >> S+ 0 0 65 1,-0.3 3,-2.2 -3,-0.3 4,-0.6 0.774 78.4 77.5 -56.2 -26.2 2.8 51.9 -0.7 1040 750 C A G X4 S+ 0 0 0 -3,-2.4 3,-1.2 1,-0.3 6,-0.5 0.814 82.0 66.6 -49.0 -34.4 -0.2 53.2 -2.7 1041 751 C T G <4 S+ 0 0 10 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.647 97.4 53.4 -67.8 -15.4 -2.4 51.2 -0.2 1042 752 C K G <4 S+ 0 0 95 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.626 87.3 105.7 -89.5 -16.6 -1.3 53.6 2.6 1043 753 C T S S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.892 112.2 55.1 -51.3 -41.6 -5.4 58.8 1.7 1045 755 C K H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.951 112.2 39.3 -58.5 -53.5 -6.7 58.3 -1.9 1046 756 C V H > S+ 0 0 0 -6,-0.5 4,-2.7 2,-0.2 5,-0.2 0.906 113.9 53.1 -69.0 -42.8 -6.5 54.5 -1.9 1047 757 C R H X S+ 0 0 58 -4,-2.5 4,-1.9 -7,-0.2 -1,-0.2 0.915 110.9 50.6 -55.3 -39.9 -7.7 54.1 1.7 1048 758 C G H X S+ 0 0 18 -4,-2.1 4,-1.3 -5,-0.3 -2,-0.2 0.894 109.2 48.9 -64.1 -43.6 -10.7 56.2 0.6 1049 759 C L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.895 111.6 49.6 -63.2 -41.4 -11.4 54.0 -2.4 1050 760 C R H X S+ 0 0 41 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.843 102.1 62.1 -67.7 -33.7 -11.2 50.9 -0.2 1051 761 C T H X S+ 0 0 37 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.906 102.5 52.0 -56.5 -40.4 -13.6 52.5 2.3 1052 762 C I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.954 111.9 45.4 -60.2 -49.9 -16.2 52.6 -0.6 1053 763 C K H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.929 114.3 48.4 -57.3 -49.0 -15.6 48.8 -1.2 1054 764 C K H X S+ 0 0 62 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.894 112.3 48.1 -61.4 -41.9 -15.8 48.0 2.5 1055 765 C E H X S+ 0 0 20 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.844 109.7 52.2 -71.6 -34.7 -19.0 50.0 3.0 1056 766 C I H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.927 112.2 46.7 -60.6 -46.6 -20.6 48.4 -0.0 1057 767 C L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.908 112.2 50.9 -61.9 -43.2 -19.7 45.0 1.4 1058 768 C K H X S+ 0 0 106 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.908 108.5 52.0 -60.9 -44.2 -21.0 46.1 4.8 1059 769 C L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.915 113.3 43.1 -60.4 -45.7 -24.3 47.3 3.3 1060 770 C V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.941 115.6 48.9 -67.1 -46.3 -24.9 44.0 1.5 1061 771 C E H X S+ 0 0 38 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.913 111.5 50.5 -56.4 -46.7 -23.9 41.9 4.6 1062 772 C T H X S+ 0 0 11 -4,-3.2 4,-1.0 -5,-0.2 -1,-0.2 0.931 114.2 43.4 -59.6 -48.6 -26.1 44.0 6.8 1063 773 C Y H >X S+ 0 0 5 -4,-2.4 3,-0.8 -5,-0.2 4,-0.8 0.949 115.2 47.2 -63.9 -50.4 -29.1 43.5 4.6 1064 774 C I H >< S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 -2,-0.2 0.897 106.1 58.9 -61.6 -37.7 -28.6 39.8 3.9 1065 775 C S H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.815 118.2 32.6 -59.9 -28.4 -28.1 39.1 7.7 1066 776 C K H << S+ 0 0 92 -4,-1.0 -61,-0.5 -3,-0.8 -1,-0.2 0.384 89.5 130.4-108.6 1.2 -31.6 40.6 8.3 1067 777 C A << - 0 0 16 -3,-0.9 3,-0.1 -4,-0.8 -62,-0.1 -0.269 32.6-176.3 -65.3 139.4 -33.4 39.5 5.1 1068 778 C R S S+ 0 0 213 1,-0.2 2,-1.0 -63,-0.1 3,-0.2 0.671 76.0 65.7-103.4 -27.0 -36.7 37.7 5.4 1069 779 C N > + 0 0 73 1,-0.2 4,-1.4 -64,-0.1 3,-0.2 -0.760 58.3 170.2 -96.5 89.9 -37.2 37.1 1.6 1070 780 C L H > S+ 0 0 54 -2,-1.0 4,-2.3 1,-0.2 5,-0.2 0.754 71.4 65.6 -72.2 -26.9 -34.4 34.7 0.9 1071 781 C D H > S+ 0 0 90 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.925 104.3 45.3 -61.5 -45.6 -35.7 33.9 -2.6 1072 782 C D H >>S+ 0 0 53 -3,-0.2 4,-2.8 2,-0.2 5,-1.3 0.873 109.3 56.2 -62.8 -41.0 -35.0 37.5 -3.7 1073 783 C V H X>S+ 0 0 0 -4,-1.4 5,-2.6 3,-0.2 4,-0.8 0.960 115.4 37.9 -55.0 -50.1 -31.5 37.4 -2.0 1074 784 C V H <>S+ 0 0 28 -4,-2.3 5,-0.6 3,-0.2 -2,-0.2 0.924 123.9 38.6 -68.9 -45.7 -30.6 34.3 -4.1 1075 785 C K H <5S+ 0 0 142 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.782 132.4 19.9 -83.3 -26.4 -32.3 35.3 -7.4 1076 786 C V H <5S+ 0 0 40 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.787 129.9 30.9-109.4 -42.1 -31.5 39.1 -7.4 1077 787 C L T X S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.894 113.8 54.1 -63.1 -37.5 -24.2 40.0 -9.2 1081 791 C L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.961 111.7 42.9 -55.1 -55.9 -22.5 40.2 -5.8 1082 792 C L H X>S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 5,-0.5 0.923 114.0 51.5 -61.0 -44.9 -20.3 37.1 -6.4 1083 793 C N H <5S+ 0 0 82 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.887 114.8 44.4 -56.8 -40.0 -19.5 38.3 -10.0 1084 794 C A H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.854 125.9 24.7 -74.5 -36.6 -18.5 41.8 -8.6 1085 795 C V H X5S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -3,-0.2 0.788 107.4 62.4-105.2 -32.6 -16.4 40.7 -5.6 1086 796 C L H X5S+ 0 0 4 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.956 106.1 40.2 -70.5 -56.0 -14.9 37.2 -6.0 1087 797 C E H > S+ 0 0 31 -5,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.900 110.4 45.1 -59.1 -42.4 -11.5 41.0 -7.8 1089 799 C Y H >< S+ 0 0 2 -4,-1.8 3,-1.2 2,-0.2 -2,-0.2 0.983 115.9 45.8 -62.6 -56.4 -10.5 39.5 -4.4 1090 800 C M H 3< S+ 0 0 68 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.852 115.8 45.9 -54.0 -42.6 -8.7 36.5 -6.0 1091 801 C N H 3< S+ 0 0 103 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 0.380 93.3 90.4 -94.5 2.9 -6.8 38.6 -8.6 1092 802 C N S << S- 0 0 14 -3,-1.2 5,-0.1 -4,-0.6 -62,-0.0 -0.667 88.3 -97.9 -86.9 152.8 -5.6 41.4 -6.4 1093 803 C V >> - 0 0 68 -2,-0.3 3,-2.3 1,-0.1 4,-0.6 -0.354 44.0-101.9 -61.0 150.8 -2.2 41.3 -4.7 1094 804 C P G >4 S+ 0 0 52 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.854 120.7 55.7 -44.2 -46.9 -2.5 40.2 -1.0 1095 805 C D G 34 S+ 0 0 48 1,-0.3 -2,-0.0 3,-0.0 47,-0.0 0.587 107.1 50.1 -67.5 -13.2 -2.1 43.7 0.3 1096 806 C A G <4 S+ 0 0 2 -3,-2.3 2,-0.3 -7,-0.1 -1,-0.3 0.468 85.1 107.9-102.9 -5.6 -5.1 45.0 -1.7 1097 807 C R << - 0 0 23 -3,-1.4 2,-0.6 -4,-0.6 48,-0.1 -0.587 65.2-137.9 -75.4 130.4 -7.5 42.2 -0.7 1098 808 C D >> - 0 0 5 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.812 4.2-152.4 -91.4 121.8 -10.2 43.3 1.7 1099 809 C A H >> S+ 0 0 6 -2,-0.6 4,-1.8 1,-0.3 3,-0.6 0.765 92.7 76.5 -59.5 -25.4 -11.0 40.9 4.6 1100 810 C E H 3> S+ 0 0 70 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.738 83.6 64.0 -59.7 -25.1 -14.5 42.3 4.5 1101 811 C V H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 -1,-0.3 0.949 103.4 46.8 -61.1 -46.2 -15.1 40.2 1.4 1102 812 C L H S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.6 0.953 114.4 41.2 -55.9 -51.1 -24.2 34.9 2.4 1109 819 C V H X5S+ 0 0 0 -4,-3.1 4,-1.4 3,-0.2 5,-0.4 0.905 114.1 53.8 -64.8 -41.8 -23.4 31.3 3.2 1110 820 C E H <5S+ 0 0 71 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.904 119.7 31.4 -57.3 -44.4 -25.0 31.5 6.7 1111 821 C K H <5S+ 0 0 77 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.874 141.3 6.9 -88.3 -42.1 -28.3 32.8 5.3 1112 822 C V H >X5S+ 0 0 0 -4,-2.6 3,-2.5 -5,-0.3 4,-0.8 0.353 87.7 113.0-126.7 7.8 -28.7 31.3 1.8 1113 823 C G G >< S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.892 81.6 44.2 -53.3 -43.1 -24.5 25.0 -3.8 1118 828 C Q H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.850 110.8 55.4 -71.1 -34.2 -22.6 26.2 -6.9 1119 829 C G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 105.7 51.6 -63.1 -38.8 -22.2 29.7 -5.5 1120 830 C V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 109.0 50.5 -65.9 -43.2 -20.5 28.3 -2.4 1121 831 C I H X S+ 0 0 25 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.928 109.3 51.9 -57.0 -45.5 -18.1 26.3 -4.6 1122 832 C L H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.905 108.3 51.7 -57.4 -43.6 -17.4 29.5 -6.5 1123 833 C I H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 5,-0.3 0.933 111.0 46.8 -60.0 -49.4 -16.6 31.3 -3.1 1124 834 C L H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.4 0.934 111.2 51.5 -58.4 -49.1 -14.2 28.5 -2.1 1125 835 C Q H < S+ 0 0 133 -4,-2.7 4,-0.2 1,-0.2 5,-0.2 0.879 114.1 44.6 -56.6 -39.2 -12.4 28.5 -5.5 1126 836 C S H < S+ 0 0 14 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.733 130.3 15.8 -80.4 -26.9 -11.9 32.3 -5.4 1127 837 C V H X S+ 0 0 2 -4,-1.6 4,-1.5 -3,-0.4 5,-0.3 0.568 104.2 78.3-124.7 -16.9 -10.8 32.8 -1.7 1128 838 C F H X S+ 0 0 3 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.993 102.5 29.7 -66.1 -64.6 -9.7 29.5 -0.2 1129 839 C E H > S+ 0 0 111 -5,-0.4 4,-2.0 -4,-0.2 -1,-0.1 0.892 121.7 49.6 -67.3 -41.1 -6.2 28.9 -1.6 1130 840 C C H > S+ 0 0 26 -5,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.906 114.8 44.7 -67.5 -38.0 -5.2 32.5 -2.1 1131 841 C T H >X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 3,-0.6 0.919 110.3 54.6 -70.5 -42.3 -6.2 33.4 1.5 1132 842 C L H 3X S+ 0 0 9 -4,-2.5 4,-0.9 -5,-0.3 3,-0.5 0.908 105.8 53.1 -55.2 -42.9 -4.5 30.3 3.0 1133 843 C D H 3< S+ 0 0 92 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 106.3 54.0 -64.8 -28.8 -1.3 31.3 1.3 1134 844 C M H << S+ 0 0 8 -4,-0.9 3,-0.3 -3,-0.6 -1,-0.2 0.822 118.2 33.5 -68.0 -34.7 -1.5 34.8 3.0 1135 845 C I H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.356 99.0 77.2-110.9 3.6 -1.9 33.3 6.5 1136 846 C N S < S+ 0 0 60 -4,-0.9 -1,-0.2 1,-0.2 3,-0.1 0.173 79.8 68.2-106.7 16.9 0.2 30.1 6.5 1137 847 C K S S- 0 0 125 1,-0.4 2,-0.3 -3,-0.3 -1,-0.2 0.675 116.0 -8.7-104.0 -28.7 3.7 31.6 6.8 1138 848 C D - 0 0 58 3,-0.1 -1,-0.4 -3,-0.1 0, 0.0 -0.934 66.9-109.7-154.8 179.3 3.3 32.9 10.4 1139 849 C F S S+ 0 0 84 -2,-0.3 48,-0.1 1,-0.1 47,-0.1 0.503 106.2 47.3 -92.4 -1.8 0.6 33.4 13.0 1140 850 C T S S+ 0 0 104 6,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.780 76.8 97.9-115.5 -37.5 0.5 37.2 12.8 1141 851 C E S S+ 0 0 88 1,-0.2 5,-0.2 2,-0.1 -3,-0.1 -0.266 95.0 9.3 -64.6 147.0 0.4 38.6 9.3 1142 852 C Y S > S+ 0 0 38 3,-0.1 4,-2.5 1,-0.1 -1,-0.2 0.928 74.3 179.6 50.3 58.8 -3.1 39.6 7.9 1143 853 C P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.811 76.4 48.9 -61.3 -35.8 -4.8 39.2 11.3 1144 854 C E H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 111.6 49.1 -71.0 -40.0 -8.3 40.2 10.0 1145 855 C H H > S+ 0 0 17 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.941 109.5 53.9 -62.2 -48.0 -8.0 37.9 7.0 1146 856 C R H X S+ 0 0 2 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.913 111.7 43.3 -47.8 -54.3 -7.0 35.1 9.3 1147 857 C V H X S+ 0 0 18 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.944 118.3 42.7 -65.2 -49.2 -10.0 35.5 11.6 1148 858 C E H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.848 107.7 62.6 -67.9 -33.8 -12.6 35.9 8.8 1149 859 C F H X S+ 0 0 2 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.928 107.9 41.2 -55.4 -49.1 -11.0 33.1 6.8 1150 860 C Y H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.801 110.8 56.4 -76.6 -28.0 -11.8 30.5 9.5 1151 861 C K H X S+ 0 0 68 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.897 110.1 47.2 -63.2 -39.8 -15.3 32.0 10.2 1152 862 C L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.958 111.9 47.9 -65.9 -52.1 -16.0 31.4 6.5 1153 863 C L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.895 110.1 56.0 -55.3 -40.7 -14.7 27.9 6.4 1154 864 C K H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.924 110.2 41.7 -58.2 -49.6 -16.7 27.2 9.6 1155 865 C V H X S+ 0 0 4 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.864 114.7 51.5 -72.4 -34.0 -20.0 28.2 8.1 1156 866 C I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 7,-0.2 0.958 111.3 47.7 -62.7 -49.1 -19.3 26.4 4.8 1157 867 C N H < S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.868 118.3 43.0 -60.2 -39.0 -18.4 23.2 6.7 1158 868 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