==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-APR-08 2VS6 . COMPND 2 MOLECULE: RIBOSOME-INACTIVATING PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOSANTHES KIRILOWII; . AUTHOR P.H.TOO,M.K.MA,A.N.MAK,C.K.TUNG,G.ZHU,S.W.AU,K.B.WONG, . 495 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 3 3 2 0 4 2 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 4 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 0 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 0 A M 0 0 132 0, 0.0 2,-0.5 0, 0.0 368,-0.2 0.000 360.0 360.0 360.0 112.7 -7.9 -4.1 14.0 2 1 A D - 0 0 25 366,-3.2 2,-0.2 362,-0.1 49,-0.1 -0.443 360.0-173.7 -58.7 134.6 -8.8 -0.7 12.6 3 2 A V E -a 51 0A 13 47,-1.7 49,-2.6 -2,-0.5 2,-0.3 -0.647 5.1-170.4-129.6 173.1 -11.8 -0.6 10.2 4 3 A S E -a 52 0A 47 47,-0.2 2,-0.3 -2,-0.2 49,-0.2 -0.983 14.3-156.7-156.2 160.5 -13.6 2.0 8.0 5 4 A F E -a 53 0A 6 47,-2.4 49,-2.0 -2,-0.3 2,-0.5 -0.985 11.8-152.7-145.7 131.9 -16.6 2.8 5.8 6 5 A R E -a 54 0A 97 -2,-0.3 49,-0.2 47,-0.2 50,-0.1 -0.917 8.1-167.4-110.3 122.0 -16.8 5.4 3.0 7 6 A L > + 0 0 1 47,-3.0 3,-2.1 -2,-0.5 2,-0.5 0.813 66.8 97.6 -73.5 -30.3 -20.2 7.1 2.1 8 7 A S T 3 S- 0 0 47 47,-0.4 -2,-0.1 46,-0.3 48,-0.0 -0.462 110.2 -6.7 -62.3 112.0 -18.7 8.4 -1.1 9 8 A G T 3 S+ 0 0 77 -2,-0.5 -1,-0.3 1,-0.2 5,-0.1 0.555 97.1 167.1 78.2 8.2 -19.9 5.8 -3.7 10 9 A A < - 0 0 15 -3,-2.1 2,-0.3 4,-0.1 -1,-0.2 -0.127 10.6-178.8 -56.7 150.6 -21.3 3.6 -1.0 11 10 A T > - 0 0 63 1,-0.0 4,-1.8 119,-0.0 5,-0.2 -0.831 46.6 -94.9-139.8 175.5 -23.6 0.7 -1.9 12 11 A S H > S+ 0 0 60 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.875 126.9 50.6 -62.9 -36.2 -25.5 -2.1 -0.1 13 12 A S H > S+ 0 0 91 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.944 108.2 49.1 -66.0 -51.2 -22.5 -4.3 -0.8 14 13 A S H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.812 112.1 49.6 -61.9 -29.6 -19.9 -1.9 0.5 15 14 A Y H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.897 111.1 49.3 -74.9 -39.1 -21.9 -1.4 3.7 16 15 A G H X S+ 0 0 17 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.911 109.8 52.1 -63.4 -41.4 -22.2 -5.1 4.1 17 16 A V H X S+ 0 0 82 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.912 110.3 48.7 -60.4 -42.7 -18.4 -5.4 3.6 18 17 A F H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.935 112.0 46.9 -63.5 -48.3 -17.9 -2.8 6.3 19 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 110.7 54.0 -61.4 -39.2 -20.1 -4.5 8.8 20 19 A S H X S+ 0 0 48 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.917 111.0 45.7 -60.1 -44.0 -18.5 -7.8 8.0 21 20 A N H X S+ 0 0 68 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.838 109.3 55.2 -68.8 -34.7 -15.1 -6.1 8.8 22 21 A L H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.946 108.3 48.1 -63.8 -46.2 -16.4 -4.6 12.0 23 22 A R H >< S+ 0 0 43 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.870 108.6 55.9 -60.9 -36.8 -17.5 -8.0 13.3 24 23 A K H 3< S+ 0 0 156 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.758 98.8 59.6 -67.9 -26.9 -14.1 -9.4 12.4 25 24 A A T << S+ 0 0 15 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.575 87.2 91.0 -78.6 -8.0 -12.3 -6.8 14.5 26 25 A L S < S- 0 0 6 -3,-1.1 42,-0.1 -4,-0.4 -1,-0.0 -0.783 78.0-134.6 -91.6 115.2 -14.2 -8.1 17.5 27 26 A P + 0 0 45 0, 0.0 12,-0.8 0, 0.0 2,-0.3 -0.299 28.8 170.2 -70.2 153.2 -12.2 -10.9 19.3 28 27 A N E -F 38 0B 59 10,-0.2 10,-0.1 1,-0.1 3,-0.1 -0.956 29.2-162.6-160.3 143.6 -13.8 -14.1 20.5 29 28 A E E S+ 0 0 147 8,-0.5 2,-0.2 -2,-0.3 -1,-0.1 0.772 80.6 19.6 -95.7 -35.0 -12.5 -17.4 21.9 30 29 A R E -F 37 0B 146 7,-0.5 7,-2.6 5,-0.0 2,-0.3 -0.793 59.8-146.8-131.9 172.9 -15.7 -19.4 21.3 31 30 A K E -F 36 0B 119 5,-0.3 2,-0.5 -2,-0.2 3,-0.2 -0.986 9.2-150.7-138.5 143.6 -19.0 -19.4 19.3 32 31 A L E > S-F 35 0B 14 3,-2.4 3,-1.5 -2,-0.3 169,-0.0 -0.981 87.7 -11.0-119.7 117.5 -22.4 -20.7 20.5 33 32 A Y T 3 S- 0 0 96 -2,-0.5 -1,-0.2 1,-0.3 167,-0.0 0.910 131.2 -57.3 59.0 41.8 -24.5 -22.0 17.6 34 33 A D T 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.2 201,-0.0 0.548 111.7 124.4 67.3 9.0 -22.0 -20.4 15.2 35 34 A I E < -F 32 0B 8 -3,-1.5 -3,-2.4 205,-0.0 -1,-0.2 -0.892 67.8-116.8-102.4 120.3 -22.5 -17.0 16.9 36 35 A P E -F 31 0B 33 0, 0.0 205,-1.9 0, 0.0 2,-0.6 -0.258 21.9-141.1 -55.4 135.2 -19.3 -15.4 18.1 37 36 A L E -Fg 30 241B 8 -7,-2.6 -8,-0.5 203,-0.2 -7,-0.5 -0.900 21.5-127.4-101.5 116.2 -19.3 -14.9 21.9 38 37 A L E -F 28 0B 1 203,-2.5 -10,-0.2 -2,-0.6 30,-0.1 -0.222 32.7 -88.7 -63.7 152.4 -17.6 -11.6 22.8 39 38 A R - 0 0 74 -12,-0.8 204,-0.4 28,-0.3 3,-0.1 -0.207 25.3-129.9 -60.4 148.8 -14.8 -11.5 25.3 40 39 A S S S- 0 0 36 207,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.814 81.9 -33.0 -68.8 -31.8 -15.6 -11.1 29.0 41 40 A S - 0 0 82 26,-0.0 -1,-0.3 2,-0.0 205,-0.0 -0.939 58.6-150.0-178.2 164.3 -13.1 -8.2 29.2 42 41 A L - 0 0 9 -2,-0.3 5,-0.1 -3,-0.1 2,-0.1 -0.978 31.7 -93.0-148.1 156.7 -9.8 -7.1 27.9 43 42 A P >> - 0 0 68 0, 0.0 3,-3.1 0, 0.0 4,-1.7 -0.429 47.9-105.6 -68.4 146.7 -6.8 -5.0 29.0 44 43 A G H 3> S+ 0 0 7 1,-0.3 4,-0.5 2,-0.2 51,-0.0 0.754 119.2 59.4 -44.2 -33.4 -7.0 -1.3 28.0 45 44 A S H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.508 117.7 30.2 -78.5 -3.8 -4.5 -1.7 25.2 46 45 A Q H <4 S+ 0 0 111 -3,-3.1 -2,-0.2 3,-0.0 -1,-0.2 0.431 101.0 83.6-125.4 -12.5 -6.6 -4.3 23.5 47 46 A R H < S+ 0 0 49 -4,-1.7 20,-2.7 -5,-0.1 21,-0.4 0.702 84.7 59.3 -69.2 -23.2 -10.1 -3.1 24.5 48 47 A Y E < + B 0 66A 32 -4,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.847 51.2 174.6-118.7 149.7 -10.6 -0.4 21.9 49 48 A A E - B 0 65A 6 16,-1.6 16,-2.2 -2,-0.3 2,-0.4 -0.915 26.6-119.6-139.1 162.7 -10.7 -0.3 18.1 50 49 A L E - B 0 64A 17 -2,-0.3 -47,-1.7 14,-0.2 2,-0.6 -0.875 9.7-158.9-115.7 143.6 -11.4 2.6 15.7 51 50 A I E -aB 3 63A 1 12,-2.4 12,-3.3 -2,-0.4 2,-0.7 -0.963 14.0-155.3-117.3 110.7 -14.1 3.0 13.1 52 51 A H E -aB 4 62A 7 -49,-2.6 -47,-2.4 -2,-0.6 2,-0.5 -0.796 12.8-169.5 -91.7 114.3 -13.2 5.6 10.5 53 52 A L E -aB 5 61A 0 8,-2.9 8,-2.2 -2,-0.7 2,-0.5 -0.904 6.5-169.3-110.2 129.1 -16.2 7.1 8.9 54 53 A T E -aB 6 60A 2 -49,-2.0 -47,-3.0 -2,-0.5 -46,-0.3 -0.964 9.9-152.5-117.9 124.3 -16.1 9.3 5.8 55 54 A N > - 0 0 0 4,-2.4 3,-1.8 -2,-0.5 -47,-0.4 -0.185 39.9 -85.2 -84.6-177.0 -19.2 11.2 4.6 56 55 A Y T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -49,-0.2 79,-0.0 0.862 127.8 56.8 -56.6 -40.7 -20.1 12.4 1.1 57 56 A A T 3 S- 0 0 67 77,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.306 120.2-109.9 -76.0 10.0 -18.0 15.6 1.4 58 57 A D S < S+ 0 0 99 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.809 70.5 145.9 65.9 31.9 -15.0 13.4 2.2 59 58 A E - 0 0 32 18,-0.0 -4,-2.4 2,-0.0 2,-0.4 -0.859 32.9-154.1-100.1 133.7 -15.0 14.5 5.9 60 59 A T E -B 54 0A 14 -2,-0.4 18,-0.4 -6,-0.2 2,-0.3 -0.905 18.6-178.3-120.3 140.5 -13.9 11.9 8.4 61 60 A I E -B 53 0A 0 -8,-2.2 -8,-2.9 -2,-0.4 2,-0.6 -0.951 22.1-136.8-125.5 146.7 -14.5 11.1 12.0 62 61 A S E -BC 52 76A 20 14,-2.2 14,-2.4 -2,-0.3 2,-0.5 -0.929 16.2-155.2-107.9 122.9 -12.9 8.3 14.0 63 62 A V E -BC 51 75A 0 -12,-3.3 -12,-2.4 -2,-0.6 2,-0.5 -0.855 6.4-145.1-102.2 127.0 -15.3 6.4 16.4 64 63 A A E -BC 50 74A 0 10,-2.3 9,-2.6 -2,-0.5 10,-1.0 -0.766 21.0-176.9 -92.6 129.3 -13.9 4.6 19.3 65 64 A I E -BC 49 72A 1 -16,-2.2 -16,-1.6 -2,-0.5 2,-0.7 -0.940 31.8-123.5-127.7 150.2 -15.6 1.4 20.4 66 65 A D E >>> -BC 48 71A 18 5,-2.6 4,-2.0 -2,-0.3 3,-1.0 -0.804 24.6-151.2 -85.9 118.0 -15.1 -1.1 23.3 67 66 A V T 345S+ 0 0 4 -20,-2.7 -28,-0.3 -2,-0.7 -1,-0.1 0.539 87.5 66.0 -73.5 -3.8 -14.6 -4.4 21.4 68 67 A T T 345S+ 0 0 4 -21,-0.4 175,-0.5 -30,-0.1 -1,-0.2 0.710 126.7 6.7 -87.1 -20.3 -16.1 -6.6 24.1 69 68 A N T <45S- 0 0 17 178,-1.7 -2,-0.2 -3,-1.0 -1,-0.1 0.356 95.8-117.8-141.0 2.1 -19.6 -5.1 23.8 70 69 A V T <5 + 0 0 0 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.747 58.2 157.5 61.8 27.8 -19.4 -2.8 20.7 71 70 A Y E < -C 66 0A 96 -5,-0.7 -5,-2.6 89,-0.1 2,-0.5 -0.613 43.2-124.4 -84.1 142.1 -20.2 0.3 22.7 72 71 A I E -C 65 0A 9 -2,-0.3 -7,-0.2 -7,-0.2 17,-0.1 -0.754 24.5-178.1 -87.1 127.5 -19.2 3.7 21.4 73 72 A M E - 0 0 3 -9,-2.6 11,-2.3 -2,-0.5 2,-0.3 0.732 60.6 -64.9 -93.3 -30.0 -17.0 5.6 24.0 74 73 A G E -CD 64 83A 0 -10,-1.0 -10,-2.3 9,-0.2 -1,-0.4 -0.969 49.9-113.2 168.4-166.6 -16.7 8.7 21.8 75 74 A Y E -CD 63 82A 0 7,-1.9 7,-2.9 -2,-0.3 2,-0.4 -0.952 13.4-128.2-152.1 170.3 -15.2 9.9 18.6 76 75 A R E -CD 62 81A 45 -14,-2.4 -14,-2.2 -2,-0.3 2,-0.4 -0.974 13.0-175.5-129.6 139.7 -12.6 12.2 17.1 77 76 A A E > - D 0 80A 9 3,-2.9 3,-1.7 -2,-0.4 2,-0.4 -0.905 65.9 -53.8-135.7 103.2 -12.8 15.0 14.5 78 77 A G T 3 S- 0 0 56 -2,-0.4 -16,-0.0 -18,-0.4 63,-0.0 -0.522 123.2 -13.2 69.7-118.9 -9.5 16.5 13.6 79 78 A D T 3 S+ 0 0 79 -2,-0.4 23,-2.0 21,-0.1 2,-0.4 0.307 121.2 87.6 -99.8 7.9 -7.7 17.7 16.7 80 79 A T E < -De 77 102A 23 -3,-1.7 -3,-2.9 21,-0.2 2,-0.3 -0.914 56.6-162.6-114.9 134.8 -10.8 17.4 18.9 81 80 A S E -De 76 103A 1 21,-3.4 23,-2.8 -2,-0.4 2,-0.4 -0.817 5.1-157.3-109.1 150.5 -11.9 14.3 20.8 82 81 A Y E -De 75 104A 16 -7,-2.9 -7,-1.9 -2,-0.3 2,-0.4 -0.979 10.1-174.1-133.2 121.8 -15.4 13.8 22.2 83 82 A F E -De 74 105A 6 21,-2.7 23,-3.0 -2,-0.4 -9,-0.2 -0.898 27.8-111.8-119.1 145.8 -16.3 11.4 25.1 84 83 A F - 0 0 2 -11,-2.3 2,-1.8 -2,-0.4 25,-0.3 -0.333 37.5-108.7 -66.3 152.6 -19.6 10.4 26.6 85 84 A N S S+ 0 0 96 23,-2.5 2,-0.3 4,-0.1 24,-0.1 -0.541 83.5 92.3 -86.3 74.4 -20.1 11.6 30.1 86 85 A E S > S- 0 0 56 -2,-1.8 4,-2.4 -13,-0.1 5,-0.2 -0.982 87.7 -99.5-158.9 160.7 -19.8 8.2 31.9 87 86 A A H > S+ 0 0 86 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.814 117.5 57.7 -53.5 -36.9 -17.2 6.0 33.6 88 87 A S H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.964 110.6 41.3 -59.5 -54.2 -16.7 3.9 30.5 89 88 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.911 110.4 56.9 -60.8 -45.8 -15.7 6.8 28.3 90 89 A T H < S+ 0 0 87 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.865 110.2 46.9 -54.1 -37.3 -13.6 8.4 31.0 91 90 A E H >< S+ 0 0 59 -4,-1.7 3,-1.2 -5,-0.2 -1,-0.2 0.881 110.5 51.1 -72.7 -40.2 -11.6 5.1 31.0 92 91 A A H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-2.4 0.837 96.0 70.0 -66.9 -32.0 -11.4 4.9 27.2 93 92 A A T 3< S+ 0 0 17 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 90.9 62.9 -58.5 -18.9 -10.0 8.5 27.1 94 93 A K T <4 S+ 0 0 128 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.635 115.9 28.0 -80.3 -15.5 -6.9 7.1 28.7 95 94 A Y T <4 S+ 0 0 95 -3,-2.4 3,-0.3 -4,-0.2 2,-0.3 0.729 113.3 56.9-116.4 -32.8 -6.2 4.9 25.7 96 95 A V S < S+ 0 0 15 -4,-2.6 -1,-0.1 1,-0.2 -32,-0.0 -0.774 105.6 5.8-111.4 153.9 -7.7 6.5 22.6 97 96 A F S > S+ 0 0 15 -2,-0.3 3,-1.0 1,-0.1 -1,-0.2 0.836 72.9 152.4 51.9 39.1 -7.3 9.9 20.8 98 97 A K T 3 + 0 0 79 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.660 65.5 54.6 -73.7 -15.2 -4.5 10.8 23.2 99 98 A D T 3 S+ 0 0 11 336,-0.0 2,-0.7 3,-0.0 -1,-0.2 0.430 79.2 107.5 -95.9 -1.1 -2.8 13.1 20.7 100 99 A A < - 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0 0 83 -2,-0.3 3,-2.2 -3,-0.1 4,-0.4 -0.644 38.5 -99.6 -97.2 160.2 -36.8 8.7 20.6 123 122 A R G > S+ 0 0 16 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.844 119.7 59.4 -45.0 -45.8 -35.1 6.3 18.1 124 123 A E G 3 S+ 0 0 53 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.685 101.3 55.2 -62.9 -17.2 -38.3 5.7 16.1 125 124 A N G < S+ 0 0 100 -3,-2.2 -1,-0.3 56,-0.1 -2,-0.2 0.482 94.4 85.3 -92.3 -3.3 -38.6 9.4 15.3 126 125 A I S < S- 0 0 6 -3,-2.0 54,-0.1 -4,-0.4 -1,-0.1 -0.876 79.1-127.7-106.9 117.5 -35.1 9.5 13.8 127 126 A P - 0 0 48 0, 0.0 54,-0.2 0, 0.0 2,-0.2 -0.202 25.1-167.1 -59.3 143.8 -34.4 8.5 10.2 128 127 A L B +H 180 0C 0 52,-2.7 52,-1.4 4,-0.1 2,-0.1 -0.665 32.9 97.6-121.6 179.3 -31.8 5.8 9.4 129 128 A G S >> S- 0 0 0 -2,-0.2 4,-2.0 50,-0.2 3,-0.9 -0.360 86.0 -68.7 118.3 160.2 -30.2 4.8 6.1 130 129 A L H 3> S+ 0 0 1 45,-2.2 4,-2.3 42,-0.8 46,-0.2 0.866 132.7 52.3 -53.0 -42.4 -26.9 5.7 4.5 131 130 A P H 3> S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.831 108.5 53.1 -64.6 -28.7 -27.9 9.3 3.8 132 131 A A H <> S+ 0 0 12 -3,-0.9 4,-2.1 46,-0.2 -2,-0.2 0.899 107.6 50.4 -70.1 -40.5 -28.8 9.6 7.4 133 132 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.910 107.8 53.7 -63.0 -43.5 -25.3 8.3 8.4 134 133 A D H X S+ 0 0 26 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.935 111.2 45.1 -54.9 -50.7 -23.7 10.9 6.1 135 134 A S H X S+ 0 0 71 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.850 110.5 54.0 -64.1 -36.4 -25.7 13.7 7.7 136 135 A A H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.912 106.7 52.4 -65.9 -39.8 -24.9 12.4 11.2 137 136 A I H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.929 107.7 52.5 -60.8 -45.3 -21.2 12.4 10.4 138 137 A T H X S+ 0 0 51 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.924 108.8 48.2 -57.3 -48.4 -21.4 16.1 9.3 139 138 A T H <>S+ 0 0 17 -4,-2.1 5,-2.9 1,-0.2 -1,-0.2 0.837 116.5 43.9 -65.0 -29.4 -23.1 17.2 12.5 140 139 A L H <5S+ 0 0 1 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.853 107.8 58.5 -81.6 -35.4 -20.5 15.3 14.6 141 140 A F H <5S+ 0 0 57 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.902 121.2 27.4 -58.4 -44.9 -17.5 16.5 12.4 142 141 A Y T <5S- 0 0 146 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.267 110.8-125.7-100.1 7.5 -18.4 20.2 13.1 143 142 A Y T 5 - 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0 0 22 -3,-1.7 -20,-0.2 1,-0.1 -21,-0.1 -0.497 55.4-147.9 -73.7 147.8 11.0 2.3 -14.4 349 100 B M S S+ 0 0 130 -22,-1.6 2,-0.4 1,-0.2 -21,-0.2 0.765 81.9 38.2 -89.1 -26.6 9.3 -0.4 -16.4 350 101 B R E -o 328 0F 172 -23,-2.0 -21,-2.6 2,-0.0 2,-0.5 -0.989 67.5-163.8-127.0 132.9 6.2 -0.9 -14.1 351 102 B K E -o 329 0F 143 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.970 8.1-170.6-118.8 124.5 4.4 2.0 -12.4 352 103 B V E -o 330 0F 47 -23,-3.4 -21,-2.5 -2,-0.5 2,-0.6 -0.935 14.7-145.7-117.7 138.6 2.1 1.2 -9.5 353 104 B T E -o 331 0F 85 -2,-0.4 -21,-0.2 -23,-0.2 -20,-0.1 -0.901 23.3-129.3-103.7 115.7 -0.3 3.6 -7.7 354 105 B L - 0 0 0 -23,-2.5 2,-0.4 -2,-0.6 -21,-0.1 -0.323 20.2-119.3 -60.6 142.7 -0.7 2.8 -4.0 355 106 B P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.091 91.5 48.6 -74.1 28.0 -4.3 2.6 -2.9 356 107 B Y S S- 0 0 21 -2,-0.4 -23,-2.7 -22,-0.0 -2,-0.1 -0.988 80.9-111.9-160.1 160.8 -3.8 5.5 -0.5 357 108 B S - 0 0 18 -2,-0.3 -23,-0.1 -25,-0.2 -26,-0.0 -0.312 42.4-102.1 -86.7 179.2 -2.4 9.0 -0.2 358 109 B G S S+ 0 0 15 -2,-0.1 2,-0.2 4,-0.1 -38,-0.2 0.330 81.6 103.0 -91.4 9.9 0.7 9.8 1.9 359 110 B N S > S- 0 0 66 1,-0.1 4,-2.6 4,-0.0 3,-0.2 -0.557 76.2-116.0 -92.7 160.8 -0.8 11.3 5.1 360 111 B Y H > S+ 0 0 28 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.873 110.4 57.3 -57.6 -44.4 -1.2 9.6 8.4 361 112 B E H > S+ 0 0 86 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.920 115.1 38.5 -55.2 -45.5 -5.0 9.7 8.6 362 113 B R H > S+ 0 0 52 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 117.8 49.1 -74.1 -38.6 -5.2 7.8 5.3 363 114 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.2 0.893 109.0 51.4 -69.4 -40.4 -2.3 5.5 6.0 364 115 B Q H X>S+ 0 0 27 -4,-3.4 4,-1.4 2,-0.2 5,-0.9 0.842 111.0 49.7 -66.5 -30.6 -3.5 4.5 9.5 365 116 B T H <5S+ 0 0 21 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.950 113.0 46.1 -69.9 -47.7 -6.9 3.7 8.0 366 117 B A H <5S+ 0 0 53 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 117.8 43.3 -62.1 -37.0 -5.2 1.6 5.3 367 118 B A H <5S- 0 0 22 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.693 100.0-134.3 -83.3 -20.0 -3.0 -0.1 7.9 368 119 B G T <5S+ 0 0 5 -4,-1.4 -366,-3.2 1,-0.3 2,-0.3 0.659 77.4 84.5 73.6 15.4 -5.8 -0.6 10.4 369 120 B K S - 0 0 35 -2,-0.3 3,-2.1 -3,-0.1 4,-0.1 -0.721 32.8-108.0-104.4 156.6 -2.2 4.0 14.5 371 122 B R G > S+ 0 0 11 1,-0.3 3,-2.6 -2,-0.3 -1,-0.1 0.861 114.0 67.9 -45.8 -45.7 1.4 5.2 14.6 372 123 B E G 3 S+ 0 0 27 1,-0.3 -1,-0.3 57,-0.1 60,-0.0 0.722 102.6 45.6 -51.5 -26.2 1.5 4.7 18.4 373 124 B N G < S+ 0 0 91 -3,-2.1 -1,-0.3 56,-0.1 -2,-0.2 0.240 93.1 90.8-104.6 13.0 1.3 0.9 17.9 374 125 B I S < S- 0 0 4 -3,-2.6 54,-0.1 -4,-0.1 -1,-0.0 -0.940 78.7-123.0-113.6 114.3 3.9 0.6 15.1 375 126 B P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 54,-0.2 -0.146 26.8-163.9 -53.3 142.2 7.5 -0.0 16.3 376 127 B L B +R 428 0H 0 52,-2.9 52,-1.7 29,-0.0 2,-0.2 -0.785 35.8 85.2-122.9 169.0 10.2 2.4 15.2 377 128 B G S > S- 0 0 0 -2,-0.3 4,-2.0 50,-0.2 3,-0.2 -0.573 89.2 -61.2 124.4 171.4 14.0 2.1 15.2 378 129 B L H > S+ 0 0 0 45,-2.4 4,-2.6 42,-0.6 5,-0.2 0.889 132.1 52.6 -58.2 -42.9 16.7 0.7 12.9 379 130 B P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 111.3 49.6 -60.1 -36.6 15.4 -2.9 13.1 380 131 B A H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.844 108.6 50.7 -69.3 -36.6 12.0 -1.5 12.1 381 132 B L H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.919 108.8 53.1 -67.6 -41.8 13.5 0.5 9.2 382 133 B D H X S+ 0 0 32 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.951 112.1 43.8 -55.6 -53.1 15.2 -2.7 8.0 383 134 B S H X S+ 0 0 66 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.868 111.5 55.1 -61.3 -37.8 11.9 -4.6 8.1 384 135 B A H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.925 106.8 49.9 -62.0 -45.4 10.1 -1.7 6.4 385 136 B I H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.900 111.8 48.7 -59.7 -42.2 12.6 -1.7 3.6 386 137 B T H X S+ 0 0 47 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.934 110.2 50.8 -63.0 -48.3 12.1 -5.4 3.1 387 138 B T H <>S+ 0 0 31 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.887 116.4 40.5 -56.8 -44.0 8.3 -5.1 3.1 388 139 B L H <5S+ 0 0 1 -4,-2.3 3,-0.4 3,-0.2 -1,-0.2 0.814 109.7 59.6 -76.8 -30.9 8.3 -2.4 0.5 389 140 B F H <5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.919 118.3 30.3 -63.2 -44.9 11.1 -4.0 -1.6 390 141 B Y T <5S- 0 0 145 -4,-2.2 -1,-0.2 -5,-0.1 3,-0.2 0.276 108.6-130.8 -95.4 7.5 8.9 -7.1 -2.1 391 142 B Y T 5 - 0 0 57 -3,-0.4 2,-1.7 1,-0.2 -3,-0.2 0.910 25.2-168.9 39.9 66.7 5.8 -4.9 -1.9 392 143 B N >>< - 0 0 84 -5,-2.5 3,-2.6 1,-0.2 4,-1.0 -0.728 10.4-158.7 -82.3 91.9 3.9 -7.1 0.6 393 144 B A H >> S+ 0 0 53 -2,-1.7 3,-0.8 1,-0.3 4,-0.6 0.826 82.7 61.6 -41.0 -48.2 0.7 -5.1 -0.1 394 145 B N H 34 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.617 116.7 31.0 -60.2 -12.7 -0.9 -6.0 3.2 395 146 B S H <> S+ 0 0 46 -3,-2.6 4,-2.4 -8,-0.1 -1,-0.2 0.462 90.4 97.8-124.1 -3.9 1.9 -4.4 5.2 396 147 B A H S+ 0 0 31 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 114.4 49.0 -59.4 -39.6 2.4 0.3 8.0 399 150 B A H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.826 107.5 55.8 -70.3 -31.2 5.9 0.1 6.5 400 151 B L H X S+ 0 0 3 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.859 102.8 54.3 -70.3 -33.5 5.5 3.5 4.8 401 152 B M H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.883 109.0 48.9 -67.7 -34.5 4.7 5.1 8.2 402 153 B V H X S+ 0 0 7 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.940 113.3 47.6 -66.5 -45.6 7.9 3.7 9.5 403 154 B L H X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.2 5,-0.3 0.916 111.5 50.2 -59.7 -46.3 9.7 5.1 6.4 404 155 B I H <>S+ 0 0 15 -4,-3.1 5,-1.7 1,-0.2 3,-0.5 0.921 114.5 43.1 -60.3 -46.0 8.1 8.5 6.7 405 156 B Q H <>S+ 0 0 0 -4,-2.2 5,-1.2 1,-0.2 -1,-0.2 0.822 111.3 54.4 -71.5 -31.1 9.0 8.9 10.4 406 157 B S H <5S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.625 128.4 16.0 -77.2 -14.1 12.5 7.5 9.9 407 158 B T T X5S+ 0 0 2 -4,-0.9 4,-2.9 -3,-0.5 5,-0.3 0.606 130.3 33.0-118.5 -82.2 13.1 10.1 7.2 408 159 B S H >5S+ 0 0 1 -4,-0.3 4,-1.7 -5,-0.3 -3,-0.2 0.900 126.4 39.0 -45.3 -57.9 10.7 13.1 6.9 409 160 B E H > S+ 0 0 109 71,-2.3 4,-2.9 -2,-0.4 5,-0.2 0.846 99.7 59.4 -60.2 -31.9 16.3 16.4 16.2 415 166 B F H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.928 108.3 41.9 -63.0 -46.2 14.3 14.7 19.0 416 167 B I H > S+ 0 0 0 -7,-0.2 4,-2.7 2,-0.2 5,-0.3 0.916 113.5 54.2 -67.4 -40.3 12.8 12.2 16.6 417 168 B E H X S+ 0 0 36 -4,-2.5 4,-2.9 -7,-0.5 -2,-0.2 0.942 111.7 44.7 -55.0 -51.7 16.2 11.8 14.9 418 169 B Q H X S+ 0 0 100 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.931 112.5 50.8 -59.8 -51.0 17.8 11.0 18.3 419 170 B Q H X S+ 0 0 56 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.940 117.0 39.0 -54.5 -53.5 15.0 8.6 19.4 420 171 B I H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.2 -42,-0.6 0.929 115.0 52.2 -65.3 -46.8 15.1 6.6 16.2 421 172 B G H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.758 104.1 57.3 -63.2 -25.9 18.8 6.6 15.8 422 173 B A H 3< S+ 0 0 54 -4,-1.9 2,-1.9 -5,-0.2 3,-0.3 0.736 87.3 81.6 -77.1 -22.3 19.4 5.4 19.3 423 174 B A << + 0 0 15 -3,-1.0 -45,-2.4 -4,-0.7 -1,-0.2 -0.508 53.3 144.6 -84.6 72.2 17.3 2.2 18.7 424 175 B V S S+ 0 0 43 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.957 77.1 15.5 -76.1 -54.8 20.1 0.2 17.0 425 176 B D S S+ 0 0 150 -3,-0.3 2,-0.3 -47,-0.1 -1,-0.2 -0.076 128.2 42.1-113.0 33.9 19.4 -3.3 18.1 426 177 B A - 0 0 52 -3,-0.1 -48,-0.3 2,-0.0 2,-0.3 -0.978 68.9-128.7-167.3 162.3 15.9 -2.8 19.4 427 178 B T - 0 0 71 -2,-0.3 2,-0.3 -50,-0.1 -50,-0.2 -0.746 16.0-168.8-118.7 166.5 12.5 -1.2 18.7 428 179 B F B -R 376 0H 48 -52,-1.7 -52,-2.9 -2,-0.3 -5,-0.0 -0.965 28.5-109.2-148.9 161.2 10.1 1.1 20.6 429 180 B L - 0 0 100 -2,-0.3 -57,-0.1 -54,-0.2 -56,-0.1 -0.824 47.9-104.8 -93.6 129.9 6.6 2.5 20.2 430 181 B P - 0 0 6 0, 0.0 -56,-0.1 0, 0.0 2,-0.1 -0.294 36.2-128.3 -57.3 134.9 6.7 6.2 19.5 431 182 B S > - 0 0 40 1,-0.1 4,-2.2 4,-0.0 3,-0.3 -0.299 25.0-103.4 -78.3 166.7 5.7 8.4 22.5 432 183 B L H > S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 33,-0.3 0.746 122.0 63.6 -62.3 -22.7 3.1 11.1 22.4 433 184 B A H > S+ 0 0 4 2,-0.2 4,-2.5 33,-0.2 -1,-0.2 0.955 105.2 43.2 -65.9 -49.0 5.9 13.6 22.3 434 185 B I H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.948 116.6 47.3 -60.8 -48.6 7.0 12.2 18.9 435 186 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 111.6 51.4 -58.4 -45.3 3.4 12.1 17.7 436 187 B S H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.915 109.6 49.5 -59.0 -45.9 2.7 15.6 19.0 437 188 B L H < S+ 0 0 9 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.928 111.4 48.7 -60.5 -46.9 5.8 16.9 17.1 438 189 B E H >< S+ 0 0 12 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.907 111.5 49.5 -60.6 -44.0 4.8 15.3 13.9 439 190 B N H 3< S+ 0 0 61 -4,-2.5 4,-0.3 1,-0.2 3,-0.3 0.802 115.1 44.8 -65.4 -30.7 1.2 16.6 14.1 440 191 B S T 3X S+ 0 0 17 -4,-1.7 4,-3.2 -5,-0.2 5,-0.3 0.303 75.1 105.0-100.6 9.5 2.4 20.2 14.8 441 192 B W H <> S+ 0 0 8 -3,-0.9 4,-2.6 -4,-0.5 49,-0.3 0.934 86.6 47.4 -54.6 -46.4 5.2 20.7 12.3 442 193 B S H > S+ 0 0 45 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.942 114.8 44.3 -58.8 -52.3 2.9 22.9 10.2 443 194 B A H > S+ 0 0 43 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.924 115.1 47.9 -61.3 -47.0 1.7 25.0 13.1 444 195 B L H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.914 111.5 50.4 -60.7 -45.0 5.2 25.4 14.6 445 196 B S H X S+ 0 0 0 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.884 112.9 46.7 -60.8 -40.6 6.7 26.3 11.3 446 197 B K H X S+ 0 0 78 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.930 112.4 48.2 -69.3 -46.7 4.0 29.0 10.7 447 198 B Q H X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.877 109.1 53.6 -63.9 -37.2 4.2 30.5 14.2 448 199 B I H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.858 110.2 47.4 -66.4 -34.0 8.0 30.7 14.0 449 200 B Q H < S+ 0 0 7 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.859 113.9 47.6 -74.0 -35.4 7.8 32.6 10.7 450 201 B I H >< S+ 0 0 19 -4,-2.1 3,-1.9 1,-0.2 4,-0.3 0.925 107.6 55.9 -69.1 -43.6 5.1 34.9 12.2 451 202 B A H ><>S+ 0 0 0 -4,-3.0 5,-3.5 1,-0.3 3,-1.0 0.797 94.7 67.7 -59.5 -28.3 7.2 35.5 15.3 452 203 B S T 3<5S+ 0 0 48 -4,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.758 111.9 33.1 -64.6 -22.1 10.1 36.7 13.1 453 204 B T T < 5S+ 0 0 112 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.277 117.4 59.1-112.2 6.1 7.9 39.7 12.3 454 205 B N T X 5S- 0 0 68 -3,-1.0 3,-1.8 -4,-0.3 -2,-0.2 -0.162 120.4 -93.5-128.8 39.2 6.2 39.8 15.7 455 206 B N T 3 5S- 0 0 164 1,-0.3 -3,-0.2 -3,-0.2 -4,-0.1 0.802 84.6 -54.3 54.7 35.6 9.2 40.2 18.0 456 207 B G T 3 - 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