==== 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 OXIDOREDUCTASE 14-NOV-08 3F9P . COMPND 2 MOLECULE: MYELOPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.CARPENA,I.FITA,C.OBINGER . 1146 4 13 12 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 645 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 6.3 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 . 4 0.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 54 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.7 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 1 4 8 5 0 2 4 0 1 2 0 2 0 0 0 0 0 2 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 18 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 10 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 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 T 0 0 152 0, 0.0 14,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 77.5 -42.8 -17.0 -44.9 2 1 A a - 0 0 41 12,-0.0 2,-0.1 19,-0.0 13,-0.1 0.503 360.0-131.6 -89.6 151.2 -43.3 -14.2 -45.2 3 2 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.394 16.3-130.3 -57.7 136.2 -46.4 -14.2 -47.5 4 3 A E S S+ 0 0 148 1,-0.2 2,-0.4 -2,-0.1 0, 0.0 0.774 93.0 24.1 -66.0 -29.2 -45.8 -11.7 -50.3 5 4 A Q S S+ 0 0 183 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.973 72.3 172.1-139.8 126.2 -49.2 -10.1 -49.8 6 5 A D - 0 0 45 -2,-0.4 3,-0.1 -3,-0.1 0, 0.0 -0.866 23.0-161.9-127.4 162.3 -51.3 -10.2 -46.5 7 6 A K S S+ 0 0 106 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.667 72.5 31.6-114.8 -28.7 -54.5 -8.5 -45.4 8 7 A Y S S- 0 0 40 1,-0.0 2,-0.2 269,-0.0 -1,-0.1 -0.781 85.0 -88.2-129.0 170.0 -54.4 -8.9 -41.6 9 8 A R - 0 0 33 -2,-0.2 2,-0.2 265,-0.2 6,-0.1 -0.487 37.6-122.1 -74.2 146.0 -52.0 -9.0 -38.6 10 9 A T - 0 0 59 4,-0.4 -1,-0.1 -2,-0.2 6,-0.0 -0.558 20.3-124.3 -77.9 155.1 -50.4 -12.3 -37.5 11 10 A I S S+ 0 0 18 1,-0.2 153,-0.2 -2,-0.2 -1,-0.1 0.909 111.5 47.5 -68.4 -43.1 -51.1 -13.2 -33.8 12 11 A T S S- 0 0 37 13,-0.1 14,-3.0 1,-0.1 -1,-0.2 0.746 113.2-118.0 -68.9 -25.0 -47.4 -13.6 -33.0 13 12 A G > + 0 0 4 1,-0.3 3,-1.1 12,-0.2 12,-0.1 0.388 62.5 151.2 97.7 0.4 -46.6 -10.3 -34.7 14 13 A M T 3 + 0 0 53 1,-0.2 -4,-0.4 2,-0.1 -1,-0.3 -0.337 57.9 21.7 -65.3 142.3 -44.4 -12.0 -37.3 15 14 A a T 3 S+ 0 0 11 6,-1.4 -1,-0.2 2,-0.3 3,-0.1 0.451 80.1 117.9 80.4 4.0 -44.0 -10.4 -40.8 16 15 A N S < S+ 0 0 5 -3,-1.1 2,-0.6 5,-0.4 491,-0.2 0.900 83.5 42.1 -63.0 -41.7 -45.1 -6.9 -39.7 17 16 A N S S- 0 0 5 6,-0.3 -2,-0.3 3,-0.2 -1,-0.2 -0.951 78.5-161.1-105.3 116.8 -41.6 -5.9 -40.8 18 17 A R S S+ 0 0 95 -2,-0.6 612,-0.2 1,-0.2 -1,-0.1 0.867 87.3 48.4 -65.6 -40.9 -40.6 -7.6 -44.1 19 18 A R S S+ 0 0 31 1,-0.3 594,-0.2 295,-0.2 -1,-0.2 0.835 130.9 19.0 -72.7 -35.0 -36.8 -7.1 -43.9 20 19 A S S > S- 0 0 3 592,-0.1 3,-1.7 3,-0.1 -1,-0.3 -0.743 73.6-175.8-135.9 87.0 -36.6 -8.4 -40.3 21 20 A P T 3 S+ 0 0 11 0, 0.0 -6,-1.4 0, 0.0 -5,-0.4 0.509 76.4 62.3 -67.7 -8.0 -39.8 -10.4 -39.5 22 21 A T T > S+ 0 0 3 594,-0.3 3,-1.3 -8,-0.2 2,-0.4 0.544 73.7 112.9 -93.1 -9.1 -39.1 -11.0 -35.8 23 22 A L T < S+ 0 0 5 -3,-1.7 -6,-0.3 1,-0.3 -7,-0.2 -0.521 91.9 4.0 -71.8 118.4 -39.1 -7.3 -34.9 24 23 A G T 3 S+ 0 0 4 -2,-0.4 141,-1.8 1,-0.3 142,-0.5 0.264 101.4 132.3 90.7 -10.3 -42.1 -6.6 -32.6 25 24 A A < - 0 0 6 -3,-1.3 3,-0.4 139,-0.2 -1,-0.3 -0.360 62.7 -95.8 -72.4 153.5 -43.0 -10.2 -32.5 26 25 A S S S+ 0 0 9 -14,-3.0 136,-0.2 149,-0.3 137,-0.1 -0.233 99.3 28.0 -69.3 157.7 -43.8 -12.0 -29.3 27 26 A N S S+ 0 0 62 134,-1.5 2,-0.3 1,-0.2 135,-0.2 0.851 91.5 121.2 57.9 42.8 -41.3 -14.1 -27.2 28 27 A R E -A 161 0A 36 133,-1.3 133,-3.1 -3,-0.4 -1,-0.2 -0.872 68.5 -85.7-126.8 162.6 -38.2 -12.2 -28.4 29 28 A A E -A 160 0A 18 700,-0.4 131,-0.2 -2,-0.3 2,-0.1 -0.331 46.6-106.6 -66.7 145.9 -35.5 -10.2 -26.6 30 29 A F - 0 0 7 129,-2.3 2,-0.3 1,-0.1 291,-0.2 -0.366 32.5-114.7 -64.8 149.7 -36.0 -6.6 -25.7 31 30 A V B -b 321 0B 19 289,-1.6 291,-2.1 -2,-0.1 2,-0.5 -0.648 28.5-136.1 -81.4 146.5 -34.1 -4.0 -27.7 32 31 A R - 0 0 58 -2,-0.3 289,-0.1 289,-0.2 4,-0.0 -0.918 21.9-174.9-108.1 130.7 -31.5 -2.0 -25.7 33 32 A W S S+ 0 0 43 -2,-0.5 -1,-0.1 1,-0.2 288,-0.0 0.655 83.3 25.9 -90.5 -21.2 -31.2 1.8 -26.0 34 33 A L S S- 0 0 32 393,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.978 96.4 -94.4-135.9 151.0 -28.1 1.7 -23.7 35 34 A P - 0 0 32 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.395 53.5-101.6 -61.0 141.0 -25.6 -1.0 -22.8 36 35 A A - 0 0 2 390,-0.1 2,-0.6 -2,-0.1 390,-0.2 -0.340 25.7-143.3 -70.3 144.0 -26.6 -3.0 -19.7 37 36 A E + 0 0 6 388,-3.1 9,-0.3 558,-0.1 2,-0.3 -0.926 30.0 164.6-112.4 108.5 -25.0 -2.3 -16.3 38 37 A Y - 0 0 0 -2,-0.6 6,-0.1 556,-0.2 385,-0.1 -0.803 46.8-116.0-120.2 162.3 -24.4 -5.4 -14.2 39 38 A E S S+ 0 0 8 5,-3.5 -1,-0.1 -2,-0.3 7,-0.1 0.922 119.5 28.7 -60.8 -49.1 -22.3 -6.2 -11.1 40 39 A D S S- 0 0 40 4,-0.5 -1,-0.2 -3,-0.0 555,-0.0 0.467 119.6-105.9 -92.6 -5.2 -20.1 -8.7 -12.9 41 40 A G S S+ 0 0 0 3,-0.4 556,-0.4 553,-0.1 -3,-0.1 0.001 104.9 31.4 107.1 -26.7 -20.5 -7.0 -16.3 42 41 A F S S+ 0 0 43 114,-0.1 115,-3.2 -5,-0.1 -6,-0.0 0.618 127.3 5.4-133.7 -26.8 -22.9 -9.4 -17.9 43 42 A S S S+ 0 0 29 113,-0.2 -6,-0.0 1,-0.1 382,-0.0 0.707 92.0 85.6-133.9 -53.1 -25.2 -11.2 -15.5 44 43 A L - 0 0 46 -6,-0.1 -5,-3.5 1,-0.1 -4,-0.5 -0.470 66.0-132.1 -74.4 128.5 -25.4 -10.3 -11.8 45 44 A P > - 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.330 32.9 -90.5 -72.2 157.7 -27.6 -7.3 -10.7 46 45 A Y T 3 S+ 0 0 15 376,-0.3 376,-0.1 -9,-0.3 379,-0.1 -0.549 115.4 34.9 -71.3 130.7 -26.4 -4.5 -8.5 47 46 A G T 3 S+ 0 0 28 -2,-0.3 -1,-0.2 2,-0.3 6,-0.0 0.413 88.1 106.6 100.3 3.5 -27.1 -5.3 -4.8 48 47 A W S < S+ 0 0 33 -3,-1.3 -2,-0.1 1,-0.2 69,-0.1 0.946 75.9 45.3 -76.3 -53.6 -26.4 -9.0 -5.4 49 48 A T S > S- 0 0 58 -4,-0.3 3,-1.1 3,-0.1 -2,-0.3 -0.836 92.5-120.6 -96.3 125.3 -23.0 -9.2 -3.7 50 49 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.400 93.7 18.5 -63.7 135.9 -22.7 -7.4 -0.2 51 50 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 8,-0.1 -2,-0.0 0.099 87.3 127.5 93.7 -21.4 -20.1 -4.7 -0.1 52 51 A V < - 0 0 37 -3,-1.1 7,-0.4 6,-0.0 -1,-0.2 -0.600 50.7-145.2 -76.1 114.9 -19.8 -4.2 -3.8 53 52 A K - 0 0 98 -2,-0.6 2,-0.6 5,-0.1 3,-0.2 -0.518 5.3-132.6 -83.1 145.2 -20.3 -0.5 -4.7 54 53 A R B > S-C 57 0C 7 3,-2.3 3,-1.7 1,-0.2 415,-0.1 -0.888 86.9 -20.4 -95.4 120.2 -22.0 0.9 -7.8 55 54 A N T 3 S- 0 0 73 -2,-0.6 -1,-0.2 1,-0.3 413,-0.1 0.810 131.0 -47.5 50.1 38.1 -19.9 3.7 -9.4 56 55 A G T 3 S+ 0 0 48 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.522 122.9 91.8 86.7 7.5 -18.0 4.3 -6.1 57 56 A F B < S-C 54 0C 89 -3,-1.7 -3,-2.3 409,-0.0 -1,-0.2 -0.996 81.4-100.2-136.6 140.2 -21.0 4.4 -3.8 58 57 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.250 42.1-110.4 -57.8 140.4 -22.9 1.7 -1.8 59 58 A V - 0 0 33 -7,-0.4 2,-0.2 1,-0.1 -8,-0.1 -0.605 30.8-133.8 -77.3 125.5 -26.1 0.3 -3.3 60 59 A A - 0 0 14 -2,-0.4 2,-0.2 1,-0.1 403,-0.1 -0.552 23.3-106.2 -80.2 142.9 -29.2 1.3 -1.5 61 60 A L > - 0 0 63 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.510 22.0-133.8 -68.6 131.9 -31.9 -1.2 -0.6 62 61 A A H > S+ 0 0 3 1,-0.2 4,-1.5 -2,-0.2 -1,-0.1 0.831 108.0 49.7 -57.2 -36.6 -35.0 -0.8 -2.9 63 62 A R H > S+ 0 0 0 62,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.867 108.4 53.3 -68.2 -39.0 -37.2 -1.1 0.2 64 63 A A H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.877 108.9 48.2 -64.5 -40.7 -35.2 1.5 2.1 65 64 A V H X>S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.9 0.871 111.0 52.2 -65.3 -39.0 -35.5 4.0 -0.8 66 65 A S H <>S+ 0 0 0 -4,-1.5 5,-1.6 -5,-0.2 -2,-0.2 0.833 109.7 50.1 -64.4 -35.1 -39.3 3.3 -0.9 67 66 A N H <5S+ 0 0 16 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.870 117.4 36.3 -71.3 -39.3 -39.5 4.0 2.9 68 67 A E H <5S+ 0 0 107 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.721 133.6 17.3 -91.0 -24.5 -37.7 7.4 2.8 69 68 A I T <5S+ 0 0 8 -4,-1.9 324,-0.4 -5,-0.2 -3,-0.2 0.768 125.9 41.6-117.1 -46.2 -38.9 8.9 -0.5 70 69 A V T - 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0 0 4 -5,-3.0 -1,-0.2 -390,-0.2 46,-0.1 -0.552 32.6-113.8 -76.5 135.9 -30.7 -0.8 -16.6 427 431 C P - 0 0 2 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 -0.110 39.5 -92.4 -59.3 165.1 -28.3 2.2 -16.2 428 432 C G > - 0 0 1 40,-0.3 4,-1.3 43,-0.1 41,-0.2 0.040 43.4 -83.1 -75.7-175.2 -28.9 4.9 -13.6 429 433 C Y H >> S+ 0 0 1 41,-1.7 4,-1.7 1,-0.2 3,-0.6 0.920 123.5 47.8 -55.7 -55.8 -30.7 8.3 -13.8 430 434 C N H 3> S+ 0 0 0 37,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.803 106.6 57.5 -60.7 -34.8 -27.9 10.4 -15.2 431 435 C A H 3> S+ 0 0 7 37,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.844 110.9 43.5 -64.8 -35.1 -27.1 7.9 -18.0 432 436 C W H S+ 0 0 12 -4,-1.7 5,-3.4 2,-0.2 4,-0.7 0.910 109.9 46.2 -65.3 -44.3 -30.7 11.9 -18.8 434 438 C R H ><5S+ 0 0 64 -4,-2.4 3,-0.6 3,-0.2 -2,-0.2 0.875 108.6 56.4 -64.9 -40.2 -27.7 12.0 -21.2 435 439 C F H 3<5S+ 0 0 70 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.3 44.8 -55.4 -43.2 -29.4 9.6 -23.5 436 440 C f H 3<5S- 0 0 23 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.575 119.0-109.1 -80.7 -11.3 -32.4 12.0 -23.8 437 441 C G T <<5S+ 0 0 68 -4,-0.7 -3,-0.2 -3,-0.6 -2,-0.1 0.732 74.3 138.3 84.1 25.8 -30.1 15.0 -24.2 438 442 C L < - 0 0 35 -5,-3.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.803 61.6 -93.3-103.4 145.5 -31.0 16.3 -20.8 439 443 C P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.231 33.4-137.6 -57.3 142.4 -28.5 17.9 -18.3 440 444 C Q - 0 0 58 -7,-0.1 2,-0.1 -6,-0.0 7,-0.1 -0.896 14.6-140.1-109.2 105.2 -26.9 15.5 -15.8 441 445 C P - 0 0 6 0, 0.0 -11,-0.1 0, 0.0 3,-0.0 -0.371 18.1-176.4 -64.1 137.8 -26.6 16.9 -12.2 442 446 C E + 0 0 114 24,-0.1 26,-0.2 -2,-0.1 2,-0.1 0.822 63.9 41.1 -99.8 -46.6 -23.4 16.1 -10.3 443 447 C T S > S- 0 0 76 23,-0.1 4,-1.8 24,-0.1 5,-0.1 -0.451 86.9-106.2-102.3 172.6 -24.0 17.6 -6.9 444 448 C V H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.861 119.6 53.2 -65.2 -37.7 -27.0 17.8 -4.5 445 449 C G H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 109.3 47.9 -64.3 -42.1 -27.6 21.5 -5.4 446 450 C Q H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 110.8 51.1 -68.1 -36.8 -27.7 20.8 -9.1 447 451 C L H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 6,-0.3 0.848 107.2 55.2 -66.6 -36.0 -30.1 17.9 -8.5 448 452 C G H X>S+ 0 0 6 -4,-1.9 5,-1.2 2,-0.2 4,-1.2 0.861 107.0 49.3 -62.5 -39.2 -32.2 20.4 -6.5 449 453 C T H <5S+ 0 0 115 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.879 111.2 49.4 -67.8 -40.3 -32.4 22.8 -9.5 450 454 C V H <5S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.851 120.9 35.7 -66.1 -35.7 -33.4 19.9 -11.8 451 455 C L H <5S- 0 0 2 -4,-1.9 -2,-0.2 28,-0.1 -1,-0.2 0.571 97.6-132.3 -94.4 -11.2 -36.1 18.8 -9.4 452 456 C R T <5S+ 0 0 195 -4,-1.2 2,-0.3 -5,-0.1 -3,-0.2 0.749 85.0 94.1 57.3 26.9 -37.2 22.2 -8.1 453 457 C N >< + 0 0 37 -5,-1.2 4,-1.7 -6,-0.3 -2,-0.1 -0.790 47.4 176.9-153.7 97.6 -36.9 20.5 -4.8 454 458 C L H > S+ 0 0 77 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.812 86.8 58.6 -72.1 -31.8 -33.8 20.6 -2.6 455 459 C K H > S+ 0 0 147 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 110.0 42.4 -62.6 -44.3 -35.5 18.6 0.1 456 460 C L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.853 111.2 56.3 -69.8 -37.8 -36.1 15.7 -2.2 457 461 C A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.854 106.3 50.9 -62.3 -37.7 -32.7 16.0 -3.7 458 462 C R H X S+ 0 0 143 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 109.8 48.5 -63.0 -50.9 -31.2 15.6 -0.2 459 463 C K H X S+ 0 0 77 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.853 112.6 49.0 -58.4 -39.8 -33.2 12.4 0.5 460 464 C L H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 5,-0.4 0.862 111.7 48.9 -67.2 -38.8 -32.2 11.0 -2.9 461 465 C M H X S+ 0 0 37 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.789 106.2 57.5 -70.8 -30.3 -28.5 11.8 -2.2 462 466 C E H < S+ 0 0 161 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.883 116.6 35.0 -63.7 -40.5 -28.8 10.2 1.2 463 467 C Q H < S+ 0 0 43 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.944 131.4 25.0 -78.7 -52.9 -29.9 6.9 -0.4 464 468 C Y H < S- 0 0 7 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.1 0.767 78.7-146.4 -92.8 -29.8 -27.9 6.9 -3.7 465 469 C G S < S+ 0 0 26 -4,-1.1 -4,-0.1 -5,-0.4 -1,-0.1 0.035 80.8 37.9 84.2 -28.1 -24.8 9.0 -3.0 466 470 C T S > S- 0 0 15 -6,-0.2 3,-1.6 -409,-0.0 4,-0.5 -0.986 78.4-125.1-151.8 143.9 -24.8 10.2 -6.6 467 471 C P T 3 S+ 0 0 0 0, 0.0 -37,-1.3 0, 0.0 -38,-0.2 0.597 109.3 70.8 -64.2 -9.4 -27.4 11.1 -9.3 468 472 C N T 3 S+ 0 0 41 -39,-0.2 -37,-0.3 1,-0.2 -40,-0.3 0.761 98.2 47.4 -71.6 -28.0 -25.6 8.4 -11.4 469 473 C N S < S+ 0 0 6 -3,-1.6 -1,-0.2 -41,-0.2 2,-0.1 0.522 78.5 120.3 -96.0 -9.0 -27.0 5.7 -9.2 470 474 C I S S- 0 0 2 -4,-0.5 -41,-1.7 -3,-0.2 -40,-0.0 -0.392 71.2-111.4 -62.6 126.7 -30.7 6.7 -8.9 471 475 C D > - 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0 0 35 -5,-3.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.837 63.8 -91.1-106.8 145.0 -27.0 9.2 -47.5 1014 443 D P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.174 33.6-137.7 -55.5 143.8 -29.6 8.9 -50.3 1015 444 D Q - 0 0 58 -7,-0.1 7,-0.1 -6,-0.1 28,-0.1 -0.894 16.3-141.3-110.2 103.4 -30.9 5.5 -51.2 1016 445 D P - 0 0 4 0, 0.0 -11,-0.1 0, 0.0 3,-0.0 -0.332 19.9-179.2 -64.6 141.1 -31.2 4.9 -55.0 1017 446 D E + 0 0 110 24,-0.1 26,-0.2 25,-0.1 2,-0.1 0.782 63.0 47.9-104.2 -46.3 -34.2 2.9 -56.2 1018 447 D T S > S- 0 0 78 23,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.404 85.5-110.8 -96.9 169.8 -33.6 2.7 -60.0 1019 448 D V H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.849 118.9 52.7 -65.5 -36.7 -30.6 1.9 -62.2 1020 449 D G H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.876 109.5 47.7 -67.5 -40.7 -30.3 5.5 -63.3 1021 450 D Q H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 111.2 50.7 -65.9 -42.1 -30.3 6.8 -59.7 1022 451 D L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 6,-0.2 0.857 108.6 53.9 -62.6 -36.8 -27.7 4.1 -58.8 1023 452 D G H X>S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 5,-1.4 0.884 108.2 48.7 -62.4 -41.9 -25.7 5.4 -61.8 1024 453 D T H <5S+ 0 0 112 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.894 112.6 48.0 -65.3 -42.2 -25.8 8.9 -60.5 1025 454 D V H <5S+ 0 0 38 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.890 121.0 35.8 -66.3 -41.4 -24.7 7.8 -57.0 1026 455 D L H <5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.614 98.9-133.9 -86.3 -13.9 -21.8 5.7 -58.3 1027 456 D R T <5S+ 0 0 189 -4,-1.4 -3,-0.2 -5,-0.2 2,-0.2 0.839 82.5 94.0 55.8 37.5 -21.0 8.1 -61.2 1028 457 D N >< - 0 0 42 -5,-1.4 4,-2.0 -6,-0.2 3,-0.1 -0.682 49.3-179.0-161.3 93.2 -20.8 5.0 -63.3 1029 458 D L H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.792 87.0 58.0 -68.5 -29.6 -23.9 3.9 -65.3 1030 459 D K H > S+ 0 0 144 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.872 109.2 44.2 -67.4 -39.3 -22.1 0.8 -66.6 1031 460 D L H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 110.0 55.4 -71.4 -41.4 -21.3 -0.4 -63.1 1032 461 D A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.896 107.4 50.1 -57.5 -43.0 -24.9 0.3 -61.9 1033 462 D R H X S+ 0 0 152 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.870 109.8 50.7 -63.5 -39.4 -26.2 -1.9 -64.7 1034 463 D K H X S+ 0 0 73 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.893 113.1 45.7 -63.9 -42.4 -23.8 -4.7 -63.7 1035 464 D L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.849 112.5 50.5 -69.0 -37.2 -25.0 -4.5 -60.1 1036 465 D M H X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.826 105.7 56.5 -70.6 -33.7 -28.7 -4.3 -61.1 1037 466 D E H < S+ 0 0 155 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.864 116.9 36.0 -63.2 -37.8 -28.3 -7.4 -63.3 1038 467 D Q H < S+ 0 0 37 -4,-1.2 -2,-0.2 -5,-0.1 -3,-0.1 0.945 131.8 24.2 -79.7 -53.2 -26.9 -9.3 -60.2 1039 468 D Y H < S- 0 0 7 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.741 80.7-145.6 -92.7 -27.2 -29.0 -8.0 -57.4 1040 469 D G S < S+ 0 0 22 -4,-1.5 -4,-0.1 -5,-0.4 -1,-0.1 -0.041 80.8 38.7 84.1 -33.0 -32.2 -6.7 -59.0 1041 470 D T S > S- 0 0 10 -6,-0.2 3,-1.2 -2,-0.1 4,-0.3 -0.994 77.3-127.1-146.3 145.0 -32.4 -3.8 -56.5 1042 471 D P T 3 S+ 0 0 0 0, 0.0 -37,-1.2 0, 0.0 3,-0.3 0.608 108.1 72.3 -64.6 -10.9 -29.8 -1.5 -54.8 1043 472 D N T 3 S+ 0 0 37 -39,-0.2 -37,-0.4 1,-0.2 -40,-0.3 0.821 98.2 44.9 -67.1 -34.0 -31.6 -2.7 -51.6 1044 473 D N S < S+ 0 0 9 -3,-1.2 2,-0.2 -41,-0.2 -1,-0.2 0.388 78.9 122.7 -99.0 1.2 -30.0 -6.2 -51.9 1045 474 D I S S- 0 0 1 -3,-0.3 -41,-1.8 -4,-0.3 -40,-0.1 -0.480 70.5-110.7 -65.4 128.5 -26.4 -5.2 -52.7 1046 475 D D > - 0 0 4 -2,-0.2 4,-2.7 -43,-0.2 5,-0.4 -0.342 25.1-118.2 -60.1 140.4 -24.0 -6.7 -50.1 1047 476 D I H > S+ 0 0 1 -45,-0.4 4,-1.9 1,-0.2 5,-0.2 0.852 112.7 46.3 -52.4 -45.3 -22.4 -4.1 -47.9 1048 477 D W H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 114.3 48.8 -62.5 -45.3 -18.8 -4.8 -49.0 1049 478 D M H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.939 116.8 39.4 -62.3 -51.8 -19.8 -4.9 -52.7 1050 479 D G H X S+ 0 0 1 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.779 115.3 55.5 -70.0 -29.0 -21.7 -1.6 -52.7 1051 480 D G H >< S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.4 12,-0.5 0.951 111.2 40.1 -67.1 -53.0 -19.2 0.0 -50.3 1052 481 D V H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.653 108.4 65.1 -72.5 -16.9 -16.1 -0.6 -52.5 1053 482 D S H 3< S+ 0 0 0 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.737 81.2 98.8 -76.7 -25.5 -18.1 0.3 -55.7 1054 483 D E S << S- 0 0 4 -3,-0.8 9,-0.2 -4,-0.7 -28,-0.1 -0.331 87.3 -98.9 -65.9 143.0 -18.6 3.9 -54.6 1055 484 D P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.375 47.7-101.6 -62.9 140.6 -16.3 6.6 -56.1 1056 485 D L - 0 0 43 -93,-0.2 7,-0.3 7,-0.1 3,-0.1 -0.380 33.5-113.5 -71.4 137.5 -13.5 7.6 -53.7 1057 486 D K > - 0 0 58 5,-2.3 3,-2.6 1,-0.2 5,-0.1 -0.380 52.6 -74.1 -67.6 147.8 -13.8 10.8 -51.6 1058 487 D R T 3 S- 0 0 158 1,-0.3 -183,-0.3 -185,-0.1 -1,-0.2 -0.182 117.7 -4.5 -50.4 121.2 -11.3 13.5 -52.5 1059 488 D K T 3 S+ 0 0 120 1,-0.3 -186,-0.3 -186,-0.2 -1,-0.3 0.706 120.8 96.5 62.5 24.8 -7.8 12.5 -51.2 1060 489 D G S < S- 0 0 0 -3,-2.6 -1,-0.3 -188,-0.2 -188,-0.2 -0.781 72.0-134.4-129.7 176.2 -9.3 9.4 -49.5 1061 490 D R S S+ 0 0 16 -190,-2.4 2,-0.3 -2,-0.2 -189,-0.1 0.180 79.6 64.5-122.5 16.1 -9.6 5.8 -50.5 1062 491 D V S S- 0 0 2 -191,-0.7 -5,-2.3 -5,-0.1 -10,-0.1 -0.972 75.9-117.3-135.1 153.3 -13.2 5.1 -49.6 1063 492 D G > - 0 0 1 -12,-0.5 4,-2.4 -2,-0.3 5,-0.2 -0.217 47.1 -85.5 -75.6 174.4 -16.6 6.3 -50.8 1064 493 D P H > S+ 0 0 42 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.818 125.8 50.3 -50.0 -39.8 -19.2 8.2 -48.7 1065 494 D L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.946 113.0 41.5 -69.1 -52.8 -20.7 5.0 -47.2 1066 495 D L H > S+ 0 0 2 -15,-0.3 4,-2.9 1,-0.2 5,-0.4 0.851 112.3 56.6 -65.0 -36.0 -17.5 3.2 -46.1 1067 496 D A H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.861 107.8 49.9 -60.7 -37.6 -16.1 6.5 -44.8 1068 497 D l H X S+ 0 0 4 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.942 115.9 39.5 -65.8 -50.9 -19.3 6.8 -42.6 1069 498 D I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.950 121.6 42.0 -66.4 -51.8 -19.0 3.3 -41.1 1070 499 D I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -3,-0.2 0.902 117.2 49.6 -61.7 -42.7 -15.2 3.3 -40.7 1071 500 D G H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.4 -2,-0.2 0.906 110.8 47.8 -62.9 -45.9 -15.3 6.9 -39.4 1072 501 D T H X S+ 0 0 36 -4,-2.5 4,-1.5 1,-0.2 3,-0.2 0.904 111.4 51.8 -62.6 -43.4 -18.1 6.2 -36.9 1073 502 D Q H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.2 0.926 108.0 49.4 -59.9 -50.1 -16.3 3.1 -35.5 1074 503 D F H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.724 107.5 54.8 -68.3 -23.2 -12.9 4.7 -35.0 1075 504 D R H X S+ 0 0 86 -4,-1.2 4,-3.0 -3,-0.2 5,-0.4 0.867 107.7 50.0 -74.0 -37.1 -14.5 7.7 -33.0 1076 505 D K H X S+ 0 0 55 -4,-1.5 4,-1.2 -3,-0.2 -2,-0.2 0.820 109.9 51.2 -67.4 -32.8 -16.2 5.2 -30.7 1077 506 D L H < S+ 0 0 0 -4,-1.6 -335,-0.4 2,-0.1 -1,-0.2 0.677 116.6 42.1 -75.3 -19.9 -12.8 3.4 -30.2 1078 507 D R H >< S+ 0 0 14 -4,-0.6 3,-0.8 -3,-0.2 -2,-0.2 0.901 121.7 34.0 -91.1 -53.3 -11.2 6.8 -29.4 1079 508 D D H 3< S+ 0 0 16 -4,-3.0 -191,-3.0 1,-0.2 -188,-0.2 0.715 117.8 53.9 -79.4 -23.0 -13.8 8.5 -27.2 1080 509 D G T 3< S+ 0 0 0 -4,-1.2 2,-0.6 -5,-0.4 -1,-0.2 0.217 88.5 97.0 -95.3 13.1 -14.9 5.3 -25.5 1081 510 D D X - 0 0 0 -3,-0.8 3,-1.0 1,-0.1 6,-0.1 -0.923 52.3-169.1-109.1 116.5 -11.4 4.3 -24.5 1082 511 D R T 3 S+ 0 0 28 -2,-0.6 -1,-0.1 1,-0.2 -195,-0.1 0.800 90.7 52.2 -70.4 -30.9 -10.3 5.2 -20.9 1083 512 D F T 3 S+ 0 0 19 7,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.062 75.5 143.2 -97.0 23.7 -6.7 4.4 -21.7 1084 513 D W X - 0 0 2 -3,-1.0 3,-1.7 -6,-0.2 6,-0.2 -0.461 59.9-122.2 -62.6 134.6 -6.5 6.6 -24.8 1085 514 D W T 3 S+ 0 0 27 1,-0.3 6,-0.3 -2,-0.1 -1,-0.1 0.700 109.4 48.0 -59.8 -24.9 -3.1 8.2 -24.9 1086 515 D E T 3 S+ 0 0 80 4,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.618 86.2 112.2 -89.0 -15.5 -4.4 11.8 -24.8 1087 516 D N S X> S- 0 0 19 -3,-1.7 3,-1.9 1,-0.1 4,-0.7 -0.350 80.8-101.4 -64.9 136.9 -6.8 11.2 -21.9 1088 517 D E B 34 S+e 1091 0e 163 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.405 107.2 24.7 -65.0 119.7 -5.9 13.0 -18.7 1089 518 D G T 34 S+ 0 0 64 2,-0.7 -1,-0.2 -2,-0.3 3,-0.1 0.109 101.2 84.7 113.3 -19.2 -4.3 10.6 -16.2 1090 519 D V T <4 S+ 0 0 14 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.948 104.2 4.8 -77.8 -54.0 -2.9 8.1 -18.8 1091 520 D F B < S-e 1088 0e 13 -4,-0.7 -2,-0.7 -6,-0.3 -1,-0.2 -0.869 79.8-109.1-124.5 162.4 0.3 9.9 -19.5 1092 521 D S > - 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