==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-00 1DXL . COMPND 2 MOLECULE: DIHYDROLIPOAMIDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR M.FAURE,C.COHEN-ADDAD,J.BOURGUIGNON,D.MACHEREL,M.NEUBURGER, . 1868 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1293 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 235 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 5 0.3 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 . 153 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.3 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 4 7 10 0 0 0 0 4 2 14 0 3 1 0 0 4 0 0 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 7 9 16 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 . 15 4 14 3 4 8 4 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 . 7 6 1 7 5 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 4 A S 0 0 163 0, 0.0 2,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.9 -20.6 46.5 27.7 2 5 A D - 0 0 142 2,-0.0 2,-0.5 3,-0.0 3,-0.0 -0.517 360.0-174.5 -85.8 69.4 -17.1 45.1 27.3 3 6 A E - 0 0 103 -2,-1.8 25,-0.3 1,-0.1 2,-0.2 -0.554 29.3-112.8 -71.7 117.8 -15.5 48.6 27.9 4 7 A N - 0 0 41 -2,-0.5 134,-0.8 1,-0.1 25,-0.1 -0.297 31.2-171.9 -59.0 119.5 -11.7 48.5 27.3 5 8 A D + 0 0 35 23,-0.4 134,-1.1 132,-0.2 2,-0.3 0.669 57.9 21.9 -88.4 -24.0 -9.8 49.0 30.6 6 9 A V E -ab 29 139A 1 22,-1.9 24,-2.4 132,-0.1 2,-0.4 -0.936 49.0-172.2-155.6 135.2 -6.1 49.4 29.7 7 10 A V E -ab 30 140A 0 132,-2.2 134,-3.0 -2,-0.3 2,-0.5 -0.985 6.2-167.7-128.4 137.2 -3.9 50.3 26.8 8 11 A I E -ab 31 141A 0 22,-2.8 24,-1.8 -2,-0.4 2,-1.1 -0.978 11.6-153.6-122.9 114.1 -0.2 50.0 26.7 9 12 A I E S+ab 32 142A 13 132,-1.5 134,-2.4 -2,-0.5 24,-0.2 -0.797 70.7 60.8 -90.8 102.5 1.8 51.6 23.9 10 13 A G - 0 0 7 22,-1.9 23,-0.2 -2,-1.1 134,-0.1 -0.221 59.1-152.2 146.3 123.5 4.9 49.3 23.9 11 14 A G + 0 0 0 4,-0.2 22,-0.1 28,-0.1 133,-0.1 0.143 65.3 87.5-107.2 27.7 5.5 45.6 23.3 12 15 A G S >>S- 0 0 10 131,-0.4 4,-3.0 28,-0.1 5,-0.5 -0.115 99.0 -55.3-105.4-159.4 8.6 45.0 25.3 13 16 A P H >5S+ 0 0 17 0, 0.0 4,-0.9 0, 0.0 5,-0.5 0.904 137.0 43.7 -47.8 -50.7 9.4 44.0 28.9 14 17 A G H >5S+ 0 0 6 3,-0.2 4,-1.7 2,-0.1 5,-0.2 0.943 123.7 38.9 -62.0 -41.5 7.5 46.8 30.4 15 18 A G H >5S+ 0 0 1 128,-0.3 4,-4.6 2,-0.2 5,-0.2 0.982 113.3 44.2 -73.8 -61.2 4.7 46.3 28.0 16 19 A Y H X5S+ 0 0 14 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.642 120.3 44.6 -65.1 -11.6 4.0 42.7 27.5 17 20 A V H XX>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.5 3,-1.1 0.951 106.8 47.8 -66.2 -49.9 -3.1 43.4 33.6 23 26 A A H ><5S+ 0 0 19 -4,-2.4 3,-1.8 1,-0.3 -2,-0.2 0.947 109.7 54.3 -58.2 -43.1 -5.1 40.7 31.9 24 27 A Q H 3<5S+ 0 0 41 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.748 103.6 56.2 -63.5 -22.1 -4.5 38.5 34.9 25 28 A L H <<5S- 0 0 46 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.627 127.2 -97.8 -85.2 -9.1 -5.8 41.2 37.2 26 29 A G T <<5S+ 0 0 64 -3,-1.8 2,-0.4 -4,-0.8 -3,-0.2 0.685 76.5 135.8 103.2 26.5 -9.1 41.2 35.2 27 30 A F < - 0 0 37 -5,-1.6 2,-0.5 -23,-0.0 -1,-0.3 -0.868 60.2-120.8-107.0 134.6 -8.6 44.2 32.8 28 31 A K - 0 0 78 -2,-0.4 -22,-1.9 -25,-0.3 -23,-0.4 -0.609 49.6-170.2 -67.5 121.6 -9.5 44.3 29.2 29 32 A T E -a 6 0A 2 -2,-0.5 80,-2.6 78,-0.5 2,-0.4 -0.916 25.9-171.0-123.7 149.7 -6.0 45.1 27.9 30 33 A T E -ac 7 109A 5 -24,-2.4 -22,-2.8 -2,-0.4 2,-0.3 -0.966 4.4-167.2-136.3 115.5 -4.5 46.1 24.6 31 34 A C E -ac 8 110A 0 78,-1.0 80,-1.6 -2,-0.4 2,-0.4 -0.766 14.0-159.4 -94.4 151.4 -0.8 46.3 24.0 32 35 A I E +ac 9 111A 2 -24,-1.8 -22,-1.9 -2,-0.3 2,-0.3 -0.990 12.6 176.7-135.0 126.6 0.1 48.1 20.8 33 36 A E E - c 0 112A 24 78,-1.2 80,-1.1 -2,-0.4 81,-0.2 -0.972 24.9-166.2-139.6 132.8 3.4 47.7 19.0 34 37 A K + 0 0 112 -2,-0.3 80,-0.1 78,-0.2 -1,-0.1 0.759 66.8 92.6 -78.6 -31.2 4.9 49.1 15.7 35 38 A R S S- 0 0 83 78,-0.2 78,-0.2 4,-0.1 -2,-0.1 -0.112 89.4-108.8 -56.8 168.2 7.9 46.8 15.5 36 39 A G S S+ 0 0 57 76,-0.1 2,-0.1 2,-0.0 -3,-0.1 0.996 96.4 26.9 -60.1 -74.7 7.4 43.6 13.5 37 40 A A S S- 0 0 30 3,-0.1 -26,-0.1 1,-0.1 7,-0.1 -0.356 84.1-112.9 -85.2 167.7 7.4 41.0 16.3 38 41 A L S S+ 0 0 0 -2,-0.1 -22,-0.2 58,-0.1 5,-0.1 0.345 76.4 109.7 -82.6 3.0 6.4 41.4 19.9 39 42 A G - 0 0 0 1,-0.1 -28,-0.1 4,-0.1 -4,-0.1 -0.325 68.3-128.1 -68.0 173.7 9.7 40.9 21.7 40 43 A G - 0 0 7 -30,-0.1 4,-0.4 -28,-0.0 -1,-0.1 0.463 47.9 -70.8 -88.7-119.6 10.9 44.2 23.1 41 44 A T S > S+ 0 0 41 3,-0.1 4,-1.9 2,-0.1 5,-0.2 0.600 137.1 60.2-100.7 -28.8 14.4 45.4 22.4 42 45 A a H > S+ 0 0 11 4,-0.2 4,-0.7 1,-0.2 6,-0.7 0.916 108.7 40.1 -63.2 -45.5 15.6 42.6 24.6 43 46 A L H 4 S+ 0 0 9 5,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.866 127.2 28.3 -77.0 -37.1 14.1 39.9 22.5 44 47 A N H 4 S+ 0 0 36 -4,-0.4 -2,-0.2 1,-0.1 -3,-0.1 0.810 135.2 12.1 -97.4 -29.4 14.8 41.2 19.1 45 48 A V H < S+ 0 0 26 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.1 0.082 122.2 17.3-138.0 25.8 18.0 43.3 19.3 46 49 A G S X S+ 0 0 17 -4,-0.7 4,-3.2 -5,-0.2 5,-0.3 0.035 106.5 26.8-151.6-102.2 19.8 42.8 22.6 47 50 A a H > S+ 0 0 26 3,-0.2 4,-5.2 2,-0.2 5,-0.3 0.943 125.1 35.2 -40.8 -92.0 19.8 40.3 25.6 48 51 A I H > S+ 0 0 2 -6,-0.7 4,-4.3 2,-0.3 5,-0.2 0.853 124.9 40.3 -32.3 -68.9 18.6 37.2 23.8 49 52 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.968 122.4 45.4 -48.9 -56.9 20.4 37.8 20.5 50 53 A S H X S+ 0 0 6 -4,-3.2 4,-2.4 -8,-0.2 -2,-0.3 0.916 114.2 46.7 -54.5 -46.4 23.4 39.1 22.4 51 54 A K H X S+ 0 0 10 -4,-5.2 4,-1.8 -5,-0.3 -1,-0.2 0.959 110.4 53.8 -66.1 -44.2 23.3 36.3 24.9 52 55 A A H >X S+ 0 0 1 -4,-4.3 4,-1.8 -5,-0.3 3,-0.7 0.942 111.7 42.8 -51.5 -56.3 23.0 33.8 22.2 53 56 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.8 1,-0.3 5,-0.3 0.880 108.9 60.6 -55.4 -46.1 26.1 35.0 20.2 54 57 A L H 3X S+ 0 0 9 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.841 109.2 42.0 -50.0 -41.0 28.0 35.4 23.5 55 58 A H H S+ 0 0 37 -4,-3.6 4,-1.6 1,-0.3 5,-1.5 0.900 109.7 53.7 -63.3 -32.1 36.6 26.9 24.5 63 66 A A H <5S+ 0 0 3 -4,-2.8 -1,-0.3 -5,-0.4 -2,-0.2 0.858 109.5 45.7 -71.4 -29.4 36.9 24.5 21.8 64 67 A K H <5S+ 0 0 135 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.814 131.2 19.2 -82.4 -23.8 40.1 26.1 20.3 65 68 A H H <5S+ 0 0 108 -4,-2.1 4,-0.4 -5,-0.2 -3,-0.2 0.829 124.8 34.1-112.3 -45.0 41.7 26.4 23.8 66 69 A S T X5S+ 0 0 32 -4,-1.6 4,-0.7 -5,-0.4 3,-0.5 0.927 91.9 79.1 -83.8 -51.0 40.4 24.2 26.7 67 70 A F H >>XS+ 0 0 9 -5,-1.5 5,-2.2 1,-0.2 3,-0.7 0.702 88.3 65.7 -28.3 -37.1 39.2 20.9 25.1 68 71 A A H >45S+ 0 0 70 1,-0.2 3,-3.2 2,-0.2 4,-0.3 0.983 95.3 51.5 -51.3 -76.0 42.9 19.8 25.1 69 72 A N H 345S+ 0 0 68 -3,-0.5 486,-0.3 -4,-0.4 -1,-0.2 0.583 111.5 52.4 -40.4 -16.8 43.4 19.7 28.8 70 73 A H H <<5S- 0 0 5 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.529 116.8-101.0-105.4 -6.7 40.3 17.5 29.1 71 74 A G T <<5S+ 0 0 1 -3,-3.2 477,-1.8 -4,-0.6 2,-1.0 0.585 84.6 123.3 100.0 6.4 40.9 14.6 26.7 72 75 A V E < -F 547 0B 1 -5,-2.2 2,-0.6 -4,-0.3 -1,-0.2 -0.867 41.3-176.3-105.7 92.4 38.7 16.1 24.0 73 76 A K E -F 546 0B 122 473,-2.1 473,-1.3 -2,-1.0 2,-0.3 -0.848 1.7-172.6 -96.1 115.6 41.1 16.3 21.2 74 77 A V E -F 545 0B 29 -2,-0.6 471,-0.2 471,-0.2 3,-0.1 -0.708 18.7-146.2-104.3 160.1 39.7 17.8 18.0 75 78 A S S S+ 0 0 55 469,-1.5 2,-0.3 1,-0.4 -1,-0.1 0.928 77.5 1.4 -90.0 -55.6 41.5 18.0 14.6 76 79 A N - 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0 0 57 -5,-1.0 2,-0.2 -4,-0.0 -1,-0.2 -0.832 58.1-105.7 -97.6 133.0 -4.2 82.7 87.2 1310 377 C E + 0 0 147 -2,-0.5 30,-3.5 -3,-0.1 31,-0.6 -0.358 55.1 169.4 -57.6 117.6 -6.2 80.3 89.3 1311 378 C Y E -K 1339 0a 58 28,-0.3 28,-0.3 -2,-0.2 2,-0.2 -0.928 26.9-145.5-133.7 160.8 -4.3 77.1 89.2 1312 379 C R E -K 1338 0a 109 26,-3.0 26,-1.9 -2,-0.3 2,-0.4 -0.648 14.1-140.7-113.2 170.2 -4.2 73.6 90.9 1313 380 C V E -K 1337 0a 49 -2,-0.2 2,-0.4 24,-0.2 24,-0.2 -0.980 10.8-169.4-140.6 130.7 -1.3 71.3 91.7 1314 381 C G E +K 1336 0a 1 22,-2.6 22,-2.2 -2,-0.4 2,-0.3 -0.865 10.5 174.0-115.9 147.3 -0.9 67.6 91.5 1315 382 C K E +K 1335 0a 88 -2,-0.4 20,-0.2 20,-0.2 -2,-0.0 -0.991 10.7 178.9-152.1 145.8 1.9 65.6 93.0 1316 383 C F E -K 1334 0a 3 18,-1.9 18,-2.8 -2,-0.3 2,-0.3 -0.984 20.3-138.3-146.6 141.5 2.8 62.0 93.4 1317 384 C P E > -K 1333 0a 44 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.774 17.2-126.9-103.4 152.2 5.9 60.5 94.9 1318 385 C F G > S+ 0 0 0 14,-1.5 3,-0.9 -2,-0.3 7,-0.3 0.679 102.0 76.7 -69.0 -16.3 8.0 57.6 93.8 1319 386 C M G 3 S+ 0 0 109 13,-0.4 -1,-0.3 1,-0.3 12,-0.1 0.769 99.0 46.4 -64.6 -22.1 7.7 56.0 97.2 1320 387 C A G < S+ 0 0 26 -3,-1.5 2,-0.8 10,-0.1 -1,-0.3 0.533 89.0 106.2 -94.5 -9.6 4.1 55.0 96.1 1321 388 C N <> - 0 0 4 -3,-0.9 4,-3.0 -4,-0.3 5,-0.3 -0.592 63.3-149.3 -76.1 105.5 5.3 53.8 92.7 1322 389 C S H > S+ 0 0 20 -2,-0.8 4,-3.6 1,-0.2 5,-0.3 0.893 96.4 50.7 -37.9 -52.6 5.3 50.0 92.5 1323 390 C R H > S+ 0 0 31 61,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.950 112.7 44.6 -57.0 -52.1 8.2 49.9 90.1 1324 391 C A H >>>S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-1.1 0.921 117.0 45.5 -57.0 -49.6 10.3 52.1 92.2 1325 392 C K H ><5S+ 0 0 29 -4,-3.0 3,-0.6 -7,-0.3 -2,-0.2 0.981 109.5 54.0 -60.1 -53.7 9.5 50.3 95.3 1326 393 C A H 3<5S+ 0 0 1 -4,-3.6 -1,-0.3 -5,-0.3 -2,-0.2 0.705 118.4 39.0 -52.9 -16.6 10.0 46.9 93.7 1327 394 C I H <<5S- 0 0 11 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.721 102.9-129.1-101.7 -28.0 13.4 48.2 92.7 1328 395 C D T <<5S+ 0 0 66 -4,-2.4 -3,-0.2 -3,-0.6 -4,-0.1 0.959 79.4 106.7 69.6 58.0 14.4 50.2 95.9 1329 396 C N < + 0 0 59 -5,-1.1 -1,-0.1 -11,-0.1 -4,-0.1 -0.565 35.3 140.2-159.1 72.3 15.3 53.4 94.0 1330 397 C A + 0 0 11 -5,-0.1 -12,-0.2 -3,-0.1 -11,-0.1 0.097 14.4 133.0-116.6 23.4 12.3 55.5 94.9 1331 398 C E + 0 0 71 -13,-0.1 2,-0.2 -7,-0.1 -2,-0.0 -0.436 52.9 35.7 -70.4 144.9 13.7 59.0 95.6 1332 399 C G - 0 0 14 20,-0.1 -14,-1.5 -2,-0.1 -13,-0.4 -0.541 58.2-128.6 118.2-179.7 11.6 61.7 93.9 1333 400 C L E -KL13171351a 10 18,-2.8 18,-2.8 -16,-0.3 2,-0.4 -0.953 14.8-124.7-174.1 159.6 8.3 63.0 92.8 1334 401 C V E -KL13161350a 0 -18,-2.8 -18,-1.9 -2,-0.3 2,-0.4 -0.881 24.8-168.7-113.2 144.0 6.3 64.3 89.8 1335 402 C K E -KL13151349a 0 14,-2.3 14,-2.3 -2,-0.4 2,-0.4 -0.964 2.2-169.3-139.8 119.8 4.6 67.6 90.1 1336 403 C I E -KL13141348a 0 -22,-2.2 -22,-2.6 -2,-0.4 2,-0.4 -0.923 5.8-157.7-114.7 139.9 2.1 69.0 87.5 1337 404 C I E +KL13131347a 0 10,-3.0 9,-4.0 -2,-0.4 10,-1.2 -0.945 18.8 174.5-115.7 128.8 0.7 72.5 87.5 1338 405 C A E -KL13121345a 1 -26,-1.9 -26,-3.0 -2,-0.4 7,-0.2 -0.978 38.8-101.3-140.5 150.1 -2.6 73.4 85.8 1339 406 C E E > -K 1311 0a 43 5,-2.2 4,-2.7 -2,-0.3 -28,-0.3 -0.468 31.8-141.0 -64.4 127.3 -5.0 76.2 85.2 1340 407 C K T 4 S+ 0 0 96 -30,-3.5 -29,-0.2 -2,-0.2 -1,-0.2 0.915 97.7 44.8 -58.0 -45.8 -7.9 75.6 87.6 1341 408 C E T 4 S+ 0 0 171 -31,-0.6 -1,-0.1 1,-0.1 -30,-0.1 0.993 129.8 20.0 -59.6 -67.8 -10.5 76.7 85.0 1342 409 C T T 4 S- 0 0 77 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.790 88.5-131.5 -73.5 -39.1 -9.2 74.8 82.0 1343 410 C D < + 0 0 22 -4,-2.7 29,-1.7 1,-0.3 30,-0.2 0.445 51.0 158.8 90.5 6.4 -7.0 72.1 83.4 1344 411 C K B -M 1371 0b 71 27,-0.2 -5,-2.2 -5,-0.2 2,-0.5 -0.364 46.7-114.0 -62.4 137.7 -4.4 73.1 80.9 1345 412 C I E + L 01338a 7 25,-2.1 -7,-0.3 -7,-0.2 3,-0.1 -0.642 36.7 174.7 -80.2 125.6 -1.0 72.1 82.0 1346 413 C L E - 0 0 27 -9,-4.0 -47,-2.8 -2,-0.5 2,-0.3 0.798 65.2 -8.3 -95.2 -35.0 1.3 75.0 82.8 1347 414 C G E -JL12981337a 0 -10,-1.2 -10,-3.0 -49,-0.3 2,-0.4 -0.987 48.2-162.1-162.0 150.9 4.4 73.1 84.1 1348 415 C V E -JL12971336a 1 -51,-2.2 -51,-1.6 -2,-0.3 2,-0.4 -0.965 13.7-175.6-142.7 120.8 5.6 69.6 85.0 1349 416 C H E -JL12961335a 3 -14,-2.3 -14,-2.3 -2,-0.4 2,-0.4 -0.937 4.1-168.6-119.5 141.1 8.7 69.2 87.2 1350 417 C I E -JL12951334a 0 -55,-3.5 -55,-3.1 -2,-0.4 2,-0.5 -0.996 12.4-169.7-137.7 132.5 10.1 65.9 88.0 1351 418 C M E +JL12941333a 3 -18,-2.8 -18,-2.8 -2,-0.4 -57,-0.2 -0.994 46.6 96.8-120.2 121.4 12.8 64.9 90.5 1352 419 C A E > S-J 1293 0a 0 -59,-2.4 -59,-3.7 -2,-0.5 3,-0.9 -0.941 77.8 -78.8 174.6 171.1 13.9 61.3 90.1 1353 420 C P T 3 S+ 0 0 12 0, 0.0 -62,-0.1 0, 0.0 -64,-0.0 -0.629 119.1 19.4 -84.7 157.8 16.6 59.4 88.5 1354 421 C N T >> S+ 0 0 66 -2,-0.2 4,-1.5 1,-0.1 3,-1.2 0.768 83.1 133.9 59.0 20.3 16.1 58.9 84.8 1355 422 C A H <> + 0 0 0 -3,-0.9 4,-2.5 1,-0.3 5,-0.2 0.798 55.0 77.5 -72.5 -26.7 13.7 61.8 85.0 1356 423 C G H 34 S+ 0 0 0 1,-0.2 -1,-0.3 -4,-0.2 498,-0.2 0.637 104.0 37.2 -56.6 -13.1 15.4 63.1 81.9 1357 424 C E H X4 S+ 0 0 20 -3,-1.2 3,-2.3 2,-0.1 4,-0.4 0.817 111.2 56.8-100.2 -57.1 13.3 60.5 80.1 1358 425 C L H >X S+ 0 0 7 -4,-1.5 3,-1.2 1,-0.3 4,-0.7 0.740 93.3 71.0 -45.1 -33.9 10.2 60.8 82.1 1359 426 C I H 3X S+ 0 0 0 -4,-2.5 4,-3.9 1,-0.2 -1,-0.3 0.762 84.4 68.7 -59.8 -26.3 9.8 64.5 81.4 1360 427 C H H <> S+ 0 0 1 -3,-2.3 4,-2.4 2,-0.3 5,-0.4 0.767 88.6 62.5 -68.5 -22.8 8.9 63.9 77.7 1361 428 C E H <> S+ 0 0 5 -3,-1.2 4,-1.5 -4,-0.4 -1,-0.3 0.957 115.7 33.8 -63.1 -42.8 5.7 62.4 78.5 1362 429 C A H X S+ 0 0 2 -4,-0.7 4,-3.3 -3,-0.3 -2,-0.3 0.928 114.2 61.6 -72.9 -46.0 4.9 65.7 80.0 1363 430 C A H X S+ 0 0 6 -4,-3.9 4,-1.4 1,-0.2 -2,-0.2 0.840 108.2 40.5 -49.1 -42.3 6.9 67.6 77.4 1364 431 C I H >X S+ 0 0 9 -4,-2.4 4,-0.9 2,-0.2 3,-0.7 0.967 113.7 53.3 -76.9 -46.9 4.9 66.4 74.5 1365 432 C A H ><>S+ 0 0 8 -4,-1.5 5,-2.3 -5,-0.4 3,-0.7 0.884 109.2 50.6 -52.3 -40.8 1.6 66.8 76.3 1366 433 C L H ><5S+ 0 0 15 -4,-3.3 3,-1.3 1,-0.2 -1,-0.3 0.852 99.3 66.9 -65.0 -34.9 2.6 70.4 77.1 1367 434 C Q H <<5S+ 0 0 42 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.777 106.6 39.8 -55.3 -31.9 3.5 71.0 73.4 1368 435 C Y T <<5S- 0 0 86 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.1 -0.210 115.0-108.4-117.7 44.2 -0.2 70.7 72.4 1369 436 C D T < 5 + 0 0 110 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.812 60.5 169.6 34.7 52.1 -1.7 72.5 75.2 1370 437 C A < - 0 0 16 -5,-2.3 -25,-2.1 -6,-0.1 2,-0.2 -0.437 24.9-123.6 -87.9 168.1 -3.1 69.3 76.7 1371 438 C S B > -M 1344 0b 18 -27,-0.2 4,-1.7 -2,-0.1 5,-0.3 -0.692 23.1-105.0-109.9 162.4 -4.7 68.9 80.2 1372 439 C S H > S+ 0 0 0 -29,-1.7 4,-2.9 1,-0.3 5,-0.2 0.886 122.6 53.2 -45.9 -48.1 -4.1 66.7 83.2 1373 440 C E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.969 105.3 56.4 -55.3 -49.6 -7.1 64.7 82.4 1374 441 C D H >> S+ 0 0 50 1,-0.3 3,-0.8 2,-0.2 4,-0.5 0.901 112.7 37.4 -45.4 -61.2 -5.7 64.1 78.9 1375 442 C I H >< S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.882 117.1 54.0 -62.4 -37.1 -2.4 62.6 80.0 1376 443 C A H 3< S+ 0 0 4 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.698 100.1 61.6 -68.8 -23.6 -4.3 60.9 82.8 1377 444 C R H << S+ 0 0 86 -4,-2.1 2,-0.3 -3,-0.8 -1,-0.3 0.624 86.0 98.8 -76.2 -16.8 -6.6 59.4 80.2 1378 445 C V S << S- 0 0 2 -3,-1.2 2,-0.5 -4,-0.5 454,-0.1 -0.556 81.3-119.1 -76.9 133.1 -3.6 57.6 78.6 1379 446 C C - 0 0 14 -2,-0.3 2,-0.3 372,-0.1 -1,-0.1 -0.566 30.6-152.2 -74.2 120.5 -3.1 54.0 79.5 1380 447 C H - 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0 0 81 -2,-0.1 -4,-0.2 -85,-0.0 -5,-0.1 -0.939 43.7-119.9-151.2 122.9 -8.0 62.5 92.8 1400 467 C P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.048 9.2-141.7 -56.5 154.7 -5.2 59.8 92.7 1401 468 C I S S+ 0 0 8 1,-0.1 23,-0.1 2,-0.1 24,-0.1 0.284 94.3 42.2-104.5 7.0 -5.8 56.1 93.2 1402 469 C H 0 0 29 -11,-0.1 -1,-0.1 22,-0.0 -11,-0.0 0.245 360.0 360.0-139.7 15.1 -2.6 55.2 95.1 1403 470 C I 0 0 88 -3,-0.1 -2,-0.1 103,-0.1 -87,-0.0 0.299 360.0 360.0-163.8 360.0 -2.1 58.1 97.5 1404 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1405 4 D S 0 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.5 -26.8 47.2 109.7 1406 5 D D - 0 0 159 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.437 360.0-122.1 -63.6 141.4 -28.0 48.5 106.3 1407 6 D E - 0 0 106 1,-0.1 25,-0.1 -2,-0.1 -1,-0.1 -0.668 19.8 -89.2-106.9 156.8 -25.5 47.3 103.6 1408 7 D N - 0 0 7 -2,-0.3 134,-0.5 132,-0.1 25,-0.2 0.525 19.6-126.3 -39.5 176.9 -23.2 48.8 101.0 1409 8 D D S S+ 0 0 31 23,-1.9 134,-1.3 1,-0.2 133,-0.6 0.893 84.3 43.3 -93.6 -69.2 -23.5 49.7 97.3 1410 9 D V E -no14331543c 0 22,-2.2 24,-2.4 132,-0.1 2,-0.5 -0.717 59.5-164.6 -95.8 135.8 -20.6 48.0 95.4 1411 10 D V E -no14341544c 0 132,-2.5 134,-4.2 -2,-0.4 2,-0.5 -0.957 6.7-176.6-121.8 117.2 -19.5 44.5 95.8 1412 11 D I E -no14351545c 0 22,-2.5 24,-3.0 -2,-0.5 2,-0.9 -0.947 10.9-165.7-119.7 114.2 -16.2 43.4 94.4 1413 12 D I E +no14361546c 10 132,-1.9 134,-2.1 -2,-0.5 24,-0.2 -0.859 65.3 58.1 -97.1 99.9 -15.1 39.7 94.7 1414 13 D G - 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0 0 5 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 -0.773 61.9-150.9 -88.8 112.5 22.0 58.0 70.3 1790 389 D S H > S+ 0 0 19 -2,-0.8 4,-3.1 2,-0.2 5,-0.4 0.948 95.5 48.4 -43.4 -65.0 24.5 60.2 72.0 1791 390 D R H > S+ 0 0 36 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.927 112.7 48.4 -42.7 -62.2 23.3 59.5 75.5 1792 391 D A H >>S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-1.6 0.890 114.9 45.9 -49.4 -42.9 23.3 55.8 74.9 1793 392 D K H ><5S+ 0 0 32 -4,-3.0 3,-0.8 2,-0.2 -2,-0.2 0.994 108.0 54.3 -66.6 -56.2 26.8 56.0 73.5 1794 393 D A H 3<5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.772 117.5 41.2 -47.6 -20.7 28.1 58.2 76.3 1795 394 D I H 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.4 -2,-0.2 0.814 104.2-130.2 -95.1 -32.2 26.8 55.5 78.6 1796 395 D D T <<5S+ 0 0 75 -4,-2.2 -3,-0.2 -3,-0.8 -4,-0.1 0.926 77.9 109.4 74.6 54.6 27.9 52.4 76.6 1797 396 D N < + 0 0 66 -5,-1.6 -1,-0.1 -11,-0.1 -2,-0.1 -0.615 32.4 137.9-154.2 73.2 24.4 50.8 76.8 1798 397 D A + 0 0 12 -5,-0.1 -12,-0.1 -3,-0.1 -9,-0.1 0.105 16.3 131.1-116.8 22.2 23.3 51.2 73.2 1799 398 D E + 0 0 68 -13,-0.1 2,-0.1 -7,-0.1 -2,-0.0 -0.501 54.7 35.2 -71.3 147.3 21.6 47.9 72.4 1800 399 D G - 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F 01806i 11 25,-2.2 -7,-0.3 -7,-0.2 3,-0.1 -0.486 34.5-179.9 -76.1 134.3 0.9 56.6 63.8 1814 413 D L E - 0 0 25 -9,-4.1 -47,-2.8 1,-0.4 2,-0.3 0.786 64.8 -14.7-104.2 -31.2 -0.0 53.0 63.8 1815 414 D G E -DF17661805i 0 -10,-0.9 -10,-2.8 -49,-0.3 -1,-0.4 -0.952 48.3-156.1-166.6 149.0 2.4 51.4 66.2 1816 415 D V E -DF17651804i 1 -51,-2.2 -51,-1.8 -2,-0.3 2,-0.4 -0.988 17.2-173.1-130.4 124.2 5.6 52.3 67.9 1817 416 D H E -DF17641803i 2 -14,-2.2 -14,-2.1 -2,-0.4 2,-0.4 -0.975 1.6-169.7-121.3 137.5 7.7 49.4 69.0 1818 417 D I E -DF17631802i 0 -55,-4.1 -55,-2.7 -2,-0.4 2,-0.5 -0.989 12.8-172.7-129.5 137.3 10.8 49.9 71.1 1819 418 D M E +DF17621801i 3 -18,-2.3 -18,-2.4 -2,-0.4 -57,-0.2 -0.974 46.0 97.8-128.8 114.9 13.6 47.4 72.0 1820 419 D A E > S-D 1761 0i 0 -59,-2.5 -59,-4.5 -2,-0.5 3,-1.0 -0.948 79.1 -76.1 179.7 172.0 15.9 48.8 74.5 1821 420 D P T 3 S+ 0 0 14 0, 0.0 -62,-0.1 0, 0.0 -2,-0.1 -0.706 121.5 15.2 -85.3 142.9 16.6 48.9 78.2 1822 421 D N T >> S+ 0 0 65 -2,-0.3 4,-1.4 -63,-0.3 3,-1.3 0.759 83.7 136.2 66.5 20.2 14.2 51.1 79.9 1823 422 D A H <> + 0 0 0 -3,-1.0 4,-2.9 1,-0.3 5,-0.2 0.773 57.2 75.8 -70.3 -24.3 12.0 51.0 76.8 1824 423 D G H 34 S+ 0 0 1 1,-0.2 -1,-0.3 -4,-0.2 -443,-0.2 0.694 102.3 40.2 -60.5 -14.9 9.0 50.5 79.2 1825 424 D E H X4 S+ 0 0 21 -3,-1.3 3,-2.2 2,-0.1 4,-0.5 0.867 111.2 54.1 -97.0 -47.4 9.4 54.2 79.9 1826 425 D L H >X S+ 0 0 8 -4,-1.4 3,-1.4 1,-0.3 4,-0.9 0.858 96.5 69.3 -53.9 -42.3 10.1 55.5 76.4 1827 426 D I H 3X S+ 0 0 0 -4,-2.9 4,-3.2 1,-0.3 -1,-0.3 0.676 85.2 68.9 -56.1 -15.4 7.0 53.8 75.1 1828 427 D H H <> S+ 0 0 1 -3,-2.2 4,-4.2 2,-0.2 5,-0.3 0.891 91.5 58.0 -73.7 -32.2 4.8 56.2 77.0 1829 428 D E H <> S+ 0 0 5 -3,-1.4 4,-1.3 -4,-0.5 -1,-0.2 0.937 114.7 39.5 -58.0 -42.9 5.8 59.1 74.8 1830 429 D A H X S+ 0 0 2 -4,-0.9 4,-2.2 2,-0.2 5,-0.2 0.922 114.0 55.9 -71.8 -42.5 4.6 57.0 72.0 1831 430 D A H >X S+ 0 0 4 -4,-3.2 4,-1.9 1,-0.2 3,-0.6 0.972 107.7 45.2 -55.4 -54.9 1.7 55.8 74.0 1832 431 D I H 3< S+ 0 0 8 -4,-4.2 4,-0.5 1,-0.2 -1,-0.2 0.849 113.3 51.3 -61.9 -29.4 0.4 59.2 74.8 1833 432 D A H 3<>S+ 0 0 5 -4,-1.3 5,-2.2 -5,-0.3 3,-0.3 0.762 110.3 50.2 -74.0 -31.2 0.8 60.3 71.1 1834 433 D L H X<5S+ 0 0 16 -4,-2.2 3,-1.2 -3,-0.6 -1,-0.2 0.746 97.7 66.2 -80.9 -25.6 -1.1 57.3 69.9 1835 434 D Q T 3<5S+ 0 0 38 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 107.4 43.4 -67.4 -18.9 -3.9 57.9 72.3 1836 435 D Y T 3 5S- 0 0 90 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 -0.069 113.6-109.5-118.3 34.1 -4.7 61.0 70.4 1837 436 D D T < 5 + 0 0 115 -3,-1.2 -3,-0.2 1,-0.1 -2,-0.1 0.808 62.5 166.4 45.1 39.7 -4.4 59.9 66.8 1838 437 D A < - 0 0 15 -5,-2.2 -25,-2.2 -26,-0.1 2,-0.3 -0.338 26.1-128.1 -80.5 167.7 -1.2 62.0 66.5 1839 438 D S B >> -G 1812 0j 18 -27,-0.3 4,-1.8 -2,-0.1 3,-0.8 -0.806 22.6-104.6-118.1 157.4 1.4 61.8 63.7 1840 439 D S H 3> S+ 0 0 0 -29,-1.5 4,-2.7 1,-0.3 5,-0.2 0.875 121.5 52.7 -39.8 -58.4 5.1 61.4 63.4 1841 440 D E H 3> S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.916 106.0 56.2 -53.1 -39.0 5.6 64.9 62.5 1842 441 D D H <> S+ 0 0 50 -3,-0.8 4,-0.7 1,-0.3 3,-0.4 0.935 111.5 41.1 -56.8 -48.7 3.6 65.8 65.7 1843 442 D I H < S+ 0 0 0 -4,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.824 114.8 53.3 -70.6 -27.0 6.0 63.9 67.9 1844 443 D A H < S+ 0 0 4 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.705 99.0 63.8 -81.1 -16.5 8.9 65.2 65.9 1845 444 D R H < S+ 0 0 104 -4,-1.6 2,-0.2 -3,-0.4 -1,-0.2 0.739 84.8 95.1 -77.3 -22.5 7.7 68.7 66.4 1846 445 D V S < S- 0 0 2 -4,-0.7 2,-0.4 -3,-0.4 -482,-0.1 -0.494 80.5-118.8 -75.1 134.6 8.2 68.4 70.2 1847 446 D C - 0 0 14 -2,-0.2 2,-0.4 -484,-0.2 -1,-0.1 -0.553 29.6-158.1 -76.5 126.0 11.5 69.6 71.7 1848 447 D H - 0 0 4 -2,-0.4 2,-0.1 -4,-0.1 4,-0.1 -0.911 21.7-109.4-110.8 138.0 13.4 66.8 73.4 1849 448 D A - 0 0 0 -2,-0.4 6,-0.3 -493,-0.2 3,-0.3 -0.306 43.2-108.6 -62.1 127.6 16.0 67.3 76.1 1850 449 D H S S+ 0 0 14 1,-0.3 -591,-0.2 -565,-0.1 -592,-0.2 -0.830 96.8 29.5-100.4 137.9 19.5 66.5 75.0 1851 450 D P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.415 91.3 123.6-100.3 119.6 21.2 64.1 75.9 1852 451 D T > - 0 0 0 -3,-0.3 3,-1.8 -4,-0.1 4,-0.4 -0.977 67.8-123.6-138.9 150.7 18.3 61.6 76.5 1853 452 D M T > S+ 0 0 24 -2,-0.3 3,-0.7 1,-0.3 4,-0.5 0.725 110.5 72.8 -59.7 -22.4 17.3 58.1 75.3 1854 453 D S T >> S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.781 77.8 71.8 -62.8 -32.2 14.1 60.0 74.3 1855 454 D E H <> S+ 0 0 23 -3,-1.8 4,-2.7 -6,-0.3 -1,-0.2 0.886 88.3 64.3 -54.7 -38.8 15.9 61.6 71.4 1856 455 D A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 -1,-0.3 0.871 99.4 51.7 -50.7 -43.5 15.9 58.3 69.7 1857 456 D I H <> S+ 0 0 0 -3,-1.0 4,-1.3 -4,-0.5 -1,-0.3 0.912 109.0 51.0 -63.5 -38.1 12.1 58.4 69.6 1858 457 D K H X S+ 0 0 41 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.3 49.8 -63.4 -40.2 12.3 61.8 68.0 1859 458 D E H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.993 109.2 49.8 -59.7 -64.8 14.7 60.5 65.4 1860 459 D A H < S+ 0 0 0 -4,-2.4 -56,-0.3 1,-0.2 -1,-0.2 0.684 109.0 55.0 -44.2 -28.3 12.6 57.5 64.5 1861 460 D A H >X S+ 0 0 0 -4,-1.3 3,-3.3 -5,-0.2 4,-0.9 0.988 108.5 45.1 -72.4 -61.4 9.6 59.9 64.1 1862 461 D M H 3X S+ 0 0 26 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.873 105.9 62.3 -44.5 -46.0 11.4 62.2 61.7 1863 462 D A H 3< S+ 0 0 21 -4,-2.2 -1,-0.3 4,-0.2 -80,-0.2 0.529 103.4 57.4 -57.6 -9.4 12.6 59.0 59.8 1864 463 D T H <4 S+ 0 0 6 -3,-3.3 -2,-0.2 -5,-0.3 -83,-0.2 0.900 120.3 13.6 -88.3 -74.5 9.0 58.4 59.2 1865 464 D Y H < S- 0 0 57 -4,-0.9 -2,-0.2 -54,-0.1 -3,-0.1 0.730 139.9 -5.1 -76.6 -23.4 7.4 61.4 57.5 1866 465 D D S < S- 0 0 77 -4,-2.6 -4,-0.0 -5,-0.3 -25,-0.0 -0.005 100.4 -57.6-132.5-117.1 10.7 63.1 56.4 1867 466 D K - 0 0 92 -2,-0.1 -4,-0.2 -85,-0.0 -5,-0.1 -0.992 42.7-115.4-149.5 136.5 14.3 62.3 57.1 1868 467 D P - 0 0 16 0, 0.0 -9,-0.1 0, 0.0 -8,-0.0 -0.063 12.5-142.0 -59.1 162.5 16.4 61.9 60.4 1869 468 D I S S+ 0 0 12 1,-0.1 -913,-0.1 2,-0.1 -912,-0.1 0.384 94.6 40.2-113.6 -1.5 19.3 64.2 61.2 1870 469 D H 0 0 30 -914,-0.0 -1,-0.1 -832,-0.0 -11,-0.0 0.245 360.0 360.0-132.3 16.2 21.6 61.6 62.7 1871 470 D I 0 0 85 -833,-0.1 -87,-0.1 -12,-0.1 -2,-0.1 0.456 360.0 360.0-154.2 360.0 21.4 58.6 60.6