==== 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 HYDROLASE, TRANSFERASE 29-SEP-06 2IJD . COMPND 2 MOLECULE: PICORNAIN 3C, RNA-DIRECTED RNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN POLIOVIRUS 1; . AUTHOR L.L.MARCOTTE,D.W.GOHARA,D.J.FILMAN,J.M.HOGLE . 1288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 879 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 23 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 121 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 4 3 1 2 3 4 2 4 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 9 9 12 9 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 2 0 2 1 0 1 0 0 0 0 0 1 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 1 1 G > 0 0 85 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 136.9 25.4 80.8 15.2 2 2 1 P H > + 0 0 90 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.575 360.0 66.4 -78.5 -12.4 22.2 78.8 16.3 3 3 1 G H > S+ 0 0 11 2,-0.2 4,-2.1 3,-0.2 152,-0.1 0.926 106.9 40.8 -72.5 -42.1 19.8 81.4 15.0 4 4 1 F H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.973 114.1 51.5 -65.7 -56.8 20.9 80.7 11.5 5 5 1 D H X S+ 0 0 100 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.806 109.2 53.8 -52.1 -33.4 21.0 76.9 12.1 6 6 1 Y H X S+ 0 0 29 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.981 103.6 53.3 -63.9 -56.8 17.5 77.2 13.4 7 7 1 A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 -2,-0.2 0.828 112.5 46.4 -45.3 -40.3 16.2 79.0 10.4 8 8 1 V H X S+ 0 0 52 -4,-1.9 4,-2.9 2,-0.2 -1,-0.3 0.937 110.5 51.7 -70.3 -47.8 17.6 76.1 8.3 9 9 1 A H X S+ 0 0 46 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.850 111.7 46.2 -59.2 -39.9 16.2 73.4 10.6 10 10 1 M H >X S+ 0 0 8 -4,-2.7 4,-1.6 1,-0.2 3,-1.0 0.943 113.8 49.3 -66.8 -47.2 12.6 74.9 10.5 11 11 1 A H 3X S+ 0 0 9 -4,-1.7 4,-1.6 -5,-0.3 3,-0.3 0.888 96.1 71.9 -58.1 -45.2 12.8 75.3 6.8 12 12 1 K H 3< S+ 0 0 185 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 121.2 10.0 -44.6 -34.8 14.0 71.7 6.2 13 13 1 R H << S+ 0 0 178 -3,-1.0 71,-0.6 -4,-0.6 -1,-0.2 0.466 131.9 45.0-130.9 2.6 10.6 70.3 7.1 14 14 1 N H < S+ 0 0 0 -4,-1.6 15,-2.8 -3,-0.3 2,-0.5 0.310 94.8 77.0-128.0 8.2 8.1 73.2 7.3 15 15 1 I E < +A 28 0A 16 -4,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.984 52.7 163.1-126.8 127.9 8.8 75.3 4.2 16 16 1 V E -A 27 0A 24 11,-2.4 11,-2.8 -2,-0.5 2,-0.5 -0.891 39.0-105.1-134.9 162.4 7.7 74.4 0.7 17 17 1 T E -A 26 0A 20 -2,-0.3 33,-1.5 9,-0.2 2,-0.4 -0.809 34.8-169.7 -94.7 124.6 7.3 76.0 -2.7 18 18 1 A E -AB 25 49A 0 7,-2.9 7,-2.8 -2,-0.5 2,-0.5 -0.930 8.4-156.7-117.5 138.6 3.8 76.8 -3.7 19 19 1 T E +AB 24 48A 44 29,-2.5 29,-2.1 -2,-0.4 5,-0.2 -0.957 16.0 173.1-118.2 121.5 2.6 77.9 -7.2 20 20 1 T E > -A 23 0A 15 3,-2.3 3,-0.8 -2,-0.5 22,-0.1 -0.393 57.3 -85.1-107.7-171.8 -0.7 79.8 -7.6 21 21 1 S T 3 S+ 0 0 109 21,-0.5 3,-0.1 1,-0.3 21,-0.1 0.601 129.4 59.5 -72.1 -6.2 -2.1 81.5 -10.7 22 22 1 K T 3 S- 0 0 131 1,-0.4 -1,-0.3 19,-0.3 20,-0.0 -0.317 117.3 -90.7-116.6 48.5 0.1 84.4 -9.6 23 23 1 G E < -A 20 0A 40 -3,-0.8 -3,-2.3 2,-0.0 -1,-0.4 -0.105 63.8 -32.1 79.2-175.4 3.6 82.8 -9.6 24 24 1 E E -A 19 0A 60 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.599 54.5-177.8 -84.3 140.0 5.8 80.9 -7.0 25 25 1 F E -A 18 0A 16 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.3 -0.973 31.3-114.6-137.5 150.9 5.8 81.6 -3.3 26 26 1 T E -A 17 0A 0 121,-1.4 2,-0.4 -2,-0.3 -9,-0.2 -0.652 40.3-160.4 -78.0 136.0 7.6 80.4 -0.2 27 27 1 M E -A 16 0A 0 -11,-2.8 -11,-2.4 -2,-0.3 2,-0.6 -0.958 14.9-145.4-134.3 128.3 5.1 78.6 2.0 28 28 1 L E -AC 15 36A 3 8,-0.9 8,-2.0 -2,-0.4 2,-0.7 -0.754 10.5-149.9 -89.4 118.4 5.1 77.8 5.7 29 29 1 G E - C 0 35A 0 -15,-2.8 6,-0.3 -2,-0.6 55,-0.2 -0.780 18.4-178.8 -83.8 116.9 3.4 74.5 6.6 30 30 1 V E - 0 0 0 4,-1.9 56,-2.4 -2,-0.7 2,-0.3 0.860 54.0 -30.1 -90.1 -40.6 2.1 75.2 10.2 31 31 1 H E > S- C 0 34A 19 3,-1.6 3,-3.4 54,-0.2 -1,-0.3 -0.939 101.9 -23.4-173.0 158.3 0.5 71.9 11.2 32 32 1 D B 3 S-O 83 0B 61 51,-0.7 51,-2.2 1,-0.3 44,-0.0 -0.071 129.0 -22.3 38.2-101.2 -1.4 68.9 9.9 33 33 1 N T 3 S+ 0 0 41 49,-0.2 44,-2.3 2,-0.0 2,-0.5 0.156 111.8 109.4-119.5 9.8 -2.8 70.3 6.6 34 34 1 V E < +CD 31 76A 24 -3,-3.4 -4,-1.9 42,-0.2 -3,-1.6 -0.805 35.6 159.8 -98.8 127.9 -2.8 74.0 7.4 35 35 1 A E -CD 29 75A 0 40,-1.8 40,-1.7 -2,-0.5 2,-0.3 -0.961 24.9-137.9-140.4 156.6 -0.3 76.3 5.7 36 36 1 I E +CD 28 74A 0 -8,-2.0 -8,-0.9 -2,-0.3 38,-0.2 -0.840 21.6 165.4-118.6 157.5 -0.2 80.0 5.2 37 37 1 L E - D 0 73A 0 36,-1.6 36,-2.2 -2,-0.3 -10,-0.1 -0.945 47.7 -70.2-159.2 161.2 0.8 82.4 2.3 38 38 1 P E > - D 0 72A 0 0, 0.0 3,-1.6 0, 0.0 34,-0.2 -0.277 38.0-128.6 -61.5 141.1 0.3 86.1 1.4 39 39 1 T G > S+ 0 0 35 32,-1.2 3,-1.1 1,-0.3 33,-0.1 0.892 107.7 60.1 -56.7 -44.0 -3.3 87.2 0.6 40 40 1 H G 3 S+ 0 0 80 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.618 87.4 76.0 -62.6 -11.1 -2.2 88.9 -2.7 41 41 1 A G < S- 0 0 0 -3,-1.6 -1,-0.3 -20,-0.0 -19,-0.3 0.117 92.6-152.0 -84.9 21.2 -1.0 85.4 -3.8 42 42 1 S < - 0 0 55 -3,-1.1 -21,-0.5 1,-0.1 2,-0.2 0.537 5.3-139.0 2.1 92.9 -4.7 84.7 -4.3 43 43 1 P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.501 19.7-160.0 -71.4 135.1 -5.1 80.9 -3.7 44 44 1 G - 0 0 43 2,-0.7 12,-0.0 -2,-0.2 -24,-0.0 0.077 44.1 -69.9 -93.9-153.7 -7.4 79.2 -6.2 45 45 1 E S S+ 0 0 176 10,-0.1 11,-3.0 12,-0.0 2,-0.2 0.792 117.8 15.7 -74.3 -28.6 -9.2 75.9 -6.0 46 46 1 S E - E 0 55A 47 9,-0.3 -2,-0.7 31,-0.0 2,-0.3 -0.689 68.4-155.9-131.4-174.6 -5.9 74.0 -6.4 47 47 1 I E - E 0 54A 2 7,-1.3 7,-1.7 -2,-0.2 2,-0.5 -0.913 21.6-116.6-169.3 138.9 -2.2 74.7 -6.1 48 48 1 V E -BE 19 53A 60 -29,-2.1 -29,-2.5 -2,-0.3 2,-0.5 -0.694 33.0-174.1 -83.8 121.5 1.2 73.3 -7.4 49 49 1 I E > -BE 18 52A 32 3,-3.4 3,-2.0 -2,-0.5 -31,-0.2 -0.965 63.0 -33.6-124.7 120.2 3.4 72.0 -4.6 50 50 1 D T 3 S- 0 0 110 -33,-1.5 -1,-0.1 -2,-0.5 -32,-0.1 0.825 134.0 -28.2 41.2 45.1 7.0 70.8 -5.1 51 51 1 G T 3 S+ 0 0 69 -34,-0.2 -1,-0.3 1,-0.1 2,-0.3 -0.094 123.4 55.2 116.0 -38.9 6.1 69.6 -8.6 52 52 1 K E < S-E 49 0A 167 -3,-2.0 -3,-3.4 -5,-0.1 -1,-0.1 -0.845 79.5 -81.5-135.0 172.8 2.4 68.6 -8.7 53 53 1 E E +E 48 0A 133 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.368 35.0 179.8 -69.7 138.7 -1.2 69.7 -8.1 54 54 1 V E -E 47 0A 21 -7,-1.7 -7,-1.3 -2,-0.1 2,-0.1 -0.988 24.1-127.8-141.4 127.2 -2.8 69.7 -4.7 55 55 1 A E -E 46 0A 39 23,-0.4 23,-2.3 -2,-0.4 2,-0.8 -0.431 15.0-125.6 -79.4 152.6 -6.4 70.7 -4.1 56 56 1 I E -F 77 0A 20 -11,-3.0 21,-0.2 21,-0.2 3,-0.2 -0.868 14.3-166.5-103.2 104.6 -7.5 73.3 -1.5 57 57 1 L E S- 0 0 122 19,-1.5 2,-0.2 -2,-0.8 -1,-0.2 0.867 75.5 -27.6 -52.6 -42.7 -10.1 71.9 0.8 58 58 1 A E -F 76 0A 58 18,-0.8 18,-0.9 -3,-0.1 2,-0.3 -0.853 60.2-148.5-176.9 142.5 -10.8 75.5 2.0 59 59 1 A - 0 0 57 -2,-0.2 2,-0.4 16,-0.2 16,-0.2 -0.796 8.0-159.3-116.7 157.9 -9.0 78.8 2.3 60 60 1 K - 0 0 134 14,-0.4 14,-2.5 -2,-0.3 2,-0.2 -0.988 5.5-151.0-143.7 129.7 -9.3 81.7 4.8 61 61 1 A E -G 73 0A 66 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.500 22.3-130.7 -89.9 164.6 -8.3 85.3 4.6 62 62 1 L E + 0 0 25 10,-0.8 8,-2.8 -2,-0.2 9,-0.7 -0.976 31.2 156.4-134.0 135.0 -7.4 87.3 7.8 63 63 1 A E -G 69 0A 55 -2,-0.4 6,-0.2 6,-0.3 5,-0.1 -0.787 32.0-115.0-133.4 171.4 -8.4 90.6 9.2 64 64 1 D > - 0 0 18 4,-2.1 3,-1.4 -2,-0.2 6,-0.0 -0.374 43.0 -78.6-105.9-173.4 -8.5 92.2 12.7 65 65 1 Q T 3 S+ 0 0 159 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.688 132.0 49.8 -56.3 -23.1 -11.1 93.4 15.2 66 66 1 A T 3 S- 0 0 75 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.633 120.6-108.7 -90.8 -18.4 -11.4 96.6 13.2 67 67 1 G S < S+ 0 0 55 -3,-1.4 -2,-0.1 1,-0.3 2,-0.0 0.216 70.9 145.9 106.2 -10.2 -11.8 94.8 9.9 68 68 1 T - 0 0 25 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.295 54.0-103.5 -60.6 137.1 -8.3 95.8 8.7 69 69 1 N E -hG 132 63A 29 62,-0.6 64,-2.1 -6,-0.2 -6,-0.3 -0.330 22.9-167.4 -66.8 143.0 -6.4 93.3 6.5 70 70 1 L E - 0 0 5 -8,-2.8 -7,-0.2 2,-0.2 -1,-0.1 0.519 37.7-127.3-102.2 -12.9 -3.5 91.2 8.0 71 71 1 E E S+ 0 0 11 -9,-0.7 -32,-1.2 1,-0.2 2,-0.4 0.689 70.4 118.0 69.8 25.5 -2.3 90.0 4.6 72 72 1 I E -D 38 0A 1 -10,-0.5 -10,-0.8 -34,-0.2 2,-0.4 -0.970 42.1-171.8-123.9 134.4 -2.4 86.3 5.6 73 73 1 T E -DG 37 61A 6 -36,-2.2 -36,-1.6 -2,-0.4 2,-0.8 -0.995 12.6-151.6-126.3 133.4 -4.5 83.5 4.2 74 74 1 I E -D 36 0A 14 -14,-2.5 -14,-0.4 -2,-0.4 -38,-0.2 -0.864 20.6-172.4-105.6 101.6 -4.6 80.1 5.9 75 75 1 I E -D 35 0A 0 -40,-1.7 -40,-1.8 -2,-0.8 2,-0.4 -0.452 15.5-140.0 -89.3 166.2 -5.3 77.4 3.3 76 76 1 T E -DF 34 58A 34 -18,-0.9 -19,-1.5 -42,-0.2 -18,-0.8 -0.996 14.4-143.0-128.9 124.6 -6.0 73.8 3.9 77 77 1 L E - F 0 56A 8 -44,-2.3 2,-1.0 -2,-0.4 -21,-0.2 -0.611 11.0-132.3 -88.8 147.5 -4.5 71.1 1.6 78 78 1 K + 0 0 151 -23,-2.3 -23,-0.4 -2,-0.2 2,-0.3 -0.754 68.2 83.9-101.3 88.3 -6.4 67.9 0.6 79 79 1 R S S- 0 0 144 -2,-1.0 -2,-0.1 2,-0.1 -25,-0.0 -0.959 88.4 -98.6-176.1 160.5 -3.9 65.2 1.2 80 80 1 N S S+ 0 0 140 -2,-0.3 2,-1.0 2,-0.1 -2,-0.0 0.269 77.1 129.1 -69.7 9.8 -2.3 62.8 3.7 81 81 1 E - 0 0 92 -48,-0.1 2,-0.6 1,-0.0 -4,-0.1 -0.606 42.3-165.6 -75.7 99.6 0.6 65.3 3.9 82 82 1 K - 0 0 127 -2,-1.0 -49,-0.2 -49,-0.1 2,-0.1 -0.788 5.5-152.3 -90.3 115.3 1.2 66.0 7.6 83 83 1 F B -O 32 0B 19 -51,-2.2 -51,-0.7 -2,-0.6 2,-0.2 -0.429 36.6 -91.2 -75.7 160.6 3.4 69.1 8.4 84 84 1 R - 0 0 87 -71,-0.6 2,-0.8 -55,-0.2 -1,-0.1 -0.565 44.9-111.2 -68.9 137.9 5.3 69.0 11.6 85 85 1 D + 0 0 73 -2,-0.2 -54,-0.2 1,-0.2 -1,-0.1 -0.611 53.7 160.2 -69.8 112.8 3.2 70.5 14.2 86 86 1 I >> + 0 0 1 -56,-2.4 3,-1.1 -2,-0.8 4,-0.6 0.025 31.5 117.7-125.0 25.9 5.2 73.7 14.8 87 87 1 R G >4 S+ 0 0 30 1,-0.2 3,-2.6 -57,-0.2 -1,-0.1 0.958 72.5 60.7 -56.5 -52.1 2.4 75.8 16.3 88 88 1 P G 34 S+ 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.718 97.8 59.4 -48.1 -23.4 4.5 76.0 19.6 89 89 1 H G <4 S+ 0 0 61 -3,-1.1 68,-1.7 67,-0.1 -2,-0.2 0.757 87.6 86.8 -79.3 -20.4 7.3 77.8 17.6 90 90 1 I S << S- 0 0 0 -3,-2.6 68,-0.1 -4,-0.6 86,-0.1 -0.641 88.5-120.1 -78.5 129.5 4.9 80.5 16.7 91 91 1 P - 0 0 17 0, 0.0 85,-2.1 0, 0.0 -1,-0.1 -0.214 9.6-126.2 -68.0 164.5 4.9 83.2 19.5 92 92 1 T S S+ 0 0 80 83,-0.2 85,-0.4 84,-0.1 2,-0.3 0.792 90.7 27.2 -80.8 -30.7 1.7 84.0 21.4 93 93 1 Q S S- 0 0 130 82,-0.1 81,-0.1 83,-0.1 -1,-0.1 -0.899 106.0 -67.3-132.4 162.6 2.1 87.7 20.6 94 94 1 I - 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0 0 133 -2,-0.8 -7,-0.2 -7,-0.1 2,-0.1 -0.601 44.6 -75.1-110.5 174.0 -28.9 79.3 79.7 1193 548 2 T - 0 0 78 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.469 47.3-129.5 -70.8 143.0 -29.1 78.6 76.0 1194 549 2 V - 0 0 18 -137,-0.5 2,-0.3 -2,-0.1 -137,-0.3 -0.820 30.3-178.7 -94.7 124.5 -32.6 78.5 74.6 1195 550 2 T > - 0 0 57 -2,-0.5 4,-2.8 1,-0.1 3,-0.3 -0.806 43.3-112.4-119.8 165.7 -33.4 75.4 72.6 1196 551 2 W T 4 S+ 0 0 81 -2,-0.3 10,-0.6 1,-0.2 -1,-0.1 0.822 121.5 59.6 -62.0 -26.4 -36.6 74.3 70.7 1197 552 2 E T 4 S+ 0 0 125 1,-0.2 -1,-0.2 8,-0.1 9,-0.1 0.892 120.5 23.5 -68.0 -39.7 -36.7 71.6 73.3 1198 553 2 N T 4 S+ 0 0 56 -3,-0.3 -2,-0.2 7,-0.1 -1,-0.2 0.575 96.3 104.9-106.8 -5.3 -36.9 74.3 76.1 1199 554 2 V < - 0 0 6 -4,-2.8 7,-0.6 7,-0.1 2,-0.4 -0.430 47.0-166.3 -75.3 152.7 -38.4 77.4 74.5 1200 555 2 T B -E 1205 0S 25 5,-0.2 5,-0.3 1,-0.1 -14,-0.1 -0.998 10.0-178.4-135.9 128.9 -42.0 78.4 75.1 1201 556 2 F S S+ 0 0 0 3,-2.3 4,-0.1 -2,-0.4 -1,-0.1 0.905 75.3 11.7-107.4 -54.9 -44.0 80.9 73.1 1202 557 2 L S S- 0 0 22 2,-0.3 -44,-0.1 3,-0.1 -48,-0.0 -0.027 127.8 -61.6 -93.1-139.6 -47.6 81.4 74.3 1203 558 2 K S S+ 0 0 125 -2,-0.0 2,-0.2 -3,-0.0 21,-0.1 0.649 122.0 104.4 -74.9 6.8 -47.7 79.7 77.7 1204 559 2 R - 0 0 43 16,-0.2 -3,-2.3 1,-0.1 -2,-0.3 -0.459 63.0-143.1 -88.9 148.8 -46.9 76.7 75.3 1205 560 2 F E -EF12001219S 40 14,-2.3 14,-2.6 -5,-0.3 2,-0.5 -0.394 25.6-114.3 -93.0 171.8 -43.9 74.5 74.3 1206 561 2 F E + F 01218S 10 -7,-0.6 2,-0.3 -10,-0.6 -7,-0.1 -0.970 37.6 163.5-117.2 124.9 -43.0 73.1 70.9 1207 562 2 R E - F 01217S 83 10,-1.6 10,-2.8 -2,-0.5 2,-0.1 -0.958 31.7-128.4-144.6 123.2 -43.1 69.4 70.2 1208 563 2 A E - F 01216S 58 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.427 31.8-108.3 -71.1 140.1 -43.2 67.6 66.8 1209 564 2 D - 0 0 13 6,-2.6 -1,-0.1 3,-0.6 6,-0.1 -0.325 21.5-133.8 -62.6 147.2 -45.9 65.0 66.2 1210 565 2 E S S+ 0 0 184 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.983 102.2 37.3 -67.6 -54.8 -44.5 61.5 66.1 1211 566 2 K S S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.820 131.7 28.4 -67.2 -34.6 -46.3 60.4 62.9 1212 567 2 Y > - 0 0 21 3,-0.1 3,-3.0 -568,-0.1 -3,-0.6 -0.660 67.3-179.1-128.1 77.0 -46.1 63.6 61.1 1213 568 2 P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.588 80.0 70.3 -54.7 -5.1 -42.9 65.3 62.4 1214 569 2 F T 3 S+ 0 0 36 -6,-0.1 2,-0.4 -3,-0.0 -4,-0.1 0.749 86.5 70.8 -85.1 -25.9 -43.8 68.1 60.0 1215 570 2 L S < S- 0 0 0 -3,-3.0 -6,-2.6 -6,-0.1 2,-0.5 -0.784 76.8-147.9 -90.4 134.9 -46.8 69.2 62.2 1216 571 2 I E -F 1208 0S 21 -2,-0.4 -8,-0.2 -8,-0.2 -169,-0.2 -0.921 4.4-140.0-111.7 123.3 -45.9 70.8 65.5 1217 572 2 H E -F 1207 0S 12 -10,-2.8 -10,-1.6 -2,-0.5 2,-0.8 -0.545 11.2-135.5 -75.6 136.6 -48.0 70.5 68.6 1218 573 2 P E -F 1206 0S 1 0, 0.0 2,-0.9 0, 0.0 -12,-0.2 -0.825 27.3-153.8 -89.7 116.0 -48.5 73.6 70.9 1219 574 2 V E -F 1205 0S 14 -14,-2.6 -14,-2.3 -2,-0.8 30,-0.1 -0.757 12.7-165.6-107.3 103.8 -48.0 72.1 74.3 1220 575 2 M - 0 0 7 -2,-0.9 -16,-0.2 28,-0.5 5,-0.1 -0.655 37.0-111.4 -75.2 121.6 -49.6 73.8 77.3 1221 576 2 P >> - 0 0 35 0, 0.0 4,-0.8 0, 0.0 3,-0.7 -0.331 20.6-128.4 -57.4 138.3 -48.0 72.4 80.4 1222 577 2 M H >> S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 3,-1.0 0.855 104.5 68.7 -59.2 -35.6 -50.5 70.3 82.2 1223 578 2 K H 3> S+ 0 0 157 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.912 96.9 53.6 -46.1 -49.8 -49.8 72.2 85.5 1224 579 2 E H <> S+ 0 0 55 -3,-0.7 4,-1.4 1,-0.2 -1,-0.3 0.832 111.6 45.1 -53.9 -37.6 -51.4 75.2 83.9 1225 580 2 I H < S+ 0 0 9 -4,-2.6 3,-0.5 -5,-0.3 -1,-0.2 0.918 113.3 42.3 -64.6 -43.2 -54.6 75.0 88.1 1228 583 2 S H >< S+ 0 0 45 -4,-1.4 3,-1.4 -3,-0.2 -2,-0.2 0.841 105.8 59.4 -73.7 -39.0 -57.5 76.3 86.0 1229 584 2 I T 3< S+ 0 0 1 -4,-2.7 -371,-0.5 1,-0.2 -1,-0.2 0.572 92.4 71.4 -70.5 -7.2 -59.8 73.3 86.2 1230 585 2 R T < S+ 0 0 18 -3,-0.5 -374,-1.6 -4,-0.5 2,-0.3 0.422 100.1 46.2 -88.9 1.6 -60.0 73.6 90.0 1231 586 2 W E < -X 855 0N 24 -3,-1.4 2,-0.3 -376,-0.3 -378,-0.1 -0.921 61.4-171.9-139.3 162.3 -62.0 76.8 89.9 1232 587 2 T E -X 854 0N 11 -378,-2.5 -378,-2.9 -2,-0.3 -3,-0.0 -0.988 25.4-159.7-157.0 148.2 -65.1 78.2 88.2 1233 588 2 K S S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.3 -380,-0.0 0.699 99.0 19.8 -95.4 -27.9 -67.1 81.5 87.8 1234 589 2 D > - 0 0 44 -380,-0.1 3,-1.9 1,-0.0 -1,-0.3 -0.844 65.4-160.3-146.9 103.8 -70.3 79.6 86.7 1235 590 2 P G > S+ 0 0 63 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.529 87.7 72.9 -61.7 -9.1 -70.7 75.9 87.5 1236 591 2 R G 3 S+ 0 0 204 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.718 94.1 55.5 -78.1 -20.9 -73.3 75.5 84.8 1237 592 2 N G <> + 0 0 70 -3,-1.9 4,-3.1 1,-0.2 5,-0.3 0.110 67.7 114.1 -95.6 18.5 -70.5 75.8 82.2 1238 593 2 T H <> S+ 0 0 16 -3,-0.9 4,-3.9 1,-0.2 5,-0.4 0.956 77.9 53.5 -56.3 -49.5 -68.4 72.9 83.6 1239 594 2 Q H > S+ 0 0 57 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.939 114.9 39.6 -44.8 -59.4 -69.0 71.0 80.3 1240 595 2 D H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 118.4 47.9 -61.4 -40.7 -67.8 74.0 78.2 1241 596 2 H H X S+ 0 0 51 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.905 115.3 42.8 -71.4 -44.0 -65.0 74.9 80.5 1242 597 2 V H X S+ 0 0 0 -4,-3.9 4,-1.9 -5,-0.3 -2,-0.2 0.879 114.7 52.8 -67.6 -37.0 -63.6 71.3 80.9 1243 598 2 R H X S+ 0 0 78 -4,-2.3 4,-1.7 -5,-0.4 -2,-0.2 0.925 106.0 52.7 -60.5 -49.4 -64.1 70.8 77.1 1244 599 2 S H < S+ 0 0 70 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.884 108.6 52.1 -54.8 -40.4 -62.1 74.0 76.4 1245 600 2 L H >X S+ 0 0 14 -4,-1.6 4,-3.0 1,-0.2 3,-1.9 0.875 100.8 58.6 -68.2 -39.6 -59.3 72.6 78.5 1246 601 2 C H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 5,-0.2 0.927 97.5 63.1 -55.1 -42.5 -59.2 69.2 76.7 1247 602 2 L H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.690 114.1 34.6 -54.9 -17.9 -58.5 71.2 73.5 1248 603 2 L H X4 S+ 0 0 48 -3,-1.9 3,-1.1 -4,-0.3 -28,-0.5 0.844 115.2 52.9-101.6 -47.5 -55.3 72.3 75.2 1249 604 2 A H >< S+ 0 0 0 -4,-3.0 3,-2.6 1,-0.2 -2,-0.2 0.825 92.6 71.1 -58.5 -39.6 -54.4 69.2 77.2 1250 605 2 W G >< S+ 0 0 7 -4,-2.6 3,-2.0 1,-0.3 -1,-0.2 0.753 81.5 73.9 -56.8 -25.2 -54.4 66.7 74.4 1251 606 2 H G < S+ 0 0 10 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.600 80.4 75.0 -65.8 -5.5 -51.3 68.1 72.8 1252 607 2 N G < S- 0 0 38 -3,-2.6 4,-0.3 1,-0.2 -1,-0.3 0.396 115.5 -93.8 -85.4 8.5 -49.4 66.5 75.7 1253 608 2 G <> - 0 0 25 -3,-2.0 4,-2.9 1,-0.1 3,-0.3 0.071 34.8 -79.6 98.1 150.3 -49.9 63.1 74.0 1254 609 2 E H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.831 125.8 52.4 -56.0 -40.6 -52.4 60.2 74.2 1255 610 2 E H > S+ 0 0 146 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.909 116.2 41.1 -65.5 -39.0 -50.9 58.7 77.4 1256 611 2 E H > S+ 0 0 90 -4,-0.3 4,-1.7 -3,-0.3 3,-0.3 0.886 114.4 49.6 -70.4 -45.7 -51.1 62.0 79.2 1257 612 2 Y H X S+ 0 0 0 -4,-2.9 4,-2.7 -7,-0.2 5,-0.2 0.886 107.7 55.6 -65.4 -39.2 -54.5 63.1 77.9 1258 613 2 N H X S+ 0 0 63 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.822 106.4 50.0 -65.1 -29.2 -55.9 59.7 78.8 1259 614 2 K H X S+ 0 0 119 -4,-0.8 4,-2.4 -3,-0.3 -1,-0.2 0.859 110.2 52.3 -72.6 -36.1 -54.8 60.2 82.5 1260 615 2 F H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.952 111.0 44.1 -64.7 -52.9 -56.4 63.6 82.4 1261 616 2 L H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.939 112.5 55.8 -55.1 -47.3 -59.7 62.3 81.2 1262 617 2 A H < S+ 0 0 58 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.864 109.2 44.6 -52.4 -44.6 -59.3 59.5 83.7 1263 618 2 K H >< S+ 0 0 105 -4,-2.4 3,-1.8 2,-0.2 4,-0.4 0.934 111.6 52.5 -70.0 -43.1 -58.9 61.9 86.6 1264 619 2 I H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.883 111.7 48.3 -55.7 -39.4 -61.8 64.1 85.4 1265 620 2 R T 3< S+ 0 0 71 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.401 85.4 88.3 -83.5 1.7 -63.9 61.0 85.3 1266 621 2 S T < S+ 0 0 66 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.778 90.5 51.9 -70.8 -22.2 -62.9 59.9 88.8 1267 622 2 V S X> S- 0 0 42 -3,-0.8 3,-1.7 -4,-0.4 4,-0.9 -0.886 93.4-113.5-116.4 148.2 -65.8 62.0 90.2 1268 623 2 P H >> S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 3,-0.6 0.784 114.7 52.9 -46.2 -47.7 -69.5 61.9 89.2 1269 624 2 I H 34 S+ 0 0 96 1,-0.2 -4,-0.1 2,-0.2 -411,-0.1 0.749 107.3 57.8 -65.8 -20.7 -69.7 65.4 87.7 1270 625 2 G H <4 S+ 0 0 0 -3,-1.7 3,-0.3 -6,-0.2 -1,-0.2 0.770 105.4 45.6 -79.5 -30.6 -66.7 64.4 85.6 1271 626 2 R H << S+ 0 0 153 -4,-0.9 2,-4.1 -3,-0.6 -2,-0.2 0.927 99.7 66.5 -80.0 -45.5 -68.3 61.3 83.9 1272 627 2 A S < S+ 0 0 87 -4,-1.8 2,-0.4 2,-0.1 -1,-0.2 -0.130 86.9 104.4 -69.5 51.0 -71.6 63.0 83.0 1273 628 2 L S S- 0 0 13 -2,-4.1 2,-1.3 -3,-0.3 -3,-0.0 -0.991 72.0-138.8-138.5 126.8 -69.4 65.1 80.7 1274 629 2 D + 0 0 114 -2,-0.4 -2,-0.1 2,-0.0 -3,-0.1 -0.718 38.7 167.7 -86.8 89.9 -69.2 64.7 77.0 1275 630 2 L - 0 0 8 -2,-1.3 2,-0.1 -4,-0.2 -2,-0.1 -0.853 35.9-106.6-110.9 144.2 -65.5 65.1 76.4 1276 631 2 P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.405 28.9-124.1 -71.7 139.4 -63.6 64.2 73.2 1277 632 2 E > - 0 0 86 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.372 30.7-104.0 -78.1 161.9 -61.3 61.1 72.9 1278 633 2 Y H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 120.9 47.2 -52.8 -46.3 -57.7 61.5 71.8 1279 634 2 S H > S+ 0 0 67 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.959 105.1 58.0 -62.1 -55.4 -58.3 60.3 68.3 1280 635 2 T H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 116.5 37.0 -39.7 -53.4 -61.4 62.4 67.7 1281 636 2 L H X S+ 0 0 6 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.800 115.3 52.5 -71.4 -33.6 -59.2 65.5 68.4 1282 637 2 Y H X S+ 0 0 25 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.886 113.4 44.5 -72.4 -38.2 -56.0 64.2 66.7 1283 638 2 D H X S+ 0 0 92 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.884 109.6 54.5 -70.9 -39.2 -57.9 63.4 63.5 1284 639 2 R H < S+ 0 0 127 -4,-1.7 4,-0.5 -5,-0.5 -1,-0.2 0.802 110.1 50.9 -63.9 -24.9 -59.7 66.7 63.6 1285 640 2 W H < S+ 0 0 8 -4,-1.0 3,-0.5 2,-0.2 4,-0.4 0.860 101.3 57.7 -79.2 -40.1 -56.2 68.2 63.9 1286 641 2 L H < S+ 0 0 11 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.760 114.2 40.1 -65.2 -24.4 -54.7 66.5 60.9 1287 642 2 D S < S+ 0 0 102 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.583 95.8 80.5 -98.4 -10.6 -57.4 67.9 58.7 1288 643 2 S 0 0 51 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.619 360.0 360.0 -70.4 -11.1 -57.4 71.4 60.3 1289 644 2 F 0 0 53 -4,-0.4 -722,-0.1 -3,-0.3 -245,-0.0 -0.076 360.0 360.0 -78.8 360.0 -54.4 72.4 58.2