#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n LYS 2 N 0.00 -0.91 -0.35 2.12 4.81 -1.26 -4.59 118.16 117.97 2hgj n LYS 2 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2hgj n LYS 2 Cb 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.04 2hgj n LYS 2 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2hgj n ARG 3 N -0.88 0.88 -3.56 1.64 3.00 -1.26 -4.40 116.66 112.07 2hgj n ARG 3 Ca 0.00 -0.95 -0.18 0.00 -0.01 0.00 0.00 57.85 56.71 2hgj n ARG 3 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 32.46 30.20 2hgj n ARG 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2hgj n THR 4 N 4.81 -0.74 0.00 0.55 -2.24 -1.26 -4.73 114.28 110.66 2hgj n THR 4 Ca 0.21 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2hgj n THR 4 Cb 0.08 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2hgj n THR 4 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 2hgj n TRP 5 N -2.88 0.00 -2.92 4.78 -0.00 -1.26 -5.10 117.44 110.07 2hgj n TRP 5 Ca -0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.35 2hgj n TRP 5 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 31.31 31.63 2hgj n TRP 5 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2hgj n GLN 6 N 0.00 -2.37 -0.09 5.87 1.13 -1.26 -4.94 117.38 115.72 2hgj n GLN 6 Ca 0.00 2.00 -0.06 0.00 -1.94 0.00 0.00 57.00 56.99 2hgj n GLN 6 Cb 0.00 -2.51 0.06 0.00 0.11 0.00 0.00 30.24 27.89 2hgj n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2hgj n PRO 7 N 1.99 -2.26 -3.15 -1.09 -0.04 -1.26 -5.05 135.00 124.14 2hgj n PRO 7 Ca -0.13 -0.31 0.04 0.00 -0.04 0.00 0.00 63.50 63.06 2hgj n PRO 7 Cb 0.27 -0.36 -0.00 0.00 -0.04 0.00 0.00 33.50 33.37 2hgj n PRO 7 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2hgj s ASN 8 N -2.18 -1.33 0.13 3.54 3.04 -1.26 -4.99 114.94 111.89 2hgj s ASN 8 Ca 0.14 0.10 -0.26 0.00 0.04 0.00 0.00 52.86 52.88 2hgj s ASN 8 Cb -0.02 1.83 -0.05 0.00 -1.54 0.00 0.00 41.25 41.47 2hgj s ASN 8 CO 0.11 -0.24 1.29 0.54 -3.04 0.00 0.00 177.10 175.76 2hgj n ARG 9 N 5.27 -0.36 0.00 0.43 1.74 -1.26 -0.91 116.66 121.57 2hgj n ARG 9 Ca 0.06 1.26 0.00 0.00 -0.77 0.00 0.00 57.85 58.40 2hgj n ARG 9 Cb 0.55 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2hgj n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgj n ARG 10 N -5.05 0.00 -0.17 5.56 1.74 -1.26 -1.27 116.66 116.21 2hgj n ARG 10 Ca 0.02 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.26 2hgj n ARG 10 Cb 0.22 0.00 0.30 0.00 -1.02 0.00 0.00 32.46 31.96 2hgj n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgj n LYS 11 N 0.00 -0.03 0.26 5.56 3.00 -1.23 0.45 118.16 126.16 2hgj n LYS 11 Ca 0.00 0.75 -0.10 0.00 -0.00 0.00 0.00 58.31 58.95 2hgj n LYS 11 Cb 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 35.03 33.66 2hgj n LYS 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2hgj h ARG 12 N 0.00 -0.64 -0.58 1.64 9.65 -1.11 0.78 114.38 124.12 2hgj h ARG 12 Ca 0.44 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.46 2hgj h ARG 12 Cb 1.15 0.15 -0.11 0.00 -1.39 0.00 0.00 29.97 29.77 2hgj h ARG 12 CO -0.42 -0.43 -0.40 0.00 2.80 0.00 0.00 179.97 181.52 2hgj h ALA 13 N -1.68 -0.23 -2.24 2.80 0.00 0.14 -1.61 119.26 116.43 2hgj h ALA 13 Ca -0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2hgj h ALA 13 Cb 0.51 0.90 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2hgj h ALA 13 CO 0.11 -0.78 0.00 1.63 0.00 0.00 0.00 179.25 180.21 2hgj n LYS 14 N -5.42 0.00 -0.34 0.00 5.02 0.32 -0.22 118.16 117.52 2hgj n LYS 14 Ca 0.02 0.62 0.30 0.00 -2.02 0.00 0.00 58.31 57.23 2hgj n LYS 14 Cb 0.35 -1.13 0.56 0.00 -0.02 0.00 0.00 35.03 34.79 2hgj n LYS 14 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2hgj h THR 15 N 0.00 0.12 -3.49 -0.18 1.35 -0.26 -3.36 112.91 107.09 2hgj h THR 15 Ca 0.00 -0.04 -0.66 0.00 -0.55 0.00 0.00 66.41 65.15 2hgj h THR 15 Cb 0.00 -0.02 -0.27 0.00 -1.73 0.00 0.00 68.15 66.13 2hgj h THR 15 CO 0.00 0.02 -0.69 -1.00 -0.25 0.00 0.00 175.52 173.60 2hgj s HIS 16 N -5.55 3.03 -0.04 4.73 3.76 0.69 -4.88 115.29 117.04 2hgj s HIS 16 Ca -0.09 -0.97 -0.31 0.00 -0.15 0.00 0.00 55.06 53.54 2hgj s HIS 16 Cb 0.32 -2.15 0.11 0.00 1.11 0.00 0.00 32.58 31.98 2hgj s HIS 16 CO 0.79 -0.56 1.13 0.20 -0.85 0.00 0.00 174.74 175.46 2hgj s GLY 17 N 1.48 -0.35 0.21 -2.22 0.00 -1.26 -4.74 107.32 100.44 2hgj s GLY 17 Ca 0.04 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 2hgj s GLY 17 CO -0.01 0.27 1.57 0.74 0.00 0.00 0.00 173.10 175.66 2hgj h PHE 18 N 2.00 -0.95 -0.08 1.90 -1.00 -1.98 0.10 116.94 116.94 2hgj h PHE 18 Ca -0.21 0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.67 2hgj h PHE 18 Cb 1.20 0.53 -0.01 0.00 3.61 0.00 0.00 35.95 41.29 2hgj h PHE 18 CO 0.31 -0.39 -0.06 0.00 -1.61 0.00 0.00 178.31 176.55 2hgj h ARG 19 N -0.07 -0.02 0.00 1.51 -0.00 -1.96 -0.26 114.38 113.57 2hgj h ARG 19 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.79 2hgj h ARG 19 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.56 2hgj h ARG 19 CO -0.85 -0.01 0.00 0.00 0.00 0.00 0.00 179.97 179.11 2hgj n ALA 20 N -2.88 0.00 -0.37 0.04 0.00 0.24 -0.20 120.51 117.34 2hgj n ALA 20 Ca -0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 2hgj n ALA 20 Cb 0.03 0.39 0.56 0.00 0.00 0.00 0.00 19.45 20.44 2hgj n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj h ARG 21 N 0.00 0.25 0.36 0.00 -0.00 -0.85 0.25 114.38 114.40 2hgj h ARG 21 Ca 0.00 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.45 2hgj h ARG 21 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 29.92 2hgj h ARG 21 CO 0.00 0.17 -0.17 1.98 0.00 0.00 0.00 179.97 181.95 2hgj h MET 22 N 0.26 -0.46 0.00 0.04 4.05 0.12 1.45 114.93 120.39 2hgj h MET 22 Ca 0.69 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 60.14 2hgj h MET 22 Cb 1.94 0.11 0.00 0.00 -0.80 0.00 0.00 31.60 32.85 2hgj h MET 22 CO -0.36 -0.18 0.43 0.00 0.23 0.00 0.00 176.91 177.03 2hgj h ARG 23 N -0.73 0.00 -5.12 0.39 3.08 0.12 -3.37 114.38 108.75 2hgj h ARG 23 Ca -0.05 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.37 2hgj h ARG 23 Cb 0.50 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.37 2hgj h ARG 23 CO 0.08 0.00 -0.58 -0.08 -1.07 0.00 0.00 179.97 178.32 2hgj s THR 24 N -4.02 4.64 0.14 2.04 -1.32 -1.11 -4.99 115.64 111.02 2hgj s THR 24 Ca -0.03 -0.07 -0.25 0.00 -1.21 0.00 0.00 61.69 60.13 2hgj s THR 24 Cb 0.07 -3.13 -0.01 0.00 -1.51 0.00 0.00 72.50 67.92 2hgj s THR 24 CO 0.22 0.40 1.62 1.55 -2.21 0.00 0.00 174.62 176.19 2hgj h PRO 25 N 7.42 -0.35 -0.81 7.08 0.13 -1.82 -0.06 132.00 143.58 2hgj h PRO 25 Ca -0.37 0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2hgj h PRO 25 Cb 1.17 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.33 2hgj h PRO 25 CO 0.64 -0.23 0.53 0.78 -0.23 0.00 0.00 178.00 179.49 2hgj h GLY 26 N -0.36 0.94 0.22 1.56 0.00 -1.91 -0.39 103.07 103.13 2hgj h GLY 26 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2hgj h GLY 26 CO -0.36 0.08 -0.12 -1.33 0.00 0.00 0.00 176.54 174.82 2hgj h GLY 27 N 0.56 -0.45 -0.92 4.60 0.00 -1.10 0.42 103.07 106.18 2hgj h GLY 27 Ca 0.40 0.18 0.23 0.00 0.00 0.00 0.00 47.33 48.14 2hgj h GLY 27 CO -0.16 -0.16 -0.05 0.54 0.00 0.00 0.00 176.54 176.72 2hgj n ARG 28 N -2.93 -0.08 0.00 4.80 1.74 0.50 -0.33 116.66 120.36 2hgj n ARG 28 Ca -0.04 1.39 0.00 0.00 -0.77 0.00 0.00 57.85 58.43 2hgj n ARG 28 Cb 0.13 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 2hgj n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgj n LYS 29 N -5.39 0.00 -0.44 5.56 4.01 -0.22 -1.03 118.16 120.64 2hgj n LYS 29 Ca 0.20 0.61 0.36 0.00 -0.51 0.00 0.00 58.31 58.97 2hgj n LYS 29 Cb 0.64 -1.30 0.65 0.00 -0.51 0.00 0.00 35.03 34.51 2hgj n LYS 29 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2hgj h VAL 30 N 0.00 0.18 0.00 -0.18 2.07 0.15 0.12 116.25 118.60 2hgj h VAL 30 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2hgj h VAL 30 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2hgj h VAL 30 CO 0.00 0.02 0.00 0.18 0.02 0.00 0.00 177.57 177.79 2hgj n LEU 31 N -4.61 0.00 -0.38 2.57 4.77 -0.08 -0.82 117.00 118.46 2hgj n LEU 31 Ca 0.36 0.61 -0.01 0.00 -0.03 0.00 0.00 56.01 56.94 2hgj n LEU 31 Cb 1.39 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 42.42 2hgj n LEU 31 CO 0.24 -0.11 0.59 0.11 -1.33 0.00 0.00 177.39 176.89 2hgj h LYS 32 N 0.00 -0.00 0.00 3.23 1.57 0.72 0.11 116.57 122.20 2hgj h LYS 32 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hgj h LYS 32 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hgj h LYS 32 CO 0.00 -0.00 0.00 -2.13 -0.57 0.00 0.00 179.45 176.75 2hgj n ARG 33 N -5.48 0.00 0.00 3.15 0.63 -0.23 -1.07 116.66 113.65 2hgj n ARG 33 Ca 0.11 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2hgj n ARG 33 Cb 0.41 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2hgj n ARG 33 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2hgj n ARG 34 N -2.17 0.00 0.00 -0.14 1.74 -0.00 -0.34 116.66 115.75 2hgj n ARG 34 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 2hgj n ARG 34 Cb 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2hgj n ARG 34 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgj n ARG 35 N -0.59 0.00 0.03 5.56 1.74 0.21 -0.25 116.66 123.35 2hgj n ARG 35 Ca 0.00 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.12 2hgj n ARG 35 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 2hgj n ARG 35 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2hgj n GLN 36 N -1.30 0.63 -0.21 5.56 3.00 -0.24 -0.88 117.38 123.95 2hgj n GLN 36 Ca 0.00 0.11 -0.09 0.00 -0.01 0.00 0.00 57.00 57.01 2hgj n GLN 36 Cb 0.00 -1.74 0.02 0.00 0.00 0.00 0.00 30.24 28.52 2hgj n GLN 36 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2hgj h LYS 37 N 0.00 1.00 0.00 -1.09 1.57 0.24 -3.35 116.57 114.94 2hgj h LYS 37 Ca -0.14 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2hgj h LYS 37 Cb 1.41 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2hgj h LYS 37 CO 0.03 0.96 -0.01 0.41 -0.57 0.00 0.00 179.45 180.26 2hgj n GLY 38 N -0.50 0.95 5.73 3.86 0.00 0.04 -5.04 105.19 110.23 2hgj n GLY 38 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2hgj n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgj n ARG 39 N -0.36 0.00 0.00 1.61 1.74 -0.06 -4.95 116.66 114.65 2hgj n ARG 39 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2hgj n ARG 39 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.81 2hgj n ARG 39 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2hgj n TRP 40 N 9.82 0.00 0.00 -1.55 7.02 -1.26 -4.16 117.44 127.31 2hgj n TRP 40 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 2hgj n TRP 40 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 2hgj n TRP 40 CO 0.00 0.00 0.00 2.89 -2.02 0.00 0.00 177.69 178.56 2hgj n ARG 41 N 0.00 0.00 -3.36 -0.99 1.85 -1.26 -5.10 116.66 107.79 2hgj n ARG 41 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2hgj n ARG 41 Cb 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.33 2hgj n ARG 41 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2hgj s LEU 42 N 0.00 -0.56 0.49 2.89 1.43 -1.26 -4.51 118.68 117.16 2hgj s LEU 42 Ca 0.00 -0.03 0.21 0.00 -1.03 0.00 0.00 54.13 53.28 2hgj s LEU 42 Cb 0.00 0.97 1.26 0.00 0.03 0.00 0.00 46.19 48.45 2hgj s LEU 42 CO 0.00 -0.32 1.98 0.74 0.23 0.00 0.00 176.35 178.98 2hgj h THR 43 N 6.20 0.78 0.00 5.49 2.02 -2.00 1.63 112.91 127.03 2hgj h THR 43 Ca -0.17 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2hgj h THR 43 Cb 1.14 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2hgj h THR 43 CO 0.28 0.03 0.26 1.55 0.37 0.00 0.00 175.52 178.01 2hgj h PRO 44 N 0.16 0.00 0.02 6.66 0.13 -1.94 3.48 132.00 140.51 2hgj h PRO 44 Ca 0.28 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.02 2hgj h PRO 44 Cb 0.87 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.94 2hgj h PRO 44 CO -0.04 0.00 -2.39 0.00 -0.23 0.00 0.00 178.00 175.34 2hgj n ALA 45 N -1.71 1.37 -0.17 -0.56 0.00 0.53 -4.18 120.51 115.80 2hgj n ALA 45 Ca -0.01 -1.06 0.14 0.00 0.00 0.00 0.00 53.44 52.51 2hgj n ALA 45 Cb 0.29 -0.20 0.26 0.00 0.00 0.00 0.00 19.45 19.80 2hgj n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgj n VAL 46 N -3.23 -0.21 -0.68 0.00 0.31 1.15 -4.52 118.33 111.14 2hgj n VAL 46 Ca -0.42 1.06 -0.27 0.00 -0.01 0.00 0.00 64.34 64.71 2hgj n VAL 46 Cb 1.02 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.23 2hgj n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgj n ARG 47 N -4.28 0.00 0.00 5.55 0.63 -0.78 -4.94 116.66 112.84 2hgj n ARG 47 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 2hgj n ARG 47 Cb 0.59 -0.64 0.00 0.00 0.45 0.00 0.00 32.46 32.86 2hgj n ARG 47 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2hgj n LYS 48 N 1.04 0.00 -0.87 -0.14 3.00 -1.26 -5.12 118.16 114.80 2hgj n LYS 48 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.41 2hgj n LYS 48 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 2hgj n LYS 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94