#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2u n VAL 2 N 0.00 0.42 -0.12 2.62 0.31 -1.26 -4.14 118.33 116.17 1u2u n VAL 2 Ca 0.00 0.42 0.26 0.00 -0.01 0.00 0.00 64.34 65.01 1u2u n VAL 2 Cb 0.00 -1.77 0.72 0.00 -0.91 0.00 0.00 33.84 31.88 1u2u n VAL 2 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u2u h ALA 3 N -1.70 2.72 0.00 3.52 0.00 -2.05 0.49 119.26 122.24 1u2u h ALA 3 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1u2u h ALA 3 Cb 0.15 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1u2u h ALA 3 CO 0.00 -0.96 -0.05 0.37 0.00 0.00 0.00 179.25 178.61 1u2u h GLN 4 N 0.00 0.00 0.01 0.00 5.75 -2.00 -1.95 115.11 116.92 1u2u h GLN 4 Ca 0.37 0.00 -0.40 0.00 -0.15 0.00 0.00 58.65 58.46 1u2u h GLN 4 Cb 1.50 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 29.98 1u2u h GLN 4 CO -0.00 0.05 -2.45 1.28 -2.65 0.00 0.00 178.83 175.06 1u2u n LEU 5 N -3.37 2.73 -0.18 -2.39 4.77 0.16 -3.65 117.00 115.07 1u2u n LEU 5 Ca -0.02 -0.01 -0.04 0.00 -0.03 0.00 0.00 56.01 55.91 1u2u n LEU 5 Cb 0.19 -0.91 0.06 0.00 -2.33 0.00 0.00 43.42 40.43 1u2u n LEU 5 CO 0.26 0.85 1.04 -0.33 -1.33 0.00 0.00 177.39 177.88 1u2u h GLU 6 N -0.22 0.53 -0.01 3.23 5.08 -1.19 -2.09 114.58 119.91 1u2u h GLU 6 Ca -0.59 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 57.58 1u2u h GLU 6 Cb 1.84 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1u2u h GLU 6 CO -0.15 0.35 -0.71 0.87 -1.00 0.00 0.00 179.01 178.37 1u2u h LYS 7 N 0.55 0.08 -0.02 2.33 1.79 -1.58 -3.03 116.57 116.69 1u2u h LYS 7 Ca 0.24 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1u2u h LYS 7 Cb 0.13 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1u2u h LYS 7 CO -0.16 0.76 0.03 1.49 -1.08 0.00 0.00 179.45 180.49 1u2u h GLU 8 N 0.05 0.00 0.07 3.15 4.81 -1.45 -1.58 114.58 119.64 1u2u h GLU 8 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1u2u h GLU 8 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1u2u h GLU 8 CO 0.10 0.00 -0.03 0.28 -0.73 0.00 0.00 179.01 178.62 1u2u h VAL 9 N 0.00 0.08 -0.40 0.32 2.07 -1.37 -3.20 116.25 113.76 1u2u h VAL 9 Ca 0.01 -0.98 0.12 0.00 0.82 0.00 0.00 66.70 66.66 1u2u h VAL 9 Cb 0.07 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1u2u h VAL 9 CO -0.00 0.03 0.44 0.00 0.02 0.00 0.00 177.57 178.06 1u2u h ALA 10 N -0.98 2.10 -0.42 1.67 0.00 -1.56 0.92 119.26 120.99 1u2u h ALA 10 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1u2u h ALA 10 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u2u h ALA 10 CO 0.02 -0.65 -0.23 0.37 0.00 0.00 0.00 179.25 178.76 1u2u h GLN 11 N 0.00 0.89 0.09 0.00 5.75 -1.36 -3.01 115.11 117.46 1u2u h GLN 11 Ca 0.19 -0.40 -0.36 0.00 -0.15 0.00 0.00 58.65 57.93 1u2u h GLN 11 Cb 1.07 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 1u2u h GLN 11 CO -0.00 1.05 -2.04 1.28 -2.65 0.00 0.00 178.83 176.47 1u2u n LEU 12 N -4.18 2.35 0.18 -2.39 4.77 0.40 -3.55 117.00 114.58 1u2u n LEU 12 Ca -0.01 0.18 0.18 0.00 -0.03 0.00 0.00 56.01 56.33 1u2u n LEU 12 Cb 0.45 -0.85 0.80 0.00 -2.33 0.00 0.00 43.42 41.50 1u2u n LEU 12 CO 0.46 0.79 1.16 -0.33 -1.33 0.00 0.00 177.39 178.14 1u2u h GLU 13 N 0.05 0.00 0.09 3.23 5.08 0.62 1.54 114.58 125.19 1u2u h GLU 13 Ca -0.43 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.59 1u2u h GLU 13 Cb 2.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 1u2u h GLU 13 CO 0.06 0.00 -1.90 0.00 -1.00 0.00 0.00 179.01 176.17 1u2u n ALA 14 N -2.25 1.06 -0.07 3.43 0.00 -1.14 -3.83 120.51 117.71 1u2u n ALA 14 Ca 0.03 -0.63 -0.11 0.00 0.00 0.00 0.00 53.44 52.74 1u2u n ALA 14 Cb 0.46 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 1u2u n ALA 14 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1u2u h GLU 15 N 0.05 0.00 -1.11 0.00 4.57 -1.16 -2.85 114.58 114.08 1u2u h GLU 15 Ca -0.38 0.00 0.31 0.00 -1.18 0.00 0.00 59.36 58.11 1u2u h GLU 15 Cb 2.03 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 30.55 1u2u h GLU 15 CO 0.09 0.55 0.76 -0.97 -1.18 0.00 0.00 179.01 178.26 1u2u h ASN 16 N -1.00 0.21 0.16 1.04 -1.24 0.19 0.62 115.58 115.55 1u2u h ASN 16 Ca -0.09 0.04 -0.24 0.00 0.71 0.00 0.00 56.30 56.72 1u2u h ASN 16 Cb 0.73 0.01 0.02 0.00 0.73 0.00 0.00 38.32 39.81 1u2u h ASN 16 CO -0.05 0.03 -1.10 0.22 -1.29 0.00 0.00 177.43 175.23 1u2u h TYR 17 N 0.18 0.62 -0.17 0.67 5.03 -1.67 -2.16 116.97 119.48 1u2u h TYR 17 Ca 0.58 -0.45 0.05 0.00 2.58 0.00 0.00 58.73 61.48 1u2u h TYR 17 Cb 1.91 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 40.16 1u2u h TYR 17 CO -0.00 1.42 0.13 1.96 -1.32 0.00 0.00 178.16 180.35 1u2u h GLN 18 N -0.24 0.00 0.06 1.82 4.20 -0.68 -2.73 115.11 117.55 1u2u h GLN 18 Ca -0.21 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.22 1u2u h GLN 18 Cb 1.79 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.55 1u2u h GLN 18 CO 0.16 0.00 -1.53 -0.07 -0.67 0.00 0.00 178.83 176.72 1u2u h LEU 19 N 0.00 0.21 -1.86 1.46 3.38 -1.28 -3.19 115.31 114.03 1u2u h LEU 19 Ca 0.08 -0.73 0.29 0.00 0.09 0.00 0.00 57.88 57.61 1u2u h LEU 19 Cb 0.33 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1u2u h LEU 19 CO -0.00 1.64 0.82 -0.08 0.09 0.00 0.00 178.44 180.91 1u2u h GLU 20 N -0.51 0.00 0.00 1.13 4.81 -1.09 1.27 114.58 120.19 1u2u h GLU 20 Ca -0.37 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.56 1u2u h GLU 20 Cb 1.63 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.96 1u2u h GLU 20 CO -0.06 0.00 -1.79 0.94 -0.73 0.00 0.00 179.01 177.37 1u2u n GLN 21 N -3.92 0.64 0.14 1.92 0.00 -1.06 -3.07 117.38 112.03 1u2u n GLN 21 Ca 0.21 0.27 0.06 0.00 -0.00 0.00 0.00 57.00 57.54 1u2u n GLN 21 Cb 1.15 -1.76 0.04 0.00 0.00 0.00 0.00 30.24 29.67 1u2u n GLN 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1u2u h GLU 22 N 0.00 0.00 0.01 3.69 4.81 -0.01 -3.31 114.58 119.77 1u2u h GLU 22 Ca -0.32 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.64 1u2u h GLU 22 Cb 2.04 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.38 1u2u h GLU 22 CO 0.07 0.24 -1.50 0.28 -0.73 0.00 0.00 179.01 177.37 1u2u h VAL 23 N 0.00 1.11 -0.00 0.32 2.07 0.12 -3.13 116.25 116.74 1u2u h VAL 23 Ca -0.03 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.58 1u2u h VAL 23 Cb 1.25 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1u2u h VAL 23 CO 0.03 0.66 0.00 0.00 0.02 0.00 0.00 177.57 178.29 1u2u h ALA 24 N 0.94 1.95 0.12 1.67 0.00 -1.63 -2.21 119.26 120.09 1u2u h ALA 24 Ca -0.21 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.35 1u2u h ALA 24 Cb 1.94 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1u2u h ALA 24 CO 0.10 -0.00 -1.94 1.96 0.00 0.00 0.00 179.25 179.36 1u2u h GLN 25 N 0.00 0.25 0.22 0.00 1.08 -1.69 -3.36 115.11 111.61 1u2u h GLN 25 Ca 0.00 -0.42 -0.01 0.00 -1.45 0.00 0.00 58.65 56.77 1u2u h GLN 25 Cb 0.01 0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1u2u h GLN 25 CO -0.00 1.15 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.81 1u2u h LEU 26 N 0.07 -0.37 -5.30 1.46 3.38 -1.41 -3.15 115.31 109.98 1u2u h LEU 26 Ca -0.40 0.02 -0.67 0.00 0.09 0.00 0.00 57.88 56.92 1u2u h LEU 26 Cb 2.04 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 42.80 1u2u h LEU 26 CO 0.10 -0.22 2.26 -1.84 0.09 0.00 0.00 178.44 178.83 1u2u n GLU 27 N -3.13 4.02 -0.02 1.13 0.28 -0.86 -4.63 120.64 117.42 1u2u n GLU 27 Ca -0.04 -2.97 -0.00 0.00 -0.16 0.00 0.00 57.16 53.99 1u2u n GLU 27 Cb 0.14 -2.56 -0.00 0.00 1.43 0.00 0.00 31.44 30.45 1u2u n GLU 27 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1u2u h HIS 28 N 4.37 -0.00 0.03 -1.84 2.76 -1.69 -3.40 115.15 115.38 1u2u h HIS 28 Ca 0.67 -0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.60 1u2u h HIS 28 Cb 0.41 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.35 1u2u h HIS 28 CO 1.65 -0.00 -1.17 0.93 -1.30 0.00 0.00 177.93 178.04 1u2u h GLU 29 N -0.40 0.06 0.00 5.26 4.39 -1.87 -3.52 114.58 118.51 1u2u h GLU 29 Ca -0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1u2u h GLU 29 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1u2u h GLU 29 CO 0.00 0.98 0.00 0.41 -1.16 0.00 0.00 179.01 179.24