#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he4 s THR 2 N 0.00 2.23 0.36 -0.44 2.01 -1.26 -4.81 115.64 113.73 3he4 s THR 2 Ca 0.00 0.21 0.07 0.00 0.31 0.00 0.00 61.69 62.28 3he4 s THR 2 Cb 0.00 -3.13 0.30 0.00 0.01 0.00 0.00 72.50 69.68 3he4 s THR 2 CO 0.00 0.04 1.93 0.58 -0.69 0.00 0.00 174.62 176.48 3he4 h VAL 3 N 3.21 0.97 -0.28 3.82 2.07 -2.06 -0.12 116.25 123.85 3he4 h VAL 3 Ca -0.49 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3he4 h VAL 3 Cb 1.23 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3he4 h VAL 3 CO 0.71 0.13 0.02 0.50 0.02 0.00 0.00 177.57 178.96 3he4 h LYS 4 N 0.74 0.48 -0.17 1.57 3.64 -2.01 -2.83 116.57 117.99 3he4 h LYS 4 Ca 0.35 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3he4 h LYS 4 Cb 0.40 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3he4 h LYS 4 CO -0.13 0.62 0.07 0.93 -2.27 0.00 0.00 179.45 178.66 3he4 h GLU 5 N 0.28 0.15 -0.64 1.90 5.08 -1.60 -2.95 114.58 116.80 3he4 h GLU 5 Ca 0.08 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3he4 h GLU 5 Cb 0.39 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 3he4 h GLU 5 CO 0.01 0.10 0.34 -0.07 -1.00 0.00 0.00 179.01 178.38 3he4 h LEU 6 N 0.15 0.47 -1.08 1.33 3.38 -1.06 -1.98 115.31 116.53 3he4 h LEU 6 Ca 0.07 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3he4 h LEU 6 Cb 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3he4 h LEU 6 CO -0.06 0.30 -0.43 0.11 0.09 0.00 0.00 178.44 178.45 3he4 h LYS 7 N 0.61 0.06 -0.20 1.13 1.57 -1.42 0.18 116.57 118.50 3he4 h LYS 7 Ca 0.30 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3he4 h LYS 7 Cb 0.23 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3he4 h LYS 7 CO -0.20 0.48 -0.11 -0.91 -0.57 0.00 0.00 179.45 178.14 3he4 h ASN 8 N 0.05 0.44 -0.55 0.86 4.21 -1.30 -1.45 115.58 117.83 3he4 h ASN 8 Ca 0.00 -0.42 -0.08 0.00 1.21 0.00 0.00 56.30 57.01 3he4 h ASN 8 Cb 0.79 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.84 3he4 h ASN 8 CO 0.06 0.76 0.05 0.22 -1.29 0.00 0.00 177.43 177.22 3he4 h TYR 9 N 0.11 1.04 -0.61 1.19 3.20 -1.17 -2.17 116.97 118.56 3he4 h TYR 9 Ca 0.04 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 3he4 h TYR 9 Cb 0.60 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3he4 h TYR 9 CO 0.07 0.91 0.35 0.82 -1.64 0.00 0.00 178.16 178.66 3he4 h ILE 10 N 0.90 1.19 -0.78 1.81 2.04 -0.91 0.15 117.51 121.91 3he4 h ILE 10 Ca 0.17 -0.46 0.13 0.00 1.00 0.00 0.00 64.86 65.71 3he4 h ILE 10 Cb 0.47 0.39 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 3he4 h ILE 10 CO 0.02 0.20 0.36 -0.61 0.00 0.00 0.00 178.15 178.12 3he4 h GLN 11 N 0.82 0.53 -0.27 2.37 5.75 -0.85 -0.38 115.11 123.09 3he4 h GLN 11 Ca 0.21 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.59 3he4 h GLN 11 Cb 0.02 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3he4 h GLN 11 CO -0.04 0.35 -0.20 0.93 -2.65 0.00 0.00 178.83 177.22 3he4 h GLU 12 N 0.55 0.61 -0.91 1.69 5.08 -0.72 -2.59 114.58 118.29 3he4 h GLU 12 Ca 0.42 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3he4 h GLU 12 Cb 0.57 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3he4 h GLU 12 CO -0.36 0.89 0.60 -0.07 -1.00 0.00 0.00 179.01 179.07 3he4 h LEU 13 N 0.34 1.01 -0.80 1.33 3.38 -0.07 -1.25 115.31 119.25 3he4 h LEU 13 Ca 0.05 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3he4 h LEU 13 Cb 0.75 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3he4 h LEU 13 CO 0.05 0.71 -0.48 -0.33 0.09 0.00 0.00 178.44 178.49 3he4 h GLU 14 N 1.19 0.00 -0.07 1.13 5.08 -1.09 -0.50 114.58 120.32 3he4 h GLU 14 Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3he4 h GLU 14 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3he4 h GLU 14 CO -0.10 0.48 -0.02 0.93 -1.00 0.00 0.00 179.01 179.30 3he4 h GLU 15 N 0.00 0.14 -0.36 2.33 5.08 -0.96 -1.92 114.58 118.90 3he4 h GLU 15 Ca -0.00 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3he4 h GLU 15 Cb 1.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3he4 h GLU 15 CO 0.06 0.49 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.37 3he4 h ARG 16 N -0.21 0.62 -0.58 2.33 2.43 -1.17 -1.13 114.38 116.67 3he4 h ARG 16 Ca 0.02 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3he4 h ARG 16 Cb 0.44 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 3he4 h ARG 16 CO 0.01 0.72 0.32 -0.97 -1.51 0.00 0.00 179.97 178.53 3he4 h ASN 17 N 0.57 0.47 -0.39 -3.80 -0.73 -1.04 0.41 115.58 111.07 3he4 h ASN 17 Ca 0.10 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.30 3he4 h ASN 17 Cb 0.52 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3he4 h ASN 17 CO 0.03 0.32 0.24 0.00 -0.37 0.00 0.00 177.43 177.65 3he4 h ALA 18 N 1.30 0.50 -0.26 1.57 0.00 -0.80 -0.90 119.26 120.67 3he4 h ALA 18 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3he4 h ALA 18 Cb 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3he4 h ALA 18 CO -0.16 -0.01 0.15 0.93 0.00 0.00 0.00 179.25 180.17 3he4 h GLU 19 N 0.52 0.35 -0.16 0.00 5.08 -0.62 -2.13 114.58 117.62 3he4 h GLU 19 Ca 0.14 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3he4 h GLU 19 Cb -0.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3he4 h GLU 19 CO -0.03 0.28 0.07 -0.07 -1.00 0.00 0.00 179.01 178.26 3he4 h LEU 20 N 0.32 0.22 -0.79 1.33 3.38 -0.05 -1.29 115.31 118.44 3he4 h LEU 20 Ca 0.09 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3he4 h LEU 20 Cb 0.02 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 3he4 h LEU 20 CO -0.02 0.32 0.46 0.11 0.09 0.00 0.00 178.44 179.40 3he4 h LYS 21 N 0.11 0.81 0.70 1.13 1.57 -1.13 0.15 116.57 119.90 3he4 h LYS 21 Ca 0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3he4 h LYS 21 Cb 0.16 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3he4 h LYS 21 CO -0.00 0.53 -0.35 -0.91 -0.57 0.00 0.00 179.45 178.15 3he4 h ASN 22 N 0.83 -0.84 -0.52 0.86 4.21 -1.19 -1.40 115.58 117.54 3he4 h ASN 22 Ca 0.36 0.03 0.10 0.00 1.21 0.00 0.00 56.30 58.00 3he4 h ASN 22 Cb 0.23 0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 37.57 3he4 h ASN 22 CO -0.20 -0.58 0.06 0.25 -1.29 0.00 0.00 177.43 175.67 3he4 h LEU 23 N -0.95 -0.09 -0.68 1.61 5.85 -0.97 -0.92 115.31 119.15 3he4 h LEU 23 Ca -0.09 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3he4 h LEU 23 Cb 0.74 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3he4 h LEU 23 CO 0.15 -0.02 0.36 0.50 -0.34 0.00 0.00 178.44 179.09 3he4 h LYS 24 N 0.19 0.63 -0.40 1.25 3.64 -0.59 -0.70 116.57 120.59 3he4 h LYS 24 Ca 0.27 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.48 3he4 h LYS 24 Cb 0.39 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3he4 h LYS 24 CO -0.39 0.42 -0.25 1.49 -2.27 0.00 0.00 179.45 178.45 3he4 h GLU 25 N 0.65 0.83 0.24 1.90 4.81 -0.50 -0.42 114.58 122.11 3he4 h GLU 25 Ca 0.32 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3he4 h GLU 25 Cb 0.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3he4 h GLU 25 CO -0.21 0.99 -0.12 1.25 -0.73 0.00 0.00 179.01 180.19 3he4 h HIS 26 N 0.72 -0.30 -0.29 0.92 2.76 -0.66 -1.67 115.15 116.62 3he4 h HIS 26 Ca 0.09 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3he4 h HIS 26 Cb 0.79 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 3he4 h HIS 26 CO 0.04 -0.14 0.15 -0.07 -1.30 0.00 0.00 177.93 176.61 3he4 h LEU 27 N -0.39 0.35 0.18 0.26 3.38 -1.06 -1.19 115.31 116.84 3he4 h LEU 27 Ca -0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3he4 h LEU 27 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3he4 h LEU 27 CO 0.05 0.30 -0.09 0.50 0.09 0.00 0.00 178.44 179.29 3he4 h LYS 28 N 0.40 -0.24 -0.23 1.13 3.64 -0.72 0.12 116.57 120.68 3he4 h LYS 28 Ca 0.10 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3he4 h LYS 28 Cb 0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3he4 h LYS 28 CO -0.02 -0.12 0.12 0.74 -2.27 0.00 0.00 179.45 177.90 3he4 h PHE 29 N -0.29 0.32 -0.69 1.91 0.04 -0.89 -1.88 116.94 115.46 3he4 h PHE 29 Ca -0.02 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.84 3he4 h PHE 29 Cb 0.22 -0.10 -0.08 0.00 2.20 0.00 0.00 35.95 38.20 3he4 h PHE 29 CO -0.05 0.30 0.30 0.00 -0.60 0.00 0.00 178.31 178.26 3he4 h ALA 30 N 0.99 0.93 -0.38 2.45 0.00 -1.12 -0.74 119.26 121.40 3he4 h ALA 30 Ca 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3he4 h ALA 30 Cb 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3he4 h ALA 30 CO -0.01 -0.13 0.21 -0.22 0.00 0.00 0.00 179.25 179.10 3he4 h LYS 31 N 0.50 0.52 -0.90 0.00 3.64 -0.73 -2.36 116.57 117.24 3he4 h LYS 31 Ca 0.35 -0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 3he4 h LYS 31 Cb 0.43 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.08 3he4 h LYS 31 CO -0.31 0.42 0.55 0.00 -2.27 0.00 0.00 179.45 177.83 3he4 h ALA 32 N 1.08 1.28 -0.34 5.00 0.00 -0.46 0.39 119.26 126.20 3he4 h ALA 32 Ca 0.13 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3he4 h ALA 32 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3he4 h ALA 32 CO -0.02 0.23 -0.15 0.93 0.00 0.00 0.00 179.25 180.23 3he4 h GLU 33 N 0.94 0.62 -0.20 0.00 5.08 -0.89 -0.93 114.58 119.19 3he4 h GLU 33 Ca 0.42 -0.20 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 3he4 h GLU 33 Cb 0.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3he4 h GLU 33 CO -0.22 0.75 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.10 3he4 h LEU 34 N 0.56 0.68 -1.60 1.33 3.38 -0.89 -1.55 115.31 117.22 3he4 h LEU 34 Ca 0.09 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3he4 h LEU 34 Cb 0.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3he4 h LEU 34 CO 0.04 1.09 0.16 -0.33 0.09 0.00 0.00 178.44 179.49 3he4 h GLU 35 N 0.29 0.43 0.01 1.13 5.08 -0.67 -0.16 114.58 120.68 3he4 h GLU 35 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3he4 h GLU 35 Cb 0.96 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3he4 h GLU 35 CO 0.08 0.32 -0.00 0.35 -1.00 0.00 0.00 179.01 178.76 3he4 h PHE 36 N 0.43 -0.01 -1.00 4.33 3.57 -1.12 -1.11 116.94 122.04 3he4 h PHE 36 Ca 0.11 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.74 3he4 h PHE 36 Cb 0.03 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.69 3he4 h PHE 36 CO 0.00 0.69 0.63 1.49 -2.23 0.00 0.00 178.31 178.89 3he4 h GLU 37 N -0.73 0.92 -0.35 1.11 4.81 -0.89 0.32 114.58 119.77 3he4 h GLU 37 Ca -0.00 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3he4 h GLU 37 Cb 0.71 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3he4 h GLU 37 CO 0.00 0.61 -0.24 1.25 -0.73 0.00 0.00 179.01 179.90 3he4 h LEU 38 N 0.95 0.81 -0.76 1.64 5.85 -1.05 -3.03 115.31 119.72 3he4 h LEU 38 Ca 0.51 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 3he4 h LEU 38 Cb 0.56 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3he4 h LEU 38 CO -0.28 1.07 0.20 0.00 -0.34 0.00 0.00 178.44 179.09 3he4 h ALA 39 N 0.76 0.98 -0.54 1.25 0.00 0.03 -3.02 119.26 118.73 3he4 h ALA 39 Ca 0.07 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 54.90 3he4 h ALA 39 Cb 0.80 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3he4 h ALA 39 CO 0.06 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.37 3he4 h ALA 40 N 1.12 2.50 -0.95 0.00 0.00 -0.29 -2.05 119.26 119.59 3he4 h ALA 40 Ca 0.23 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.21 3he4 h ALA 40 Cb 0.34 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3he4 h ALA 40 CO -0.00 -0.67 0.61 0.45 0.00 0.00 0.00 179.25 179.64 3he4 h HIS 41 N 0.00 1.08 -3.42 0.00 -0.00 -1.57 -3.39 115.15 107.85 3he4 h HIS 41 Ca 0.26 0.03 -0.41 0.00 -0.00 0.00 0.00 60.37 60.25 3he4 h HIS 41 Cb 1.04 -0.35 0.20 0.00 -0.00 0.00 0.00 27.41 28.30 3he4 h HIS 41 CO 0.00 0.50 0.09 0.15 -0.00 0.00 0.00 177.93 178.67 3he4 s LYS 42 N -5.91 -1.57 0.17 2.45 1.02 -0.77 -4.92 119.74 110.21 3he4 s LYS 42 Ca -0.12 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 55.80 3he4 s LYS 42 Cb 0.21 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 3he4 s LYS 42 CO 0.80 -3.94 0.00 1.19 -0.92 0.00 0.00 175.35 172.49 3he4 n PHE 43 N -4.92 -1.21 -1.66 3.18 3.72 -1.26 -5.04 117.46 110.28 3he4 n PHE 43 Ca 0.14 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.18 3he4 n PHE 43 Cb 0.60 -1.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 3he4 n PHE 43 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10