#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 1.48 0.35 -0.44 2.01 -1.26 -5.04 115.64 112.73 3he4 s THR 2 Ca 0.00 -0.81 0.07 0.00 0.31 0.00 0.00 61.69 61.26 3he4 s THR 2 Cb 0.00 -1.23 0.31 0.00 0.01 0.00 0.00 72.50 71.59 3he4 s THR 2 CO 0.00 0.41 1.90 0.58 -0.69 0.00 0.00 174.62 176.81 3he4 h VAL 3 N 4.66 0.91 -0.31 3.82 2.07 -2.06 -0.06 116.25 125.28 3he4 h VAL 3 Ca -0.38 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3he4 h VAL 3 Cb 1.15 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3he4 h VAL 3 CO 0.48 0.14 0.04 0.50 0.02 0.00 0.00 177.57 178.74 3he4 h LYS 4 N 0.75 0.52 -0.22 1.57 3.64 -2.00 -2.77 116.57 118.06 3he4 h LYS 4 Ca 0.41 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.65 3he4 h LYS 4 Cb 0.54 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3he4 h LYS 4 CO -0.17 0.63 0.12 0.93 -2.27 0.00 0.00 179.45 178.69 3he4 h GLU 5 N 0.34 0.25 -0.57 1.90 5.08 -1.62 -2.96 114.58 116.99 3he4 h GLU 5 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3he4 h GLU 5 Cb 0.37 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 3he4 h GLU 5 CO 0.01 0.17 0.32 -0.07 -1.00 0.00 0.00 179.01 178.44 3he4 h LEU 6 N 0.26 0.50 -1.28 1.33 3.38 -1.03 -2.10 115.31 116.37 3he4 h LEU 6 Ca 0.09 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3he4 h LEU 6 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3he4 h LEU 6 CO -0.04 0.34 -0.31 0.11 0.09 0.00 0.00 178.44 178.63 3he4 h LYS 7 N 0.63 0.09 -0.28 1.13 1.57 -1.43 0.28 116.57 118.56 3he4 h LYS 7 Ca 0.24 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3he4 h LYS 7 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3he4 h LYS 7 CO -0.13 0.39 -0.27 -0.91 -0.57 0.00 0.00 179.45 177.96 3he4 h ASN 8 N 0.08 0.73 -0.34 0.86 2.35 -1.31 -1.54 115.58 116.41 3he4 h ASN 8 Ca 0.01 -0.47 -0.13 0.00 -0.55 0.00 0.00 56.30 55.16 3he4 h ASN 8 Cb 0.59 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3he4 h ASN 8 CO 0.04 1.05 -0.26 0.22 -1.65 0.00 0.00 177.43 176.83 3he4 h TYR 9 N 0.42 0.98 -0.63 1.19 3.20 -1.15 -1.99 116.97 118.99 3he4 h TYR 9 Ca 0.05 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3he4 h TYR 9 Cb 0.84 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3he4 h TYR 9 CO 0.07 1.01 0.35 0.82 -1.64 0.00 0.00 178.16 178.78 3he4 h ILE 10 N 0.73 1.20 -0.75 1.81 2.04 -0.89 0.13 117.51 121.78 3he4 h ILE 10 Ca 0.09 -0.48 0.12 0.00 1.00 0.00 0.00 64.86 65.59 3he4 h ILE 10 Cb 0.81 0.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 3he4 h ILE 10 CO 0.07 0.21 0.34 -0.61 0.00 0.00 0.00 178.15 178.16 3he4 h GLN 11 N 0.86 0.52 -0.28 2.37 5.75 -0.84 -0.51 115.11 122.98 3he4 h GLN 11 Ca 0.22 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 3he4 h GLN 11 Cb 0.02 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 3he4 h GLN 11 CO -0.04 0.34 -0.12 0.93 -2.65 0.00 0.00 178.83 177.29 3he4 h GLU 12 N 0.53 0.57 -0.99 1.69 5.08 -0.57 -2.55 114.58 118.34 3he4 h GLU 12 Ca 0.39 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3he4 h GLU 12 Cb 0.52 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3he4 h GLU 12 CO -0.34 0.81 0.65 -0.07 -1.00 0.00 0.00 179.01 179.05 3he4 h LEU 13 N 0.31 1.10 -0.77 1.33 3.38 -0.16 -1.00 115.31 119.50 3he4 h LEU 13 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3he4 h LEU 13 Cb 0.63 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3he4 h LEU 13 CO 0.04 0.77 -0.48 -0.33 0.09 0.00 0.00 178.44 178.52 3he4 h GLU 14 N 1.28 0.00 -0.09 1.13 5.08 -1.09 -0.52 114.58 120.37 3he4 h GLU 14 Ca 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 3he4 h GLU 14 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 3he4 h GLU 14 CO -0.11 0.48 -0.06 0.93 -1.00 0.00 0.00 179.01 179.26 3he4 h GLU 15 N 0.00 0.20 -0.31 2.33 5.08 -0.91 -1.90 114.58 119.08 3he4 h GLU 15 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3he4 h GLU 15 Cb 1.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3he4 h GLU 15 CO 0.06 0.58 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.41 3he4 h ARG 16 N -0.19 0.54 -0.59 2.33 2.43 -1.13 -1.28 114.38 116.49 3he4 h ARG 16 Ca 0.02 -0.17 0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3he4 h ARG 16 Cb 0.53 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 3he4 h ARG 16 CO 0.02 0.68 0.34 -0.97 -1.51 0.00 0.00 179.97 178.52 3he4 h ASN 17 N 0.49 0.52 -0.36 -3.80 -0.73 -1.03 0.34 115.58 111.01 3he4 h ASN 17 Ca 0.09 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.27 3he4 h ASN 17 Cb 0.55 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 3he4 h ASN 17 CO 0.04 0.36 0.21 0.00 -0.37 0.00 0.00 177.43 177.67 3he4 h ALA 18 N 1.28 0.46 -0.16 1.57 0.00 -0.80 -0.99 119.26 120.63 3he4 h ALA 18 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3he4 h ALA 18 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3he4 h ALA 18 CO -0.13 -0.03 0.11 0.93 0.00 0.00 0.00 179.25 180.12 3he4 h GLU 19 N 0.47 0.21 -0.10 0.00 5.08 -0.76 -1.94 114.58 117.55 3he4 h GLU 19 Ca 0.13 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3he4 h GLU 19 Cb 0.02 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3he4 h GLU 19 CO -0.02 0.14 0.05 -0.07 -1.00 0.00 0.00 179.01 178.10 3he4 h LEU 20 N 0.22 0.12 -0.88 1.33 3.38 -0.20 -0.84 115.31 118.44 3he4 h LEU 20 Ca 0.06 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.00 3he4 h LEU 20 Cb -0.02 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3he4 h LEU 20 CO -0.01 0.20 0.54 0.11 0.09 0.00 0.00 178.44 179.36 3he4 h LYS 21 N 0.04 0.92 0.64 1.13 1.57 -1.15 0.21 116.57 119.93 3he4 h LYS 21 Ca 0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3he4 h LYS 21 Cb 0.11 -0.21 0.01 0.00 0.08 0.00 0.00 32.23 32.22 3he4 h LYS 21 CO -0.00 0.61 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.27 3he4 h ASN 22 N 0.95 -0.73 -0.53 0.86 4.21 -1.08 -1.62 115.58 117.64 3he4 h ASN 22 Ca 0.40 0.01 0.09 0.00 1.21 0.00 0.00 56.30 58.01 3he4 h ASN 22 Cb 0.25 0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.57 3he4 h ASN 22 CO -0.20 -0.50 0.13 0.25 -1.29 0.00 0.00 177.43 175.82 3he4 h LEU 23 N -0.89 0.04 -0.69 1.61 5.85 -0.80 -0.93 115.31 119.50 3he4 h LEU 23 Ca -0.09 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3he4 h LEU 23 Cb 0.67 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3he4 h LEU 23 CO 0.14 0.04 0.37 0.50 -0.34 0.00 0.00 178.44 179.16 3he4 h LYS 24 N 0.27 0.65 -0.40 1.25 3.64 -0.50 -0.74 116.57 120.74 3he4 h LYS 24 Ca 0.27 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 3he4 h LYS 24 Cb 0.37 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3he4 h LYS 24 CO -0.34 0.43 -0.29 1.49 -2.27 0.00 0.00 179.45 178.47 3he4 h GLU 25 N 0.67 0.87 0.19 1.90 4.81 -0.50 -0.34 114.58 122.19 3he4 h GLU 25 Ca 0.32 -0.40 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3he4 h GLU 25 Cb 0.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3he4 h GLU 25 CO -0.21 1.05 -0.09 1.25 -0.73 0.00 0.00 179.01 180.28 3he4 h HIS 26 N 0.74 -0.23 -0.40 0.92 2.76 -0.70 -1.77 115.15 116.46 3he4 h HIS 26 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 3he4 h HIS 26 Cb 0.85 0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 3he4 h HIS 26 CO 0.05 -0.11 0.22 -0.07 -1.30 0.00 0.00 177.93 176.72 3he4 h LEU 27 N -0.29 0.47 0.17 0.26 3.38 -1.06 -1.25 115.31 116.99 3he4 h LEU 27 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3he4 h LEU 27 Cb 0.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3he4 h LEU 27 CO 0.04 0.38 -0.08 0.50 0.09 0.00 0.00 178.44 179.37 3he4 h LYS 28 N 0.55 -0.23 -0.32 1.13 3.64 -0.72 0.13 116.57 120.75 3he4 h LYS 28 Ca 0.14 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3he4 h LYS 28 Cb 0.01 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3he4 h LYS 28 CO -0.02 -0.15 0.14 0.74 -2.27 0.00 0.00 179.45 177.89 3he4 h PHE 29 N -0.23 0.46 -0.60 1.91 0.04 -0.97 -2.09 116.94 115.46 3he4 h PHE 29 Ca -0.02 -0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.81 3he4 h PHE 29 Cb 0.18 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.12 3he4 h PHE 29 CO -0.07 0.42 0.24 0.00 -0.60 0.00 0.00 178.31 178.30 3he4 h ALA 30 N 1.00 0.77 -0.41 2.45 0.00 -1.10 -0.92 119.26 121.05 3he4 h ALA 30 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3he4 h ALA 30 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3he4 h ALA 30 CO -0.01 -0.17 0.27 -0.22 0.00 0.00 0.00 179.25 179.11 3he4 h LYS 31 N 0.43 0.53 -0.95 0.00 3.64 -0.77 -2.34 116.57 117.12 3he4 h LYS 31 Ca 0.30 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.72 3he4 h LYS 31 Cb 0.34 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 3he4 h LYS 31 CO -0.28 0.35 0.60 0.00 -2.27 0.00 0.00 179.45 177.84 3he4 h ALA 32 N 1.15 1.33 -0.36 5.00 0.00 -0.62 0.81 119.26 126.58 3he4 h ALA 32 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3he4 h ALA 32 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3he4 h ALA 32 CO -0.04 0.33 -0.17 0.93 0.00 0.00 0.00 179.25 180.30 3he4 h GLU 33 N 1.05 0.67 -0.20 0.00 5.08 -0.88 -0.85 114.58 119.45 3he4 h GLU 33 Ca 0.42 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3he4 h GLU 33 Cb 0.24 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 3he4 h GLU 33 CO -0.20 0.80 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.20 3he4 h LEU 34 N 0.60 0.65 -1.63 1.33 3.38 -0.86 -1.36 115.31 117.43 3he4 h LEU 34 Ca 0.10 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3he4 h LEU 34 Cb 0.62 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3he4 h LEU 34 CO 0.04 1.06 0.22 -0.33 0.09 0.00 0.00 178.44 179.53 3he4 h GLU 35 N 0.26 0.47 0.05 1.13 5.08 -0.63 -0.32 114.58 120.63 3he4 h GLU 35 Ca 0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3he4 h GLU 35 Cb 0.93 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3he4 h GLU 35 CO 0.08 0.32 -0.03 0.35 -1.00 0.00 0.00 179.01 178.74 3he4 h PHE 36 N 0.48 -0.07 -1.00 4.33 3.57 -1.07 -1.26 116.94 121.93 3he4 h PHE 36 Ca 0.13 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.78 3he4 h PHE 36 Cb -0.03 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.63 3he4 h PHE 36 CO 0.00 0.52 0.62 1.49 -2.23 0.00 0.00 178.31 178.71 3he4 h GLU 37 N -0.74 0.84 -0.40 1.11 4.81 -0.91 0.36 114.58 119.66 3he4 h GLU 37 Ca -0.01 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 3he4 h GLU 37 Cb 0.62 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3he4 h GLU 37 CO 0.01 0.56 -0.24 1.25 -0.73 0.00 0.00 179.01 179.86 3he4 h LEU 38 N 0.87 0.91 -0.66 1.64 5.85 -1.07 -3.02 115.31 119.82 3he4 h LEU 38 Ca 0.54 -0.42 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3he4 h LEU 38 Cb 0.70 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3he4 h LEU 38 CO -0.33 1.13 0.03 0.00 -0.34 0.00 0.00 178.44 178.93 3he4 h ALA 39 N 0.80 0.88 -0.51 1.25 0.00 0.13 -2.87 119.26 118.94 3he4 h ALA 39 Ca 0.08 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.84 3he4 h ALA 39 Cb 0.82 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3he4 h ALA 39 CO 0.07 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.38 3he4 h ALA 40 N 1.03 2.41 0.00 0.00 0.00 -0.23 0.34 119.26 122.83 3he4 h ALA 40 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3he4 h ALA 40 Cb 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3he4 h ALA 40 CO 0.03 -0.66 -0.14 0.45 0.00 0.00 0.00 179.25 178.92 3he4 h HIS 41 N 0.00 0.00 -0.11 0.00 -0.00 -1.51 -2.63 115.15 110.90 3he4 h HIS 41 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 3he4 h HIS 41 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 3he4 h HIS 41 CO 0.00 0.14 0.00 1.63 -0.00 0.00 0.00 177.93 179.70 3he4 n LYS 42 N -3.88 1.54 -4.40 2.45 5.02 0.11 -4.90 118.16 114.11 3he4 n LYS 42 Ca -0.02 -0.81 -0.26 0.00 -2.02 0.00 0.00 58.31 55.21 3he4 n LYS 42 Cb 0.23 -1.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 3he4 n LYS 42 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3he4 s PHE 43 N -1.86 2.18 0.00 2.13 0.08 -0.99 -5.17 117.98 114.35 3he4 s PHE 43 Ca 0.32 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.99 3he4 s PHE 43 Cb 0.17 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 3he4 s PHE 43 CO 0.26 0.45 0.34 0.39 -0.10 0.00 0.00 175.22 176.56