#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 2.01 0.32 5.53 2.01 -1.26 -4.83 115.64 119.43 3he4 s THR 2 Ca 0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3he4 s THR 2 Cb 0.00 -3.01 0.29 0.00 0.01 0.00 0.00 72.50 69.79 3he4 s THR 2 CO 0.00 0.00 1.90 0.58 -0.69 0.00 0.00 174.62 176.42 3he4 h VAL 3 N 2.76 1.01 -0.34 3.82 2.07 -2.06 0.49 116.25 123.99 3he4 h VAL 3 Ca -0.51 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 3he4 h VAL 3 Cb 1.25 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3he4 h VAL 3 CO 0.63 0.17 0.10 0.50 0.02 0.00 0.00 177.57 178.99 3he4 h LYS 4 N 0.93 0.54 -0.24 1.57 3.64 -2.01 -2.73 116.57 118.28 3he4 h LYS 4 Ca 0.40 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3he4 h LYS 4 Cb 0.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3he4 h LYS 4 CO -0.16 0.58 0.15 0.93 -2.27 0.00 0.00 179.45 178.68 3he4 h GLU 5 N 0.40 0.30 -0.58 1.90 5.08 -1.54 -2.97 114.58 117.17 3he4 h GLU 5 Ca 0.11 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 3he4 h GLU 5 Cb 0.27 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 3he4 h GLU 5 CO -0.00 0.20 0.31 -0.07 -1.00 0.00 0.00 179.01 178.45 3he4 h LEU 6 N 0.31 0.46 -1.18 1.33 3.38 -0.90 -1.86 115.31 116.85 3he4 h LEU 6 Ca 0.09 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3he4 h LEU 6 Cb -0.03 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3he4 h LEU 6 CO -0.03 0.31 -0.41 0.11 0.09 0.00 0.00 178.44 178.52 3he4 h LYS 7 N 0.60 0.00 -0.19 1.13 1.57 -1.41 0.35 116.57 118.62 3he4 h LYS 7 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3he4 h LYS 7 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3he4 h LYS 7 CO -0.16 0.41 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.00 3he4 h ASN 8 N 0.00 0.51 -0.67 0.86 4.21 -1.32 -1.69 115.58 117.48 3he4 h ASN 8 Ca -0.00 -0.49 -0.08 0.00 1.21 0.00 0.00 56.30 56.93 3he4 h ASN 8 Cb 0.73 -0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 37.76 3he4 h ASN 8 CO 0.05 0.91 0.09 0.22 -1.29 0.00 0.00 177.43 177.41 3he4 h TYR 9 N 0.13 1.19 -0.61 1.19 3.20 -1.09 -2.30 116.97 118.68 3he4 h TYR 9 Ca 0.03 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.74 3he4 h TYR 9 Cb 0.77 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 3he4 h TYR 9 CO 0.08 1.00 0.39 0.82 -1.64 0.00 0.00 178.16 178.82 3he4 h ILE 10 N 1.04 1.12 -0.81 1.81 2.04 -0.89 0.14 117.51 121.95 3he4 h ILE 10 Ca 0.20 -0.27 0.14 0.00 1.00 0.00 0.00 64.86 65.93 3he4 h ILE 10 Cb 0.46 0.26 -0.09 0.00 -0.74 0.00 0.00 36.82 36.71 3he4 h ILE 10 CO 0.02 0.14 0.40 -0.61 0.00 0.00 0.00 178.15 178.10 3he4 h GLN 11 N 0.79 0.57 -0.26 2.37 5.75 -0.88 -0.28 115.11 123.17 3he4 h GLN 11 Ca 0.24 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 3he4 h GLN 11 Cb -0.04 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.38 3he4 h GLN 11 CO -0.08 0.38 -0.25 0.93 -2.65 0.00 0.00 178.83 177.17 3he4 h GLU 12 N 0.59 0.62 -0.99 1.69 5.08 -0.76 -2.57 114.58 118.24 3he4 h GLU 12 Ca 0.44 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 3he4 h GLU 12 Cb 0.61 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3he4 h GLU 12 CO -0.36 0.92 0.66 -0.07 -1.00 0.00 0.00 179.01 179.16 3he4 h LEU 13 N 0.34 1.13 -0.78 1.33 3.38 0.06 -1.04 115.31 119.73 3he4 h LEU 13 Ca 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3he4 h LEU 13 Cb 0.81 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3he4 h LEU 13 CO 0.06 0.81 -0.47 -0.33 0.09 0.00 0.00 178.44 178.60 3he4 h GLU 14 N 1.33 0.00 -0.12 1.13 5.08 -1.08 -0.69 114.58 120.23 3he4 h GLU 14 Ca 0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3he4 h GLU 14 Cb -0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 3he4 h GLU 14 CO -0.08 0.47 -0.08 0.93 -1.00 0.00 0.00 179.01 179.25 3he4 h GLU 15 N 0.00 0.27 -0.30 2.33 5.08 -0.92 -2.05 114.58 118.98 3he4 h GLU 15 Ca -0.00 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3he4 h GLU 15 Cb 1.02 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3he4 h GLU 15 CO 0.06 0.63 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.43 3he4 h ARG 16 N -0.10 0.55 -0.69 2.33 2.43 -1.13 -1.41 114.38 116.37 3he4 h ARG 16 Ca 0.02 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3he4 h ARG 16 Cb 0.56 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 3he4 h ARG 16 CO 0.02 0.72 0.42 -0.97 -1.51 0.00 0.00 179.97 178.65 3he4 h ASN 17 N 0.50 0.67 -0.47 -3.80 -0.73 -1.08 0.35 115.58 111.03 3he4 h ASN 17 Ca 0.08 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.24 3he4 h ASN 17 Cb 0.61 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 3he4 h ASN 17 CO 0.04 0.46 0.22 0.00 -0.37 0.00 0.00 177.43 177.78 3he4 h ALA 18 N 1.31 0.60 -0.26 1.57 0.00 -0.91 -0.84 119.26 120.73 3he4 h ALA 18 Ca 0.29 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3he4 h ALA 18 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3he4 h ALA 18 CO -0.13 0.17 0.15 0.93 0.00 0.00 0.00 179.25 180.37 3he4 h GLU 19 N 0.61 0.35 -0.06 0.00 5.08 -0.69 -2.06 114.58 117.81 3he4 h GLU 19 Ca 0.16 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3he4 h GLU 19 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3he4 h GLU 19 CO -0.02 0.30 0.02 -0.07 -1.00 0.00 0.00 179.01 178.25 3he4 h LEU 20 N 0.31 0.08 -0.86 1.33 3.38 -0.19 -0.96 115.31 118.39 3he4 h LEU 20 Ca 0.09 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.98 3he4 h LEU 20 Cb 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3he4 h LEU 20 CO -0.02 0.21 0.53 0.11 0.09 0.00 0.00 178.44 179.36 3he4 h LYS 21 N -0.06 0.90 0.64 1.13 1.57 -1.14 0.14 116.57 119.75 3he4 h LYS 21 Ca 0.02 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3he4 h LYS 21 Cb 0.16 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.27 3he4 h LYS 21 CO -0.00 0.60 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.25 3he4 h ASN 22 N 0.93 -0.75 -0.55 0.86 4.21 -1.14 -1.61 115.58 117.53 3he4 h ASN 22 Ca 0.39 0.03 0.09 0.00 1.21 0.00 0.00 56.30 58.02 3he4 h ASN 22 Cb 0.24 0.20 -0.07 0.00 -1.12 0.00 0.00 38.32 37.57 3he4 h ASN 22 CO -0.20 -0.53 0.16 0.25 -1.29 0.00 0.00 177.43 175.82 3he4 h LEU 23 N -0.87 0.11 -0.70 1.61 5.85 -0.82 -0.91 115.31 119.57 3he4 h LEU 23 Ca -0.09 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3he4 h LEU 23 Cb 0.67 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3he4 h LEU 23 CO 0.14 0.08 0.41 0.50 -0.34 0.00 0.00 178.44 179.23 3he4 h LYS 24 N 0.32 0.74 -0.38 1.25 3.64 -0.62 -0.48 116.57 121.03 3he4 h LYS 24 Ca 0.28 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.48 3he4 h LYS 24 Cb 0.36 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3he4 h LYS 24 CO -0.32 0.49 -0.31 1.49 -2.27 0.00 0.00 179.45 178.54 3he4 h GLU 25 N 0.76 0.83 0.24 1.90 4.81 -0.56 -0.24 114.58 122.33 3he4 h GLU 25 Ca 0.31 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3he4 h GLU 25 Cb 0.15 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3he4 h GLU 25 CO -0.16 1.02 -0.12 1.25 -0.73 0.00 0.00 179.01 180.27 3he4 h HIS 26 N 0.70 -0.30 -0.29 0.92 2.76 -0.63 -1.99 115.15 116.32 3he4 h HIS 26 Ca 0.08 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3he4 h HIS 26 Cb 0.86 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.90 3he4 h HIS 26 CO 0.05 -0.18 0.12 -0.07 -1.30 0.00 0.00 177.93 176.55 3he4 h LEU 27 N -0.33 0.35 0.08 0.26 3.38 -1.01 -1.51 115.31 116.53 3he4 h LEU 27 Ca -0.03 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3he4 h LEU 27 Cb 0.25 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3he4 h LEU 27 CO 0.05 0.32 -0.04 0.50 0.09 0.00 0.00 178.44 179.37 3he4 h LYS 28 N 0.40 -0.10 -0.32 1.13 3.64 -0.70 -0.38 116.57 120.23 3he4 h LYS 28 Ca 0.10 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3he4 h LYS 28 Cb 0.08 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3he4 h LYS 28 CO -0.01 -0.05 0.11 0.74 -2.27 0.00 0.00 179.45 177.97 3he4 h PHE 29 N -0.12 0.51 -0.69 1.91 0.04 -1.03 -2.07 116.94 115.48 3he4 h PHE 29 Ca -0.01 -0.05 0.08 0.00 2.80 0.00 0.00 57.97 60.79 3he4 h PHE 29 Cb 0.10 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 3he4 h PHE 29 CO -0.07 0.50 0.36 0.00 -0.60 0.00 0.00 178.31 178.50 3he4 h ALA 30 N 0.95 0.94 -0.38 2.45 0.00 -1.18 -0.85 119.26 121.19 3he4 h ALA 30 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3he4 h ALA 30 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3he4 h ALA 30 CO -0.01 -0.01 0.20 -0.22 0.00 0.00 0.00 179.25 179.21 3he4 h LYS 31 N 0.63 0.53 -0.86 0.00 3.64 -0.90 -2.37 116.57 117.24 3he4 h LYS 31 Ca 0.33 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 3he4 h LYS 31 Cb 0.29 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 3he4 h LYS 31 CO -0.23 0.45 0.51 0.00 -2.27 0.00 0.00 179.45 177.91 3he4 h ALA 32 N 1.05 1.23 -0.34 5.00 0.00 -0.62 0.12 119.26 125.70 3he4 h ALA 32 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3he4 h ALA 32 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3he4 h ALA 32 CO -0.02 0.17 -0.16 0.93 0.00 0.00 0.00 179.25 180.17 3he4 h GLU 33 N 0.87 0.62 -0.20 0.00 5.08 -0.90 -0.68 114.58 119.36 3he4 h GLU 33 Ca 0.41 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 3he4 h GLU 33 Cb 0.33 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3he4 h GLU 33 CO -0.23 0.75 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.93 3he4 h LEU 34 N 0.56 0.82 -1.54 1.33 3.38 -0.85 -1.43 115.31 117.57 3he4 h LEU 34 Ca 0.09 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3he4 h LEU 34 Cb 0.59 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3he4 h LEU 34 CO 0.04 1.25 0.07 -0.33 0.09 0.00 0.00 178.44 179.56 3he4 h GLU 35 N 0.43 0.37 0.02 1.13 5.08 -0.46 -0.63 114.58 120.51 3he4 h GLU 35 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3he4 h GLU 35 Cb 1.15 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3he4 h GLU 35 CO 0.12 0.34 -0.01 0.35 -1.00 0.00 0.00 179.01 178.81 3he4 h PHE 36 N 0.37 -0.02 -0.99 4.33 3.57 -1.03 -1.25 116.94 121.92 3he4 h PHE 36 Ca 0.09 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3he4 h PHE 36 Cb 0.13 0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.79 3he4 h PHE 36 CO 0.00 0.66 0.61 1.49 -2.23 0.00 0.00 178.31 178.85 3he4 h GLU 37 N -0.74 0.87 -0.39 1.11 4.81 -0.98 0.33 114.58 119.60 3he4 h GLU 37 Ca -0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 3he4 h GLU 37 Cb 0.69 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3he4 h GLU 37 CO 0.00 0.58 -0.22 1.25 -0.73 0.00 0.00 179.01 179.89 3he4 h LEU 38 N 0.90 0.88 -0.74 1.64 5.85 -1.13 -2.99 115.31 119.72 3he4 h LEU 38 Ca 0.52 -0.42 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3he4 h LEU 38 Cb 0.63 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3he4 h LEU 38 CO -0.31 1.10 0.04 0.00 -0.34 0.00 0.00 178.44 178.93 3he4 h ALA 39 N 0.80 0.95 -0.67 1.25 0.00 0.11 -3.03 119.26 118.66 3he4 h ALA 39 Ca 0.08 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.80 3he4 h ALA 39 Cb 0.79 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3he4 h ALA 39 CO 0.06 0.64 0.44 0.00 0.00 0.00 0.00 179.25 180.40 3he4 h ALA 40 N 1.10 1.91 -0.84 0.00 0.00 -0.25 -2.40 119.26 118.77 3he4 h ALA 40 Ca 0.18 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.30 3he4 h ALA 40 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 3he4 h ALA 40 CO 0.02 -0.05 0.59 0.45 0.00 0.00 0.00 179.25 180.26 3he4 h HIS 41 N 0.54 0.23 -0.00 0.00 -0.00 -1.51 -2.21 115.15 112.20 3he4 h HIS 41 Ca 0.31 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.68 3he4 h HIS 41 Cb 0.49 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3he4 h HIS 41 CO -0.00 0.06 -0.14 1.63 -0.00 0.00 0.00 177.93 179.48 3he4 n LYS 42 N -4.39 0.56 -4.19 2.45 5.02 -0.90 -4.90 118.16 111.81 3he4 n LYS 42 Ca 0.18 -0.19 -0.27 0.00 -2.02 0.00 0.00 58.31 56.01 3he4 n LYS 42 Cb 0.80 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.57 2.88 -0.63 2.13 0.08 -0.83 -5.20 117.98 113.84 3he4 s PHE 43 Ca 0.26 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.23 3he4 s PHE 43 Cb 0.20 -1.39 0.04 0.00 -0.57 0.00 0.00 43.02 41.29 3he4 s PHE 43 CO 0.50 0.52 0.66 0.39 -0.10 0.00 0.00 175.22 177.19