#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he4 s VAL 10 N 0.00 0.25 0.00 5.15 0.11 -1.26 -5.10 120.40 119.55 3he4 s VAL 10 Ca 0.00 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 3he4 s VAL 10 Cb 0.00 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 3he4 s VAL 10 CO 0.00 -0.58 0.48 0.00 -3.33 0.00 0.00 175.10 171.67 3he4 n ALA 11 N 1.22 -0.12 -2.72 1.54 0.00 -1.26 -4.79 120.51 114.39 3he4 n ALA 11 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.86 3he4 n ALA 11 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.94 3he4 n ALA 11 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3he4 s TYR 12 N -1.31 3.49 0.07 0.00 2.02 -1.26 -5.08 117.35 115.29 3he4 s TYR 12 Ca 0.00 0.61 0.05 0.00 -0.37 0.00 0.00 57.07 57.36 3he4 s TYR 12 Cb 0.00 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3he4 s TYR 12 CO 0.00 0.31 -0.05 0.15 -1.57 0.00 0.00 175.55 174.40 3he4 s LYS 13 N 0.21 2.41 0.26 -0.62 1.02 -1.26 -5.09 119.74 116.68 3he4 s LYS 13 Ca 0.16 -0.87 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 3he4 s LYS 13 Cb -0.13 -2.46 -0.11 0.00 -0.52 0.00 0.00 37.83 34.61 3he4 s LYS 13 CO 0.04 0.55 1.60 -0.51 -0.92 0.00 0.00 175.35 176.11 3he4 s LEU 14 N -2.05 4.36 0.50 3.17 1.43 -1.26 -4.97 118.68 119.86 3he4 s LEU 14 Ca 0.22 2.88 -0.22 0.00 -1.03 0.00 0.00 54.13 55.98 3he4 s LEU 14 Cb -0.11 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 3he4 s LEU 14 CO 0.14 -0.90 1.26 -0.54 0.23 0.00 0.00 176.35 176.54 3he4 s LYS 15 N -0.05 3.45 0.18 1.70 1.02 -1.26 -4.92 119.74 119.87 3he4 s LYS 15 Ca 0.66 2.00 -0.13 0.00 0.02 0.00 0.00 55.97 58.52 3he4 s LYS 15 Cb -0.47 -2.33 0.17 0.00 -0.52 0.00 0.00 37.83 34.67 3he4 s LYS 15 CO 0.43 -0.87 1.76 1.49 -0.92 0.00 0.00 175.35 177.24 3he4 h GLU 16 N 1.76 0.37 -0.00 1.68 4.57 -2.00 -1.85 114.58 119.11 3he4 h GLU 16 Ca -0.50 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 57.69 3he4 h GLU 16 Cb 1.27 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.72 3he4 h GLU 16 CO 0.59 0.25 -0.41 -0.97 -1.18 0.00 0.00 179.01 177.29 3he4 h ASN 17 N 0.39 -1.24 -0.78 1.04 -0.73 -2.00 -1.16 115.58 111.09 3he4 h ASN 17 Ca 0.24 0.15 0.11 0.00 1.87 0.00 0.00 56.30 58.67 3he4 h ASN 17 Cb 0.23 0.49 -0.05 0.00 0.27 0.00 0.00 38.32 39.25 3he4 h ASN 17 CO -0.22 -0.45 0.51 0.00 -0.37 0.00 0.00 177.43 176.90 3he4 h ALA 18 N 0.00 1.85 -0.11 1.57 0.00 -1.86 -1.43 119.26 119.27 3he4 h ALA 18 Ca 0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3he4 h ALA 18 Cb 0.64 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3he4 h ALA 18 CO -0.31 -0.03 -0.05 0.87 0.00 0.00 0.00 179.25 179.73 3he4 h LYS 19 N 0.64 0.22 -0.94 0.00 1.57 -0.78 -2.59 116.57 114.69 3he4 h LYS 19 Ca 0.37 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3he4 h LYS 19 Cb 0.56 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3he4 h LYS 19 CO -0.14 0.56 0.62 -0.07 -0.57 0.00 0.00 179.45 179.85 3he4 h LEU 20 N -0.13 1.05 -1.05 2.94 3.38 -0.50 -1.33 115.31 119.67 3he4 h LEU 20 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3he4 h LEU 20 Cb 0.49 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3he4 h LEU 20 CO 0.01 0.74 0.52 -0.33 0.09 0.00 0.00 178.44 179.47 3he4 h GLU 21 N 1.23 1.17 -0.09 1.13 5.08 -1.28 -0.40 114.58 121.42 3he4 h GLU 21 Ca 0.36 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3he4 h GLU 21 Cb -0.07 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 28.93 3he4 h GLU 21 CO -0.10 0.82 0.05 -0.97 -1.00 0.00 0.00 179.01 177.82 3he4 h ASN 22 N 1.19 0.12 -0.86 1.42 -0.73 -0.86 -0.09 115.58 115.77 3he4 h ASN 22 Ca 0.31 -0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.40 3he4 h ASN 22 Cb -0.05 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 38.47 3he4 h ASN 22 CO -0.06 0.15 0.47 0.40 -0.37 0.00 0.00 177.43 178.02 3he4 h ILE 23 N 0.07 1.25 -0.16 2.57 2.04 -1.01 0.10 117.51 122.38 3he4 h ILE 23 Ca 0.03 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3he4 h ILE 23 Cb 0.06 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 3he4 h ILE 23 CO -0.01 0.28 0.02 0.58 0.00 0.00 0.00 178.15 179.02 3he4 h VAL 24 N 1.19 0.91 -0.58 1.67 2.07 -0.81 0.90 116.25 121.61 3he4 h VAL 24 Ca 0.30 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.81 3he4 h VAL 24 Cb 0.03 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3he4 h VAL 24 CO -0.05 0.02 0.37 0.00 0.02 0.00 0.00 177.57 177.93 3he4 h ALA 25 N 1.13 0.75 0.16 1.67 0.00 -0.30 -0.00 119.26 122.67 3he4 h ALA 25 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3he4 h ALA 25 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3he4 h ALA 25 CO -0.11 0.13 -0.08 -0.09 0.00 0.00 0.00 179.25 179.10 3he4 h ARG 26 N 0.75 -0.21 -0.54 0.00 2.43 -0.50 -2.27 114.38 114.04 3he4 h ARG 26 Ca 0.22 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3he4 h ARG 26 Cb -0.04 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 3he4 h ARG 26 CO -0.07 -0.07 0.34 -0.07 -1.51 0.00 0.00 179.97 178.58 3he4 h LEU 27 N -0.30 0.56 -0.60 3.80 3.38 -0.64 -0.49 115.31 121.01 3he4 h LEU 27 Ca -0.02 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3he4 h LEU 27 Cb 0.24 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3he4 h LEU 27 CO 0.04 0.40 0.33 -0.33 0.09 0.00 0.00 178.44 178.96 3he4 h GLU 28 N 0.67 0.61 -0.50 1.13 5.08 -0.95 -1.32 114.58 119.29 3he4 h GLU 28 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3he4 h GLU 28 Cb -0.01 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3he4 h GLU 28 CO -0.08 0.40 -0.08 -0.97 -1.00 0.00 0.00 179.01 177.28 3he4 h ASN 29 N 0.62 0.95 -0.24 1.42 -0.00 -0.93 -1.73 115.58 115.67 3he4 h ASN 29 Ca 0.26 -0.35 0.06 0.00 -0.00 0.00 0.00 56.30 56.28 3he4 h ASN 29 Cb 0.15 -0.26 -0.06 0.00 -0.00 0.00 0.00 38.32 38.15 3he4 h ASN 29 CO -0.16 1.07 -0.14 0.44 -0.00 0.00 0.00 177.43 178.64 3he4 h ASP 30 N 0.81 -0.46 -0.91 1.15 5.19 -0.76 -1.90 116.42 119.53 3he4 h ASP 30 Ca 0.13 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.67 3he4 h ASP 30 Cb 0.64 0.24 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 3he4 h ASP 30 CO 0.04 -0.18 0.60 0.78 -3.12 0.00 0.00 179.24 177.37 3he4 h ASN 31 N -0.12 1.02 0.37 6.45 2.35 -1.03 0.91 115.58 125.52 3he4 h ASN 31 Ca 0.13 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3he4 h ASN 31 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3he4 h ASN 31 CO -0.32 0.71 -0.30 0.00 -1.65 0.00 0.00 177.43 175.88 3he4 h ALA 32 N 1.36 -0.67 -0.45 -0.83 0.00 -0.99 0.11 119.26 117.79 3he4 h ALA 32 Ca 0.35 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3he4 h ALA 32 Cb -0.06 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3he4 h ALA 32 CO -0.10 -0.90 0.10 -0.91 0.00 0.00 0.00 179.25 177.43 3he4 h ASN 33 N -0.67 0.63 0.05 0.00 2.35 -1.06 -1.34 115.58 115.54 3he4 h ASN 33 Ca -0.03 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 3he4 h ASN 33 Cb 0.59 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3he4 h ASN 33 CO -0.02 0.64 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.08 3he4 h LEU 34 N 0.66 0.33 -0.48 1.61 3.38 -0.56 -0.66 115.31 119.59 3he4 h LEU 34 Ca 0.15 -0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 3he4 h LEU 34 Cb 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3he4 h LEU 34 CO -0.00 0.58 -0.49 -0.33 0.09 0.00 0.00 178.44 178.29 3he4 h GLU 35 N 0.30 0.69 -0.49 1.13 5.08 0.11 -1.80 114.58 119.59 3he4 h GLU 35 Ca 0.05 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.89 3he4 h GLU 35 Cb 0.61 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3he4 h GLU 35 CO 0.04 1.02 -0.13 0.87 -1.00 0.00 0.00 179.01 179.82 3he4 h LYS 36 N 0.54 0.93 -0.03 2.33 1.57 -1.01 -0.87 116.57 120.04 3he4 h LYS 36 Ca 0.02 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3he4 h LYS 36 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3he4 h LYS 36 CO 0.10 1.00 0.01 -0.44 -0.57 0.00 0.00 179.45 179.55 3he4 h ASP 37 N 0.83 0.02 -0.26 0.86 3.32 -1.02 -1.57 116.42 118.59 3he4 h ASP 37 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3he4 h ASP 37 Cb 0.67 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3he4 h ASP 37 CO 0.05 0.01 0.15 0.40 -1.72 0.00 0.00 179.24 178.14 3he4 h ILE 38 N 0.03 1.10 -0.91 0.35 2.04 -1.20 -0.71 117.51 118.21 3he4 h ILE 38 Ca 0.01 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.68 3he4 h ILE 38 Cb 0.00 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3he4 h ILE 38 CO -0.01 0.10 0.58 0.00 0.00 0.00 0.00 178.15 178.82 3he4 h ALA 39 N 1.05 1.25 -0.14 1.87 0.00 -1.04 0.30 119.26 122.54 3he4 h ALA 39 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3he4 h ALA 39 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3he4 h ALA 39 CO -0.02 0.35 -0.54 -0.91 0.00 0.00 0.00 179.25 178.13 3he4 h ASN 40 N 1.06 0.46 -0.23 0.00 2.35 -0.90 -0.84 115.58 117.48 3he4 h ASN 40 Ca 0.39 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 3he4 h ASN 40 Cb 0.15 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3he4 h ASN 40 CO -0.17 0.91 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.41 3he4 h LEU 41 N 0.33 0.44 -1.16 1.61 3.38 -0.30 -0.79 115.31 118.82 3he4 h LEU 41 Ca 0.01 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.65 3he4 h LEU 41 Cb 1.05 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 3he4 h LEU 41 CO 0.09 0.69 0.57 -0.33 0.09 0.00 0.00 178.44 179.56 3he4 h GLU 42 N 0.18 1.10 0.17 1.13 5.08 -0.31 0.20 114.58 122.14 3he4 h GLU 42 Ca 0.06 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3he4 h GLU 42 Cb 0.49 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3he4 h GLU 42 CO 0.02 0.73 -0.08 0.87 -1.00 0.00 0.00 179.01 179.55 3he4 h LYS 43 N 1.13 -0.22 -0.45 2.33 1.79 -0.97 -1.77 116.57 118.41 3he4 h LYS 43 Ca 0.33 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.87 3he4 h LYS 43 Cb -0.06 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 3he4 h LYS 43 CO -0.09 -0.13 0.17 -0.44 -1.08 0.00 0.00 179.45 177.89 3he4 h ASP 44 N -0.25 0.20 -0.31 0.86 3.32 -0.45 -2.10 116.42 117.69 3he4 h ASP 44 Ca -0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3he4 h ASP 44 Cb 0.20 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3he4 h ASP 44 CO 0.04 0.15 0.15 0.40 -1.72 0.00 0.00 179.24 178.26 3he4 h ILE 45 N 0.36 1.15 -0.62 0.35 2.04 -0.96 -0.03 117.51 119.80 3he4 h ILE 45 Ca 0.21 -0.43 0.13 0.00 1.00 0.00 0.00 64.86 65.77 3he4 h ILE 45 Cb 0.19 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 3he4 h ILE 45 CO -0.20 0.16 0.01 0.00 0.00 0.00 0.00 178.15 178.12 3he4 h ALA 46 N 1.01 0.62 0.06 1.87 0.00 -0.94 0.30 119.26 122.19 3he4 h ALA 46 Ca 0.11 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3he4 h ALA 46 Cb 0.11 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3he4 h ALA 46 CO -0.01 -0.39 -0.03 -0.91 0.00 0.00 0.00 179.25 177.91 3he4 h ASN 47 N 0.13 -0.07 -0.69 0.00 2.35 -1.16 -2.99 115.58 113.14 3he4 h ASN 47 Ca 0.32 -0.18 0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3he4 h ASN 47 Cb 0.52 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.86 3he4 h ASN 47 CO -0.52 0.14 0.40 -0.07 -1.65 0.00 0.00 177.43 175.74 3he4 h LEU 48 N -0.28 0.62 -1.53 1.61 3.38 -0.11 -1.63 115.31 117.37 3he4 h LEU 48 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3he4 h LEU 48 Cb 0.25 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3he4 h LEU 48 CO 0.01 0.41 0.31 -0.33 0.09 0.00 0.00 178.44 178.94 3he4 h GLU 49 N 0.76 0.63 0.01 1.13 5.08 -0.40 0.24 114.58 122.02 3he4 h GLU 49 Ca 0.30 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.40 3he4 h GLU 49 Cb 0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3he4 h GLU 49 CO -0.16 0.42 -0.94 0.07 -1.00 0.00 0.00 179.01 177.40 3he4 h ARG 50 N 0.65 0.31 0.00 2.33 0.11 -1.31 -3.10 114.38 113.36 3he4 h ARG 50 Ca 0.17 -0.35 -0.01 0.00 0.10 0.00 0.00 59.98 59.89 3he4 h ARG 50 Cb -0.07 0.10 -0.00 0.00 1.11 0.00 0.00 29.97 31.11 3he4 h ARG 50 CO -0.04 1.05 -0.06 -0.44 0.10 0.00 0.00 179.97 180.59 3he4 h ASP 51 N 0.16 0.00 0.39 0.08 3.32 -0.01 -0.67 116.42 119.69 3he4 h ASP 51 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3he4 h ASP 51 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3he4 h ASP 51 CO 0.15 0.06 -0.91 1.33 -1.72 0.00 0.00 179.24 178.15 3he4 n VAL 52 N -3.52 0.11 1.63 -1.35 0.24 -0.78 -5.09 118.33 109.57 3he4 n VAL 52 Ca -0.02 -0.16 0.15 0.00 -2.04 0.00 0.00 64.34 62.26 3he4 n VAL 52 Cb 0.18 0.32 0.64 0.00 -1.47 0.00 0.00 33.84 33.50 3he4 n VAL 52 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69