#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bpi n PRO 2 N 0.00 0.00 -0.26 5.56 -0.02 -1.26 -4.87 135.00 134.15 1bpi n PRO 2 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 1bpi n PRO 2 Cb 0.00 -0.73 0.20 0.00 -0.02 0.00 0.00 33.50 32.95 1bpi n PRO 2 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1bpi h ASP 3 N 0.37 0.25 0.55 2.55 2.03 -2.01 -1.36 116.42 118.80 1bpi h ASP 3 Ca -0.25 0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.16 1bpi h ASP 3 Cb 1.05 0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1bpi h ASP 3 CO 0.36 0.08 -0.03 2.19 -1.03 0.00 0.00 179.24 180.80 1bpi h PHE 4 N 0.42 0.00 0.00 4.15 -5.15 -1.98 -0.42 116.94 113.96 1bpi h PHE 4 Ca 0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.20 1bpi h PHE 4 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.84 1bpi h PHE 4 CO -0.18 0.03 0.00 0.00 -2.00 0.00 0.00 178.31 176.17 1bpi n LEU 6 N -2.49 0.67 -4.80 0.00 4.77 -0.17 -4.47 117.00 110.51 1bpi n LEU 6 Ca 0.01 -0.16 -0.35 0.00 -0.03 0.00 0.00 56.01 55.49 1bpi n LEU 6 Cb 0.22 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1bpi n LEU 6 CO 0.21 0.15 0.69 -1.61 -1.33 0.00 0.00 177.39 175.50 1bpi s GLU 7 N -3.03 4.17 0.70 3.23 0.41 -0.96 -4.93 118.70 118.29 1bpi s GLU 7 Ca 0.09 1.32 -0.15 0.00 -0.41 0.00 0.00 54.97 55.82 1bpi s GLU 7 Cb 0.17 -2.37 0.02 0.00 -1.78 0.00 0.00 34.13 30.17 1bpi s GLU 7 CO 0.77 -0.10 1.18 -1.25 -0.49 0.00 0.00 175.26 175.37 1bpi s PRO 8 N -2.81 2.36 0.47 0.39 0.04 -1.26 -4.93 135.00 129.26 1bpi s PRO 8 Ca 0.60 1.68 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 1bpi s PRO 8 Cb -0.16 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1bpi s PRO 8 CO 0.21 -1.65 1.18 -1.25 0.04 0.00 0.00 177.00 175.53 1bpi s PRO 9 N -3.91 3.69 -0.28 0.56 0.04 -1.26 -4.94 135.00 128.90 1bpi s PRO 9 Ca 0.73 1.82 0.02 0.00 0.04 0.00 0.00 61.00 63.60 1bpi s PRO 9 Cb -0.27 -2.39 0.06 0.00 0.04 0.00 0.00 34.50 31.94 1bpi s PRO 9 CO 0.43 -0.62 -0.07 -0.47 0.04 0.00 0.00 177.00 176.31 1bpi s TYR 10 N -1.53 3.30 0.13 0.56 5.04 -1.26 -4.97 117.35 118.62 1bpi s TYR 10 Ca 0.64 -2.26 -0.12 0.00 -2.44 0.00 0.00 57.07 52.89 1bpi s TYR 10 Cb -0.30 -2.05 -0.06 0.00 0.35 0.00 0.00 41.96 39.90 1bpi s TYR 10 CO 0.36 -0.87 1.46 1.15 -1.34 0.00 0.00 175.55 176.31 1bpi h THR 11 N 6.68 1.28 0.00 4.34 2.02 -1.95 -3.44 112.91 121.85 1bpi h THR 11 Ca -0.18 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1bpi h THR 11 Cb 1.04 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1bpi h THR 11 CO 0.48 0.50 0.00 0.61 0.37 0.00 0.00 175.52 177.48 1bpi n GLY 12 N 0.13 -2.32 0.41 2.16 0.00 -1.26 -0.74 105.19 103.57 1bpi n GLY 12 Ca -0.03 -1.55 0.13 0.00 0.00 0.00 0.00 46.02 44.57 1bpi n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bpi n PRO 13 N -0.75 1.25 -2.58 1.61 -0.04 -1.26 -4.74 135.00 128.50 1bpi n PRO 13 Ca 0.00 -0.83 -0.27 0.00 -0.04 0.00 0.00 63.50 62.36 1bpi n PRO 13 Cb 0.00 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 31.99 1bpi n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bpi n LYS 15 N -2.35 2.27 -0.90 0.00 4.76 -1.12 -4.40 118.16 116.42 1bpi n LYS 15 Ca 0.02 -2.62 -0.30 0.00 -2.87 0.00 0.00 58.31 52.54 1bpi n LYS 15 Cb 0.56 -1.63 0.16 0.00 -1.84 0.00 0.00 35.03 32.28 1bpi n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bpi s ALA 16 N -2.63 1.35 -0.51 7.82 0.00 -0.31 -5.02 121.76 122.45 1bpi s ALA 16 Ca 0.35 0.28 0.04 0.00 0.00 0.00 0.00 51.96 52.62 1bpi s ALA 16 Cb 0.28 -3.33 0.13 0.00 0.00 0.00 0.00 23.12 20.21 1bpi s ALA 16 CO 0.06 -2.64 0.25 1.03 0.00 0.00 0.00 175.76 174.47 1bpi s ARG 17 N -4.73 1.92 -0.28 0.00 0.52 -1.26 -4.04 118.95 111.08 1bpi s ARG 17 Ca 0.65 -2.57 -0.08 0.00 -0.52 0.00 0.00 55.73 53.21 1bpi s ARG 17 Cb -0.21 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 31.98 1bpi s ARG 17 CO 0.58 -1.11 0.10 0.42 0.02 0.00 0.00 175.30 175.32 1bpi s ILE 18 N -0.22 4.38 -0.16 1.52 1.01 -0.10 -4.93 121.20 122.69 1bpi s ILE 18 Ca 0.17 -0.33 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1bpi s ILE 18 Cb -0.26 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1bpi s ILE 18 CO -0.00 0.20 1.13 -0.63 0.00 0.00 0.00 174.94 175.64 1bpi s ILE 19 N 1.60 4.50 0.27 2.92 -1.09 -1.26 -0.60 121.20 127.54 1bpi s ILE 19 Ca 0.05 1.81 0.04 0.00 -2.23 0.00 0.00 60.65 60.32 1bpi s ILE 19 Cb -0.16 -4.16 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 1bpi s ILE 19 CO 0.04 -0.11 -0.00 -0.13 -1.23 0.00 0.00 174.94 173.52 1bpi s ARG 20 N 2.92 1.47 0.12 2.79 1.81 -0.46 -4.96 118.95 122.64 1bpi s ARG 20 Ca 0.50 -1.77 -0.04 0.00 -1.72 0.00 0.00 55.73 52.71 1bpi s ARG 20 Cb -0.19 -0.82 -0.05 0.00 -0.45 0.00 0.00 34.95 33.44 1bpi s ARG 20 CO 0.13 -0.09 0.33 0.71 -0.68 0.00 0.00 175.30 175.71 1bpi s TYR 21 N -3.29 3.49 0.10 -0.53 2.02 0.35 -0.51 117.35 118.98 1bpi s TYR 21 Ca 0.31 0.48 0.03 0.00 -0.37 0.00 0.00 57.07 57.53 1bpi s TYR 21 Cb 0.06 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 1bpi s TYR 21 CO 0.11 0.48 -0.10 -0.59 -1.57 0.00 0.00 175.55 173.88 1bpi s PHE 22 N -1.61 1.03 -0.25 2.71 -0.71 0.32 -0.58 117.98 118.88 1bpi s PHE 22 Ca 0.39 -0.68 -0.25 0.00 -1.04 0.00 0.00 56.93 55.35 1bpi s PHE 22 Cb -0.12 -0.57 -0.00 0.00 -1.21 0.00 0.00 43.02 41.12 1bpi s PHE 22 CO 0.25 -0.02 0.85 -0.47 -1.34 0.00 0.00 175.22 174.49 1bpi s TYR 23 N -2.54 3.30 -0.63 3.49 5.04 -1.26 -0.68 117.35 124.07 1bpi s TYR 23 Ca 0.06 1.13 -0.20 0.00 -2.44 0.00 0.00 57.07 55.61 1bpi s TYR 23 Cb -0.02 -3.10 0.09 0.00 0.35 0.00 0.00 41.96 39.28 1bpi s TYR 23 CO -0.00 -0.43 0.82 1.21 -1.34 0.00 0.00 175.55 175.80 1bpi s ASN 24 N 1.37 6.18 0.43 4.32 3.84 -0.13 -4.81 114.94 126.14 1bpi s ASN 24 Ca 0.36 -1.26 0.22 0.00 0.21 0.00 0.00 52.86 52.38 1bpi s ASN 24 Cb -0.15 -2.35 0.92 0.00 -0.55 0.00 0.00 41.25 39.12 1bpi s ASN 24 CO 0.08 -1.25 1.84 0.00 -2.79 0.00 0.00 177.10 174.98 1bpi h ALA 25 N 9.34 1.10 -0.49 1.71 0.00 -1.83 0.18 119.26 129.27 1bpi h ALA 25 Ca -0.29 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1bpi h ALA 25 Cb 1.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1bpi h ALA 25 CO 1.14 0.34 -0.09 -0.22 0.00 0.00 0.00 179.25 180.42 1bpi h LYS 26 N 0.00 0.92 0.00 0.00 3.64 -1.95 -3.14 116.57 116.04 1bpi h LYS 26 Ca -0.00 -0.34 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1bpi h LYS 26 Cb 0.71 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1bpi h LYS 26 CO 0.04 0.99 -0.86 0.00 -2.27 0.00 0.00 179.45 177.35 1bpi h ALA 27 N 0.90 0.67 -0.29 5.00 0.00 -1.90 -3.48 119.26 120.16 1bpi h ALA 27 Ca 0.13 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1bpi h ALA 27 Cb 0.63 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1bpi h ALA 27 CO 0.04 0.50 -0.08 0.41 0.00 0.00 0.00 179.25 180.12 1bpi n GLY 28 N 1.26 0.51 2.92 0.00 0.00 0.59 -5.03 105.19 105.45 1bpi n GLY 28 Ca -0.02 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1bpi n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bpi s LEU 29 N -0.90 2.05 0.09 0.99 1.43 -1.09 -5.00 118.68 116.25 1bpi s LEU 29 Ca 0.00 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1bpi s LEU 29 Cb 0.00 0.08 -0.05 0.00 0.03 0.00 0.00 46.19 46.24 1bpi s LEU 29 CO 0.00 -0.12 1.04 0.00 0.23 0.00 0.00 176.35 177.49 1bpi s GLN 31 N 0.34 1.04 0.44 0.00 -0.21 0.14 -4.94 119.66 116.48 1bpi s GLN 31 Ca 0.51 -1.50 -0.17 0.00 0.02 0.00 0.00 55.36 54.22 1bpi s GLN 31 Cb -0.25 -0.05 -0.09 0.00 1.00 0.00 0.00 33.01 33.62 1bpi s GLN 31 CO 0.30 -0.19 0.91 0.95 -2.12 0.00 0.00 175.29 175.14 1bpi s THR 32 N -3.83 4.54 0.20 -0.19 -4.23 -1.26 -0.52 115.64 110.35 1bpi s THR 32 Ca 0.24 1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 61.88 1bpi s THR 32 Cb 0.07 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.22 1bpi s THR 32 CO 0.03 -0.46 0.28 0.72 -0.54 0.00 0.00 174.62 174.64 1bpi s PHE 33 N -2.34 0.69 -0.30 3.99 -0.71 0.33 -4.87 117.98 114.77 1bpi s PHE 33 Ca 0.58 -1.00 -0.10 0.00 -1.04 0.00 0.00 56.93 55.37 1bpi s PHE 33 Cb -0.10 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1bpi s PHE 33 CO 0.23 -0.77 0.17 0.08 -1.34 0.00 0.00 175.22 173.59 1bpi s VAL 34 N -4.06 4.89 -0.14 -2.49 1.01 -1.26 -1.36 120.40 117.00 1bpi s VAL 34 Ca 0.27 -0.19 -0.11 0.00 0.00 0.00 0.00 61.98 61.96 1bpi s VAL 34 Cb 0.04 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1bpi s VAL 34 CO 0.07 0.14 0.22 -0.47 0.00 0.00 0.00 175.10 175.06 1bpi s TYR 35 N 1.68 3.52 -1.41 5.22 5.04 0.23 -4.34 117.35 127.29 1bpi s TYR 35 Ca 0.06 0.55 0.29 0.00 -2.44 0.00 0.00 57.07 55.54 1bpi s TYR 35 Cb -0.17 -2.16 1.34 0.00 0.35 0.00 0.00 41.96 41.32 1bpi s TYR 35 CO 0.08 0.46 1.94 0.41 -1.34 0.00 0.00 175.55 177.10 1bpi n GLY 36 N 2.79 -1.21 0.00 8.97 0.00 0.08 -0.93 105.19 114.89 1bpi n GLY 36 Ca -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1bpi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bpi n GLY 37 N 1.32 0.47 3.11 -0.02 0.00 -1.26 -1.17 105.19 107.65 1bpi n GLY 37 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1bpi n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bpi n ARG 39 N 0.67 -6.94 -1.61 0.00 1.74 -1.26 -4.51 116.66 104.75 1bpi n ARG 39 Ca -0.18 0.78 -0.39 0.00 -0.77 0.00 0.00 57.85 57.28 1bpi n ARG 39 Cb 0.59 -5.75 0.03 0.00 -1.02 0.00 0.00 32.46 26.31 1bpi n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bpi n ALA 40 N -4.65 0.18 -2.03 7.54 0.00 -1.26 -4.89 120.51 115.40 1bpi n ALA 40 Ca -0.10 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.25 1bpi n ALA 40 Cb 0.60 -2.09 0.07 0.00 0.00 0.00 0.00 19.45 18.03 1bpi n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bpi s LYS 41 N -2.38 2.16 0.17 0.00 1.02 -1.26 -5.05 119.74 114.39 1bpi s LYS 41 Ca 0.69 -1.65 0.02 0.00 0.02 0.00 0.00 55.97 55.05 1bpi s LYS 41 Cb -0.48 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1bpi s LYS 41 CO 0.52 -1.01 1.39 0.00 -0.92 0.00 0.00 175.35 175.33 1bpi h ARG 42 N 0.04 0.24 -3.59 1.68 3.08 -1.96 -3.34 114.38 110.53 1bpi h ARG 42 Ca -0.29 -0.25 -0.71 0.00 0.07 0.00 0.00 59.98 58.80 1bpi h ARG 42 Cb 1.29 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.35 1bpi h ARG 42 CO 0.40 0.96 2.98 -1.71 -1.07 0.00 0.00 179.97 181.53 1bpi n ASN 43 N -3.70 5.42 -3.36 7.04 5.15 -1.26 -4.72 115.26 119.84 1bpi n ASN 43 Ca -0.04 -2.87 -0.02 0.00 -0.60 0.00 0.00 54.58 51.06 1bpi n ASN 43 Cb 0.79 -1.58 -0.04 0.00 -0.53 0.00 0.00 39.78 38.42 1bpi n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1bpi s ASN 44 N 2.26 -0.83 0.02 1.20 3.84 -1.26 -4.58 114.94 115.60 1bpi s ASN 44 Ca 0.50 0.88 0.05 0.00 0.21 0.00 0.00 52.86 54.50 1bpi s ASN 44 Cb 0.14 1.86 -0.02 0.00 -0.55 0.00 0.00 41.25 42.68 1bpi s ASN 44 CO -0.06 -0.26 -0.14 -0.36 -2.79 0.00 0.00 177.10 173.49 1bpi s PHE 45 N 2.77 1.25 -0.71 0.43 0.08 0.25 -4.97 117.98 117.08 1bpi s PHE 45 Ca 0.11 -0.32 0.25 0.00 0.12 0.00 0.00 56.93 57.10 1bpi s PHE 45 Cb -0.14 -0.76 0.63 0.00 -0.57 0.00 0.00 43.02 42.18 1bpi s PHE 45 CO -0.18 0.02 1.59 1.63 -0.10 0.00 0.00 175.22 178.18 1bpi n LYS 46 N 2.16 0.26 -3.97 0.44 5.02 -1.26 -0.50 118.16 120.32 1bpi n LYS 46 Ca -0.17 0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1bpi n LYS 46 Cb 0.55 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1bpi n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1bpi s SER 47 N -4.35 0.24 0.35 4.39 1.04 -1.26 -4.83 113.70 109.28 1bpi s SER 47 Ca 0.09 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 55.97 1bpi s SER 47 Cb 0.13 0.18 0.65 0.00 0.10 0.00 0.00 66.02 67.08 1bpi s SER 47 CO 0.65 -0.44 2.01 0.00 0.98 0.00 0.00 173.24 176.43 1bpi h ALA 48 N 3.96 1.55 -0.37 5.32 0.00 -1.98 -2.26 119.26 125.48 1bpi h ALA 48 Ca -0.32 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1bpi h ALA 48 Cb 1.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1bpi h ALA 48 CO 0.49 0.41 -0.13 0.93 0.00 0.00 0.00 179.25 180.95 1bpi h GLU 49 N 0.82 0.74 -0.28 0.00 3.07 -1.99 0.43 114.58 117.36 1bpi h GLU 49 Ca 0.22 -0.30 0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1bpi h GLU 49 Cb -0.07 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 1bpi h GLU 49 CO -0.04 0.91 0.03 -0.44 -1.40 0.00 0.00 179.01 178.06 1bpi h ASP 50 N 0.53 -0.04 -0.59 1.42 3.32 -1.93 -1.01 116.42 118.12 1bpi h ASP 50 Ca 0.09 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1bpi h ASP 50 Cb 0.66 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.26 1bpi h ASP 50 CO 0.04 0.02 0.36 0.00 -1.72 0.00 0.00 179.24 177.94 1bpi h MET 52 N 0.80 1.06 -0.31 0.00 1.85 -0.80 -0.33 114.93 117.21 1bpi h MET 52 Ca 0.21 -0.32 -0.11 0.00 -0.61 0.00 0.00 59.70 58.88 1bpi h MET 52 Cb -0.02 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.89 1bpi h MET 52 CO -0.04 1.02 -0.26 -0.09 -0.40 0.00 0.00 176.91 177.14 1bpi h ARG 53 N 0.98 0.62 0.19 0.39 2.43 -1.01 0.34 114.38 118.33 1bpi h ARG 53 Ca 0.18 -0.25 -0.33 0.00 -0.81 0.00 0.00 59.98 58.77 1bpi h ARG 53 Cb 0.51 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1bpi h ARG 53 CO 0.02 0.82 -1.61 1.15 -1.51 0.00 0.00 179.97 178.84 1bpi h THR 54 N 0.54 1.05 0.00 0.20 2.02 -1.21 -3.42 112.91 112.09 1bpi h THR 54 Ca 0.07 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.71 1bpi h THR 54 Cb 0.73 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1bpi h THR 54 CO 0.06 0.82 -0.30 0.00 0.37 0.00 0.00 175.52 176.47 1bpi n GLY 56 N 1.27 -0.78 1.53 0.00 0.00 0.10 -4.90 105.19 102.42 1bpi n GLY 56 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1bpi n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bpi n GLY 57 N 1.15 -2.55 0.00 -0.02 0.00 -1.26 -5.08 105.19 97.43 1bpi n GLY 57 Ca 0.19 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.44 1bpi n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32