#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tpi h ASP 3 N 0.00 0.40 0.26 3.54 1.82 -2.01 -3.17 116.42 117.26 2tpi h ASP 3 Ca 0.00 -0.50 -0.00 0.00 -0.39 0.00 0.00 57.03 56.14 2tpi h ASP 3 Cb 0.00 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 39.88 2tpi h ASP 3 CO 0.00 1.41 -0.00 2.19 -1.61 0.00 0.00 179.24 181.23 2tpi h PHE 4 N 0.07 0.00 0.00 0.28 -5.15 -1.99 -1.61 116.94 108.54 2tpi h PHE 4 Ca -0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.57 2tpi h PHE 4 Cb 2.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 38.17 2tpi h PHE 4 CO 0.06 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.37 2tpi n LEU 6 N -1.79 0.64 -4.79 0.00 4.77 -0.60 -4.58 117.00 110.65 2tpi n LEU 6 Ca 0.05 -0.11 -0.36 0.00 -0.03 0.00 0.00 56.01 55.55 2tpi n LEU 6 Cb 0.29 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2tpi n LEU 6 CO 0.22 0.15 0.63 -1.83 -1.33 0.00 0.00 177.39 175.24 2tpi s GLU 7 N -2.96 4.50 0.59 3.23 -1.05 -1.05 -4.92 118.70 117.04 2tpi s GLU 7 Ca 0.11 1.26 -0.19 0.00 -0.15 0.00 0.00 54.97 56.00 2tpi s GLU 7 Cb 0.17 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.12 2tpi s GLU 7 CO 0.71 0.24 1.24 -1.25 0.95 0.00 0.00 175.26 177.15 2tpi s PRO 8 N -2.22 2.98 0.30 -4.83 0.04 -1.26 -4.90 135.00 125.09 2tpi s PRO 8 Ca 0.51 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 2tpi s PRO 8 Cb -0.17 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 2tpi s PRO 8 CO 0.22 -1.23 1.59 -1.25 0.04 0.00 0.00 177.00 176.37 2tpi s PRO 9 N -3.24 4.12 -0.32 0.56 0.04 -1.26 -4.98 135.00 129.92 2tpi s PRO 9 Ca 0.77 2.58 -0.03 0.00 0.04 0.00 0.00 61.00 64.36 2tpi s PRO 9 Cb -0.33 -3.02 0.06 0.00 0.04 0.00 0.00 34.50 31.25 2tpi s PRO 9 CO 0.36 -0.63 0.05 -0.47 0.04 0.00 0.00 177.00 176.35 2tpi s TYR 10 N -0.09 3.32 0.14 0.56 6.04 -1.26 -4.98 117.35 121.07 2tpi s TYR 10 Ca 0.63 -1.90 -0.11 0.00 0.04 0.00 0.00 57.07 55.73 2tpi s TYR 10 Cb -0.48 -2.32 -0.06 0.00 -1.04 0.00 0.00 41.96 38.06 2tpi s TYR 10 CO 0.49 -0.82 1.42 1.15 -1.54 0.00 0.00 175.55 176.25 2tpi h THR 11 N 6.40 1.28 -1.24 4.34 2.02 -1.95 -3.44 112.91 120.33 2tpi h THR 11 Ca -0.20 -1.72 0.15 0.00 0.77 0.00 0.00 66.41 65.41 2tpi h THR 11 Cb 1.06 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2tpi h THR 11 CO 0.57 0.56 -0.22 0.61 0.37 0.00 0.00 175.52 177.41 2tpi n GLY 12 N 0.33 -1.59 0.10 2.16 0.00 -1.26 -1.28 105.19 103.65 2tpi n GLY 12 Ca -0.04 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 2tpi n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2tpi h PRO 13 N -0.51 0.12 -7.19 1.61 0.13 -1.94 -3.44 132.00 120.78 2tpi h PRO 13 Ca 0.01 -0.15 -0.50 0.00 -0.87 0.00 0.00 66.00 64.48 2tpi h PRO 13 Cb 0.51 0.05 0.09 0.00 0.13 0.00 0.00 31.00 31.77 2tpi h PRO 13 CO 0.01 0.97 0.38 0.00 -0.23 0.00 0.00 178.00 179.12 2tpi n LYS 15 N -2.22 3.07 -2.61 0.00 5.02 -1.15 -4.35 118.16 115.92 2tpi n LYS 15 Ca 0.10 -3.69 -0.25 0.00 -2.02 0.00 0.00 58.31 52.45 2tpi n LYS 15 Cb 0.52 -2.26 0.03 0.00 -0.02 0.00 0.00 35.03 33.30 2tpi n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2tpi s ALA 16 N -3.68 3.52 -0.68 7.82 0.00 0.15 -5.03 121.76 123.85 2tpi s ALA 16 Ca 0.57 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.67 2tpi s ALA 16 Cb 0.46 -2.38 0.22 0.00 0.00 0.00 0.00 23.12 21.42 2tpi s ALA 16 CO 0.02 -0.69 0.69 -2.13 0.00 0.00 0.00 175.76 173.64 2tpi n ARG 17 N -2.41 2.36 -3.64 0.00 0.00 -1.26 -3.89 116.66 107.82 2tpi n ARG 17 Ca 0.04 -4.61 -0.38 0.00 -0.00 0.00 0.00 57.85 52.90 2tpi n ARG 17 Cb 0.58 -2.28 -0.11 0.00 0.00 0.00 0.00 32.46 30.65 2tpi n ARG 17 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2tpi s ILE 18 N -2.14 5.02 -0.16 5.15 1.01 -0.40 -4.93 121.20 124.75 2tpi s ILE 18 Ca 0.35 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 2tpi s ILE 18 Cb 0.08 -3.38 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 2tpi s ILE 18 CO -0.06 0.27 1.03 -0.63 0.00 0.00 0.00 174.94 175.55 2tpi s ILE 19 N 1.72 4.72 0.37 2.92 -1.09 -1.26 -0.15 121.20 128.42 2tpi s ILE 19 Ca 0.07 2.02 0.02 0.00 -2.23 0.00 0.00 60.65 60.53 2tpi s ILE 19 Cb -0.16 -4.30 -0.01 0.00 -1.58 0.00 0.00 42.46 36.41 2tpi s ILE 19 CO 0.09 -0.08 0.09 0.54 -1.23 0.00 0.00 174.94 174.35 2tpi n ARG 20 N 5.61 0.73 -4.49 2.79 5.12 -0.71 -4.95 116.66 120.76 2tpi n ARG 20 Ca 0.10 -2.99 -0.30 0.00 -1.93 0.00 0.00 57.85 52.74 2tpi n ARG 20 Cb 0.47 1.38 -0.12 0.00 -1.16 0.00 0.00 32.46 33.03 2tpi n ARG 20 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2tpi s TYR 21 N -2.77 2.48 0.05 -1.55 1.51 -0.21 -1.72 117.35 115.15 2tpi s TYR 21 Ca 0.13 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 2tpi s TYR 21 Cb 0.01 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2tpi s TYR 21 CO 0.09 0.31 -0.04 -0.59 -1.11 0.00 0.00 175.55 174.21 2tpi s PHE 22 N -1.03 0.57 -0.13 2.71 -0.12 0.17 -0.45 117.98 119.70 2tpi s PHE 22 Ca 0.16 -0.88 -0.25 0.00 -0.05 0.00 0.00 56.93 55.90 2tpi s PHE 22 Cb -0.10 -0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 2tpi s PHE 22 CO 0.07 -0.27 0.81 -0.47 -0.05 0.00 0.00 175.22 175.32 2tpi s TYR 23 N -3.17 3.48 -0.61 3.49 6.14 -1.26 -0.85 117.35 124.56 2tpi s TYR 23 Ca 0.02 1.29 -0.15 0.00 0.64 0.00 0.00 57.07 58.88 2tpi s TYR 23 Cb 0.02 -2.98 0.15 0.00 0.42 0.00 0.00 41.96 39.58 2tpi s TYR 23 CO -0.06 -0.15 0.55 1.21 0.64 0.00 0.00 175.55 177.74 2tpi s ASN 24 N 1.07 6.28 0.42 4.32 3.84 0.25 -4.79 114.94 126.33 2tpi s ASN 24 Ca 0.39 -2.05 0.17 0.00 0.21 0.00 0.00 52.86 51.58 2tpi s ASN 24 Cb -0.17 -2.19 1.07 0.00 -0.55 0.00 0.00 41.25 39.41 2tpi s ASN 24 CO 0.15 -0.77 1.89 0.00 -2.79 0.00 0.00 177.10 175.58 2tpi h ALA 25 N 8.54 2.17 -0.11 1.71 0.00 -1.82 0.78 119.26 130.53 2tpi h ALA 25 Ca -0.19 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.55 2tpi h ALA 25 Cb 1.08 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2tpi h ALA 25 CO 0.95 -0.41 -0.69 -0.22 0.00 0.00 0.00 179.25 178.88 2tpi h LYS 26 N 0.41 0.49 -0.00 0.00 3.64 -1.93 -2.94 116.57 116.24 2tpi h LYS 26 Ca 0.42 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2tpi h LYS 26 Cb 1.01 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2tpi h LYS 26 CO -0.14 1.00 -0.64 0.00 -2.27 0.00 0.00 179.45 177.40 2tpi n ALA 27 N -2.53 3.89 -2.37 5.00 0.00 -1.08 -4.96 120.51 118.47 2tpi n ALA 27 Ca -0.04 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 2tpi n ALA 27 Cb 0.69 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2tpi n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2tpi n GLY 28 N 1.49 -0.18 3.55 0.00 0.00 0.24 -5.00 105.19 105.29 2tpi n GLY 28 Ca 0.05 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2tpi n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2tpi s LEU 29 N -4.07 0.26 -0.10 0.99 2.34 -1.00 -4.97 118.68 112.13 2tpi s LEU 29 Ca 0.04 -0.72 -0.25 0.00 0.06 0.00 0.00 54.13 53.27 2tpi s LEU 29 Cb -0.02 1.92 -0.03 0.00 -0.56 0.00 0.00 46.19 47.50 2tpi s LEU 29 CO 0.05 -1.09 0.77 0.00 -1.06 0.00 0.00 176.35 175.02 2tpi s GLN 31 N 1.32 1.47 0.27 0.00 -0.21 -0.03 -4.93 119.66 117.55 2tpi s GLN 31 Ca 0.39 -1.56 -0.15 0.00 0.02 0.00 0.00 55.36 54.05 2tpi s GLN 31 Cb -0.18 -1.60 -0.08 0.00 1.00 0.00 0.00 33.01 32.15 2tpi s GLN 31 CO 0.17 0.32 0.69 0.95 -2.12 0.00 0.00 175.29 175.29 2tpi s THR 32 N -2.14 4.71 0.21 -0.19 -4.23 -1.26 -0.66 115.64 112.08 2tpi s THR 32 Ca 0.22 0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 61.58 2tpi s THR 32 Cb -0.06 -3.68 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2tpi s THR 32 CO 0.10 -0.03 0.32 0.72 -0.54 0.00 0.00 174.62 175.19 2tpi s PHE 33 N -1.80 0.56 -0.23 3.99 -0.12 -0.70 -4.94 117.98 114.75 2tpi s PHE 33 Ca 0.49 -0.89 -0.18 0.00 -0.05 0.00 0.00 56.93 56.30 2tpi s PHE 33 Cb -0.12 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.16 2tpi s PHE 33 CO 0.19 -0.81 0.51 0.08 -0.05 0.00 0.00 175.22 175.13 2tpi s VAL 34 N -4.03 5.10 -0.18 -2.49 1.01 -1.26 -1.74 120.40 116.80 2tpi s VAL 34 Ca 0.24 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 2tpi s VAL 34 Cb 0.03 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2tpi s VAL 34 CO 0.06 0.14 -0.00 -0.47 0.00 0.00 0.00 175.10 174.83 2tpi s TYR 35 N 1.90 3.06 -1.19 5.22 5.04 0.79 -4.29 117.35 127.89 2tpi s TYR 35 Ca 0.22 -0.32 0.23 0.00 -2.44 0.00 0.00 57.07 54.76 2tpi s TYR 35 Cb -0.15 -2.04 1.07 0.00 0.35 0.00 0.00 41.96 41.19 2tpi s TYR 35 CO 0.09 -0.11 1.75 0.41 -1.34 0.00 0.00 175.55 176.35 2tpi n GLY 36 N 3.88 -1.18 0.00 8.97 0.00 -0.41 -1.27 105.19 115.18 2tpi n GLY 36 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2tpi n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tpi n GLY 37 N 0.78 0.59 3.38 -0.02 0.00 -1.26 0.32 105.19 108.99 2tpi n GLY 37 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2tpi n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tpi n ARG 39 N 0.28 -1.33 -1.38 0.00 1.74 -1.26 -4.44 116.66 110.26 2tpi n ARG 39 Ca -0.18 0.89 -0.45 0.00 -0.77 0.00 0.00 57.85 57.34 2tpi n ARG 39 Cb 0.61 -5.29 -0.01 0.00 -1.02 0.00 0.00 32.46 26.74 2tpi n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2tpi n ALA 40 N -1.21 -2.57 -2.02 7.54 0.00 -1.26 -4.95 120.51 116.04 2tpi n ALA 40 Ca -0.20 0.28 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 2tpi n ALA 40 Cb 0.64 -1.61 0.04 0.00 0.00 0.00 0.00 19.45 18.52 2tpi n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2tpi s LYS 41 N -1.11 2.47 0.39 0.00 1.02 -1.26 -5.01 119.74 116.23 2tpi s LYS 41 Ca 0.62 -1.36 0.20 0.00 0.02 0.00 0.00 55.97 55.45 2tpi s LYS 41 Cb -0.76 -2.65 0.72 0.00 -0.52 0.00 0.00 37.83 34.62 2tpi s LYS 41 CO 0.59 -0.68 1.74 0.00 -0.92 0.00 0.00 175.35 176.09 2tpi h ARG 42 N 0.28 0.00 -3.31 1.68 3.08 -1.95 -3.30 114.38 110.85 2tpi h ARG 42 Ca -0.35 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.00 2tpi h ARG 42 Cb 1.28 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 2tpi h ARG 42 CO 0.43 0.33 3.36 -1.71 -1.07 0.00 0.00 179.97 181.31 2tpi n ASN 43 N -3.47 6.89 -3.24 7.04 4.05 -1.26 -4.67 115.26 120.60 2tpi n ASN 43 Ca 0.00 -2.75 -0.02 0.00 0.45 0.00 0.00 54.58 52.26 2tpi n ASN 43 Cb 0.50 -1.56 -0.04 0.00 1.23 0.00 0.00 39.78 39.90 2tpi n ASN 43 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2tpi s ASN 44 N 2.21 -0.65 0.19 1.20 3.04 -1.24 -4.54 114.94 115.15 2tpi s ASN 44 Ca 0.59 0.42 0.10 0.00 0.04 0.00 0.00 52.86 54.01 2tpi s ASN 44 Cb 0.16 1.67 -0.04 0.00 -1.54 0.00 0.00 41.25 41.50 2tpi s ASN 44 CO -0.07 -0.29 -0.21 -0.36 -3.04 0.00 0.00 177.10 173.13 2tpi s PHE 45 N 2.71 2.08 -0.78 0.43 0.40 0.41 -4.94 117.98 118.28 2tpi s PHE 45 Ca 0.15 -0.41 0.24 0.00 -0.60 0.00 0.00 56.93 56.32 2tpi s PHE 45 Cb -0.14 -1.01 0.31 0.00 0.51 0.00 0.00 43.02 42.68 2tpi s PHE 45 CO -0.21 0.46 1.26 1.63 0.70 0.00 0.00 175.22 179.06 2tpi n LYS 46 N 0.13 0.17 -3.82 0.44 5.02 -1.26 -1.05 118.16 117.79 2tpi n LYS 46 Ca -0.12 0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.10 2tpi n LYS 46 Cb 0.57 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 2tpi n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2tpi s SER 47 N -3.62 0.04 0.27 4.39 1.04 -1.26 -4.85 113.70 109.70 2tpi s SER 47 Ca 0.07 -0.49 -0.01 0.00 0.48 0.00 0.00 55.95 56.00 2tpi s SER 47 Cb 0.15 0.34 0.45 0.00 0.10 0.00 0.00 66.02 67.06 2tpi s SER 47 CO 0.74 -0.68 1.86 0.00 0.98 0.00 0.00 173.24 176.14 2tpi h ALA 48 N 2.97 1.42 -0.61 5.32 0.00 -1.97 -1.49 119.26 124.89 2tpi h ALA 48 Ca -0.33 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2tpi h ALA 48 Cb 1.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2tpi h ALA 48 CO 0.52 0.35 0.20 0.93 0.00 0.00 0.00 179.25 181.25 2tpi h GLU 49 N 1.09 0.95 -0.53 0.00 4.39 -1.98 0.35 114.58 118.85 2tpi h GLU 49 Ca 0.45 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.93 2tpi h GLU 49 Cb 0.28 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2tpi h GLU 49 CO -0.21 0.84 0.24 -0.44 -1.16 0.00 0.00 179.01 178.28 2tpi h ASP 50 N 0.87 0.70 -0.41 1.42 3.32 -1.86 -0.51 116.42 119.96 2tpi h ASP 50 Ca 0.20 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2tpi h ASP 50 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2tpi h ASP 50 CO -0.01 0.64 0.24 0.00 -1.72 0.00 0.00 179.24 178.39 2tpi h MET 52 N 0.53 0.73 -0.52 0.00 -1.53 -0.13 0.26 114.93 114.27 2tpi h MET 52 Ca 0.14 -0.29 -0.11 0.00 -3.44 0.00 0.00 59.70 56.01 2tpi h MET 52 Cb 0.02 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 2tpi h MET 52 CO -0.03 0.89 -0.09 -0.09 0.14 0.00 0.00 176.91 177.73 2tpi h ARG 53 N 0.64 0.99 0.01 0.39 2.43 -0.70 -0.87 114.38 117.26 2tpi h ARG 53 Ca 0.09 -0.36 -0.28 0.00 -0.81 0.00 0.00 59.98 58.62 2tpi h ARG 53 Cb 0.73 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 2tpi h ARG 53 CO 0.06 1.04 -1.59 0.00 -1.51 0.00 0.00 179.97 177.96 2tpi h THR 54 N 0.85 1.00 0.00 0.20 1.03 -0.89 -3.41 112.91 111.69 2tpi h THR 54 Ca 0.14 -2.82 -0.19 0.00 -0.01 0.00 0.00 66.41 63.53 2tpi h THR 54 Cb 0.65 2.51 -0.04 0.00 -1.07 0.00 0.00 68.15 70.21 2tpi h THR 54 CO 0.04 0.60 -1.73 0.00 -0.01 0.00 0.00 175.52 174.42 2tpi n GLY 56 N 2.37 0.73 2.85 0.00 0.00 -0.33 -4.93 105.19 105.89 2tpi n GLY 56 Ca -0.18 0.78 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 2tpi n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2tpi s GLY 57 N 9.17 1.42 0.00 -0.02 0.00 -1.26 -4.93 107.32 111.70 2tpi s GLY 57 Ca 1.02 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 43.75 2tpi s GLY 57 CO 0.35 1.32 0.00 0.00 0.00 0.00 0.00 173.10 174.77