#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4pti n PRO 2 N 0.00 1.26 0.01 2.89 -0.02 -1.26 -4.90 135.00 132.97 4pti n PRO 2 Ca 0.00 0.48 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 4pti n PRO 2 Cb 0.00 -2.53 0.52 0.00 -0.02 0.00 0.00 33.50 31.47 4pti n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 4pti h ASP 3 N 0.76 0.30 0.21 2.55 3.32 -2.02 -2.20 116.42 119.34 4pti h ASP 3 Ca -0.51 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 4pti h ASP 3 Cb 1.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.82 4pti h ASP 3 CO 0.54 0.20 0.00 2.19 -1.72 0.00 0.00 179.24 180.45 4pti h PHE 4 N 0.35 0.00 0.00 4.55 -5.15 -1.99 -1.51 116.94 113.18 4pti h PHE 4 Ca 0.19 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.96 4pti h PHE 4 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.47 4pti h PHE 4 CO -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.31 4pti n LEU 6 N -2.87 1.13 -4.81 0.00 4.77 -0.57 -4.52 117.00 110.13 4pti n LEU 6 Ca 0.01 -0.33 -0.34 0.00 -0.03 0.00 0.00 56.01 55.33 4pti n LEU 6 Cb 0.29 -0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 4pti n LEU 6 CO 0.25 0.20 0.68 -1.61 -1.33 0.00 0.00 177.39 175.58 4pti s GLU 7 N -2.25 4.09 0.71 3.23 2.02 -0.96 -4.93 118.70 120.60 4pti s GLU 7 Ca 0.32 1.23 -0.12 0.00 0.02 0.00 0.00 54.97 56.42 4pti s GLU 7 Cb 0.20 -2.19 0.02 0.00 0.10 0.00 0.00 34.13 32.26 4pti s GLU 7 CO 0.43 -0.17 1.08 -1.25 0.02 0.00 0.00 175.26 175.37 4pti s PRO 8 N -3.13 2.70 0.41 0.39 0.04 -1.26 -4.89 135.00 129.26 4pti s PRO 8 Ca 0.63 1.14 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 4pti s PRO 8 Cb -0.13 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 4pti s PRO 8 CO 0.16 -1.30 1.26 -1.25 0.04 0.00 0.00 177.00 175.92 4pti s PRO 9 N -4.70 3.95 -0.21 0.56 0.04 -1.26 -4.94 135.00 128.43 4pti s PRO 9 Ca 0.61 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.73 4pti s PRO 9 Cb -0.17 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.71 4pti s PRO 9 CO 0.51 -0.47 -0.15 -0.47 0.04 0.00 0.00 177.00 176.45 4pti s TYR 10 N -1.31 2.87 0.11 0.56 5.04 -1.26 -4.99 117.35 118.37 4pti s TYR 10 Ca 0.58 -1.87 -0.05 0.00 -2.44 0.00 0.00 57.07 53.29 4pti s TYR 10 Cb -0.36 -1.86 -0.15 0.00 0.35 0.00 0.00 41.96 39.93 4pti s TYR 10 CO 0.45 -0.82 1.25 1.15 -1.34 0.00 0.00 175.55 176.24 4pti h THR 11 N 6.32 1.42 0.00 4.34 2.02 -1.95 -3.44 112.91 121.62 4pti h THR 11 Ca -0.33 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.24 4pti h THR 11 Cb 1.10 2.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.09 4pti h THR 11 CO 0.54 0.78 0.00 0.61 0.37 0.00 0.00 175.52 177.82 4pti n GLY 12 N 1.13 -0.41 0.00 2.16 0.00 -1.26 -0.90 105.19 105.91 4pti n GLY 12 Ca -0.08 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.29 4pti n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 4pti n PRO 13 N -0.43 0.01 -3.13 1.61 -0.04 -1.26 -4.78 135.00 126.99 4pti n PRO 13 Ca 0.00 -0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.20 4pti n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 4pti n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 4pti n LYS 15 N -1.78 2.00 -1.67 0.00 4.76 -1.18 -4.30 118.16 116.00 4pti n LYS 15 Ca -0.02 -3.45 -0.29 0.00 -2.87 0.00 0.00 58.31 51.68 4pti n LYS 15 Cb 0.55 -1.78 0.15 0.00 -1.84 0.00 0.00 35.03 32.11 4pti n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 4pti s ALA 16 N -3.32 1.97 -0.55 7.82 0.00 -0.38 -5.03 121.76 122.27 4pti s ALA 16 Ca 0.42 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.66 4pti s ALA 16 Cb 0.38 -2.94 0.17 0.00 0.00 0.00 0.00 23.12 20.73 4pti s ALA 16 CO -0.04 -2.31 0.41 1.03 0.00 0.00 0.00 175.76 174.85 4pti s ARG 17 N -5.51 1.65 -0.33 0.00 0.52 -1.26 -4.27 118.95 109.75 4pti s ARG 17 Ca 0.66 -2.69 -0.07 0.00 -0.52 0.00 0.00 55.73 53.12 4pti s ARG 17 Cb -0.11 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.00 4pti s ARG 17 CO 0.52 -1.33 0.11 0.42 0.02 0.00 0.00 175.30 175.05 4pti s ILE 18 N -0.64 3.93 -0.21 1.52 1.01 -0.74 -4.99 121.20 121.08 4pti s ILE 18 Ca 0.28 -1.00 -0.29 0.00 0.00 0.00 0.00 60.65 59.64 4pti s ILE 18 Cb -0.01 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.28 4pti s ILE 18 CO -0.17 -0.13 1.13 -0.63 0.00 0.00 0.00 174.94 175.14 4pti s ILE 19 N 1.44 4.51 0.49 2.92 -1.09 -1.26 -0.15 121.20 128.07 4pti s ILE 19 Ca -0.00 1.82 0.02 0.00 -2.23 0.00 0.00 60.65 60.26 4pti s ILE 19 Cb -0.19 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.49 4pti s ILE 19 CO 0.03 -0.18 0.03 -0.13 -1.23 0.00 0.00 174.94 173.47 4pti s ARG 20 N 3.35 2.15 0.06 2.79 1.81 -0.46 -4.94 118.95 123.71 4pti s ARG 20 Ca 0.48 -2.37 0.06 0.00 -1.72 0.00 0.00 55.73 52.19 4pti s ARG 20 Cb -0.17 -1.32 -0.04 0.00 -0.45 0.00 0.00 34.95 32.97 4pti s ARG 20 CO 0.10 -0.41 -0.13 0.71 -0.68 0.00 0.00 175.30 174.89 4pti s TYR 21 N -2.95 2.69 0.16 -0.53 1.51 0.29 -0.69 117.35 117.83 4pti s TYR 21 Ca 0.08 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.03 4pti s TYR 21 Cb 0.01 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 4pti s TYR 21 CO 0.05 0.34 -0.12 -0.59 -1.11 0.00 0.00 175.55 174.12 4pti s PHE 22 N -1.04 1.43 -0.13 2.71 -0.12 0.09 -0.43 117.98 120.48 4pti s PHE 22 Ca 0.17 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 56.15 4pti s PHE 22 Cb -0.11 -0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 41.55 4pti s PHE 22 CO 0.09 0.18 0.69 -0.47 -0.05 0.00 0.00 175.22 175.66 4pti s TYR 23 N -3.12 3.48 -0.64 3.49 6.14 -1.26 -0.87 117.35 124.57 4pti s TYR 23 Ca 0.18 1.13 -0.15 0.00 0.64 0.00 0.00 57.07 58.86 4pti s TYR 23 Cb 0.01 -2.83 0.16 0.00 0.42 0.00 0.00 41.96 39.72 4pti s TYR 23 CO 0.03 -0.05 0.61 1.21 0.64 0.00 0.00 175.55 177.98 4pti s ASN 24 N 0.98 6.39 0.55 4.32 3.84 -0.10 -4.82 114.94 126.10 4pti s ASN 24 Ca 0.34 -2.08 0.22 0.00 0.21 0.00 0.00 52.86 51.55 4pti s ASN 24 Cb -0.17 -2.22 1.47 0.00 -0.55 0.00 0.00 41.25 39.79 4pti s ASN 24 CO 0.14 -0.78 2.15 0.00 -2.79 0.00 0.00 177.10 175.83 4pti h ALA 25 N 8.53 1.92 -0.20 1.71 0.00 -1.84 0.38 119.26 129.76 4pti h ALA 25 Ca -0.16 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 4pti h ALA 25 Cb 1.08 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 4pti h ALA 25 CO 0.95 -0.11 -0.44 0.87 0.00 0.00 0.00 179.25 180.51 4pti h LYS 26 N 0.00 0.50 0.00 0.00 1.57 -1.95 -3.15 116.57 113.54 4pti h LYS 26 Ca 0.04 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 4pti h LYS 26 Cb 0.18 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 4pti h LYS 26 CO -0.00 0.85 -0.95 0.00 -0.57 0.00 0.00 179.45 178.78 4pti h ALA 27 N 1.11 0.52 -0.01 3.86 0.00 -1.56 -3.48 119.26 119.70 4pti h ALA 27 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 4pti h ALA 27 Cb 0.94 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 4pti h ALA 27 CO 0.08 0.00 -0.00 0.41 0.00 0.00 0.00 179.25 179.74 4pti n GLY 28 N 1.19 0.47 3.72 0.00 0.00 0.12 -5.00 105.19 105.69 4pti n GLY 28 Ca 0.00 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 4pti n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 4pti s LEU 29 N -0.05 0.08 0.07 0.99 0.05 -1.17 -4.99 118.68 113.67 4pti s LEU 29 Ca 0.00 -0.85 -0.08 0.00 0.05 0.00 0.00 54.13 53.25 4pti s LEU 29 Cb 0.00 2.27 -0.05 0.00 -2.05 0.00 0.00 46.19 46.36 4pti s LEU 29 CO 0.00 -1.30 0.36 0.00 -0.55 0.00 0.00 176.35 174.87 4pti s GLN 31 N -2.02 1.14 0.37 0.00 -0.21 -0.04 -4.92 119.66 113.97 4pti s GLN 31 Ca 0.33 -1.51 -0.07 0.00 0.02 0.00 0.00 55.36 54.13 4pti s GLN 31 Cb -0.13 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.14 4pti s GLN 31 CO 0.19 0.06 0.68 0.95 -2.12 0.00 0.00 175.29 175.05 4pti s THR 32 N -3.30 4.91 0.16 -0.19 -4.23 -1.26 -0.74 115.64 110.99 4pti s THR 32 Ca 0.19 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 60.89 4pti s THR 32 Cb 0.03 -3.75 0.01 0.00 1.34 0.00 0.00 72.50 70.12 4pti s THR 32 CO 0.03 -0.48 0.36 0.72 -0.54 0.00 0.00 174.62 174.71 4pti s PHE 33 N -2.30 0.17 -0.37 3.99 -0.12 0.13 -4.90 117.98 114.58 4pti s PHE 33 Ca 0.47 -0.53 -0.16 0.00 -0.05 0.00 0.00 56.93 56.67 4pti s PHE 33 Cb -0.10 0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.40 4pti s PHE 33 CO 0.32 -0.76 0.39 0.08 -0.05 0.00 0.00 175.22 175.20 4pti s VAL 34 N -3.92 5.14 0.05 -2.49 1.01 -1.26 -1.35 120.40 117.58 4pti s VAL 34 Ca 0.12 -0.12 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 4pti s VAL 34 Cb 0.02 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 4pti s VAL 34 CO -0.03 -0.23 0.72 -0.47 0.00 0.00 0.00 175.10 175.10 4pti s TYR 35 N 2.05 3.74 -1.15 5.22 5.04 0.79 -4.66 117.35 128.39 4pti s TYR 35 Ca 0.12 1.42 0.27 0.00 -2.44 0.00 0.00 57.07 56.44 4pti s TYR 35 Cb -0.17 -2.75 1.24 0.00 0.35 0.00 0.00 41.96 40.63 4pti s TYR 35 CO 0.12 0.33 1.90 0.41 -1.34 0.00 0.00 175.55 176.97 4pti n GLY 36 N 2.30 -1.35 0.11 8.97 0.00 -0.08 -1.79 105.19 113.35 4pti n GLY 36 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.87 4pti n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4pti n GLY 37 N 1.22 0.82 3.18 -0.02 0.00 -1.26 -1.25 105.19 107.88 4pti n GLY 37 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 4pti n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4pti n ARG 39 N 0.42 -4.87 -1.10 0.00 5.12 -1.26 -4.27 116.66 110.70 4pti n ARG 39 Ca -0.17 0.81 -0.34 0.00 -1.93 0.00 0.00 57.85 56.22 4pti n ARG 39 Cb 0.60 -5.51 0.11 0.00 -1.16 0.00 0.00 32.46 26.50 4pti n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 4pti n ALA 40 N -3.60 -0.92 -2.15 7.54 0.00 -1.26 -4.87 120.51 115.25 4pti n ALA 40 Ca -0.09 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.80 4pti n ALA 40 Cb 0.60 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 4pti n ALA 40 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 4pti s LYS 41 N -3.62 2.58 0.37 0.00 1.02 -1.26 -5.05 119.74 113.78 4pti s LYS 41 Ca 0.68 -1.50 0.18 0.00 0.02 0.00 0.00 55.97 55.36 4pti s LYS 41 Cb -0.29 -2.49 0.64 0.00 -0.52 0.00 0.00 37.83 35.16 4pti s LYS 41 CO 0.56 -0.32 1.71 0.00 -0.92 0.00 0.00 175.35 176.38 4pti h ARG 42 N 0.81 0.00 -4.57 1.68 3.08 -1.97 -3.37 114.38 110.04 4pti h ARG 42 Ca -0.39 0.00 -0.71 0.00 0.07 0.00 0.00 59.98 58.95 4pti h ARG 42 Cb 1.28 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.24 4pti h ARG 42 CO 0.52 0.38 2.54 -1.71 -1.07 0.00 0.00 179.97 180.63 4pti n ASN 43 N -3.51 4.49 -3.15 7.04 5.15 -1.26 -4.74 115.26 119.28 4pti n ASN 43 Ca -0.00 -2.92 0.04 0.00 -0.60 0.00 0.00 54.58 51.11 4pti n ASN 43 Cb 0.53 -1.65 -0.00 0.00 -0.53 0.00 0.00 39.78 38.12 4pti n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 4pti s ASN 44 N 3.15 -1.38 0.18 1.20 3.84 -1.25 -4.56 114.94 116.11 4pti s ASN 44 Ca 0.48 0.29 0.10 0.00 0.21 0.00 0.00 52.86 53.94 4pti s ASN 44 Cb 0.09 1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 42.68 4pti s ASN 44 CO -0.02 -0.25 -0.21 -0.36 -2.79 0.00 0.00 177.10 173.47 4pti s PHE 45 N 2.86 2.05 -1.24 0.43 0.40 0.43 -4.95 117.98 117.96 4pti s PHE 45 Ca 0.14 -0.41 0.27 0.00 -0.60 0.00 0.00 56.93 56.33 4pti s PHE 45 Cb -0.10 -1.02 0.90 0.00 0.51 0.00 0.00 43.02 43.31 4pti s PHE 45 CO -0.24 0.41 1.67 1.63 0.70 0.00 0.00 175.22 179.39 4pti n LYS 46 N 0.31 0.26 -3.72 0.44 5.02 -1.26 -0.55 118.16 118.67 4pti n LYS 46 Ca -0.13 -0.11 -0.11 0.00 -2.02 0.00 0.00 58.31 55.95 4pti n LYS 46 Cb 0.56 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 4pti n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 4pti s SER 47 N -2.82 -0.13 0.42 4.39 1.04 -1.26 -4.81 113.70 110.53 4pti s SER 47 Ca 0.18 -0.33 0.14 0.00 0.48 0.00 0.00 55.95 56.41 4pti s SER 47 Cb 0.19 0.41 0.88 0.00 0.10 0.00 0.00 66.02 67.60 4pti s SER 47 CO 0.58 -0.75 1.92 0.00 0.98 0.00 0.00 173.24 175.98 4pti h ALA 48 N 2.72 1.57 -0.31 5.32 0.00 -1.97 -2.14 119.26 124.46 4pti h ALA 48 Ca -0.33 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.17 4pti h ALA 48 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 4pti h ALA 48 CO 0.48 0.33 -0.47 0.93 0.00 0.00 0.00 179.25 180.52 4pti h GLU 49 N 0.00 0.82 -0.32 0.00 3.07 -1.98 0.21 114.58 116.39 4pti h GLU 49 Ca -0.00 -0.48 -0.16 0.00 -0.50 0.00 0.00 59.36 58.23 4pti h GLU 49 Cb 0.46 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 4pti h GLU 49 CO 0.03 1.11 -0.42 -0.44 -1.40 0.00 0.00 179.01 177.89 4pti h ASP 50 N 0.65 0.85 -0.44 1.42 5.19 -1.93 -0.78 116.42 121.38 4pti h ASP 50 Ca 0.03 -0.40 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 4pti h ASP 50 Cb 1.06 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 4pti h ASP 50 CO 0.11 1.15 0.21 0.00 -3.12 0.00 0.00 179.24 177.59 4pti h MET 52 N 0.58 0.46 -0.74 0.00 2.86 -0.53 0.16 114.93 117.71 4pti h MET 52 Ca 0.15 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 4pti h MET 52 Cb 0.12 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 4pti h MET 52 CO -0.02 0.92 0.39 -0.09 1.06 0.00 0.00 176.91 179.17 4pti h ARG 53 N 0.35 1.03 0.20 1.72 2.43 -0.84 0.18 114.38 119.45 4pti h ARG 53 Ca -0.00 -0.12 -0.29 0.00 -0.81 0.00 0.00 59.98 58.75 4pti h ARG 53 Cb 1.13 -0.20 0.03 0.00 -0.42 0.00 0.00 29.97 30.50 4pti h ARG 53 CO 0.10 0.77 -1.34 1.15 -1.51 0.00 0.00 179.97 179.14 4pti h THR 54 N 1.04 1.26 -0.00 0.20 2.02 -1.00 -3.39 112.91 113.03 4pti h THR 54 Ca 0.26 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.85 4pti h THR 54 Cb 0.05 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 4pti h THR 54 CO -0.04 0.78 -0.34 0.00 0.37 0.00 0.00 175.52 176.29 4pti n GLY 56 N 1.08 -1.06 0.00 0.00 0.00 0.62 -4.80 105.19 101.03 4pti n GLY 56 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 4pti n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4pti n GLY 57 N 0.72 -1.36 0.00 -0.02 0.00 -1.26 -5.02 105.19 98.25 4pti n GLY 57 Ca 0.11 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.59 4pti n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32