#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pft s VAL 2 N 0.00 5.24 -0.16 2.03 1.01 -1.26 -5.03 120.40 122.23 1pft s VAL 2 Ca 0.00 -2.91 -0.05 0.00 0.00 0.00 0.00 61.98 59.03 1pft s VAL 2 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1pft s VAL 2 CO 0.00 -1.04 -0.01 0.21 0.00 0.00 0.00 175.10 174.25 1pft s ASN 3 N 1.48 4.97 0.17 3.32 2.47 -1.26 -4.97 114.94 121.12 1pft s ASN 3 Ca 0.21 -0.09 0.00 0.00 0.42 0.00 0.00 52.86 53.40 1pft s ASN 3 Cb -0.12 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.86 1pft s ASN 3 CO -0.08 0.16 0.00 0.29 -3.72 0.00 0.00 177.10 173.75 1pft n LYS 4 N 3.59 0.00 -1.29 0.43 5.02 -1.26 -5.01 118.16 119.64 1pft n LYS 4 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 1pft n LYS 4 Cb 0.52 -0.17 -0.04 0.00 -0.02 0.00 0.00 35.03 35.32 1pft n LYS 4 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pft n GLN 5 N -3.28 -0.80 -4.27 1.97 6.02 -1.26 -5.01 117.38 110.74 1pft n GLN 5 Ca 0.00 0.83 -0.22 0.00 -0.01 0.00 0.00 57.00 57.60 1pft n GLN 5 Cb 0.00 -4.79 -0.12 0.00 1.02 0.00 0.00 30.24 26.35 1pft n GLN 5 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1pft s LYS 6 N -2.76 1.08 0.08 -1.09 -2.85 -1.26 -5.14 119.74 107.79 1pft s LYS 6 Ca 0.00 -1.15 -0.01 0.00 -1.00 0.00 0.00 55.97 53.81 1pft s LYS 6 Cb 0.00 -1.26 0.01 0.00 -2.06 0.00 0.00 37.83 34.52 1pft s LYS 6 CO 0.00 0.29 0.13 1.33 0.10 0.00 0.00 175.35 177.19 1pft n VAL 7 N 1.02 0.00 -3.35 1.79 0.24 -1.26 -4.91 118.33 111.86 1pft n VAL 7 Ca -0.19 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.39 1pft n VAL 7 Cb 0.54 0.22 -0.09 0.00 -1.47 0.00 0.00 33.84 33.04 1pft n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pft h PRO 9 N 8.54 0.00 0.00 0.00 0.11 -1.98 -2.17 132.00 136.50 1pft h PRO 9 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pft h PRO 9 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pft h PRO 9 CO 0.74 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.48 1pft h ALA 10 N 2.00 0.00 0.00 -0.75 0.00 -1.94 -3.42 119.26 115.16 1pft h ALA 10 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1pft h ALA 10 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pft h ALA 10 CO 0.00 0.05 -0.83 0.00 0.00 0.00 0.00 179.25 178.46 1pft n GLU 12 N -1.63 -3.32 -4.43 0.00 4.07 -0.81 -5.06 120.64 109.45 1pft n GLU 12 Ca 0.04 0.85 -0.25 0.00 -0.06 0.00 0.00 57.16 57.73 1pft n GLU 12 Cb 0.36 -5.77 -0.11 0.00 -0.06 0.00 0.00 31.44 25.86 1pft n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1pft s SER 13 N -3.65 3.41 0.00 4.31 0.01 -1.25 -4.97 113.70 111.56 1pft s SER 13 Ca 0.34 -0.94 0.12 0.00 1.31 0.00 0.00 55.95 56.78 1pft s SER 13 Cb -0.05 -0.26 0.09 0.00 0.21 0.00 0.00 66.02 66.01 1pft s SER 13 CO 0.74 0.06 0.87 0.00 0.41 0.00 0.00 173.24 175.33 1pft n ALA 14 N -0.13 2.52 -2.53 1.44 0.00 -1.26 0.65 120.51 121.20 1pft n ALA 14 Ca -0.09 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.34 1pft n ALA 14 Cb 0.58 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.55 1pft n ALA 14 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1pft s GLU 15 N -1.07 3.39 0.45 0.00 2.02 -1.26 -4.78 118.70 117.45 1pft s GLU 15 Ca 0.14 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 54.92 1pft s GLU 15 Cb 0.10 -3.91 -0.05 0.00 0.10 0.00 0.00 34.13 30.37 1pft s GLU 15 CO 0.17 -0.94 0.01 -0.51 0.02 0.00 0.00 175.26 174.00 1pft s LEU 16 N 2.81 2.62 -0.18 1.80 1.43 -1.26 -1.41 118.68 124.49 1pft s LEU 16 Ca 0.23 -1.49 -0.09 0.00 -1.03 0.00 0.00 54.13 51.75 1pft s LEU 16 Cb -0.14 -0.82 0.07 0.00 0.03 0.00 0.00 46.19 45.32 1pft s LEU 16 CO 0.18 -0.63 0.41 0.27 0.23 0.00 0.00 176.35 176.82 1pft s ILE 17 N -2.79 -0.16 -0.11 -0.59 -4.36 0.21 -4.67 121.20 108.73 1pft s ILE 17 Ca 0.22 0.11 -0.10 0.00 -0.26 0.00 0.00 60.65 60.63 1pft s ILE 17 Cb 0.06 -0.63 -0.05 0.00 1.25 0.00 0.00 42.46 43.10 1pft s ILE 17 CO 0.12 0.05 0.21 -0.47 0.24 0.00 0.00 174.94 175.08 1pft s TYR 18 N 1.67 3.58 -0.71 1.37 5.04 -1.26 -0.44 117.35 126.60 1pft s TYR 18 Ca -0.08 0.60 -0.05 0.00 -2.44 0.00 0.00 57.07 55.10 1pft s TYR 18 Cb -0.09 -2.10 0.18 0.00 0.35 0.00 0.00 41.96 40.30 1pft s TYR 18 CO -0.13 0.58 0.56 0.34 -1.34 0.00 0.00 175.55 175.56 1pft s ASP 19 N -0.63 5.65 0.30 4.32 2.15 0.27 -4.95 116.67 123.80 1pft s ASP 19 Ca 0.16 -2.94 0.21 0.00 0.43 0.00 0.00 52.55 50.41 1pft s ASP 19 Cb -0.13 -1.94 1.11 0.00 -0.30 0.00 0.00 42.92 41.66 1pft s ASP 19 CO 0.05 -0.39 1.64 -2.65 -0.17 0.00 0.00 175.17 173.65 1pft n PRO 20 N 3.43 0.14 0.04 4.34 -0.02 -1.26 0.97 135.00 142.64 1pft n PRO 20 Ca 0.11 0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 62.05 1pft n PRO 20 Cb 0.40 -1.93 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1pft n PRO 20 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pft h GLU 21 N 0.00 0.20 0.00 -0.52 5.08 -1.95 -3.34 114.58 114.05 1pft h GLU 21 Ca 0.00 -0.33 -0.14 0.00 -1.00 0.00 0.00 59.36 57.88 1pft h GLU 21 Cb 0.03 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1pft h GLU 21 CO 0.00 1.02 -2.10 0.54 -1.00 0.00 0.00 179.01 177.47 1pft n ARG 22 N -3.38 0.72 -2.30 2.33 1.74 -1.03 -4.99 116.66 109.74 1pft n ARG 22 Ca -0.17 -0.12 -0.03 0.00 -0.77 0.00 0.00 57.85 56.77 1pft n ARG 22 Cb 1.04 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 31.00 1pft n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pft n GLY 23 N 1.52 0.43 3.12 -0.13 0.00 0.27 -4.96 105.19 105.44 1pft n GLY 23 Ca -0.15 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.13 1pft n GLY 23 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pft s GLU 24 N -4.41 2.63 0.03 1.61 2.56 -0.35 -3.36 118.70 117.41 1pft s GLU 24 Ca 0.02 -0.71 -0.18 0.00 0.00 0.00 0.00 54.97 54.10 1pft s GLU 24 Cb -0.01 -2.15 -0.06 0.00 2.00 0.00 0.00 34.13 33.91 1pft s GLU 24 CO 0.10 -0.02 0.51 0.42 -0.56 0.00 0.00 175.26 175.71 1pft s ILE 25 N 0.85 4.88 0.37 -3.70 1.09 -0.85 0.98 121.20 124.81 1pft s ILE 25 Ca -0.08 1.08 0.04 0.00 -1.10 0.00 0.00 60.65 60.59 1pft s ILE 25 Cb -0.15 -3.84 -0.03 0.00 -1.06 0.00 0.00 42.46 37.38 1pft s ILE 25 CO -0.01 0.53 0.16 -0.69 -0.10 0.00 0.00 174.94 174.83 1pft s VAL 26 N -0.89 0.47 -0.06 2.92 1.01 0.41 0.95 120.40 125.20 1pft s VAL 26 Ca 0.27 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 1pft s VAL 26 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 1pft s VAL 26 CO 0.16 0.00 0.30 0.00 0.00 0.00 0.00 175.10 175.56 1pft n ALA 28 N 2.03 4.15 0.02 0.00 0.00 -0.50 -3.13 120.51 123.08 1pft n ALA 28 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 53.44 51.43 1pft n ALA 28 Cb 0.53 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1pft n ALA 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1pft n LYS 29 N 0.02 0.00 0.01 0.00 3.00 -1.26 -4.92 118.16 115.01 1pft n LYS 29 Ca 0.32 0.00 0.11 0.00 -0.00 0.00 0.00 58.31 58.74 1pft n LYS 29 Cb 1.18 -0.17 -0.07 0.00 0.00 0.00 0.00 35.03 35.97 1pft n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1pft n GLY 31 N 1.36 0.49 3.73 0.00 0.00 -1.18 -5.01 105.19 104.57 1pft n GLY 31 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1pft n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pft s TYR 32 N -2.13 3.08 1.13 1.61 5.04 -1.26 -4.54 117.35 120.28 1pft s TYR 32 Ca 0.00 0.83 -0.12 0.00 -2.44 0.00 0.00 57.07 55.33 1pft s TYR 32 Cb 0.00 -3.84 0.26 0.00 0.35 0.00 0.00 41.96 38.73 1pft s TYR 32 CO 0.00 -2.96 1.05 0.08 -1.34 0.00 0.00 175.55 172.38 1pft s VAL 33 N 0.73 2.04 0.00 3.14 1.01 -1.26 0.97 120.40 127.03 1pft s VAL 33 Ca 0.65 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1pft s VAL 33 Cb -0.42 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1pft s VAL 33 CO 0.35 -0.02 0.00 -0.38 0.00 0.00 0.00 175.10 175.06 1pft n ILE 34 N -4.81 0.00 -4.04 2.22 2.08 0.27 -4.79 119.36 110.29 1pft n ILE 34 Ca 0.04 0.03 -0.03 0.00 0.56 0.00 0.00 62.75 63.35 1pft n ILE 34 Cb 0.54 -0.75 -0.01 0.00 -0.75 0.00 0.00 39.64 38.66 1pft n ILE 34 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1pft n GLU 35 N -1.57 0.15 -3.41 0.38 4.71 -1.25 -5.02 120.64 114.63 1pft n GLU 35 Ca 0.00 -0.49 -0.23 0.00 -0.01 0.00 0.00 57.16 56.43 1pft n GLU 35 Cb 0.00 0.38 -0.10 0.00 -1.01 0.00 0.00 31.44 30.72 1pft n GLU 35 CO 0.00 0.00 0.00 -1.83 0.09 0.00 0.00 177.13 175.39 1pft s GLU 36 N -2.20 0.61 -0.32 3.49 -1.05 -1.26 -2.01 118.70 115.95 1pft s GLU 36 Ca 0.06 -1.12 -0.08 0.00 -0.15 0.00 0.00 54.97 53.67 1pft s GLU 36 Cb 0.00 -1.01 0.19 0.00 -0.44 0.00 0.00 34.13 32.87 1pft s GLU 36 CO 0.04 -1.21 0.99 0.54 0.95 0.00 0.00 175.26 176.57 1pft s ASN 37 N 1.21 -0.51 -0.22 0.83 2.20 -1.21 -4.55 114.94 112.69 1pft s ASN 37 Ca 0.18 -0.13 -0.07 0.00 -0.94 0.00 0.00 52.86 51.90 1pft s ASN 37 Cb -0.19 0.91 -0.03 0.00 -2.00 0.00 0.00 41.25 39.94 1pft s ASN 37 CO -0.01 -0.07 0.07 0.27 -2.94 0.00 0.00 177.10 174.41 1pft s ILE 38 N 2.34 4.48 -1.41 0.54 -4.36 -1.26 -4.26 121.20 117.28 1pft s ILE 38 Ca 0.19 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 1pft s ILE 38 Cb 0.00 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.65 1pft s ILE 38 CO -0.18 0.38 0.00 2.30 0.24 0.00 0.00 174.94 177.69 1pft n ILE 39 N 4.37 -0.03 -3.24 8.37 -0.00 -1.26 -4.82 119.36 122.75 1pft n ILE 39 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 1pft n ILE 39 Cb 0.52 -1.30 0.00 0.00 -0.00 0.00 0.00 39.64 38.85 1pft n ILE 39 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1pft n ASP 40 N -0.58 1.71 0.00 7.28 -0.08 -1.26 -5.12 116.55 118.50 1pft n ASP 40 Ca -0.13 -0.39 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 1pft n ASP 40 Cb 0.45 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.91 1pft n ASP 40 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1pft n MET 41 N -0.06 0.00 -0.44 -0.67 1.56 -1.26 -5.00 117.12 111.25 1pft n MET 41 Ca 0.00 0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1pft n MET 41 Cb 0.00 -0.39 0.00 0.00 2.15 0.00 0.00 33.22 34.98 1pft n MET 41 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pft n GLY 42 N 2.34 -0.52 3.45 -5.12 0.00 -1.26 -4.92 105.19 99.16 1pft n GLY 42 Ca 0.00 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 1pft n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pft n PRO 43 N 0.00 -2.63 -2.97 1.61 -0.04 -1.26 -4.89 135.00 124.82 1pft n PRO 43 Ca 0.00 -0.74 -0.19 0.00 -0.04 0.00 0.00 63.50 62.53 1pft n PRO 43 Cb 0.00 -2.15 0.04 0.00 -0.04 0.00 0.00 33.50 31.35 1pft n PRO 43 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1pft s GLU 44 N -4.36 2.53 0.42 0.54 2.56 -1.26 -4.98 118.70 114.14 1pft s GLU 44 Ca 0.69 -1.36 0.00 0.00 0.00 0.00 0.00 54.97 54.29 1pft s GLU 44 Cb -0.26 -2.67 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1pft s GLU 44 CO 0.66 -0.61 0.00 0.91 -0.56 0.00 0.00 175.26 175.65 1pft n TRP 45 N -2.11 -2.81 -2.76 5.30 7.02 -1.26 -4.98 117.44 115.85 1pft n TRP 45 Ca 0.12 1.54 -0.07 0.00 -1.02 0.00 0.00 57.50 58.06 1pft n TRP 45 Cb 0.60 -2.53 0.01 0.00 -2.42 0.00 0.00 31.31 26.97 1pft n TRP 45 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1pft n ARG 46 N -2.93 -2.16 -3.59 -0.99 5.12 -1.26 -5.04 116.66 105.81 1pft n ARG 46 Ca -0.03 1.97 -0.04 0.00 -1.93 0.00 0.00 57.85 57.82 1pft n ARG 46 Cb 0.40 -5.37 -0.02 0.00 -1.16 0.00 0.00 32.46 26.31 1pft n ARG 46 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pft s ALA 47 N -2.51 -2.07 -0.19 7.54 0.00 -1.26 -5.05 121.76 118.22 1pft s ALA 47 Ca 0.22 1.46 0.06 0.00 0.00 0.00 0.00 51.96 53.70 1pft s ALA 47 Cb -0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.96 1pft s ALA 47 CO 0.71 -0.65 0.21 0.34 0.00 0.00 0.00 175.76 176.37 1pft n PHE 48 N -0.14 0.00 -3.17 0.00 7.35 -1.26 -4.81 117.46 115.44 1pft n PHE 48 Ca -0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.24 1pft n PHE 48 Cb 0.59 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.37 1pft n PHE 48 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1pft n ASP 49 N -1.33 5.45 0.00 -2.13 5.68 -1.26 -5.30 116.55 117.67 1pft n ASP 49 Ca 0.00 -3.04 0.00 0.00 -0.50 0.00 0.00 54.79 51.26 1pft n ASP 49 Cb 0.11 -1.44 0.00 0.00 -1.14 0.00 0.00 41.12 38.65 1pft n ASP 49 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87