#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fle s LYS 12 N 0.00 0.94 0.16 -0.78 0.00 -1.26 -4.91 119.74 113.88 1fle s LYS 12 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 55.97 55.55 1fle s LYS 12 Cb 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 37.83 37.00 1fle s LYS 12 CO 0.00 0.12 1.64 -1.35 0.00 0.00 0.00 175.35 175.76 1fle h PRO 13 N 6.36 0.93 0.00 1.78 0.11 -2.00 -3.46 132.00 135.71 1fle h PRO 13 Ca -0.33 -0.26 -0.26 0.00 0.11 0.00 0.00 66.00 65.26 1fle h PRO 13 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1fle h PRO 13 CO 0.49 0.91 -0.10 0.41 -0.21 0.00 0.00 178.00 179.49 1fle n GLY 14 N -0.50 2.66 3.94 -0.55 0.00 -1.26 -5.08 105.19 104.40 1fle n GLY 14 Ca 0.02 -2.22 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 1fle n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fle s SER 15 N -2.56 6.36 0.33 1.61 0.01 -0.68 -4.80 113.70 113.97 1fle s SER 15 Ca 0.18 0.34 -0.16 0.00 1.31 0.00 0.00 55.95 57.62 1fle s SER 15 Cb -0.01 -1.98 -0.09 0.00 0.21 0.00 0.00 66.02 64.14 1fle s SER 15 CO 0.12 -0.08 0.76 0.00 0.41 0.00 0.00 173.24 174.45 1fle s PRO 17 N -2.96 3.61 0.19 0.00 0.04 -1.26 -4.87 135.00 129.75 1fle s PRO 17 Ca 0.55 1.27 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 1fle s PRO 17 Cb -0.10 -2.07 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 1fle s PRO 17 CO 0.17 -0.58 0.76 0.96 0.04 0.00 0.00 177.00 178.36 1fle s ILE 18 N -2.22 4.43 -0.20 0.56 -4.36 -1.26 -4.88 121.20 113.27 1fle s ILE 18 Ca 0.65 1.58 0.01 0.00 -0.26 0.00 0.00 60.65 62.63 1fle s ILE 18 Cb -0.16 -4.04 0.04 0.00 1.25 0.00 0.00 42.46 39.55 1fle s ILE 18 CO 0.28 0.41 -0.13 -0.63 0.24 0.00 0.00 174.94 175.11 1fle s ILE 19 N -1.28 1.78 -1.02 8.37 1.09 -1.26 -5.03 121.20 123.85 1fle s ILE 19 Ca 0.38 -1.03 0.14 0.00 -1.10 0.00 0.00 60.65 59.04 1fle s ILE 19 Cb -0.21 -1.79 0.61 0.00 -1.06 0.00 0.00 42.46 40.01 1fle s ILE 19 CO 0.24 0.25 1.48 -0.11 -0.10 0.00 0.00 174.94 176.70 1fle n LEU 20 N 4.65 4.20 -4.35 2.97 0.00 -1.26 -4.90 117.00 118.30 1fle n LEU 20 Ca -0.16 -2.12 -0.28 0.00 0.00 0.00 0.00 56.01 53.45 1fle n LEU 20 Cb 0.47 -0.55 -0.13 0.00 0.00 0.00 0.00 43.42 43.20 1fle n LEU 20 CO 0.21 0.65 -0.56 0.27 0.00 0.00 0.00 177.39 177.97 1fle s ILE 21 N -1.95 2.10 -0.05 1.96 -4.36 -1.26 -5.14 121.20 112.50 1fle s ILE 21 Ca 0.42 -1.58 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 1fle s ILE 21 Cb 0.29 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 42.17 1fle s ILE 21 CO 0.18 0.15 -0.09 -0.13 0.24 0.00 0.00 174.94 175.29 1fle s ARG 22 N -1.75 1.25 0.58 0.37 0.52 -1.26 -4.37 118.95 114.29 1fle s ARG 22 Ca 0.12 -0.30 -0.20 0.00 -0.52 0.00 0.00 55.73 54.83 1fle s ARG 22 Cb -0.10 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1fle s ARG 22 CO 0.04 0.03 1.25 0.00 0.02 0.00 0.00 175.30 176.64 1fle n ALA 24 N -1.38 5.44 -2.49 0.00 0.00 -1.26 -4.81 120.51 116.01 1fle n ALA 24 Ca 0.13 -1.85 -0.25 0.00 0.00 0.00 0.00 53.44 51.46 1fle n ALA 24 Cb 0.48 -1.60 -0.15 0.00 0.00 0.00 0.00 19.45 18.18 1fle n ALA 24 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1fle s MET 25 N -1.40 1.43 0.17 0.00 -2.45 -1.26 -5.14 119.30 110.65 1fle s MET 25 Ca 0.38 -0.63 -0.29 0.00 -1.25 0.00 0.00 55.69 53.89 1fle s MET 25 Cb 0.26 -1.38 -0.07 0.00 1.25 0.00 0.00 34.83 34.88 1fle s MET 25 CO -0.06 0.38 0.93 -0.51 1.05 0.00 0.00 175.02 176.81 1fle s LEU 26 N -0.42 4.58 -1.13 4.11 1.02 -1.26 -4.31 118.68 121.27 1fle s LEU 26 Ca 0.07 1.84 -0.10 0.00 0.02 0.00 0.00 54.13 55.95 1fle s LEU 26 Cb -0.07 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 1fle s LEU 26 CO -0.01 0.07 0.85 0.59 0.02 0.00 0.00 176.35 177.87 1fle n ASN 27 N 2.07 -5.16 -4.76 2.29 5.03 -1.26 -4.95 115.26 108.52 1fle n ASN 27 Ca -0.01 -0.84 -0.35 0.00 0.87 0.00 0.00 54.58 54.26 1fle n ASN 27 Cb 0.48 -4.37 0.03 0.00 -1.02 0.00 0.00 39.78 34.90 1fle n ASN 27 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1fle s PRO 28 N -5.25 3.04 0.23 3.52 0.04 -1.26 -4.95 135.00 130.37 1fle s PRO 28 Ca 0.38 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1fle s PRO 28 Cb -0.09 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1fle s PRO 28 CO 0.79 -1.11 1.51 -1.25 0.04 0.00 0.00 177.00 176.98 1fle s PRO 29 N -3.45 4.23 -0.04 0.56 0.04 -1.26 -4.70 135.00 130.38 1fle s PRO 29 Ca 0.74 2.36 -0.14 0.00 0.04 0.00 0.00 61.00 64.00 1fle s PRO 29 Cb -0.27 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1fle s PRO 29 CO 0.33 -0.51 0.38 -0.80 0.04 0.00 0.00 177.00 176.44 1fle s ASN 30 N 0.63 6.73 0.00 6.66 0.01 -1.26 -4.11 114.94 123.59 1fle s ASN 30 Ca 0.63 0.86 0.18 0.00 -0.71 0.00 0.00 52.86 53.82 1fle s ASN 30 Cb -0.43 -2.23 0.19 0.00 0.41 0.00 0.00 41.25 39.19 1fle s ASN 30 CO 0.40 0.27 1.12 0.54 -1.51 0.00 0.00 177.10 177.92 1fle n ARG 31 N 2.22 1.68 -3.60 -0.60 1.74 0.23 -4.91 116.66 113.42 1fle n ARG 31 Ca -0.13 -1.69 -0.04 0.00 -0.77 0.00 0.00 57.85 55.22 1fle n ARG 31 Cb 0.52 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.59 1fle n ARG 31 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1fle n LEU 33 N -0.27 0.96 -4.39 0.00 7.99 -1.26 -4.72 117.00 115.31 1fle n LEU 33 Ca -0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.68 1fle n LEU 33 Cb 0.60 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.79 1fle n LEU 33 CO 0.11 0.16 -0.55 -0.54 -1.51 0.00 0.00 177.39 175.06 1fle s LYS 34 N -1.66 1.42 0.59 3.23 1.02 -1.26 -4.94 119.74 118.14 1fle s LYS 34 Ca 0.00 -1.41 0.29 0.00 0.02 0.00 0.00 55.97 54.87 1fle s LYS 34 Cb 0.00 -1.80 1.63 0.00 -0.52 0.00 0.00 37.83 37.14 1fle s LYS 34 CO 0.00 0.41 2.07 -0.44 -0.92 0.00 0.00 175.35 176.47 1fle h ASP 35 N 3.59 0.00 0.59 2.83 5.19 -1.84 0.38 116.42 127.17 1fle h ASP 35 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1fle h ASP 35 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 1fle h ASP 35 CO 0.43 0.00 0.00 1.07 -3.12 0.00 0.00 179.24 177.62 1fle n THR 36 N -3.77 0.42 1.52 0.35 5.66 -1.26 -1.67 114.28 115.52 1fle n THR 36 Ca 0.02 0.11 0.14 0.00 -3.05 0.00 0.00 64.05 61.27 1fle n THR 36 Cb 0.37 -0.74 0.55 0.00 -1.55 0.00 0.00 70.33 68.96 1fle n THR 36 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1fle n ASP 37 N -1.40 1.35 -4.32 1.09 8.00 0.13 -4.79 116.55 116.62 1fle n ASP 37 Ca 0.08 -1.48 -0.32 0.00 0.71 0.00 0.00 54.79 53.78 1fle n ASP 37 Cb 0.22 -0.02 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 1fle n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fle s PRO 39 N -0.29 3.27 3.73 0.00 0.04 -1.26 -4.27 135.00 136.23 1fle s PRO 39 Ca 0.01 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1fle s PRO 39 Cb -0.13 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1fle s PRO 39 CO 0.03 -0.87 0.00 0.41 0.04 0.00 0.00 177.00 176.60 1fle n GLY 40 N -0.53 2.71 2.79 0.56 0.00 -1.26 -2.41 105.19 107.05 1fle n GLY 40 Ca 0.10 0.33 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 1fle n GLY 40 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1fle n ILE 41 N 0.00 4.12 -1.67 -0.61 -5.35 -1.26 -4.86 119.36 109.73 1fle n ILE 41 Ca 0.00 -3.94 -0.39 0.00 -0.27 0.00 0.00 62.75 58.15 1fle n ILE 41 Cb 0.00 -2.43 -0.03 0.00 -1.74 0.00 0.00 39.64 35.45 1fle n ILE 41 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1fle s LYS 42 N 1.18 2.54 -0.18 6.28 0.00 -1.01 -4.40 119.74 124.14 1fle s LYS 42 Ca 0.43 1.48 -0.01 0.00 0.00 0.00 0.00 55.97 57.88 1fle s LYS 42 Cb 0.12 -4.47 0.05 0.00 0.00 0.00 0.00 37.83 33.52 1fle s LYS 42 CO -0.03 -2.78 -0.03 0.15 0.00 0.00 0.00 175.35 172.66 1fle s LYS 43 N 7.38 1.30 -0.19 1.78 -0.14 -1.08 -4.71 119.74 124.08 1fle s LYS 43 Ca 0.93 -0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 54.71 1fle s LYS 43 Cb -0.21 -2.12 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 1fle s LYS 43 CO 0.28 -0.50 0.84 0.00 -0.76 0.00 0.00 175.35 175.21 1fle s GLU 46 N -4.12 3.82 0.00 0.00 8.01 -1.26 -0.70 118.70 124.45 1fle s GLU 46 Ca 0.34 0.67 0.00 0.00 0.01 0.00 0.00 54.97 55.99 1fle s GLU 46 Cb 0.07 -3.84 0.00 0.00 -4.31 0.00 0.00 34.13 26.05 1fle s GLU 46 CO 0.09 -1.14 0.00 0.41 0.01 0.00 0.00 175.26 174.63 1fle n GLY 47 N 4.49 1.09 0.20 -1.39 0.00 -0.00 -4.64 105.19 104.94 1fle n GLY 47 Ca 0.10 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.28 1fle n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1fle h SER 48 N 0.00 0.00 -0.77 1.61 4.64 -1.94 -3.39 113.55 113.71 1fle h SER 48 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1fle h SER 48 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1fle h SER 48 CO 0.00 0.24 -0.74 0.00 -0.87 0.00 0.00 176.83 175.46 1fle n GLY 50 N 0.29 1.04 3.76 0.00 0.00 -1.26 -4.31 105.19 104.69 1fle n GLY 50 Ca 0.13 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 1fle n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fle s MET 51 N -1.21 4.48 0.17 1.61 1.00 -1.26 -0.82 119.30 123.27 1fle s MET 51 Ca 0.00 1.03 -0.03 0.00 0.00 0.00 0.00 55.69 56.69 1fle s MET 51 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 34.83 31.47 1fle s MET 51 CO 0.00 0.37 0.16 0.00 0.00 0.00 0.00 175.02 175.55 1fle s ALA 52 N -0.35 0.73 -0.45 3.03 0.00 0.13 0.76 121.76 125.61 1fle s ALA 52 Ca 0.37 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 1fle s ALA 52 Cb -0.21 1.09 0.03 0.00 0.00 0.00 0.00 23.12 24.03 1fle s ALA 52 CO 0.23 -0.59 0.73 0.00 0.00 0.00 0.00 175.76 176.13 1fle s PHE 54 N 3.10 2.92 -0.10 0.00 0.40 0.82 -4.89 117.98 120.22 1fle s PHE 54 Ca 0.27 -0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.19 1fle s PHE 54 Cb -0.13 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1fle s PHE 54 CO 0.21 0.57 0.75 0.08 0.70 0.00 0.00 175.22 177.52 1fle s VAL 55 N -2.21 4.99 0.29 -0.44 1.01 -1.26 -2.64 120.40 120.14 1fle s VAL 55 Ca 0.32 1.51 -0.05 0.00 0.00 0.00 0.00 61.98 63.76 1fle s VAL 55 Cb -0.07 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.30 1fle s VAL 55 CO 0.22 0.17 0.22 -0.81 0.00 0.00 0.00 175.10 174.91 1fle n PRO 56 N 4.32 -1.89 0.00 2.72 -0.04 -1.26 -4.69 135.00 134.17 1fle n PRO 56 Ca 0.01 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 1fle n PRO 56 Cb 0.50 -0.38 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1fle n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50