#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1niy s LEU 3 N -3.06 4.44 1.15 0.00 1.43 0.79 -4.73 118.68 118.69 1niy s LEU 3 Ca 0.28 1.31 -0.18 0.00 -1.03 0.00 0.00 54.13 54.51 1niy s LEU 3 Cb 0.03 -3.07 0.26 0.00 0.03 0.00 0.00 46.19 43.44 1niy s LEU 3 CO 0.08 0.07 1.15 -0.83 0.23 0.00 0.00 176.35 177.05 1niy s GLY 4 N -0.19 1.62 0.23 -3.19 0.00 -1.26 -1.45 107.32 103.08 1niy s GLY 4 Ca 0.34 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 1niy s GLY 4 CO 0.20 -0.11 1.34 -0.12 0.00 0.00 0.00 173.10 174.40 1niy s PHE 5 N -3.17 3.18 -0.21 1.90 5.36 -1.26 -3.30 117.98 120.48 1niy s PHE 5 Ca 0.71 1.21 -0.01 0.00 -0.96 0.00 0.00 56.93 57.88 1niy s PHE 5 Cb -0.09 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.93 1niy s PHE 5 CO 0.55 -2.04 0.18 0.41 -1.46 0.00 0.00 175.22 172.86 1niy n GLY 6 N 2.09 0.64 3.15 13.12 0.00 -0.12 -4.93 105.19 119.14 1niy n GLY 6 Ca 0.05 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.31 1niy n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1niy s LYS 7 N -5.00 1.63 -0.04 1.61 2.36 -1.21 -4.83 119.74 114.26 1niy s LYS 7 Ca 0.07 -0.62 -0.35 0.00 -2.55 0.00 0.00 55.97 52.52 1niy s LYS 7 Cb -0.03 -1.48 -0.13 0.00 -1.05 0.00 0.00 37.83 35.14 1niy s LYS 7 CO 0.11 0.31 1.79 0.41 1.55 0.00 0.00 175.35 179.52 1niy n GLY 8 N 2.90 1.31 3.16 5.54 0.00 -1.26 -1.50 105.19 115.34 1niy n GLY 8 Ca -0.17 0.82 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 1niy n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1niy s ASN 10 N -3.13 5.04 0.25 0.00 -0.87 -1.26 -4.39 114.94 110.58 1niy s ASN 10 Ca 0.31 0.06 0.06 0.00 -1.57 0.00 0.00 52.86 51.73 1niy s ASN 10 Cb 0.00 -1.35 0.28 0.00 -0.02 0.00 0.00 41.25 40.15 1niy s ASN 10 CO 0.22 0.35 1.57 1.55 -2.57 0.00 0.00 177.10 178.23 1niy h PRO 11 N 4.99 0.18 0.17 -0.60 0.13 -1.87 0.22 132.00 135.21 1niy h PRO 11 Ca -0.50 -0.12 -0.30 0.00 -0.87 0.00 0.00 66.00 64.21 1niy h PRO 11 Cb 1.18 0.02 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1niy h PRO 11 CO 0.54 0.73 -1.31 0.66 -0.23 0.00 0.00 178.00 178.39 1niy h SER 12 N 0.13 0.63 0.16 1.44 4.64 -1.96 -3.35 113.55 115.24 1niy h SER 12 Ca -0.01 -0.65 -0.27 0.00 -0.47 0.00 0.00 61.79 60.39 1niy h SER 12 Cb 1.11 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1niy h SER 12 CO 0.09 1.50 -1.27 0.78 -0.87 0.00 0.00 176.83 177.06 1niy h ASN 13 N 0.13 0.53 -5.73 4.97 4.21 -1.98 -3.49 115.58 114.22 1niy h ASN 13 Ca -0.18 -0.91 -0.13 0.00 1.21 0.00 0.00 56.30 56.29 1niy h ASN 13 Cb 2.01 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 39.05 1niy h ASN 13 CO 0.23 1.58 -0.52 -0.67 -1.29 0.00 0.00 177.43 176.77 1niy n ASP 14 N -3.91 -7.07 -1.96 5.81 -0.08 0.78 -4.91 116.55 105.22 1niy n ASP 14 Ca -0.20 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 52.97 1niy n ASP 14 Cb 0.93 -4.24 0.27 0.00 2.34 0.00 0.00 41.12 40.42 1niy n ASP 14 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1niy n GLN 15 N -1.16 3.24 -1.60 -0.67 7.27 -1.26 -4.97 117.38 118.23 1niy n GLN 15 Ca -0.02 -3.08 -0.31 0.00 0.07 0.00 0.00 57.00 53.67 1niy n GLN 15 Cb 0.54 -2.17 0.06 0.00 2.41 0.00 0.00 30.24 31.08 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1niy h LYS 18 N 9.59 0.10 -0.69 0.00 1.57 -1.93 -2.60 116.57 122.61 1niy h LYS 18 Ca -0.32 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1niy h LYS 18 Cb 1.14 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 1niy h LYS 18 CO 0.99 0.61 0.45 0.77 -0.57 0.00 0.00 179.45 181.70 1niy h SER 19 N 0.08 0.72 -0.47 0.86 0.02 -1.96 -1.23 113.55 111.57 1niy h SER 19 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1niy h SER 19 Cb 0.98 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1niy h SER 19 CO 0.08 0.50 0.04 -0.24 -1.14 0.00 0.00 176.83 176.07 1niy n SER 20 N -4.45 4.56 -3.51 3.07 2.88 -1.18 -4.94 113.62 110.04 1niy n SER 20 Ca 0.08 -2.76 -0.21 0.00 -1.33 0.00 0.00 58.87 54.65 1niy n SER 20 Cb 0.11 -0.65 0.03 0.00 -0.75 0.00 0.00 64.21 62.95 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1niy n ASN 21 N 0.37 -5.97 -4.28 -3.46 3.02 -0.47 -4.69 115.26 99.79 1niy n ASN 21 Ca 0.23 -0.76 -0.32 0.00 -0.03 0.00 0.00 54.58 53.70 1niy n ASN 21 Cb 1.02 -3.73 -0.16 0.00 -0.61 0.00 0.00 39.78 36.29 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1niy s LEU 22 N -5.54 2.31 0.04 3.41 1.43 -0.99 -0.64 118.68 118.70 1niy s LEU 22 Ca 0.29 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1niy s LEU 22 Cb -0.09 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1niy s LEU 22 CO 0.83 0.17 -0.19 0.68 0.23 0.00 0.00 176.35 178.07 1niy s VAL 23 N 0.29 1.51 0.16 -1.59 -7.23 -0.02 -4.53 120.40 108.99 1niy s VAL 23 Ca -0.15 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.57 1niy s VAL 23 Cb -0.17 -1.33 -0.08 0.00 0.56 0.00 0.00 36.38 35.37 1niy s VAL 23 CO 0.07 0.15 1.25 0.00 -0.31 0.00 0.00 175.10 176.27 1niy s SER 25 N 0.49 4.90 -0.25 0.00 0.15 0.42 -4.81 113.70 114.60 1niy s SER 25 Ca 0.56 0.09 -0.10 0.00 0.70 0.00 0.00 55.95 57.20 1niy s SER 25 Cb -0.34 -0.79 -0.11 0.00 -1.71 0.00 0.00 66.02 63.07 1niy s SER 25 CO 0.35 -1.46 -0.30 0.54 1.20 0.00 0.00 173.24 173.57 1niy n ARG 26 N -2.66 0.54 -0.06 5.44 5.12 -1.26 -2.90 116.66 120.87 1niy n ARG 26 Ca 0.09 0.22 -0.15 0.00 -1.93 0.00 0.00 57.85 56.08 1niy n ARG 26 Cb 0.60 -1.40 -0.05 0.00 -1.16 0.00 0.00 32.46 30.45 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1niy h LYS 27 N -0.74 0.80 0.00 5.56 3.11 -2.00 -3.25 116.57 120.04 1niy h LYS 27 Ca -0.61 -0.53 -0.02 0.00 -2.81 0.00 0.00 60.65 56.68 1niy h LYS 27 Cb 1.60 0.07 -0.00 0.00 -1.00 0.00 0.00 32.23 32.90 1niy h LYS 27 CO -0.33 1.16 -1.15 0.72 -2.81 0.00 0.00 179.45 177.04 1niy n HIS 28 N -4.06 0.87 -3.78 1.91 8.25 -1.26 -4.98 115.22 112.16 1niy n HIS 28 Ca -0.05 0.26 -0.24 0.00 -0.26 0.00 0.00 57.72 57.42 1niy n HIS 28 Cb 0.62 -0.92 0.03 0.00 1.12 0.00 0.00 29.99 30.84 1niy n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1niy n ARG 29 N -2.65 -4.91 -4.00 -0.41 0.00 -1.14 -4.92 116.66 98.62 1niy n ARG 29 Ca -0.01 0.59 -0.14 0.00 -0.00 0.00 0.00 57.85 58.29 1niy n ARG 29 Cb 0.58 -5.20 -0.02 0.00 0.00 0.00 0.00 32.46 27.82 1niy n ARG 29 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1niy n TRP 30 N -4.39 -1.60 -2.48 -0.14 4.27 -1.26 -1.50 117.44 110.35 1niy n TRP 30 Ca -0.21 -2.34 -0.42 0.00 -3.89 0.00 0.00 57.50 50.64 1niy n TRP 30 Cb 0.64 0.62 -0.03 0.00 -1.36 0.00 0.00 31.31 31.18 1niy n TRP 30 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1niy s LYS 32 N 1.69 2.23 0.15 0.00 2.20 0.11 -0.94 119.74 125.18 1niy s LYS 32 Ca 0.56 -0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1niy s LYS 32 Cb -0.26 -1.97 -0.08 0.00 -1.51 0.00 0.00 37.83 34.01 1niy s LYS 32 CO 0.25 0.41 1.27 -0.47 -0.36 0.00 0.00 175.35 176.44 1niy s TYR 33 N -0.27 3.34 -0.42 4.03 6.14 -1.26 -0.84 117.35 128.07 1niy s TYR 33 Ca 0.01 1.25 -0.20 0.00 0.64 0.00 0.00 57.07 58.77 1niy s TYR 33 Cb -0.12 -3.53 0.02 0.00 0.42 0.00 0.00 41.96 38.75 1niy s TYR 33 CO 0.02 -1.64 0.63 -2.00 0.64 0.00 0.00 175.55 173.20 1niy s GLU 34 N 0.28 3.35 0.00 4.97 2.12 0.18 -4.93 118.70 124.67 1niy s GLU 34 Ca 0.57 -0.32 0.03 0.00 0.36 0.00 0.00 54.97 55.62 1niy s GLU 34 Cb -0.34 -3.92 0.02 0.00 0.26 0.00 0.00 34.13 30.15 1niy s GLU 34 CO 0.35 -0.95 0.60 -0.89 -0.54 0.00 0.00 175.26 173.82