#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 -4.18 4.35 0.00 0.00 1.43 -0.33 -4.78 118.68 115.17 1niy s LEU 3 Ca 0.49 0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 1niy s LEU 3 Cb -0.04 -2.98 0.04 0.00 0.03 0.00 0.00 46.19 43.23 1niy s LEU 3 CO 0.29 0.16 0.23 0.61 0.23 0.00 0.00 176.35 177.87 1niy n GLY 4 N 0.29 0.07 3.77 -3.19 0.00 -1.26 -1.57 105.19 103.31 1niy n GLY 4 Ca -0.05 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.71 1niy n GLY 4 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1niy s PHE 5 N -0.84 3.53 -0.85 1.61 5.36 -1.26 -3.40 117.98 122.14 1niy s PHE 5 Ca 0.14 1.71 -0.01 0.00 -0.96 0.00 0.00 56.93 57.82 1niy s PHE 5 Cb -0.01 -3.17 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 1niy s PHE 5 CO 0.10 -0.40 0.16 0.41 -1.46 0.00 0.00 175.22 174.03 1niy n GLY 6 N 0.89 0.00 3.53 13.12 0.00 0.09 -4.89 105.19 117.93 1niy n GLY 6 Ca 0.01 -0.38 -0.34 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 -4.84 3.49 -0.20 1.61 2.47 -1.22 -4.77 119.74 116.29 1niy s LYS 7 Ca 0.08 -0.51 -0.31 0.00 -1.56 0.00 0.00 55.97 53.67 1niy s LYS 7 Cb -0.04 -2.86 -0.08 0.00 -1.46 0.00 0.00 37.83 33.39 1niy s LYS 7 CO 0.10 0.34 2.14 0.41 0.16 0.00 0.00 175.35 178.50 1niy n GLY 8 N 3.23 1.05 3.20 5.54 0.00 -1.26 -1.75 105.19 115.21 1niy n GLY 8 Ca -0.18 0.84 -0.09 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.99 6.64 0.25 0.00 2.47 -1.26 -3.93 114.94 116.11 1niy s ASN 10 Ca 0.18 0.76 0.04 0.00 0.42 0.00 0.00 52.86 54.26 1niy s ASN 10 Cb 0.06 -2.18 0.32 0.00 -1.45 0.00 0.00 41.25 38.00 1niy s ASN 10 CO -0.01 0.34 1.61 1.55 -3.72 0.00 0.00 177.10 176.87 1niy h PRO 11 N 4.95 0.29 -0.30 0.43 0.13 -1.86 0.25 132.00 135.88 1niy h PRO 11 Ca -0.52 -0.17 -0.07 0.00 -0.87 0.00 0.00 66.00 64.37 1niy h PRO 11 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1niy h PRO 11 CO 0.61 0.73 -0.08 1.03 -0.23 0.00 0.00 178.00 180.06 1niy h SER 12 N 0.23 0.59 0.09 1.44 0.87 -1.94 -3.31 113.55 111.52 1niy h SER 12 Ca 0.01 -0.37 -0.17 0.00 -1.23 0.00 0.00 61.79 60.03 1niy h SER 12 Cb 0.97 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1niy h SER 12 CO 0.08 0.82 -0.81 -1.13 -0.53 0.00 0.00 176.83 175.27 1niy h ASN 13 N 0.35 0.28 -5.52 6.23 -0.73 -1.98 -3.49 115.58 110.72 1niy h ASN 13 Ca 0.08 -0.90 -0.06 0.00 1.87 0.00 0.00 56.30 57.29 1niy h ASN 13 Cb 0.57 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.07 1niy h ASN 13 CO 0.03 1.36 -0.75 -0.67 -0.37 0.00 0.00 177.43 177.03 1niy n ASP 14 N -4.23 -7.51 -1.90 1.15 -0.08 0.87 -4.94 116.55 99.92 1niy n ASP 14 Ca -0.17 0.61 -0.22 0.00 -1.51 0.00 0.00 54.79 53.50 1niy n ASP 14 Cb 0.74 -4.57 0.09 0.00 2.34 0.00 0.00 41.12 39.73 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1niy n GLN 15 N 0.03 2.84 -2.27 -0.67 6.02 -1.26 -5.00 117.38 117.06 1niy n GLN 15 Ca 0.05 -3.62 -0.25 0.00 -0.01 0.00 0.00 57.00 53.17 1niy n GLN 15 Cb 0.40 -2.16 0.07 0.00 1.02 0.00 0.00 30.24 29.57 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1niy h LYS 18 N 6.96 0.00 -0.46 0.00 1.57 -1.92 -2.94 116.57 119.79 1niy h LYS 18 Ca -0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1niy h LYS 18 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1niy h LYS 18 CO 0.80 0.23 0.24 1.03 -0.57 0.00 0.00 179.45 181.18 1niy h SER 19 N 0.00 0.55 -0.58 0.86 0.87 -1.96 -1.86 113.55 111.43 1niy h SER 19 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1niy h SER 19 Cb 1.18 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1niy h SER 19 CO 0.03 0.46 0.00 -1.20 -0.53 0.00 0.00 176.83 175.59 1niy n SER 20 N -4.41 5.02 -3.43 6.23 7.64 -1.24 -4.96 113.62 118.47 1niy n SER 20 Ca 0.04 -2.65 -0.18 0.00 1.01 0.00 0.00 58.87 57.08 1niy n SER 20 Cb 0.10 -0.62 0.03 0.00 -1.01 0.00 0.00 64.21 62.71 1niy n SER 20 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1niy n ASN 21 N 0.84 -6.26 -4.19 6.43 4.05 -0.70 -4.98 115.26 110.46 1niy n ASN 21 Ca 0.25 -0.69 -0.28 0.00 0.45 0.00 0.00 54.58 54.32 1niy n ASN 21 Cb 1.00 -4.11 -0.16 0.00 1.23 0.00 0.00 39.78 37.74 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1niy s LEU 22 N -5.37 1.98 0.15 1.20 1.43 -1.11 -4.01 118.68 112.94 1niy s LEU 22 Ca 0.29 -0.42 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1niy s LEU 22 Cb -0.08 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1niy s LEU 22 CO 0.81 0.19 -0.09 -0.69 0.23 0.00 0.00 176.35 176.80 1niy s VAL 23 N -0.02 1.08 0.24 -1.59 1.01 -1.01 -4.51 120.40 115.60 1niy s VAL 23 Ca -0.04 -2.04 -0.24 0.00 0.00 0.00 0.00 61.98 59.66 1niy s VAL 23 Cb -0.13 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.31 1niy s VAL 23 CO 0.03 -0.73 0.83 0.00 0.00 0.00 0.00 175.10 175.23 1niy s SER 25 N -1.48 5.20 -0.20 0.00 0.01 0.43 -4.76 113.70 112.90 1niy s SER 25 Ca 0.44 -0.77 -0.11 0.00 1.31 0.00 0.00 55.95 56.81 1niy s SER 25 Cb -0.20 0.01 -0.09 0.00 0.21 0.00 0.00 66.02 65.96 1niy s SER 25 CO 0.24 -1.13 -0.27 -1.14 0.41 0.00 0.00 173.24 171.35 1niy n ARG 26 N -2.05 0.44 -0.09 12.44 0.00 -1.26 -3.27 116.66 122.87 1niy n ARG 26 Ca 0.11 0.19 -0.14 0.00 -0.00 0.00 0.00 57.85 58.02 1niy n ARG 26 Cb 0.61 -1.25 -0.05 0.00 0.00 0.00 0.00 32.46 31.78 1niy n ARG 26 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1niy h LYS 27 N -0.76 0.73 0.00 -0.14 1.57 -2.00 -3.22 116.57 112.75 1niy h LYS 27 Ca -0.47 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 57.89 1niy h LYS 27 Cb 1.37 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1niy h LYS 27 CO -0.28 1.04 -0.99 0.45 -0.57 0.00 0.00 179.45 179.10 1niy h HIS 28 N 0.47 0.00 -6.26 -1.35 3.86 -2.01 -3.48 115.15 106.39 1niy h HIS 28 Ca 0.03 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.79 1niy h HIS 28 Cb 0.95 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 1niy h HIS 28 CO 0.08 0.01 -0.82 0.54 0.86 0.00 0.00 177.93 178.60 1niy n ARG 29 N -2.69 -4.71 -3.23 2.45 1.74 -1.20 -4.92 116.66 104.09 1niy n ARG 29 Ca -0.00 0.56 -0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1niy n ARG 29 Cb 0.55 -5.14 -0.02 0.00 -1.02 0.00 0.00 32.46 26.83 1niy n ARG 29 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1niy n TRP 30 N -4.42 -1.12 -2.87 -1.55 4.27 -1.25 -1.57 117.44 108.93 1niy n TRP 30 Ca -0.19 -1.62 -0.41 0.00 -3.89 0.00 0.00 57.50 51.39 1niy n TRP 30 Cb 0.63 0.38 -0.04 0.00 -1.36 0.00 0.00 31.31 30.92 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 1.65 2.19 -0.46 0.00 -2.85 0.81 -0.73 119.74 120.35 1niy s LYS 32 Ca 0.41 -1.68 -0.03 0.00 -1.00 0.00 0.00 55.97 53.68 1niy s LYS 32 Cb -0.18 -2.02 0.12 0.00 -2.06 0.00 0.00 37.83 33.69 1niy s LYS 32 CO 0.17 0.11 0.26 -0.47 0.10 0.00 0.00 175.35 175.52 1niy s TYR 33 N -2.49 3.54 0.22 1.78 6.14 -1.26 -2.39 117.35 122.90 1niy s TYR 33 Ca 0.36 -2.49 -0.30 0.00 0.64 0.00 0.00 57.07 55.28 1niy s TYR 33 Cb -0.01 -3.22 -0.09 0.00 0.42 0.00 0.00 41.96 39.07 1niy s TYR 33 CO 0.21 -0.94 1.31 -1.83 0.64 0.00 0.00 175.55 174.94 1niy s GLU 34 N 0.85 4.39 0.00 4.97 4.04 -1.26 -5.09 118.70 126.60 1niy s GLU 34 Ca 0.10 2.08 0.00 0.00 0.04 0.00 0.00 54.97 57.19 1niy s GLU 34 Cb -0.22 -3.17 0.00 0.00 0.02 0.00 0.00 34.13 30.75 1niy s GLU 34 CO -0.04 -0.24 0.00 -0.89 -1.84 0.00 0.00 175.26 172.25