#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 2.78 3.21 1.00 0.00 1.43 0.11 -4.75 118.68 122.46 1niy s LEU 3 Ca -0.03 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1niy s LEU 3 Cb -0.12 -1.88 0.20 0.00 0.03 0.00 0.00 46.19 44.42 1niy s LEU 3 CO -0.17 0.25 1.21 -0.83 0.23 0.00 0.00 176.35 177.05 1niy s GLY 4 N -1.65 1.66 0.32 -3.19 0.00 -1.26 -2.30 107.32 100.90 1niy s GLY 4 Ca 0.19 -0.92 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 1niy s GLY 4 CO 0.10 -0.19 1.30 -0.12 0.00 0.00 0.00 173.10 174.19 1niy s PHE 5 N -3.47 3.08 -0.56 1.90 5.36 -1.26 -3.31 117.98 119.72 1niy s PHE 5 Ca 0.70 1.42 -0.02 0.00 -0.96 0.00 0.00 56.93 58.06 1niy s PHE 5 Cb -0.09 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.94 1niy s PHE 5 CO 0.54 -1.80 0.48 0.41 -1.46 0.00 0.00 175.22 173.39 1niy n GLY 6 N 0.89 0.21 3.27 13.12 0.00 -0.03 -4.95 105.19 117.71 1niy n GLY 6 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 -5.15 3.02 -0.03 1.61 2.47 -1.21 -4.83 119.74 115.62 1niy s LYS 7 Ca 0.15 -0.83 -0.30 0.00 -1.56 0.00 0.00 55.97 53.42 1niy s LYS 7 Cb -0.06 -2.35 -0.08 0.00 -1.46 0.00 0.00 37.83 33.87 1niy s LYS 7 CO 0.32 0.24 2.03 0.41 0.16 0.00 0.00 175.35 178.51 1niy n GLY 8 N 3.38 1.66 3.39 5.54 0.00 -1.26 -1.08 105.19 116.82 1niy n GLY 8 Ca -0.18 0.81 -0.12 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.15 6.63 0.31 0.00 0.01 -1.26 -4.19 114.94 113.29 1niy s ASN 10 Ca 0.32 0.75 0.10 0.00 -0.71 0.00 0.00 52.86 53.32 1niy s ASN 10 Cb 0.03 -2.21 0.50 0.00 0.41 0.00 0.00 41.25 39.98 1niy s ASN 10 CO 0.14 0.23 1.70 1.55 -1.51 0.00 0.00 177.10 179.22 1niy h PRO 11 N 5.56 0.04 -0.19 -0.60 0.13 -1.85 0.22 132.00 135.33 1niy h PRO 11 Ca -0.48 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1niy h PRO 11 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1niy h PRO 11 CO 0.67 0.53 -0.28 1.03 -0.23 0.00 0.00 178.00 179.72 1niy h SER 12 N 0.04 0.57 0.19 1.44 0.87 -1.93 -3.32 113.55 111.40 1niy h SER 12 Ca -0.00 -0.52 -0.29 0.00 -1.23 0.00 0.00 61.79 59.74 1niy h SER 12 Cb 0.89 -0.16 0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1niy h SER 12 CO 0.07 0.98 -1.38 -1.13 -0.53 0.00 0.00 176.83 174.84 1niy h ASN 13 N 0.18 0.62 -5.35 6.23 -0.73 -1.97 -3.50 115.58 111.06 1niy h ASN 13 Ca 0.02 -0.92 -0.02 0.00 1.87 0.00 0.00 56.30 57.24 1niy h ASN 13 Cb 0.85 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1niy h ASN 13 CO 0.06 1.64 -0.63 -0.67 -0.37 0.00 0.00 177.43 177.46 1niy n ASP 14 N -3.83 -7.81 -1.80 1.15 -0.08 0.78 -4.92 116.55 100.03 1niy n ASP 14 Ca -0.20 0.64 0.07 0.00 -1.51 0.00 0.00 54.79 53.80 1niy n ASP 14 Cb 0.99 -5.12 0.39 0.00 2.34 0.00 0.00 41.12 39.73 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 -0.11 4.65 -2.04 -0.67 -0.06 -1.26 -4.92 117.38 112.98 1niy n GLN 15 Ca 0.09 -3.12 -0.33 0.00 -2.00 0.00 0.00 57.00 51.64 1niy n GLN 15 Cb 0.40 -2.20 0.02 0.00 -4.06 0.00 0.00 30.24 24.40 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1niy h LYS 18 N 7.42 0.00 -0.79 0.00 1.79 -1.93 -2.33 116.57 120.73 1niy h LYS 18 Ca -0.36 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.15 1niy h LYS 18 Cb 1.17 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 1niy h LYS 18 CO 0.87 0.19 0.52 0.66 -1.08 0.00 0.00 179.45 180.62 1niy h SER 19 N 0.00 0.81 -0.70 0.86 4.64 -1.94 -1.49 113.55 115.73 1niy h SER 19 Ca -0.00 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.11 1niy h SER 19 Cb 0.93 -0.18 -0.12 0.00 -0.31 0.00 0.00 62.40 62.72 1niy h SER 19 CO 0.03 0.54 0.24 -0.24 -0.87 0.00 0.00 176.83 176.53 1niy n SER 20 N -4.46 4.74 -3.63 4.97 2.88 -1.22 -4.94 113.62 111.96 1niy n SER 20 Ca 0.11 -3.24 -0.26 0.00 -1.33 0.00 0.00 58.87 54.16 1niy n SER 20 Cb 0.15 -0.73 0.04 0.00 -0.75 0.00 0.00 64.21 62.92 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 -0.20 -4.25 -4.45 -3.46 3.02 -0.56 -4.90 115.26 100.45 1niy n ASN 21 Ca 0.40 -0.92 -0.33 0.00 -0.03 0.00 0.00 54.58 53.70 1niy n ASN 21 Cb 1.36 -3.85 -0.13 0.00 -0.61 0.00 0.00 39.78 36.55 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 -6.36 2.85 0.01 3.41 1.43 -0.88 -2.88 118.68 116.25 1niy s LEU 22 Ca 0.33 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1niy s LEU 22 Cb -0.10 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1niy s LEU 22 CO 0.83 0.26 -0.01 0.68 0.23 0.00 0.00 176.35 178.34 1niy s VAL 23 N -0.20 0.07 0.01 -1.59 -7.23 -0.42 -4.34 120.40 106.70 1niy s VAL 23 Ca 0.01 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.63 1niy s VAL 23 Cb -0.13 -0.11 -0.07 0.00 0.56 0.00 0.00 36.38 36.63 1niy s VAL 23 CO 0.03 -0.11 1.70 0.00 -0.31 0.00 0.00 175.10 176.41 1niy s SER 25 N 3.10 5.60 -0.13 0.00 0.15 0.12 -4.72 113.70 117.82 1niy s SER 25 Ca 0.76 1.61 -0.08 0.00 0.70 0.00 0.00 55.95 58.94 1niy s SER 25 Cb -0.37 -2.50 -0.26 0.00 -1.71 0.00 0.00 66.02 61.18 1niy s SER 25 CO 0.33 -1.30 0.35 0.54 1.20 0.00 0.00 173.24 174.36 1niy n ARG 26 N -2.89 0.74 0.14 5.44 3.00 -1.26 -1.81 116.66 120.02 1niy n ARG 26 Ca 0.07 0.29 -0.23 0.00 -0.01 0.00 0.00 57.85 57.97 1niy n ARG 26 Cb 0.54 -1.71 -0.16 0.00 0.00 0.00 0.00 32.46 31.13 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1niy h LYS 27 N -0.02 0.50 0.00 5.56 3.64 -1.99 -3.33 116.57 120.93 1niy h LYS 27 Ca -0.42 -0.85 0.00 0.00 -1.27 0.00 0.00 60.65 58.11 1niy h LYS 27 Cb 1.97 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 34.11 1niy h LYS 27 CO 0.06 1.41 -1.12 0.72 -2.27 0.00 0.00 179.45 178.25 1niy n HIS 28 N -3.69 0.82 -3.78 1.91 8.25 -1.26 -4.98 115.22 112.49 1niy n HIS 28 Ca -0.15 0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.28 1niy n HIS 28 Cb 1.09 -0.88 0.04 0.00 1.12 0.00 0.00 29.99 31.36 1niy n HIS 28 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1niy n ARG 29 N -2.59 -5.98 -4.02 -0.41 1.74 -0.75 -4.92 116.66 99.73 1niy n ARG 29 Ca -0.00 0.67 -0.12 0.00 -0.77 0.00 0.00 57.85 57.63 1niy n ARG 29 Cb 0.55 -5.53 -0.04 0.00 -1.02 0.00 0.00 32.46 26.42 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 1niy s TRP 30 N -3.39 0.67 -0.21 -1.55 1.48 -1.25 -1.78 118.94 112.91 1niy s TRP 30 Ca 0.47 -1.01 -0.29 0.00 -1.06 0.00 0.00 56.10 54.21 1niy s TRP 30 Cb -0.23 0.12 -0.03 0.00 -1.16 0.00 0.00 33.47 32.18 1niy s TRP 30 CO 0.80 -1.12 1.65 0.00 -4.06 0.00 0.00 176.95 174.22 1niy s LYS 32 N 4.73 1.53 0.11 0.00 2.47 0.58 -0.85 119.74 128.32 1niy s LYS 32 Ca 0.73 -1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 53.65 1niy s LYS 32 Cb -0.26 -1.83 -0.06 0.00 -1.46 0.00 0.00 37.83 34.22 1niy s LYS 32 CO 0.30 0.45 1.10 -0.47 0.16 0.00 0.00 175.35 176.89 1niy s TYR 33 N -0.94 3.58 -0.53 4.03 5.04 -1.26 -1.30 117.35 125.97 1niy s TYR 33 Ca 0.12 1.54 -0.27 0.00 -2.44 0.00 0.00 57.07 56.02 1niy s TYR 33 Cb -0.10 -3.28 -0.03 0.00 0.35 0.00 0.00 41.96 38.91 1niy s TYR 33 CO 0.04 -0.65 1.92 -1.83 -1.34 0.00 0.00 175.55 173.68 1niy s GLU 34 N 0.28 2.72 0.00 4.97 -1.05 -1.14 -4.96 118.70 119.51 1niy s GLU 34 Ca 0.52 0.90 0.28 0.00 -0.15 0.00 0.00 54.97 56.52 1niy s GLU 34 Cb -0.28 -4.37 1.10 0.00 -0.44 0.00 0.00 34.13 30.14 1niy s GLU 34 CO 0.32 -2.61 1.77 -0.89 0.95 0.00 0.00 175.26 174.80