#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 -3.00 4.25 0.00 0.00 1.43 -0.30 -4.73 118.68 116.33 1niy s LEU 3 Ca 0.21 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 1niy s LEU 3 Cb -0.01 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1niy s LEU 3 CO 0.08 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1niy n GLY 4 N 0.25 -1.58 3.78 -3.19 0.00 -1.26 -1.36 105.19 101.82 1niy n GLY 4 Ca -0.06 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.92 3.53 -1.01 1.61 5.36 -1.26 -3.81 117.98 121.48 1niy s PHE 5 Ca 0.00 1.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.67 1niy s PHE 5 Cb 0.00 -3.06 0.00 0.00 -0.34 0.00 0.00 43.02 39.63 1niy s PHE 5 CO 0.00 -0.21 0.86 0.41 -1.46 0.00 0.00 175.22 174.82 1niy n GLY 6 N 0.62 -0.23 3.44 13.12 0.00 -0.01 -4.90 105.19 117.24 1niy n GLY 6 Ca 0.02 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1niy n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1niy s LYS 7 N -5.38 2.38 -0.49 1.61 1.02 -1.25 -4.80 119.74 112.83 1niy s LYS 7 Ca 0.14 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 55.09 1niy s LYS 7 Cb -0.06 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1niy s LYS 7 CO 0.59 0.60 2.09 0.20 -0.92 0.00 0.00 175.35 177.91 1niy s GLY 8 N -0.79 0.08 0.30 -3.33 0.00 -1.26 -2.49 107.32 99.82 1niy s GLY 8 Ca 0.12 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.73 1niy s GLY 8 CO 0.01 3.70 0.16 0.00 0.00 0.00 0.00 173.10 176.96 1niy s ASN 10 N -3.36 6.81 0.14 0.00 3.84 -1.26 -4.19 114.94 116.92 1niy s ASN 10 Ca 0.36 0.97 -0.10 0.00 0.21 0.00 0.00 52.86 54.29 1niy s ASN 10 Cb 0.05 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.44 1niy s ASN 10 CO 0.17 0.27 1.44 1.55 -2.79 0.00 0.00 177.10 177.74 1niy h PRO 11 N 5.02 0.86 -0.36 0.43 0.13 -1.79 0.20 132.00 136.49 1niy h PRO 11 Ca -0.50 -0.51 -0.14 0.00 -0.87 0.00 0.00 66.00 63.98 1niy h PRO 11 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1niy h PRO 11 CO 0.64 1.15 -0.34 0.77 -0.23 0.00 0.00 178.00 179.99 1niy h SER 12 N 0.67 0.92 0.02 1.44 0.02 -1.92 -3.27 113.55 111.44 1niy h SER 12 Ca 0.03 -0.46 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 1niy h SER 12 Cb 1.09 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.39 1niy h SER 12 CO 0.11 1.19 -0.52 -1.13 -1.14 0.00 0.00 176.83 175.34 1niy h ASN 13 N 0.66 0.42 -5.72 3.07 -1.24 -1.97 -3.49 115.58 107.30 1niy h ASN 13 Ca 0.06 -0.81 -0.13 0.00 0.71 0.00 0.00 56.30 56.13 1niy h ASN 13 Cb 0.92 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.85 1niy h ASN 13 CO 0.08 1.18 -0.75 -0.67 -1.29 0.00 0.00 177.43 175.98 1niy n ASP 14 N -4.29 -7.12 -2.49 1.15 -0.08 0.70 -4.94 116.55 99.48 1niy n ASP 14 Ca -0.11 0.31 -0.30 0.00 -1.51 0.00 0.00 54.79 53.18 1niy n ASP 14 Cb 0.65 -4.11 0.02 0.00 2.34 0.00 0.00 41.12 40.02 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 -0.24 3.27 -2.49 -0.67 6.02 -1.26 -4.92 117.38 117.09 1niy n GLN 15 Ca 0.05 -4.17 -0.24 0.00 -0.01 0.00 0.00 57.00 52.63 1niy n GLN 15 Cb 0.53 -2.26 0.08 0.00 1.02 0.00 0.00 30.24 29.62 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 3.96 0.00 -0.91 0.00 3.64 -1.92 -2.92 116.57 118.41 1niy h LYS 18 Ca -0.46 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.94 1niy h LYS 18 Cb 1.20 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 1niy h LYS 18 CO 0.66 0.00 0.60 1.03 -2.27 0.00 0.00 179.45 179.47 1niy h SER 19 N 0.00 1.01 -0.54 4.20 0.87 -1.97 -2.17 113.55 114.96 1niy h SER 19 Ca 0.00 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1niy h SER 19 Cb 0.83 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1niy h SER 19 CO 0.00 0.71 0.01 -1.20 -0.53 0.00 0.00 176.83 175.82 1niy n SER 20 N -4.48 5.49 -3.66 6.23 7.64 -1.26 -4.97 113.62 118.61 1niy n SER 20 Ca 0.11 -2.96 -0.26 0.00 1.01 0.00 0.00 58.87 56.77 1niy n SER 20 Cb 0.06 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.61 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1niy n ASN 21 N 0.44 -5.48 -4.47 6.43 4.13 -0.82 -4.77 115.26 110.72 1niy n ASN 21 Ca 0.27 -0.88 -0.31 0.00 1.68 0.00 0.00 54.58 55.34 1niy n ASN 21 Cb 1.17 -3.03 -0.13 0.00 -1.54 0.00 0.00 39.78 36.26 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1niy s LEU 22 N -5.76 2.67 0.01 3.41 1.43 -1.10 -3.14 118.68 116.19 1niy s LEU 22 Ca 0.27 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1niy s LEU 22 Cb -0.11 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1niy s LEU 22 CO 0.87 0.28 -0.03 0.68 0.23 0.00 0.00 176.35 178.37 1niy s VAL 23 N -0.89 0.19 -0.26 -1.59 -7.23 -0.83 -4.54 120.40 105.26 1niy s VAL 23 Ca 0.14 -0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1niy s VAL 23 Cb -0.11 -0.21 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 1niy s VAL 23 CO 0.05 -0.07 1.50 0.00 -0.31 0.00 0.00 175.10 176.27 1niy s SER 25 N 3.77 4.78 -0.16 0.00 1.04 0.51 -4.49 113.70 119.15 1niy s SER 25 Ca 0.66 1.16 0.09 0.00 0.48 0.00 0.00 55.95 58.34 1niy s SER 25 Cb -0.22 -1.88 -0.23 0.00 0.10 0.00 0.00 66.02 63.79 1niy s SER 25 CO 0.27 -1.77 0.20 0.54 0.98 0.00 0.00 173.24 173.46 1niy n ARG 26 N -3.29 0.68 -0.04 4.02 1.74 -1.26 -2.18 116.66 116.34 1niy n ARG 26 Ca 0.07 0.15 -0.13 0.00 -0.77 0.00 0.00 57.85 57.17 1niy n ARG 26 Cb 0.57 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 30.31 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1niy h LYS 27 N 0.01 0.19 -0.01 5.56 3.11 -1.98 -3.29 116.57 120.16 1niy h LYS 27 Ca -0.47 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1niy h LYS 27 Cb 2.08 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 33.31 1niy h LYS 27 CO 0.03 0.64 -0.67 0.72 -2.81 0.00 0.00 179.45 177.36 1niy n HIS 28 N -4.69 0.00 -3.89 1.91 8.25 -1.26 -4.99 115.22 110.56 1niy n HIS 28 Ca -0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.14 1niy n HIS 28 Cb 0.32 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 -0.62 -3.82 -4.04 -0.41 1.74 -0.93 -4.95 116.66 103.63 1niy n ARG 29 Ca 0.07 0.47 -0.11 0.00 -0.77 0.00 0.00 57.85 57.52 1niy n ARG 29 Cb 0.41 -4.76 -0.05 0.00 -1.02 0.00 0.00 32.46 27.04 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 -3.84 0.63 -0.03 -1.55 1.48 -1.24 -2.49 118.94 111.91 1niy s TRP 30 Ca 0.05 -0.96 -0.30 0.00 -1.06 0.00 0.00 56.10 53.83 1niy s TRP 30 Cb -0.02 0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1niy s TRP 30 CO 0.87 -1.01 1.25 0.00 -4.06 0.00 0.00 176.95 173.99 1niy s LYS 32 N 2.15 1.86 -0.13 0.00 2.36 0.02 -0.83 119.74 125.16 1niy s LYS 32 Ca 0.58 -1.08 -0.20 0.00 -2.55 0.00 0.00 55.97 52.72 1niy s LYS 32 Cb -0.27 -2.00 -0.04 0.00 -1.05 0.00 0.00 37.83 34.48 1niy s LYS 32 CO 0.24 0.52 0.56 -0.47 1.55 0.00 0.00 175.35 177.75 1niy s TYR 33 N -0.78 3.48 -0.14 4.03 5.04 -1.26 -1.96 117.35 125.76 1niy s TYR 33 Ca 0.12 0.96 -0.29 0.00 -2.44 0.00 0.00 57.07 55.41 1niy s TYR 33 Cb -0.10 -2.67 -0.03 0.00 0.35 0.00 0.00 41.96 39.51 1niy s TYR 33 CO 0.02 0.04 1.45 -1.21 -1.34 0.00 0.00 175.55 174.51 1niy s GLU 34 N 1.06 4.15 0.00 4.97 0.41 -1.19 -5.05 118.70 123.06 1niy s GLU 34 Ca 0.29 1.84 0.28 0.00 -0.41 0.00 0.00 54.97 56.96 1niy s GLU 34 Cb -0.16 -3.88 0.96 0.00 -1.78 0.00 0.00 34.13 29.27 1niy s GLU 34 CO 0.12 -0.85 1.70 0.44 -0.49 0.00 0.00 175.26 176.18