#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 -0.94 4.31 0.00 0.00 1.43 -0.12 -4.68 118.68 118.68 1niy s LEU 3 Ca -0.18 0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 1niy s LEU 3 Cb 0.01 -3.11 0.25 0.00 0.03 0.00 0.00 46.19 43.37 1niy s LEU 3 CO 0.74 0.12 1.09 0.61 0.23 0.00 0.00 176.35 179.15 1niy n GLY 4 N 0.52 -2.17 3.76 -3.19 0.00 -1.26 -0.97 105.19 101.89 1niy n GLY 4 Ca -0.06 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.19 3.30 -0.36 1.61 5.36 -1.26 -3.29 117.98 120.16 1niy s PHE 5 Ca 0.67 1.57 -0.00 0.00 -0.96 0.00 0.00 56.93 58.20 1niy s PHE 5 Cb -0.04 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 1niy s PHE 5 CO 0.49 -1.15 0.07 0.41 -1.46 0.00 0.00 175.22 173.57 1niy n GLY 6 N 0.95 0.30 3.54 13.12 0.00 -0.55 -4.90 105.19 117.66 1niy n GLY 6 Ca 0.00 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.50 3.80 -0.23 1.61 2.47 -1.21 -4.75 119.74 116.95 1niy s LYS 7 Ca 0.03 -0.43 -0.33 0.00 -1.56 0.00 0.00 55.97 53.68 1niy s LYS 7 Cb -0.01 -3.20 -0.10 0.00 -1.46 0.00 0.00 37.83 33.05 1niy s LYS 7 CO 0.04 0.10 2.08 0.41 0.16 0.00 0.00 175.35 178.14 1niy n GLY 8 N 4.05 0.97 3.48 5.54 0.00 -1.26 -2.21 105.19 115.76 1niy n GLY 8 Ca -0.17 0.87 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 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 -3.11 6.51 0.23 0.00 -0.87 -1.26 -4.03 114.94 112.40 1niy s ASN 10 Ca 0.28 0.59 -0.00 0.00 -1.57 0.00 0.00 52.86 52.16 1niy s ASN 10 Cb 0.01 -2.11 0.23 0.00 -0.02 0.00 0.00 41.25 39.36 1niy s ASN 10 CO 0.13 0.32 1.59 1.55 -2.57 0.00 0.00 177.10 178.12 1niy h PRO 11 N 4.46 0.50 -0.32 -0.60 0.13 -1.81 0.17 132.00 134.53 1niy h PRO 11 Ca -0.52 -0.27 -0.10 0.00 -0.87 0.00 0.00 66.00 64.24 1niy h PRO 11 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1niy h PRO 11 CO 0.62 0.85 -0.19 1.03 -0.23 0.00 0.00 178.00 180.08 1niy h SER 12 N 0.40 0.72 0.11 1.44 0.87 -1.94 -3.28 113.55 111.88 1niy h SER 12 Ca 0.03 -0.42 -0.20 0.00 -1.23 0.00 0.00 61.79 59.97 1niy h SER 12 Cb 0.94 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 62.72 1niy h SER 12 CO 0.08 0.99 -0.84 -1.13 -0.53 0.00 0.00 176.83 175.40 1niy h ASN 13 N 0.46 0.54 -5.39 6.23 -1.24 -1.97 -3.49 115.58 110.71 1niy h ASN 13 Ca 0.07 -0.90 -0.04 0.00 0.71 0.00 0.00 56.30 56.15 1niy h ASN 13 Cb 0.73 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.61 1niy h ASN 13 CO 0.05 1.39 -0.61 -0.67 -1.29 0.00 0.00 177.43 176.30 1niy n ASP 14 N -4.09 -7.74 -1.45 1.15 -0.08 0.60 -4.93 116.55 100.00 1niy n ASP 14 Ca -0.13 0.55 0.07 0.00 -1.51 0.00 0.00 54.79 53.77 1niy n ASP 14 Cb 0.82 -5.03 0.33 0.00 2.34 0.00 0.00 41.12 39.58 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 -0.19 3.92 -1.45 -0.67 0.00 -1.26 -4.92 117.38 112.82 1niy n GLN 15 Ca 0.09 -3.03 -0.29 0.00 -0.00 0.00 0.00 57.00 53.78 1niy n GLN 15 Cb 0.44 -2.08 0.15 0.00 0.00 0.00 0.00 30.24 28.75 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1niy h LYS 18 N 9.36 0.00 -0.12 0.00 5.09 -1.91 -2.52 116.57 126.47 1niy h LYS 18 Ca -0.24 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.43 1niy h LYS 18 Cb 1.06 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 1niy h LYS 18 CO 1.15 0.18 -0.25 1.03 -2.09 0.00 0.00 179.45 179.48 1niy h SER 19 N 0.00 0.21 -0.75 7.07 0.87 -1.93 -2.60 113.55 116.41 1niy h SER 19 Ca -0.00 -0.06 -0.30 0.00 -1.23 0.00 0.00 61.79 60.20 1niy h SER 19 Cb 0.61 -0.06 -0.18 0.00 -0.44 0.00 0.00 62.40 62.33 1niy h SER 19 CO 0.02 0.46 0.34 -0.24 -0.53 0.00 0.00 176.83 176.89 1niy n SER 20 N -4.18 4.18 -3.37 6.23 2.88 -1.08 -4.96 113.62 113.32 1niy n SER 20 Ca -0.01 -3.40 -0.11 0.00 -1.33 0.00 0.00 58.87 54.01 1niy n SER 20 Cb 0.35 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 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 -0.60 -6.55 -3.96 -3.46 4.13 -0.98 -4.90 115.26 98.94 1niy n ASN 21 Ca 0.45 -0.47 -0.20 0.00 1.68 0.00 0.00 54.58 56.04 1niy n ASN 21 Cb 1.42 -3.88 -0.16 0.00 -1.54 0.00 0.00 39.78 35.62 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 -4.55 1.68 0.02 3.41 1.43 -0.97 -3.03 118.68 116.67 1niy s LEU 22 Ca 0.04 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1niy s LEU 22 Cb -0.01 -0.48 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1niy s LEU 22 CO 0.81 0.03 -0.07 0.68 0.23 0.00 0.00 176.35 178.03 1niy s VAL 23 N 0.38 0.51 0.28 -1.59 -7.23 -0.32 -4.32 120.40 108.10 1niy s VAL 23 Ca -0.05 -0.69 -0.29 0.00 -1.81 0.00 0.00 61.98 59.14 1niy s VAL 23 Cb -0.10 -0.51 -0.10 0.00 0.56 0.00 0.00 36.38 36.24 1niy s VAL 23 CO 0.00 -0.14 1.25 0.00 -0.31 0.00 0.00 175.10 175.91 1niy s SER 25 N -0.35 5.16 -0.01 0.00 0.01 0.02 -4.59 113.70 113.94 1niy s SER 25 Ca 0.50 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.66 1niy s SER 25 Cb -0.37 -1.27 -0.24 0.00 0.21 0.00 0.00 66.02 64.35 1niy s SER 25 CO 0.45 0.17 0.78 0.08 0.41 0.00 0.00 173.24 175.13 1niy h ARG 26 N 3.32 0.10 0.13 12.44 0.11 -1.95 0.02 114.38 128.55 1niy h ARG 26 Ca -0.47 -0.18 -0.30 0.00 0.10 0.00 0.00 59.98 59.13 1niy h ARG 26 Cb 1.17 0.07 0.03 0.00 1.11 0.00 0.00 29.97 32.34 1niy h ARG 26 CO 0.61 0.84 -1.26 -0.22 0.10 0.00 0.00 179.97 180.05 1niy h LYS 27 N 0.03 0.57 0.00 0.08 3.64 -1.99 -3.33 116.57 115.57 1niy h LYS 27 Ca -0.25 -0.79 -0.03 0.00 -1.27 0.00 0.00 60.65 58.32 1niy h LYS 27 Cb 1.98 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 34.06 1niy h LYS 27 CO 0.11 1.36 -1.48 0.72 -2.27 0.00 0.00 179.45 177.89 1niy n HIS 28 N -3.75 0.56 -3.37 1.91 8.25 -1.26 -4.98 115.22 112.58 1niy n HIS 28 Ca -0.13 0.17 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1niy n HIS 28 Cb 1.00 -0.80 0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.54 -6.62 -1.44 -0.41 3.00 -0.01 -4.96 116.66 103.68 1niy n ARG 29 Ca -0.04 0.86 0.00 0.00 -0.01 0.00 0.00 57.85 58.66 1niy n ARG 29 Cb 0.61 -5.83 0.00 0.00 0.00 0.00 0.00 32.46 27.24 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 -4.80 -0.52 -3.00 -1.55 4.27 -1.24 -1.84 117.44 108.77 1niy n TRP 30 Ca -0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.16 1niy n TRP 30 Cb 0.58 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.48 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 2.33 2.13 0.32 0.00 2.47 0.56 -1.48 119.74 126.07 1niy s LYS 32 Ca 0.32 -0.95 -0.26 0.00 -1.56 0.00 0.00 55.97 53.51 1niy s LYS 32 Cb -0.16 -2.23 -0.10 0.00 -1.46 0.00 0.00 37.83 33.89 1niy s LYS 32 CO 0.10 0.55 0.96 -0.47 0.16 0.00 0.00 175.35 176.64 1niy s TYR 33 N -0.95 3.68 -0.18 4.03 6.14 -1.26 -1.17 117.35 127.64 1niy s TYR 33 Ca 0.15 1.78 -0.27 0.00 0.64 0.00 0.00 57.07 59.37 1niy s TYR 33 Cb -0.11 -2.96 -0.01 0.00 0.42 0.00 0.00 41.96 39.31 1niy s TYR 33 CO 0.06 0.12 0.94 -1.21 0.64 0.00 0.00 175.55 176.10 1niy s GLU 34 N -1.99 4.31 0.00 4.97 2.02 -1.17 -4.94 118.70 121.90 1niy s GLU 34 Ca 0.50 1.21 0.28 0.00 0.02 0.00 0.00 54.97 56.99 1niy s GLU 34 Cb -0.20 -3.59 1.11 0.00 0.10 0.00 0.00 34.13 31.55 1niy s GLU 34 CO 0.26 -0.43 1.78 1.51 0.02 0.00 0.00 175.26 178.39