#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 1.29 4.17 0.00 0.00 1.43 -0.67 -4.66 118.68 120.24 1niy s LEU 3 Ca 0.04 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.74 1niy s LEU 3 Cb -0.23 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1niy s LEU 3 CO -0.01 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1niy n GLY 4 N -0.55 -0.94 3.77 -3.19 0.00 -1.26 -1.86 105.19 101.15 1niy n GLY 4 Ca -0.03 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.53 3.84 -0.55 1.61 5.36 -1.26 -3.94 117.98 122.51 1niy s PHE 5 Ca 0.00 1.74 -0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1niy s PHE 5 Cb 0.00 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1niy s PHE 5 CO 0.00 0.39 0.47 0.41 -1.46 0.00 0.00 175.22 175.03 1niy n GLY 6 N 1.15 0.27 3.33 13.12 0.00 -0.31 -4.93 105.19 117.81 1niy n GLY 6 Ca -0.02 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 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 -5.26 2.86 -0.04 1.61 2.47 -1.25 -4.81 119.74 115.31 1niy s LYS 7 Ca 0.17 -0.80 -0.31 0.00 -1.56 0.00 0.00 55.97 53.47 1niy s LYS 7 Cb -0.08 -2.36 -0.09 0.00 -1.46 0.00 0.00 37.83 33.84 1niy s LYS 7 CO 0.30 0.35 1.99 0.41 0.16 0.00 0.00 175.35 178.56 1niy n GLY 8 N 3.08 1.63 3.22 5.54 0.00 -1.26 -1.31 105.19 116.09 1niy n GLY 8 Ca -0.18 0.83 -0.15 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 -3.11 6.10 0.53 0.00 2.47 -1.26 -4.23 114.94 115.44 1niy s ASN 10 Ca 0.30 0.17 0.33 0.00 0.42 0.00 0.00 52.86 54.07 1niy s ASN 10 Cb -0.01 -2.08 1.34 0.00 -1.45 0.00 0.00 41.25 39.05 1niy s ASN 10 CO 0.21 0.14 1.97 1.55 -3.72 0.00 0.00 177.10 177.24 1niy h PRO 11 N 6.98 0.00 0.19 0.43 0.13 -1.79 0.52 132.00 138.45 1niy h PRO 11 Ca -0.40 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.40 1niy h PRO 11 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1niy h PRO 11 CO 0.72 0.00 -1.62 1.03 -0.23 0.00 0.00 178.00 177.90 1niy h SER 12 N 0.00 0.63 0.35 1.44 0.87 -1.93 -3.38 113.55 111.53 1niy h SER 12 Ca 0.00 -0.93 -0.30 0.00 -1.23 0.00 0.00 61.79 59.33 1niy h SER 12 Cb 0.51 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1niy h SER 12 CO 0.00 1.74 -1.89 -3.20 -0.53 0.00 0.00 176.83 172.94 1niy n ASN 13 N -3.69 0.61 -2.54 6.23 2.85 -1.19 -5.06 115.26 112.46 1niy n ASN 13 Ca -0.23 0.29 -0.02 0.00 -0.11 0.00 0.00 54.58 54.51 1niy n ASN 13 Cb 1.05 0.29 -0.02 0.00 1.24 0.00 0.00 39.78 42.34 1niy n ASN 13 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1niy n ASP 14 N -2.94 -4.87 -1.73 1.20 -0.08 0.18 -4.93 116.55 103.38 1niy n ASP 14 Ca -0.21 1.26 0.08 0.00 -1.51 0.00 0.00 54.79 54.41 1niy n ASP 14 Cb 1.07 -4.85 0.38 0.00 2.34 0.00 0.00 41.12 40.05 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 0.95 4.32 -2.54 -0.67 6.02 -1.26 -4.94 117.38 119.26 1niy n GLN 15 Ca -0.14 -3.04 -0.30 0.00 -0.01 0.00 0.00 57.00 53.52 1niy n GLN 15 Cb 0.22 -2.08 -0.01 0.00 1.02 0.00 0.00 30.24 29.38 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 5.80 0.00 -0.91 0.00 1.57 -1.92 -2.89 116.57 118.22 1niy h LYS 18 Ca -0.43 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1niy h LYS 18 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.47 1niy h LYS 18 CO 0.72 0.00 0.60 1.03 -0.57 0.00 0.00 179.45 181.23 1niy h SER 19 N 0.00 1.04 -0.72 0.86 0.87 -1.95 -1.97 113.55 111.68 1niy h SER 19 Ca 0.00 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.35 1niy h SER 19 Cb 0.77 -0.26 -0.11 0.00 -0.44 0.00 0.00 62.40 62.36 1niy h SER 19 CO 0.00 0.74 0.24 -0.24 -0.53 0.00 0.00 176.83 177.04 1niy n SER 20 N -4.40 4.93 -3.55 6.23 2.88 -1.23 -4.95 113.62 113.52 1niy n SER 20 Ca 0.11 -3.20 -0.24 0.00 -1.33 0.00 0.00 58.87 54.21 1niy n SER 20 Cb 0.03 -0.74 0.03 0.00 -0.75 0.00 0.00 64.21 62.79 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 -0.08 -5.82 -4.26 -3.46 4.13 -0.74 -4.79 115.26 100.23 1niy n ASN 21 Ca 0.39 -0.82 -0.32 0.00 1.68 0.00 0.00 54.58 55.52 1niy n ASN 21 Cb 1.37 -3.60 -0.16 0.00 -1.54 0.00 0.00 39.78 35.85 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 -5.71 2.25 -0.02 3.41 1.43 -1.09 -1.81 118.68 117.14 1niy s LEU 22 Ca 0.32 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1niy s LEU 22 Cb -0.11 -1.46 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1niy s LEU 22 CO 0.84 0.17 -0.14 0.68 0.23 0.00 0.00 176.35 178.12 1niy s VAL 23 N 0.29 1.17 -0.16 -1.59 -7.23 -0.27 -4.48 120.40 108.13 1niy s VAL 23 Ca -0.15 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.12 1niy s VAL 23 Cb -0.17 -0.99 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 1niy s VAL 23 CO 0.08 0.34 1.57 0.00 -0.31 0.00 0.00 175.10 176.78 1niy s SER 25 N 3.62 6.21 -0.09 0.00 0.15 0.05 -4.53 113.70 119.10 1niy s SER 25 Ca 0.69 1.22 0.08 0.00 0.70 0.00 0.00 55.95 58.64 1niy s SER 25 Cb -0.27 -2.36 -0.24 0.00 -1.71 0.00 0.00 66.02 61.45 1niy s SER 25 CO 0.27 -0.78 0.47 -1.14 1.20 0.00 0.00 173.24 173.26 1niy n ARG 26 N -2.58 0.67 -0.10 5.44 0.63 -1.26 -1.35 116.66 118.11 1niy n ARG 26 Ca 0.04 0.24 -0.11 0.00 -0.92 0.00 0.00 57.85 57.10 1niy n ARG 26 Cb 0.55 -1.73 -0.04 0.00 0.45 0.00 0.00 32.46 31.69 1niy n ARG 26 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1niy h LYS 27 N 0.02 0.54 -0.00 -0.14 3.11 -1.99 -3.27 116.57 114.84 1niy h LYS 27 Ca -0.37 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 1niy h LYS 27 Cb 2.04 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 33.24 1niy h LYS 27 CO 0.07 0.74 -0.80 0.72 -2.81 0.00 0.00 179.45 177.37 1niy n HIS 28 N -4.51 0.00 -3.80 1.91 8.25 -1.26 -5.00 115.22 110.80 1niy n HIS 28 Ca -0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.19 1niy n HIS 28 Cb 0.30 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.37 -4.60 -4.04 -0.41 1.74 -0.46 -4.91 116.66 102.60 1niy n ARG 29 Ca 0.03 0.56 -0.14 0.00 -0.77 0.00 0.00 57.85 57.54 1niy n ARG 29 Cb 0.27 -5.08 -0.03 0.00 -1.02 0.00 0.00 32.46 26.60 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 -3.67 0.90 -0.04 -1.55 1.48 -1.23 -1.62 118.94 113.20 1niy s TRP 30 Ca 0.13 -1.20 -0.30 0.00 -1.06 0.00 0.00 56.10 53.67 1niy s TRP 30 Cb -0.06 0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.26 1niy s TRP 30 CO 0.83 -1.19 1.39 0.00 -4.06 0.00 0.00 176.95 173.92 1niy s LYS 32 N 2.81 2.11 0.10 0.00 2.47 0.88 -1.16 119.74 126.96 1niy s LYS 32 Ca 0.63 -0.96 -0.30 0.00 -1.56 0.00 0.00 55.97 53.78 1niy s LYS 32 Cb -0.29 -2.21 -0.06 0.00 -1.46 0.00 0.00 37.83 33.81 1niy s LYS 32 CO 0.24 0.55 1.12 0.71 0.16 0.00 0.00 175.35 178.13 1niy s TYR 33 N -0.92 3.54 0.48 4.03 2.02 -1.26 -1.11 117.35 124.13 1niy s TYR 33 Ca 0.15 1.50 -0.15 0.00 -0.37 0.00 0.00 57.07 58.19 1niy s TYR 33 Cb -0.11 -3.31 -0.08 0.00 -0.40 0.00 0.00 41.96 38.07 1niy s TYR 33 CO 0.05 -0.78 0.92 -2.00 -1.57 0.00 0.00 175.55 172.18 1niy s GLU 34 N 0.41 3.93 0.00 -0.62 -6.30 -0.75 -4.94 118.70 110.43 1niy s GLU 34 Ca 0.53 0.84 0.31 0.00 -2.50 0.00 0.00 54.97 54.16 1niy s GLU 34 Cb -0.28 -2.21 1.76 0.00 0.00 0.00 0.00 34.13 33.40 1niy s GLU 34 CO 0.31 -0.19 2.15 -0.89 0.02 0.00 0.00 175.26 176.66