#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 -2.93 4.37 0.00 0.00 1.43 0.11 -4.72 118.68 116.94 1niy s LEU 3 Ca 0.13 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.23 1niy s LEU 3 Cb -0.05 -2.97 0.23 0.00 0.03 0.00 0.00 46.19 43.43 1niy s LEU 3 CO 0.07 0.02 0.91 0.61 0.23 0.00 0.00 176.35 178.19 1niy n GLY 4 N 2.73 -2.44 3.77 -3.19 0.00 -1.26 -1.55 105.19 103.24 1niy n GLY 4 Ca -0.05 -1.53 -0.40 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.74 3.05 -1.01 1.61 5.36 -1.26 -3.08 117.98 119.91 1niy s PHE 5 Ca 0.57 1.47 -0.05 0.00 -0.96 0.00 0.00 56.93 57.97 1niy s PHE 5 Cb -0.05 -3.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1niy s PHE 5 CO 0.43 -1.69 0.61 0.41 -1.46 0.00 0.00 175.22 173.52 1niy n GLY 6 N 0.78 -0.11 3.45 13.12 0.00 -0.23 -4.92 105.19 117.27 1niy n GLY 6 Ca 0.01 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.60 3.13 -0.15 1.61 2.47 -1.18 -4.82 119.74 115.21 1niy s LYS 7 Ca 0.30 -0.64 -0.32 0.00 -1.56 0.00 0.00 55.97 53.75 1niy s LYS 7 Cb -0.13 -2.61 -0.09 0.00 -1.46 0.00 0.00 37.83 33.54 1niy s LYS 7 CO 0.37 0.38 2.05 0.41 0.16 0.00 0.00 175.35 178.72 1niy n GLY 8 N 3.05 1.25 3.35 5.54 0.00 -1.26 -1.46 105.19 115.66 1niy n GLY 8 Ca -0.18 0.85 -0.21 0.00 0.00 0.00 0.00 46.02 46.48 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 -3.43 5.72 0.14 0.00 2.47 -1.26 -4.37 114.94 114.22 1niy s ASN 10 Ca 0.35 0.23 -0.11 0.00 0.42 0.00 0.00 52.86 53.75 1niy s ASN 10 Cb 0.03 -1.81 -0.03 0.00 -1.45 0.00 0.00 41.25 37.98 1niy s ASN 10 CO 0.22 0.33 1.50 1.55 -3.72 0.00 0.00 177.10 176.97 1niy h PRO 11 N 5.57 0.94 -0.09 0.43 0.13 -1.89 -2.83 132.00 134.27 1niy h PRO 11 Ca -0.48 -0.46 -0.18 0.00 -0.87 0.00 0.00 66.00 64.01 1niy h PRO 11 Cb 1.20 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1niy h PRO 11 CO 0.61 1.12 -0.70 0.77 -0.23 0.00 0.00 178.00 179.56 1niy h SER 12 N 0.77 0.51 -2.50 1.44 0.02 -1.95 -3.33 113.55 108.51 1niy h SER 12 Ca 0.08 -0.33 -0.69 0.00 -0.84 0.00 0.00 61.79 60.01 1niy h SER 12 Cb 0.90 -0.15 -0.36 0.00 0.14 0.00 0.00 62.40 62.93 1niy h SER 12 CO 0.08 1.06 0.04 0.59 -1.14 0.00 0.00 176.83 177.46 1niy n ASN 13 N -3.86 5.04 -4.64 3.07 3.02 -1.17 -5.04 115.26 111.67 1niy n ASN 13 Ca -0.04 -3.45 -0.46 0.00 -0.03 0.00 0.00 54.58 50.59 1niy n ASN 13 Cb 0.69 -0.93 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 1niy n ASN 13 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1niy n ASP 14 N 0.97 3.48 -2.00 6.41 -0.08 -1.07 -4.18 116.55 120.07 1niy n ASP 14 Ca 0.29 0.76 -0.06 0.00 -1.51 0.00 0.00 54.79 54.27 1niy n ASP 14 Cb 0.37 -1.43 0.06 0.00 2.34 0.00 0.00 41.12 42.46 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 7.42 2.04 -2.10 -0.67 6.02 -1.26 -5.04 117.38 123.79 1niy n GLN 15 Ca 0.25 -3.44 -0.27 0.00 -0.01 0.00 0.00 57.00 53.53 1niy n GLN 15 Cb 0.34 -1.56 0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 7.68 0.00 -0.51 0.00 3.64 -1.93 -2.37 116.57 123.07 1niy h LYS 18 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1niy h LYS 18 Cb 1.16 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1niy h LYS 18 CO 0.90 0.52 0.24 0.66 -2.27 0.00 0.00 179.45 179.49 1niy h SER 19 N 0.00 0.65 -0.56 4.20 4.64 -1.97 -2.13 113.55 118.37 1niy h SER 19 Ca -0.01 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1niy h SER 19 Cb 1.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1niy h SER 19 CO 0.07 0.56 0.00 -1.20 -0.87 0.00 0.00 176.83 175.39 1niy n SER 20 N -4.37 5.53 -3.78 4.97 7.64 -1.21 -4.95 113.62 117.44 1niy n SER 20 Ca 0.04 -2.87 -0.29 0.00 1.01 0.00 0.00 58.87 56.77 1niy n SER 20 Cb 0.13 -0.67 0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 0.65 -3.25 -4.81 6.43 2.85 -0.80 -4.80 115.26 111.52 1niy n ASN 21 Ca 0.27 -1.00 -0.36 0.00 -0.11 0.00 0.00 54.58 53.37 1niy n ASN 21 Cb 1.15 -3.29 -0.07 0.00 1.24 0.00 0.00 39.78 38.80 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1niy s LEU 22 N -6.68 4.13 0.03 1.20 1.43 -0.90 -2.48 118.68 115.42 1niy s LEU 22 Ca 0.28 0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 1niy s LEU 22 Cb -0.10 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1niy s LEU 22 CO 0.87 0.38 -0.08 0.68 0.23 0.00 0.00 176.35 178.44 1niy s VAL 23 N -0.88 0.55 0.19 -1.59 -7.23 0.12 -4.55 120.40 107.01 1niy s VAL 23 Ca 0.14 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.10 1niy s VAL 23 Cb -0.12 -0.58 -0.08 0.00 0.56 0.00 0.00 36.38 36.16 1niy s VAL 23 CO 0.03 -0.26 1.24 0.00 -0.31 0.00 0.00 175.10 175.80 1niy s SER 25 N 0.24 5.10 -0.23 0.00 0.15 0.40 -4.86 113.70 114.50 1niy s SER 25 Ca 0.54 -0.06 -0.02 0.00 0.70 0.00 0.00 55.95 57.12 1niy s SER 25 Cb -0.34 -0.73 -0.13 0.00 -1.71 0.00 0.00 66.02 63.11 1niy s SER 25 CO 0.37 -1.29 -0.23 0.54 1.20 0.00 0.00 173.24 173.83 1niy n ARG 26 N -2.45 0.54 0.09 5.44 1.74 -1.26 -2.79 116.66 117.97 1niy n ARG 26 Ca 0.09 0.15 -0.04 0.00 -0.77 0.00 0.00 57.85 57.29 1niy n ARG 26 Cb 0.60 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 1niy n ARG 26 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1niy h LYS 27 N -0.23 0.00 0.00 5.56 2.10 -2.00 -3.33 116.57 118.67 1niy h LYS 27 Ca -0.53 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.11 1niy h LYS 27 Cb 1.71 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.03 1niy h LYS 27 CO -0.15 0.82 -1.73 0.72 -2.00 0.00 0.00 179.45 177.10 1niy n HIS 28 N -3.40 0.00 -3.70 0.07 8.25 -1.26 -5.01 115.22 110.17 1niy n HIS 28 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1niy n HIS 28 Cb 0.83 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 31.61 1niy n HIS 28 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1niy n ARG 29 N -2.07 -5.70 -4.20 -0.41 3.00 -1.12 -4.91 116.66 101.25 1niy n ARG 29 Ca -0.04 0.67 -0.17 0.00 -0.00 0.00 0.00 57.85 58.32 1niy n ARG 29 Cb 0.44 -5.45 -0.07 0.00 0.00 0.00 0.00 32.46 27.38 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1niy s TRP 30 N -3.49 1.41 -0.94 -0.14 1.48 -1.26 -1.16 118.94 114.84 1niy s TRP 30 Ca 0.24 -1.48 -0.22 0.00 -1.06 0.00 0.00 56.10 53.59 1niy s TRP 30 Cb -0.12 -0.46 0.08 0.00 -1.16 0.00 0.00 33.47 31.81 1niy s TRP 30 CO 0.79 -0.93 1.28 0.00 -4.06 0.00 0.00 176.95 174.03 1niy s LYS 32 N 4.11 3.20 0.17 0.00 2.20 0.78 -1.07 119.74 129.14 1niy s LYS 32 Ca 0.38 -0.11 -0.19 0.00 -0.36 0.00 0.00 55.97 55.68 1niy s LYS 32 Cb -0.04 -2.42 -0.08 0.00 -1.51 0.00 0.00 37.83 33.78 1niy s LYS 32 CO -0.06 -0.35 0.67 -0.47 -0.36 0.00 0.00 175.35 174.78 1niy s TYR 33 N -2.73 3.71 0.27 4.03 5.04 -1.26 -0.70 117.35 125.71 1niy s TYR 33 Ca 0.49 1.35 -0.25 0.00 -2.44 0.00 0.00 57.07 56.21 1niy s TYR 33 Cb -0.10 -2.58 -0.09 0.00 0.35 0.00 0.00 41.96 39.54 1niy s TYR 33 CO 0.42 0.43 0.88 -2.00 -1.34 0.00 0.00 175.55 173.94 1niy s GLU 34 N -1.69 4.56 0.00 4.97 -6.30 -1.03 -4.92 118.70 114.29 1niy s GLU 34 Ca 0.38 1.24 0.18 0.00 -2.50 0.00 0.00 54.97 54.28 1niy s GLU 34 Cb -0.18 -2.95 1.09 0.00 0.00 0.00 0.00 34.13 32.09 1niy s GLU 34 CO 0.21 0.38 1.49 1.51 0.02 0.00 0.00 175.26 178.87