#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 -3.17 4.36 0.00 0.00 1.43 -0.77 -4.80 118.68 115.73 1niy s LEU 3 Ca 0.34 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1niy s LEU 3 Cb 0.04 -2.77 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1niy s LEU 3 CO 0.15 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.57 1niy n GLY 4 N 1.05 -0.88 3.80 -3.19 0.00 -1.26 -1.96 105.19 102.75 1niy n GLY 4 Ca -0.10 -1.54 -0.38 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 0.00 3.77 -0.69 1.61 5.36 -1.26 -4.08 117.98 122.69 1niy s PHE 5 Ca 0.00 1.43 -0.03 0.00 -0.96 0.00 0.00 56.93 57.38 1niy s PHE 5 Cb 0.00 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 40.05 1niy s PHE 5 CO 0.00 0.46 0.59 0.41 -1.46 0.00 0.00 175.22 175.22 1niy n GLY 6 N 1.24 0.08 3.16 13.12 0.00 0.56 -4.94 105.19 118.41 1niy n GLY 6 Ca -0.05 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -5.26 2.93 -0.04 1.61 -0.14 -1.26 -4.81 119.74 112.77 1niy s LYS 7 Ca 0.17 -0.82 -0.33 0.00 -1.36 0.00 0.00 55.97 53.62 1niy s LYS 7 Cb -0.08 -2.37 -0.11 0.00 -1.68 0.00 0.00 37.83 33.59 1niy s LYS 7 CO 0.39 -0.01 1.87 0.41 -0.76 0.00 0.00 175.35 177.25 1niy n GLY 8 N 4.07 1.51 2.64 -3.33 0.00 -1.26 -0.81 105.19 108.01 1niy n GLY 8 Ca -0.20 0.84 -0.17 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.93 6.76 0.42 0.00 3.84 -1.26 -4.52 114.94 117.24 1niy s ASN 10 Ca 0.31 0.90 0.21 0.00 0.21 0.00 0.00 52.86 54.49 1niy s ASN 10 Cb 0.01 -2.29 0.85 0.00 -0.55 0.00 0.00 41.25 39.27 1niy s ASN 10 CO 0.22 0.08 1.81 1.55 -2.79 0.00 0.00 177.10 177.96 1niy h PRO 11 N 6.14 0.00 0.09 0.43 0.13 -1.85 0.31 132.00 137.26 1niy h PRO 11 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1niy h PRO 11 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1niy h PRO 11 CO 0.72 0.29 -1.78 0.43 -0.23 0.00 0.00 178.00 177.42 1niy n SER 12 N -3.50 2.05 0.09 1.44 7.64 -1.26 -4.39 113.62 115.69 1niy n SER 12 Ca -0.00 0.28 -0.17 0.00 1.01 0.00 0.00 58.87 59.98 1niy n SER 12 Cb 0.45 -0.90 -0.14 0.00 -1.01 0.00 0.00 64.21 62.60 1niy n SER 12 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 1niy h ASN 13 N -0.24 0.46 -5.26 6.43 -1.24 -1.98 -3.50 115.58 110.25 1niy h ASN 13 Ca -0.40 -0.56 -0.00 0.00 0.71 0.00 0.00 56.30 56.05 1niy h ASN 13 Cb 1.83 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.73 1niy h ASN 13 CO 0.00 1.45 -0.98 0.47 -1.29 0.00 0.00 177.43 177.09 1niy n ASP 14 N -3.52 -7.92 -1.99 1.15 8.00 0.11 -4.92 116.55 107.47 1niy n ASP 14 Ca -0.13 1.31 -0.20 0.00 0.71 0.00 0.00 54.79 56.47 1niy n ASP 14 Cb 1.04 -5.03 0.18 0.00 -0.02 0.00 0.00 41.12 37.29 1niy n ASP 14 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1niy n GLN 15 N 0.70 2.20 -2.39 -1.24 7.27 -1.26 -4.95 117.38 117.72 1niy n GLN 15 Ca 0.01 -3.09 -0.28 0.00 0.07 0.00 0.00 57.00 53.71 1niy n GLN 15 Cb 0.07 -2.10 0.01 0.00 2.41 0.00 0.00 30.24 30.63 1niy n GLN 15 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1niy h LYS 18 N 7.36 0.00 -0.59 0.00 1.63 -1.92 -1.83 116.57 121.22 1niy h LYS 18 Ca -0.35 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1niy h LYS 18 Cb 1.17 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 1niy h LYS 18 CO 0.87 0.63 0.35 1.03 -3.45 0.00 0.00 179.45 178.88 1niy h SER 19 N 0.00 0.70 -0.51 4.20 0.87 -1.95 -1.68 113.55 115.19 1niy h SER 19 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1niy h SER 19 Cb 1.27 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1niy h SER 19 CO 0.08 0.54 0.00 -1.20 -0.53 0.00 0.00 176.83 175.73 1niy n SER 20 N -4.41 5.04 -3.89 6.23 7.64 -1.22 -4.92 113.62 118.09 1niy n SER 20 Ca 0.06 -2.77 -0.28 0.00 1.01 0.00 0.00 58.87 56.88 1niy n SER 20 Cb 0.08 -0.65 0.02 0.00 -1.01 0.00 0.00 64.21 62.64 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 0.58 -3.40 -4.81 6.43 5.15 -0.63 -4.92 115.26 113.66 1niy n ASN 21 Ca 0.24 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 53.02 1niy n ASN 21 Cb 1.05 -3.76 -0.07 0.00 -0.53 0.00 0.00 39.78 36.48 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1niy s LEU 22 N -7.11 4.35 0.03 1.20 1.43 -0.69 -3.36 118.68 114.53 1niy s LEU 22 Ca 0.45 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 1niy s LEU 22 Cb -0.23 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1niy s LEU 22 CO 0.84 0.29 -0.11 0.68 0.23 0.00 0.00 176.35 178.28 1niy s VAL 23 N -0.49 0.85 -0.20 -1.59 -7.23 -0.68 -4.33 120.40 106.72 1niy s VAL 23 Ca 0.16 -0.85 -0.29 0.00 -1.81 0.00 0.00 61.98 59.19 1niy s VAL 23 Cb -0.13 -0.79 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 1niy s VAL 23 CO 0.05 -0.05 1.23 0.00 -0.31 0.00 0.00 175.10 176.02 1niy s SER 25 N 1.96 4.00 -0.26 0.00 0.15 -0.00 -4.74 113.70 114.80 1niy s SER 25 Ca 0.53 0.55 -0.12 0.00 0.70 0.00 0.00 55.95 57.62 1niy s SER 25 Cb -0.20 -0.88 -0.11 0.00 -1.71 0.00 0.00 66.02 63.12 1niy s SER 25 CO 0.14 -2.20 -0.32 -1.14 1.20 0.00 0.00 173.24 170.92 1niy n ARG 26 N -3.46 0.55 -0.14 5.44 0.63 -1.26 -2.51 116.66 115.91 1niy n ARG 26 Ca 0.11 0.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.18 1niy n ARG 26 Cb 0.60 -1.42 -0.01 0.00 0.45 0.00 0.00 32.46 32.08 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 -0.84 0.62 0.00 -0.14 3.64 -2.00 -3.12 116.57 114.73 1niy h LYS 27 Ca -0.65 -0.14 -0.09 0.00 -1.27 0.00 0.00 60.65 58.51 1niy h LYS 27 Cb 1.59 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1niy h LYS 27 CO -0.37 0.62 -1.28 0.72 -2.27 0.00 0.00 179.45 176.87 1niy n HIS 28 N -4.60 0.91 -3.71 1.91 8.25 -1.26 -4.98 115.22 111.74 1niy n HIS 28 Ca -0.00 0.29 -0.24 0.00 -0.26 0.00 0.00 57.72 57.51 1niy n HIS 28 Cb 0.18 -1.00 0.04 0.00 1.12 0.00 0.00 29.99 30.33 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 -2.76 -5.69 -4.03 -0.41 0.63 -1.04 -4.95 116.66 98.40 1niy n ARG 29 Ca -0.06 0.67 -0.12 0.00 -0.92 0.00 0.00 57.85 57.42 1niy n ARG 29 Cb 0.70 -5.45 -0.04 0.00 0.45 0.00 0.00 32.46 28.13 1niy n ARG 29 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1niy s TRP 30 N -3.48 0.73 -0.10 -0.14 1.48 -1.25 -1.90 118.94 114.28 1niy s TRP 30 Ca 0.26 -1.06 -0.30 0.00 -1.06 0.00 0.00 56.10 53.94 1niy s TRP 30 Cb -0.12 0.10 -0.02 0.00 -1.16 0.00 0.00 33.47 32.26 1niy s TRP 30 CO 0.80 -1.13 1.18 0.00 -4.06 0.00 0.00 176.95 173.73 1niy s LYS 32 N 2.52 0.68 -0.17 0.00 2.20 -0.16 -0.33 119.74 124.48 1niy s LYS 32 Ca 0.54 -0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 55.07 1niy s LYS 32 Cb -0.23 -0.57 -0.01 0.00 -1.51 0.00 0.00 37.83 35.51 1niy s LYS 32 CO 0.19 0.13 1.14 -0.47 -0.36 0.00 0.00 175.35 175.98 1niy s TYR 33 N -1.18 3.14 0.49 4.03 6.14 -1.26 -1.69 117.35 127.02 1niy s TYR 33 Ca -0.05 1.27 -0.23 0.00 0.64 0.00 0.00 57.07 58.70 1niy s TYR 33 Cb -0.09 -3.37 -0.06 0.00 0.42 0.00 0.00 41.96 38.85 1niy s TYR 33 CO 0.01 -1.04 1.27 -1.83 0.64 0.00 0.00 175.55 174.60 1niy s GLU 34 N 3.10 3.51 0.00 4.97 -1.05 -1.21 -5.01 118.70 123.01 1niy s GLU 34 Ca 0.50 2.03 0.27 0.00 -0.15 0.00 0.00 54.97 57.63 1niy s GLU 34 Cb -0.19 -2.39 0.94 0.00 -0.44 0.00 0.00 34.13 32.06 1niy s GLU 34 CO 0.12 -0.83 1.68 1.51 0.95 0.00 0.00 175.26 178.70