#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 -3.41 4.38 0.00 0.00 1.43 0.28 -4.78 118.68 116.58 1niy s LEU 3 Ca 0.31 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 1niy s LEU 3 Cb 0.06 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.73 1niy s LEU 3 CO 0.12 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1niy n GLY 4 N 1.33 -0.12 3.70 -3.19 0.00 -1.26 -1.04 105.19 104.61 1niy n GLY 4 Ca -0.13 -1.46 -0.39 0.00 0.00 0.00 0.00 46.02 44.03 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 3.50 0.00 1.61 5.36 -1.26 -4.02 117.98 123.18 1niy s PHE 5 Ca 0.00 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 1niy s PHE 5 Cb 0.00 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.95 1niy s PHE 5 CO 0.00 0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 1niy n GLY 6 N 3.33 0.92 3.39 13.12 0.00 0.13 -4.94 105.19 121.14 1niy n GLY 6 Ca -0.03 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -4.39 3.11 -0.14 1.61 3.01 -1.26 -4.78 119.74 116.91 1niy s LYS 7 Ca 0.00 -0.70 -0.35 0.00 -1.01 0.00 0.00 55.97 53.91 1niy s LYS 7 Cb 0.00 -2.54 -0.12 0.00 -1.01 0.00 0.00 37.83 34.17 1niy s LYS 7 CO 0.00 0.33 1.91 0.41 0.51 0.00 0.00 175.35 178.51 1niy n GLY 8 N 3.18 1.29 3.33 -3.33 0.00 -1.26 -1.51 105.19 106.89 1niy n GLY 8 Ca -0.18 0.88 -0.19 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 -3.35 5.28 0.36 0.00 0.01 -1.26 -4.30 114.94 111.67 1niy s ASN 10 Ca 0.39 0.10 0.18 0.00 -0.71 0.00 0.00 52.86 52.81 1niy s ASN 10 Cb 0.02 -1.46 0.63 0.00 0.41 0.00 0.00 41.25 40.85 1niy s ASN 10 CO 0.27 0.33 1.71 1.55 -1.51 0.00 0.00 177.10 179.45 1niy h PRO 11 N 4.73 0.00 0.12 -0.60 0.13 -1.87 0.27 132.00 134.78 1niy h PRO 11 Ca -0.50 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.30 1niy h PRO 11 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1niy h PRO 11 CO 0.56 0.40 -1.75 0.66 -0.23 0.00 0.00 178.00 177.65 1niy h SER 12 N 0.00 0.39 0.47 1.44 4.64 -1.95 -3.38 113.55 115.16 1niy h SER 12 Ca -0.00 -0.88 -0.30 0.00 -0.47 0.00 0.00 61.79 60.14 1niy h SER 12 Cb 0.93 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1niy h SER 12 CO 0.05 1.76 -1.39 -1.13 -0.87 0.00 0.00 176.83 175.25 1niy h ASN 13 N -0.14 0.55 -5.43 4.97 -0.73 -1.98 -3.49 115.58 109.33 1niy h ASN 13 Ca -0.38 -0.62 -0.03 0.00 1.87 0.00 0.00 56.30 57.14 1niy h ASN 13 Cb 1.90 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 40.31 1niy h ASN 13 CO 0.06 1.50 -0.83 0.47 -0.37 0.00 0.00 177.43 178.25 1niy n ASP 14 N -3.57 -7.67 -1.76 1.15 8.00 0.96 -4.92 116.55 108.73 1niy n ASP 14 Ca -0.13 0.88 -0.06 0.00 0.71 0.00 0.00 54.79 56.18 1niy n ASP 14 Cb 1.05 -4.71 0.27 0.00 -0.02 0.00 0.00 41.12 37.71 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1niy n GLN 15 N 0.32 3.13 -2.18 -1.24 6.02 -1.26 -4.99 117.38 117.18 1niy n GLN 15 Ca 0.04 -3.07 -0.28 0.00 -0.01 0.00 0.00 57.00 53.68 1niy n GLN 15 Cb 0.28 -2.10 0.03 0.00 1.02 0.00 0.00 30.24 29.46 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 8.42 0.00 -0.19 0.00 3.64 -1.91 -2.48 116.57 124.05 1niy h LYS 18 Ca -0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1niy h LYS 18 Cb 1.08 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1niy h LYS 18 CO 0.98 0.18 0.05 0.77 -2.27 0.00 0.00 179.45 179.16 1niy h SER 19 N 0.00 0.24 -0.65 4.20 0.02 -1.94 -2.06 113.55 113.36 1niy h SER 19 Ca -0.00 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.69 1niy h SER 19 Cb 0.58 -0.06 -0.14 0.00 0.14 0.00 0.00 62.40 62.91 1niy h SER 19 CO 0.02 0.24 0.24 -1.20 -1.14 0.00 0.00 176.83 175.00 1niy n SER 20 N -4.43 4.00 -3.65 3.07 7.64 -1.09 -4.95 113.62 114.22 1niy n SER 20 Ca -0.00 -3.39 -0.25 0.00 1.01 0.00 0.00 58.87 56.23 1niy n SER 20 Cb 0.14 -0.72 0.04 0.00 -1.01 0.00 0.00 64.21 62.66 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 -0.61 -3.70 -4.33 6.43 2.85 -0.77 -4.86 115.26 110.25 1niy n ASN 21 Ca 0.41 -0.91 -0.34 0.00 -0.11 0.00 0.00 54.58 53.63 1niy n ASN 21 Cb 1.31 -3.85 -0.14 0.00 1.24 0.00 0.00 39.78 38.34 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 -6.42 2.74 0.30 1.20 1.43 -0.95 -2.32 118.68 114.66 1niy s LEU 22 Ca 0.28 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1niy s LEU 22 Cb -0.08 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.43 1niy s LEU 22 CO 0.83 0.09 -0.15 -0.69 0.23 0.00 0.00 176.35 176.66 1niy s VAL 23 N 0.80 2.31 -0.02 -1.59 1.01 -0.13 -4.32 120.40 118.47 1niy s VAL 23 Ca -0.04 -2.31 -0.19 0.00 0.00 0.00 0.00 61.98 59.44 1niy s VAL 23 Cb -0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1niy s VAL 23 CO 0.01 -0.33 0.54 0.00 0.00 0.00 0.00 175.10 175.32 1niy s SER 25 N -0.23 6.33 -0.21 0.00 0.15 -0.15 -4.79 113.70 114.80 1niy s SER 25 Ca 0.29 0.24 -0.15 0.00 0.70 0.00 0.00 55.95 57.03 1niy s SER 25 Cb -0.17 -1.94 -0.19 0.00 -1.71 0.00 0.00 66.02 62.01 1niy s SER 25 CO 0.15 -0.11 0.08 -1.14 1.20 0.00 0.00 173.24 173.42 1niy n ARG 26 N -1.29 0.61 0.06 5.44 0.63 -1.26 -1.96 116.66 118.90 1niy n ARG 26 Ca -0.07 0.42 -0.09 0.00 -0.92 0.00 0.00 57.85 57.19 1niy n ARG 26 Cb 0.56 -1.67 0.03 0.00 0.45 0.00 0.00 32.46 31.84 1niy n ARG 26 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1niy h LYS 27 N -0.73 0.34 0.00 -0.14 1.57 -2.00 -3.25 116.57 112.36 1niy h LYS 27 Ca -0.46 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 57.92 1niy h LYS 27 Cb 1.56 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 1niy h LYS 27 CO -0.20 0.94 -1.44 0.72 -0.57 0.00 0.00 179.45 178.90 1niy n HIS 28 N -3.81 0.76 -3.81 -1.35 8.25 -1.26 -4.98 115.22 109.02 1niy n HIS 28 Ca -0.04 0.24 -0.26 0.00 -0.26 0.00 0.00 57.72 57.40 1niy n HIS 28 Cb 0.72 -0.96 0.03 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.72 -5.30 -2.62 -0.41 1.74 -0.83 -4.95 116.66 101.58 1niy n ARG 29 Ca -0.08 0.61 -0.06 0.00 -0.77 0.00 0.00 57.85 57.55 1niy n ARG 29 Cb 0.73 -5.34 -0.01 0.00 -1.02 0.00 0.00 32.46 26.82 1niy n ARG 29 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1niy n TRP 30 N -4.51 -1.01 -3.10 -1.55 4.27 -1.25 -2.10 117.44 108.20 1niy n TRP 30 Ca -0.12 -1.05 -0.40 0.00 -3.89 0.00 0.00 57.50 52.04 1niy n TRP 30 Cb 0.60 0.28 -0.06 0.00 -1.36 0.00 0.00 31.31 30.77 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 1.76 1.85 -0.06 0.00 2.20 0.13 -0.70 119.74 124.92 1niy s LYS 32 Ca 0.30 -1.52 -0.23 0.00 -0.36 0.00 0.00 55.97 54.16 1niy s LYS 32 Cb -0.16 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 1niy s LYS 32 CO 0.11 0.38 0.69 -0.47 -0.36 0.00 0.00 175.35 175.71 1niy s TYR 33 N -2.06 3.58 0.20 4.03 5.04 -1.26 -0.96 117.35 125.92 1niy s TYR 33 Ca 0.27 1.24 -0.07 0.00 -2.44 0.00 0.00 57.07 56.07 1niy s TYR 33 Cb -0.07 -2.80 -0.06 0.00 0.35 0.00 0.00 41.96 39.38 1niy s TYR 33 CO 0.15 0.10 0.47 -2.00 -1.34 0.00 0.00 175.55 172.92 1niy s GLU 34 N 0.76 3.70 0.00 4.97 -6.30 -0.98 -4.96 118.70 115.89 1niy s GLU 34 Ca 0.37 0.08 0.29 0.00 -2.50 0.00 0.00 54.97 53.21 1niy s GLU 34 Cb -0.18 -2.74 1.30 0.00 0.00 0.00 0.00 34.13 32.52 1niy s GLU 34 CO 0.18 0.38 1.89 -0.89 0.02 0.00 0.00 175.26 176.83