#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 1.43 3.24 0.00 0.00 1.43 -0.01 -4.78 118.68 120.00 1niy s LEU 3 Ca 0.02 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1niy s LEU 3 Cb -0.17 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1niy s LEU 3 CO -0.00 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41 1niy n GLY 4 N 3.19 -2.32 3.76 -3.19 0.00 -1.26 -1.42 105.19 103.95 1niy n GLY 4 Ca -0.18 -1.45 -0.40 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 -0.80 3.68 -0.45 1.61 5.36 -1.26 -3.53 117.98 122.59 1niy s PHE 5 Ca 0.00 1.77 -0.00 0.00 -0.96 0.00 0.00 56.93 57.74 1niy s PHE 5 Cb 0.00 -3.15 0.00 0.00 -0.34 0.00 0.00 43.02 39.53 1niy s PHE 5 CO 0.00 -0.18 0.02 0.41 -1.46 0.00 0.00 175.22 174.01 1niy n GLY 6 N 1.15 0.18 3.56 13.12 0.00 0.77 -4.91 105.19 119.06 1niy n GLY 6 Ca -0.01 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -4.35 3.48 -0.03 1.61 -0.14 -1.23 -4.77 119.74 114.32 1niy s LYS 7 Ca 0.01 -0.48 -0.33 0.00 -1.36 0.00 0.00 55.97 53.82 1niy s LYS 7 Cb -0.00 -2.89 -0.11 0.00 -1.68 0.00 0.00 37.83 33.15 1niy s LYS 7 CO 0.01 0.38 1.92 0.41 -0.76 0.00 0.00 175.35 177.31 1niy n GLY 8 N 3.13 1.62 2.99 -3.33 0.00 -1.26 -1.13 105.19 107.21 1niy n GLY 8 Ca -0.18 0.84 -0.16 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 -3.07 4.92 0.08 0.00 2.47 -1.26 -4.29 114.94 113.80 1niy s ASN 10 Ca 0.32 0.06 -0.15 0.00 0.42 0.00 0.00 52.86 53.51 1niy s ASN 10 Cb 0.01 -1.32 -0.12 0.00 -1.45 0.00 0.00 41.25 38.37 1niy s ASN 10 CO 0.23 0.37 1.35 1.55 -3.72 0.00 0.00 177.10 176.88 1niy h PRO 11 N 5.22 0.66 -0.67 0.43 0.13 -1.87 -2.14 132.00 133.76 1niy h PRO 11 Ca -0.50 -0.42 -0.07 0.00 -0.87 0.00 0.00 66.00 64.15 1niy h PRO 11 Cb 1.18 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1niy h PRO 11 CO 0.53 1.04 0.15 1.03 -0.23 0.00 0.00 178.00 180.52 1niy h SER 12 N 0.36 1.03 -2.48 1.44 0.87 -1.95 -3.31 113.55 109.50 1niy h SER 12 Ca 0.01 -0.24 -0.61 0.00 -1.23 0.00 0.00 61.79 59.73 1niy h SER 12 Cb 1.00 -0.27 -0.42 0.00 -0.44 0.00 0.00 62.40 62.28 1niy h SER 12 CO 0.09 1.00 -0.61 0.59 -0.53 0.00 0.00 176.83 177.37 1niy n ASN 13 N -4.27 3.34 -4.66 6.23 3.02 -1.21 -5.08 115.26 112.63 1niy n ASN 13 Ca 0.04 -3.33 -0.46 0.00 -0.03 0.00 0.00 54.58 50.80 1niy n ASN 13 Cb 0.26 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.70 1niy n ASN 13 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1niy n ASP 14 N 1.26 2.69 -0.60 6.41 5.75 -0.81 -4.22 116.55 127.04 1niy n ASP 14 Ca 0.26 1.12 0.06 0.00 -0.01 0.00 0.00 54.79 56.22 1niy n ASP 14 Cb 0.40 -1.39 0.16 0.00 -1.03 0.00 0.00 41.12 39.26 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1niy n GLN 15 N 2.62 1.25 -1.68 0.11 6.02 -1.26 -4.99 117.38 119.45 1niy n GLN 15 Ca 0.15 -2.88 -0.29 0.00 -0.01 0.00 0.00 57.00 53.96 1niy n GLN 15 Cb 0.29 -1.34 0.14 0.00 1.02 0.00 0.00 30.24 30.35 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 7.19 0.00 -0.64 0.00 1.79 -1.92 -2.71 116.57 120.28 1niy h LYS 18 Ca -0.31 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.14 1niy h LYS 18 Cb 1.14 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.76 1niy h LYS 18 CO 0.84 0.49 0.32 0.77 -1.08 0.00 0.00 179.45 180.79 1niy h SER 19 N 0.00 0.81 -0.49 0.86 0.02 -1.97 -1.99 113.55 110.79 1niy h SER 19 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1niy h SER 19 Cb 1.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1niy h SER 19 CO 0.06 0.68 0.00 -1.54 -1.14 0.00 0.00 176.83 174.90 1niy n SER 20 N -4.35 4.78 -3.66 3.07 3.41 -1.19 -4.96 113.62 110.72 1niy n SER 20 Ca 0.06 -2.70 -0.26 0.00 -0.26 0.00 0.00 58.87 55.71 1niy n SER 20 Cb 0.12 -0.63 0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1niy n ASN 21 N 0.59 -5.47 -4.52 4.04 3.02 -0.75 -4.81 115.26 107.36 1niy n ASN 21 Ca 0.23 -0.87 -0.33 0.00 -0.03 0.00 0.00 54.58 53.57 1niy n ASN 21 Cb 0.99 -2.96 -0.12 0.00 -0.61 0.00 0.00 39.78 37.08 1niy n ASN 21 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1niy s LEU 22 N -5.69 3.02 -0.02 3.41 1.43 -1.03 -2.74 118.68 117.06 1niy s LEU 22 Ca 0.25 -0.11 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 1niy s LEU 22 Cb -0.10 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.45 1niy s LEU 22 CO 0.87 0.32 -0.23 0.68 0.23 0.00 0.00 176.35 178.22 1niy s VAL 23 N -0.54 1.79 0.03 -1.59 -7.23 0.06 -4.62 120.40 108.30 1niy s VAL 23 Ca 0.08 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.98 1niy s VAL 23 Cb -0.12 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 1niy s VAL 23 CO 0.02 0.51 1.28 0.00 -0.31 0.00 0.00 175.10 176.59 1niy s SER 25 N 1.34 7.16 0.40 0.00 0.15 0.59 -4.79 113.70 118.56 1niy s SER 25 Ca 0.60 1.38 0.22 0.00 0.70 0.00 0.00 55.95 58.86 1niy s SER 25 Cb -0.30 -2.43 0.28 0.00 -1.71 0.00 0.00 66.02 61.86 1niy s SER 25 CO 0.27 0.11 1.54 0.08 1.20 0.00 0.00 173.24 176.43 1niy h ARG 26 N 5.28 0.00 0.07 5.44 -0.00 -1.94 -0.35 114.38 122.87 1niy h ARG 26 Ca -0.46 0.00 -0.35 0.00 -0.00 0.00 0.00 59.98 59.18 1niy h ARG 26 Cb 1.21 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.14 1niy h ARG 26 CO 0.69 0.03 -1.96 1.17 -0.00 0.00 0.00 179.97 179.90 1niy n LYS 27 N -3.06 0.69 0.02 0.08 4.81 -1.26 -4.29 118.16 115.14 1niy n LYS 27 Ca 0.03 0.31 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1niy n LYS 27 Cb 0.55 -1.67 0.23 0.00 0.02 0.00 0.00 35.03 34.15 1niy n LYS 27 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1niy n HIS 28 N -3.72 0.15 -3.84 5.64 8.25 -1.25 -4.96 115.22 115.48 1niy n HIS 28 Ca -0.36 0.04 -0.27 0.00 -0.26 0.00 0.00 57.72 56.87 1niy n HIS 28 Cb 0.94 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.68 -5.27 -2.13 -0.41 1.74 -0.14 -4.95 116.66 103.82 1niy n ARG 29 Ca 0.05 0.60 -0.03 0.00 -0.77 0.00 0.00 57.85 57.69 1niy n ARG 29 Cb 0.37 -5.36 -0.01 0.00 -1.02 0.00 0.00 32.46 26.44 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 -4.54 -0.64 -3.19 -1.55 4.27 -1.23 -1.69 117.44 108.87 1niy n TRP 30 Ca -0.08 -0.53 -0.42 0.00 -3.89 0.00 0.00 57.50 52.57 1niy n TRP 30 Cb 0.58 0.12 -0.07 0.00 -1.36 0.00 0.00 31.31 30.58 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 2.54 2.71 0.11 0.00 2.20 0.12 -0.16 119.74 127.25 1niy s LYS 32 Ca 0.20 -1.34 0.04 0.00 -0.36 0.00 0.00 55.97 54.50 1niy s LYS 32 Cb -0.15 -2.72 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 1niy s LYS 32 CO 0.15 -0.40 0.11 -0.47 -0.36 0.00 0.00 175.35 174.39 1niy s TYR 33 N -2.42 3.19 -0.45 4.03 5.04 -1.26 -0.76 117.35 124.72 1niy s TYR 33 Ca 0.56 0.05 -0.29 0.00 -2.44 0.00 0.00 57.07 54.95 1niy s TYR 33 Cb -0.09 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.65 1niy s TYR 33 CO 0.34 0.52 1.26 -1.21 -1.34 0.00 0.00 175.55 175.12 1niy s GLU 34 N -2.66 3.66 0.00 4.97 2.02 -1.11 -4.86 118.70 120.72 1niy s GLU 34 Ca 0.30 0.72 0.27 0.00 0.02 0.00 0.00 54.97 56.29 1niy s GLU 34 Cb -0.11 -3.96 0.87 0.00 0.10 0.00 0.00 34.13 31.02 1niy s GLU 34 CO 0.23 -1.46 1.64 -0.89 0.02 0.00 0.00 175.26 174.79