#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 -6.14 4.28 0.00 0.00 1.43 -0.01 -4.76 118.68 113.48 1niy s LEU 3 Ca 0.63 0.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1niy s LEU 3 Cb -0.17 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1niy s LEU 3 CO 0.56 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.77 1niy n GLY 4 N -0.45 -0.53 3.75 -3.19 0.00 -1.26 -1.51 105.19 102.00 1niy n GLY 4 Ca -0.05 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 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 0.15 3.91 -0.60 1.61 5.36 -1.26 -3.83 117.98 123.32 1niy s PHE 5 Ca 0.00 1.77 -0.04 0.00 -0.96 0.00 0.00 56.93 57.70 1niy s PHE 5 Cb 0.00 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.77 1niy s PHE 5 CO 0.00 0.42 0.52 0.41 -1.46 0.00 0.00 175.22 175.11 1niy n GLY 6 N 1.73 0.28 3.58 13.12 0.00 -0.18 -4.92 105.19 118.80 1niy n GLY 6 Ca -0.02 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.55 3.02 -0.05 1.61 3.01 -1.25 -4.77 119.74 115.75 1niy s LYS 7 Ca 0.25 -0.52 -0.30 0.00 -1.01 0.00 0.00 55.97 54.40 1niy s LYS 7 Cb -0.11 -2.70 -0.06 0.00 -1.01 0.00 0.00 37.83 33.94 1niy s LYS 7 CO 0.32 0.56 1.80 0.20 0.51 0.00 0.00 175.35 178.75 1niy s GLY 8 N -0.53 1.40 0.34 -3.33 0.00 -1.26 -1.75 107.32 102.19 1niy s GLY 8 Ca 0.08 1.01 0.06 0.00 0.00 0.00 0.00 44.72 45.87 1niy s GLY 8 CO 0.02 3.24 0.34 0.00 0.00 0.00 0.00 173.10 176.70 1niy s ASN 10 N -3.35 5.95 0.15 0.00 0.01 -1.26 -4.46 114.94 111.98 1niy s ASN 10 Ca 0.39 0.32 -0.10 0.00 -0.71 0.00 0.00 52.86 52.75 1niy s ASN 10 Cb 0.01 -1.87 -0.01 0.00 0.41 0.00 0.00 41.25 39.80 1niy s ASN 10 CO 0.27 0.37 1.52 1.55 -1.51 0.00 0.00 177.10 179.29 1niy h PRO 11 N 5.27 0.96 -0.04 -0.60 0.13 -1.84 -2.65 132.00 133.23 1niy h PRO 11 Ca -0.51 -0.46 -0.10 0.00 -0.87 0.00 0.00 66.00 64.05 1niy h PRO 11 Cb 1.21 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1niy h PRO 11 CO 0.59 1.12 -0.46 0.77 -0.23 0.00 0.00 178.00 179.79 1niy h SER 12 N 0.81 0.10 -2.73 1.44 0.02 -1.94 -3.34 113.55 107.91 1niy h SER 12 Ca 0.09 -0.05 -0.61 0.00 -0.84 0.00 0.00 61.79 60.38 1niy h SER 12 Cb 0.89 -0.03 -0.41 0.00 0.14 0.00 0.00 62.40 62.99 1niy h SER 12 CO 0.08 0.55 -0.71 0.59 -1.14 0.00 0.00 176.83 176.21 1niy n ASN 13 N -3.99 2.08 -4.63 3.07 3.02 -1.13 -5.09 115.26 108.59 1niy n ASN 13 Ca -0.02 -3.00 -0.54 0.00 -0.03 0.00 0.00 54.58 51.00 1niy n ASN 13 Cb 0.49 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 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 2.01 1.97 -0.32 6.41 2.03 -1.01 -4.02 116.55 123.61 1niy n ASP 14 Ca 0.24 1.10 0.08 0.00 0.52 0.00 0.00 54.79 56.73 1niy n ASP 14 Cb 0.40 -1.19 0.17 0.00 -0.72 0.00 0.00 41.12 39.78 1niy n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1niy n GLN 15 N 3.56 1.52 -2.56 -0.67 6.02 -1.26 -4.98 117.38 119.01 1niy n GLN 15 Ca 0.21 -2.81 -0.24 0.00 -0.01 0.00 0.00 57.00 54.14 1niy n GLN 15 Cb 0.18 -1.57 0.04 0.00 1.02 0.00 0.00 30.24 29.90 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 4.77 0.00 -0.76 0.00 3.64 -1.92 -2.05 116.57 120.25 1niy h LYS 18 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1niy h LYS 18 Cb 1.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1niy h LYS 18 CO 0.67 0.49 0.48 1.03 -2.27 0.00 0.00 179.45 179.85 1niy h SER 19 N 0.00 0.89 -0.49 4.20 0.87 -1.95 -1.68 113.55 115.39 1niy h SER 19 Ca -0.06 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1niy h SER 19 Cb 1.51 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1niy h SER 19 CO 0.07 0.66 0.00 -1.20 -0.53 0.00 0.00 176.83 175.83 1niy n SER 20 N -4.40 5.02 -3.64 6.23 7.64 -1.25 -4.94 113.62 118.28 1niy n SER 20 Ca 0.08 -2.79 -0.30 0.00 1.01 0.00 0.00 58.87 56.87 1niy n SER 20 Cb 0.05 -0.66 0.05 0.00 -1.01 0.00 0.00 64.21 62.63 1niy n SER 20 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1niy n ASN 21 N 0.52 -5.45 -4.24 6.43 4.13 -0.63 -4.80 115.26 111.22 1niy n ASN 21 Ca 0.24 -0.98 -0.30 0.00 1.68 0.00 0.00 54.58 55.21 1niy n ASN 21 Cb 1.06 -3.58 -0.16 0.00 -1.54 0.00 0.00 39.78 35.56 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 -6.36 2.03 0.05 3.41 1.43 -0.77 -1.88 118.68 116.59 1niy s LEU 22 Ca 0.47 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1niy s LEU 22 Cb -0.16 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 1niy s LEU 22 CO 0.85 0.23 -0.11 0.68 0.23 0.00 0.00 176.35 178.22 1niy s VAL 23 N -0.13 0.88 -0.21 -1.59 -7.23 -0.80 -4.23 120.40 107.09 1niy s VAL 23 Ca -0.03 -1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 1niy s VAL 23 Cb -0.13 -0.85 -0.00 0.00 0.56 0.00 0.00 36.38 35.95 1niy s VAL 23 CO 0.03 -0.17 1.20 0.00 -0.31 0.00 0.00 175.10 175.86 1niy s SER 25 N 1.87 5.51 -0.19 0.00 0.01 0.26 -4.69 113.70 116.47 1niy s SER 25 Ca 0.52 1.01 -0.01 0.00 1.31 0.00 0.00 55.95 58.78 1niy s SER 25 Cb -0.19 -1.88 -0.21 0.00 0.21 0.00 0.00 66.02 63.95 1niy s SER 25 CO 0.14 -1.24 0.05 0.54 0.41 0.00 0.00 173.24 173.14 1niy n ARG 26 N -2.87 0.70 -0.05 12.44 1.74 -1.26 -2.10 116.66 125.26 1niy n ARG 26 Ca 0.06 0.20 -0.14 0.00 -0.77 0.00 0.00 57.85 57.19 1niy n ARG 26 Cb 0.57 -1.61 -0.08 0.00 -1.02 0.00 0.00 32.46 30.33 1niy n ARG 26 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1niy h LYS 27 N 0.03 0.44 0.00 5.56 1.57 -1.99 -3.29 116.57 118.89 1niy h LYS 27 Ca -0.51 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 57.93 1niy h LYS 27 Cb 1.97 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 1niy h LYS 27 CO -0.01 0.91 -1.26 0.72 -0.57 0.00 0.00 179.45 179.24 1niy n HIS 28 N -4.39 0.82 -3.61 -1.35 8.25 -1.26 -4.98 115.22 108.69 1niy n HIS 28 Ca -0.07 0.25 -0.22 0.00 -0.26 0.00 0.00 57.72 57.41 1niy n HIS 28 Cb 0.48 -0.92 0.07 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.66 -6.76 -4.04 -0.41 0.63 -0.89 -4.96 116.66 97.56 1niy n ARG 29 Ca -0.03 0.77 -0.14 0.00 -0.92 0.00 0.00 57.85 57.53 1niy n ARG 29 Cb 0.62 -5.72 -0.03 0.00 0.45 0.00 0.00 32.46 27.78 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 -3.38 0.89 -0.17 -0.14 1.48 -1.25 -2.45 118.94 113.92 1niy s TRP 30 Ca 0.34 -1.20 -0.29 0.00 -1.06 0.00 0.00 56.10 53.88 1niy s TRP 30 Cb -0.16 0.08 -0.00 0.00 -1.16 0.00 0.00 33.47 32.23 1niy s TRP 30 CO 0.76 -1.21 1.03 0.00 -4.06 0.00 0.00 176.95 173.47 1niy s LYS 32 N 2.63 2.46 0.02 0.00 2.20 0.36 -1.01 119.74 126.40 1niy s LYS 32 Ca 0.46 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 1niy s LYS 32 Cb -0.17 -2.26 -0.05 0.00 -1.51 0.00 0.00 37.83 33.84 1niy s LYS 32 CO 0.12 0.54 1.19 -0.47 -0.36 0.00 0.00 175.35 176.37 1niy s TYR 33 N -0.53 3.36 0.23 4.03 6.14 -1.26 -1.91 117.35 127.41 1niy s TYR 33 Ca 0.07 1.28 0.06 0.00 0.64 0.00 0.00 57.07 59.13 1niy s TYR 33 Cb -0.11 -3.41 -0.03 0.00 0.42 0.00 0.00 41.96 38.82 1niy s TYR 33 CO 0.01 -1.25 0.24 -1.21 0.64 0.00 0.00 175.55 173.97 1niy s GLU 34 N 1.43 3.08 0.00 4.97 0.41 -0.79 -5.00 118.70 122.80 1niy s GLU 34 Ca 0.58 -0.94 0.24 0.00 -0.41 0.00 0.00 54.97 54.44 1niy s GLU 34 Cb -0.28 -2.67 1.41 0.00 -1.78 0.00 0.00 34.13 30.81 1niy s GLU 34 CO 0.27 0.42 1.78 -0.89 -0.49 0.00 0.00 175.26 176.35