#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3j n ILE 2 N 0.00 -4.33 -3.82 0.00 5.41 -1.26 -5.02 119.36 110.33 1q3j n ILE 2 Ca 0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 62.75 63.28 1q3j n ILE 2 Cb 0.00 -4.30 -0.14 0.00 -0.71 0.00 0.00 39.64 34.48 1q3j n ILE 2 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1q3j s LYS 3 N -5.18 0.03 0.30 0.38 -0.14 -1.26 -4.90 119.74 108.96 1q3j s LYS 3 Ca 0.06 0.13 -0.29 0.00 -1.36 0.00 0.00 55.97 54.51 1q3j s LYS 3 Cb -0.03 -0.08 -0.10 0.00 -1.68 0.00 0.00 37.83 35.94 1q3j s LYS 3 CO 0.57 -0.07 1.34 0.54 -0.76 0.00 0.00 175.35 176.97 1q3j s ASN 4 N 0.47 6.75 0.00 2.83 2.20 -1.24 -2.31 114.94 123.63 1q3j s ASN 4 Ca -0.04 2.65 0.00 0.00 -0.94 0.00 0.00 52.86 54.54 1q3j s ASN 4 Cb -0.05 -2.64 0.00 0.00 -2.00 0.00 0.00 41.25 36.56 1q3j s ASN 4 CO -0.02 -0.58 0.00 0.61 -2.94 0.00 0.00 177.10 174.17 1q3j n GLY 5 N 1.34 3.35 3.72 0.45 0.00 -0.49 -4.95 105.19 108.60 1q3j n GLY 5 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1q3j n GLY 5 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q3j s ASN 6 N -0.77 6.71 0.26 1.61 2.47 -0.98 -4.70 114.94 119.54 1q3j s ASN 6 Ca 0.00 2.48 -0.30 0.00 0.42 0.00 0.00 52.86 55.46 1q3j s ASN 6 Cb 0.00 -2.59 -0.11 0.00 -1.45 0.00 0.00 41.25 37.10 1q3j s ASN 6 CO 0.00 -0.73 1.53 -0.83 -3.72 0.00 0.00 177.10 173.35 1q3j s GLY 7 N 1.04 2.12 0.00 1.21 0.00 -1.26 0.19 107.32 110.62 1q3j s GLY 7 Ca 0.66 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.84 1q3j s GLY 7 CO 0.32 2.46 0.00 0.00 0.00 0.00 0.00 173.10 175.88 1q3j s GLN 9 N -0.83 1.00 -1.16 0.00 -1.52 -0.86 -2.87 119.66 113.42 1q3j s GLN 9 Ca 0.00 -1.94 -0.20 0.00 -1.95 0.00 0.00 55.36 51.28 1q3j s GLN 9 Cb 0.00 -1.74 -0.04 0.00 -0.22 0.00 0.00 33.01 31.00 1q3j s GLN 9 CO 0.00 -1.27 1.92 -0.35 -0.25 0.00 0.00 175.29 175.34 1q3j n PRO 10 N 3.31 2.20 0.00 2.91 -0.04 -1.26 0.17 135.00 142.30 1q3j n PRO 10 Ca 0.19 -2.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.08 1q3j n PRO 10 Cb 0.40 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.45 1q3j n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1q3j n ASN 11 N 9.94 0.00 0.00 3.54 5.15 -1.26 -4.27 115.26 128.35 1q3j n ASN 11 Ca 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.46 1q3j n ASN 11 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1q3j n GLY 12 N 0.00 -0.00 2.20 8.20 0.00 -1.26 -5.02 105.19 109.31 1q3j n GLY 12 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1q3j n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q3j n SER 13 N 0.00 -3.64 -3.64 1.61 3.41 -1.26 -5.14 113.62 104.95 1q3j n SER 13 Ca 0.00 0.80 -0.03 0.00 -0.26 0.00 0.00 58.87 59.37 1q3j n SER 13 Cb 0.00 3.44 -0.07 0.00 -0.26 0.00 0.00 64.21 67.32 1q3j n SER 13 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1q3j s GLN 14 N -2.00 0.33 0.00 4.33 0.74 -1.26 -5.13 119.66 116.67 1q3j s GLN 14 Ca 0.00 0.50 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1q3j s GLN 14 Cb 0.00 0.10 0.00 0.00 1.10 0.00 0.00 33.01 34.21 1q3j s GLN 14 CO 0.00 -0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.09 1q3j n GLY 15 N 3.00 3.22 3.64 2.59 0.00 -1.26 -4.63 105.19 111.76 1q3j n GLY 15 Ca -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 1q3j n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3j s ASN 16 N 0.00 -0.10 0.36 1.61 4.22 -1.14 -4.74 114.94 115.15 1q3j s ASN 16 Ca 0.00 0.13 -0.26 0.00 -2.14 0.00 0.00 52.86 50.59 1q3j s ASN 16 Cb 0.00 0.12 -0.09 0.00 1.28 0.00 0.00 41.25 42.56 1q3j s ASN 16 CO 0.00 -0.07 1.08 0.00 -2.04 0.00 0.00 177.10 176.08 1q3j n SER 19 N -5.03 0.33 0.00 0.00 7.64 -1.26 -5.06 113.62 110.23 1q3j n SER 19 Ca -0.09 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1q3j n SER 19 Cb 0.24 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1q3j n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q3j n GLY 20 N 0.43 4.03 3.54 0.23 0.00 -1.26 -4.84 105.19 107.32 1q3j n GLY 20 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1q3j n GLY 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q3j s TYR 21 N 2.85 -1.38 0.29 1.61 5.04 -1.19 -4.73 117.35 119.84 1q3j s TYR 21 Ca 0.00 2.18 -0.22 0.00 -2.44 0.00 0.00 57.07 56.59 1q3j s TYR 21 Cb 0.00 0.75 -0.09 0.00 0.35 0.00 0.00 41.96 42.97 1q3j s TYR 21 CO 0.00 -0.70 0.83 0.00 -1.34 0.00 0.00 175.55 174.34 1q3j s HIS 23 N -1.68 -0.20 -0.26 0.00 2.46 -0.35 -4.79 115.29 110.47 1q3j s HIS 23 Ca 0.49 0.64 -0.12 0.00 0.47 0.00 0.00 55.06 56.53 1q3j s HIS 23 Cb -0.16 -0.23 0.09 0.00 -0.13 0.00 0.00 32.58 32.16 1q3j s HIS 23 CO 0.21 -0.27 0.61 0.21 -2.47 0.00 0.00 174.74 173.02 1q3j s LYS 24 N 2.22 0.58 0.08 2.88 2.20 -1.26 -1.69 119.74 124.75 1q3j s LYS 24 Ca 0.02 1.22 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1q3j s LYS 24 Cb -0.12 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 1q3j s LYS 24 CO -0.06 -0.18 0.00 1.04 -0.36 0.00 0.00 175.35 175.79 1q3j n GLN 25 N 4.81 0.00 0.00 4.03 6.02 -1.26 -5.05 117.38 125.93 1q3j n GLN 25 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1q3j n GLN 25 Cb 0.54 -0.33 0.00 0.00 1.02 0.00 0.00 30.24 31.47 1q3j n GLN 25 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1q3j n PRO 26 N -3.22 2.10 -0.07 -1.09 -0.04 -1.26 -5.03 135.00 126.39 1q3j n PRO 26 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1q3j n PRO 26 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1q3j n PRO 26 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1q3j h GLY 27 N 0.00 0.00 -5.80 0.55 0.00 -1.98 -3.47 103.07 92.37 1q3j h GLY 27 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1q3j h GLY 27 CO 0.00 0.00 -0.34 -2.67 0.00 0.00 0.00 176.54 173.53 1q3j n TRP 28 N -4.60 -0.45 0.00 5.60 2.14 -1.26 -2.41 117.44 116.46 1q3j n TRP 28 Ca -0.12 0.21 0.00 0.00 2.07 0.00 0.00 57.50 59.65 1q3j n TRP 28 Cb 0.43 -0.99 0.00 0.00 -0.81 0.00 0.00 31.31 29.94 1q3j n TRP 28 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1q3j n VAL 29 N -2.27 0.00 -3.61 -1.67 0.31 -1.26 -4.66 118.33 105.16 1q3j n VAL 29 Ca -0.11 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1q3j n VAL 29 Cb 0.25 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.12 1q3j n VAL 29 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q3j s ALA 30 N 0.00 -2.01 0.37 3.52 0.00 -1.01 -4.41 121.76 118.21 1q3j s ALA 30 Ca 0.00 1.72 -0.28 0.00 0.00 0.00 0.00 51.96 53.40 1q3j s ALA 30 Cb 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.86 1q3j s ALA 30 CO 0.00 -0.25 1.38 0.20 0.00 0.00 0.00 175.76 177.09 1q3j s GLY 31 N -0.66 2.96 0.09 0.00 0.00 0.13 -4.86 107.32 104.99 1q3j s GLY 31 Ca 0.02 1.39 0.09 0.00 0.00 0.00 0.00 44.72 46.22 1q3j s GLY 31 CO -0.04 2.04 -0.22 -2.52 0.00 0.00 0.00 173.10 172.36 1q3j s TYR 32 N -1.16 1.92 0.15 1.90 -0.85 -0.68 0.31 117.35 118.93 1q3j s TYR 32 Ca 0.52 -0.40 -0.31 0.00 -0.52 0.00 0.00 57.07 56.37 1q3j s TYR 32 Cb -0.42 -1.07 -0.08 0.00 0.38 0.00 0.00 41.96 40.77 1q3j s TYR 32 CO 0.56 0.20 1.31 0.00 -1.52 0.00 0.00 175.55 176.11 1q3j n ARG 34 N 3.31 3.90 0.00 0.00 0.63 0.16 -1.40 116.66 123.26 1q3j n ARG 34 Ca 0.08 -2.85 0.00 0.00 -0.92 0.00 0.00 57.85 54.16 1q3j n ARG 34 Cb 0.43 -2.17 0.00 0.00 0.45 0.00 0.00 32.46 31.17 1q3j n ARG 34 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1q3j n ARG 35 N 0.13 0.00 0.00 -0.14 0.63 -1.25 -4.81 116.66 111.22 1q3j n ARG 35 Ca 0.34 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.27 1q3j n ARG 35 Cb 1.25 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.16 1q3j n ARG 35 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48