#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3j s ILE 2 N 0.00 3.46 0.00 0.00 1.01 -1.26 -4.69 121.20 119.71 1q3j s ILE 2 Ca 0.00 0.55 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1q3j s ILE 2 Cb 0.00 -3.37 0.06 0.00 0.01 0.00 0.00 42.46 39.17 1q3j s ILE 2 CO 0.00 -0.06 0.85 1.17 0.00 0.00 0.00 174.94 176.89 1q3j n LYS 3 N 7.28 0.00 -2.08 2.79 4.81 -1.26 -5.10 118.16 124.60 1q3j n LYS 3 Ca 0.18 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.83 1q3j n LYS 3 Cb 0.43 0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1q3j n LYS 3 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1q3j n ASN 4 N 0.08 -8.94 -1.38 3.14 4.13 -1.25 -4.57 115.26 106.45 1q3j n ASN 4 Ca -0.08 1.41 -0.16 0.00 1.68 0.00 0.00 54.58 57.44 1q3j n ASN 4 Cb 0.70 -5.10 -0.05 0.00 -1.54 0.00 0.00 39.78 33.79 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1q3j n GLY 5 N 1.73 1.03 3.90 7.41 0.00 0.10 -4.89 105.19 114.47 1q3j n GLY 5 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.67 5.83 -0.90 1.61 3.84 -1.26 -4.64 114.94 116.75 1q3j s ASN 6 Ca 0.00 0.93 -0.25 0.00 0.21 0.00 0.00 52.86 53.75 1q3j s ASN 6 Cb 0.00 -1.98 -0.10 0.00 -0.55 0.00 0.00 41.25 38.62 1q3j s ASN 6 CO 0.00 -0.96 2.14 -0.83 -2.79 0.00 0.00 177.10 174.66 1q3j s GLY 7 N -4.25 -0.32 0.03 1.21 0.00 -1.26 -0.77 107.32 101.97 1q3j s GLY 7 Ca 0.53 -1.29 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1q3j s GLY 7 CO 0.47 3.85 0.94 0.00 0.00 0.00 0.00 173.10 178.36 1q3j n GLN 9 N -3.38 0.90 0.02 0.00 7.27 -0.29 -1.97 117.38 119.93 1q3j n GLN 9 Ca -0.12 -2.22 -0.18 0.00 0.07 0.00 0.00 57.00 54.55 1q3j n GLN 9 Cb 1.02 -1.30 -0.13 0.00 2.41 0.00 0.00 30.24 32.25 1q3j n GLN 9 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1q3j h PRO 10 N 3.45 0.33 0.07 3.69 0.13 -1.72 0.34 132.00 138.30 1q3j h PRO 10 Ca -0.07 -0.43 -0.25 0.00 -0.87 0.00 0.00 66.00 64.38 1q3j h PRO 10 Cb 1.03 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1q3j h PRO 10 CO 0.29 1.14 -1.15 -2.95 -0.23 0.00 0.00 178.00 175.09 1q3j h ASN 11 N -0.27 0.24 0.00 1.44 7.08 -1.88 -3.41 115.58 118.78 1q3j h ASN 11 Ca -0.09 -0.26 0.00 0.00 -3.08 0.00 0.00 56.30 52.87 1q3j h ASN 11 Cb 1.40 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.57 1q3j h ASN 11 CO 0.12 1.20 0.00 0.61 -2.08 0.00 0.00 177.43 177.28 1q3j n GLY 12 N 1.46 2.02 0.07 9.14 0.00 -1.26 -4.93 105.19 111.70 1q3j n GLY 12 Ca -0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1q3j n GLY 12 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1q3j h SER 13 N 2.00 -0.04 0.00 1.61 0.02 -1.93 -3.49 113.55 111.72 1q3j h SER 13 Ca 0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1q3j h SER 13 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1q3j h SER 13 CO 0.00 0.38 0.00 1.67 -1.14 0.00 0.00 176.83 177.74 1q3j n GLN 14 N -4.91 0.00 0.00 3.45 7.27 -1.26 -5.09 117.38 116.84 1q3j n GLN 14 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1q3j n GLN 14 Cb 0.22 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.87 1q3j n GLN 14 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q3j n GLY 15 N 0.00 3.13 2.71 1.69 0.00 -0.83 -3.42 105.19 108.47 1q3j n GLY 15 Ca 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1q3j n GLY 15 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q3j n ASN 16 N 0.00 1.97 -4.05 1.61 2.04 -0.64 -5.00 115.26 111.20 1q3j n ASN 16 Ca 0.00 -2.37 -0.31 0.00 -0.44 0.00 0.00 54.58 51.46 1q3j n ASN 16 Cb 0.00 -0.47 -0.16 0.00 -2.53 0.00 0.00 39.78 36.62 1q3j n ASN 16 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1q3j n SER 19 N -5.07 -0.72 0.00 0.00 7.64 -1.26 -4.95 113.62 109.26 1q3j n SER 19 Ca -0.03 -2.38 0.10 0.00 1.01 0.00 0.00 58.87 57.57 1q3j n SER 19 Cb 0.08 0.45 0.47 0.00 -1.01 0.00 0.00 64.21 64.20 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 -0.77 -1.07 2.44 0.23 0.00 -1.26 -4.93 105.19 99.82 1q3j n GLY 20 Ca -0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 1q3j n GLY 20 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1q3j n TYR 21 N -1.39 -2.03 -1.69 1.61 9.36 -1.26 -1.28 117.16 120.48 1q3j n TYR 21 Ca 0.07 0.79 -0.42 0.00 3.32 0.00 0.00 57.90 61.66 1q3j n TYR 21 Cb 0.20 -3.16 -0.03 0.00 -0.63 0.00 0.00 39.34 35.72 1q3j n TYR 21 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1q3j s HIS 23 N 3.01 2.71 -0.12 0.00 2.46 -0.43 -4.95 115.29 117.98 1q3j s HIS 23 Ca 0.83 -1.60 -0.06 0.00 0.47 0.00 0.00 55.06 54.71 1q3j s HIS 23 Cb -0.47 -1.88 0.05 0.00 -0.13 0.00 0.00 32.58 30.15 1q3j s HIS 23 CO 0.38 -0.79 0.27 0.21 -2.47 0.00 0.00 174.74 172.34 1q3j s LYS 24 N 1.30 0.22 0.04 2.88 2.20 -1.26 -2.14 119.74 122.97 1q3j s LYS 24 Ca 0.05 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1q3j s LYS 24 Cb -0.13 -0.08 -0.02 0.00 -1.51 0.00 0.00 37.83 36.08 1q3j s LYS 24 CO -0.12 -0.19 0.02 -0.65 -0.36 0.00 0.00 175.35 174.04 1q3j s GLN 25 N 1.56 0.54 -0.23 4.03 -0.21 -1.26 -5.09 119.66 119.00 1q3j s GLN 25 Ca -0.07 -0.91 -0.33 0.00 0.02 0.00 0.00 55.36 54.07 1q3j s GLN 25 Cb -0.11 0.20 -0.10 0.00 1.00 0.00 0.00 33.01 34.00 1q3j s GLN 25 CO -0.09 -0.11 2.08 -0.35 -2.12 0.00 0.00 175.29 174.70 1q3j n PRO 26 N 0.69 1.67 0.00 2.91 -0.04 -1.26 -3.28 135.00 135.69 1q3j n PRO 26 Ca -0.18 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 63.80 1q3j n PRO 26 Cb 0.59 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1q3j n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q3j n GLY 27 N 5.58 2.10 3.64 0.55 0.00 -1.26 -5.13 105.19 110.67 1q3j n GLY 27 Ca 0.32 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1q3j n GLY 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1q3j s TRP 28 N 0.00 2.86 0.05 1.61 -2.14 -1.20 -5.05 118.94 115.07 1q3j s TRP 28 Ca 0.00 -0.10 -0.12 0.00 2.66 0.00 0.00 56.10 58.54 1q3j s TRP 28 Cb 0.00 -1.46 -0.33 0.00 -3.10 0.00 0.00 33.47 28.58 1q3j s TRP 28 CO 0.00 0.47 1.05 -0.24 -2.66 0.00 0.00 176.95 175.57 1q3j h VAL 29 N 2.90 1.36 -3.35 -0.66 3.04 -1.95 -3.45 116.25 114.13 1q3j h VAL 29 Ca -0.48 -2.82 -0.64 0.00 -1.01 0.00 0.00 66.70 61.75 1q3j h VAL 29 Cb 1.17 3.01 -0.23 0.00 -2.01 0.00 0.00 31.29 33.23 1q3j h VAL 29 CO 0.57 0.84 -0.69 0.00 -1.01 0.00 0.00 177.57 177.28 1q3j s ALA 30 N -2.63 2.93 0.13 3.17 0.00 -1.26 -4.75 121.76 119.34 1q3j s ALA 30 Ca -0.07 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 1q3j s ALA 30 Cb 0.05 -1.57 -0.06 0.00 0.00 0.00 0.00 23.12 21.54 1q3j s ALA 30 CO 0.93 0.06 1.07 0.20 0.00 0.00 0.00 175.76 178.03 1q3j s GLY 31 N 0.63 2.82 0.11 0.00 0.00 0.11 -4.85 107.32 106.14 1q3j s GLY 31 Ca -0.03 0.74 0.03 0.00 0.00 0.00 0.00 44.72 45.47 1q3j s GLY 31 CO 0.02 1.68 0.13 -2.52 0.00 0.00 0.00 173.10 172.41 1q3j s TYR 32 N 0.13 3.22 -0.28 1.90 -0.85 -0.91 -0.23 117.35 120.34 1q3j s TYR 32 Ca 0.51 0.06 -0.27 0.00 -0.52 0.00 0.00 57.07 56.84 1q3j s TYR 32 Cb -0.27 -1.60 0.01 0.00 0.38 0.00 0.00 41.96 40.48 1q3j s TYR 32 CO 0.32 0.53 0.98 0.00 -1.52 0.00 0.00 175.55 175.86 1q3j s ARG 34 N 3.29 3.53 -0.32 0.00 3.52 -0.41 0.01 118.95 128.57 1q3j s ARG 34 Ca 0.41 -0.45 -0.28 0.00 -0.13 0.00 0.00 55.73 55.28 1q3j s ARG 34 Cb -0.14 -2.93 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 1q3j s ARG 34 CO 0.11 0.38 1.88 0.50 -0.81 0.00 0.00 175.30 177.36 1q3j s ARG 35 N -0.01 3.27 0.00 5.12 3.52 -1.26 -4.28 118.95 125.31 1q3j s ARG 35 Ca 0.02 1.52 0.10 0.00 -0.13 0.00 0.00 55.73 57.24 1q3j s ARG 35 Cb -0.13 -4.24 0.61 0.00 -1.56 0.00 0.00 34.95 29.64 1q3j s ARG 35 CO 0.02 -1.93 1.06 1.17 -0.81 0.00 0.00 175.30 174.80