#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 -3.54 -3.18 0.00 5.41 -1.26 -4.97 119.36 111.83 1q3j n ILE 2 Ca 0.00 -0.26 -0.39 0.00 1.00 0.00 0.00 62.75 63.10 1q3j n ILE 2 Cb 0.00 -3.94 -0.05 0.00 -0.71 0.00 0.00 39.64 34.94 1q3j n ILE 2 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1q3j s LYS 3 N -5.12 4.37 -1.00 0.38 2.47 -1.26 -4.68 119.74 114.90 1q3j s LYS 3 Ca 0.09 0.70 -0.10 0.00 -1.56 0.00 0.00 55.97 55.10 1q3j s LYS 3 Cb -0.04 -3.41 -0.07 0.00 -1.46 0.00 0.00 37.83 32.84 1q3j s LYS 3 CO 0.48 0.18 2.18 0.09 0.16 0.00 0.00 175.35 178.44 1q3j n ASN 4 N 3.45 4.83 0.00 1.43 5.03 -1.22 -2.24 115.26 126.55 1q3j n ASN 4 Ca -0.05 -2.45 0.00 0.00 0.87 0.00 0.00 54.58 52.95 1q3j n ASN 4 Cb 0.51 -1.19 0.00 0.00 -1.02 0.00 0.00 39.78 38.09 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1q3j n GLY 5 N 3.92 0.05 3.64 7.41 0.00 -1.26 -4.90 105.19 114.05 1q3j n GLY 5 Ca 0.50 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.05 1q3j n GLY 5 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q3j n ASN 6 N 0.00 2.32 -4.57 1.61 2.85 -0.95 -4.72 115.26 111.80 1q3j n ASN 6 Ca 0.00 1.13 -0.34 0.00 -0.11 0.00 0.00 54.58 55.26 1q3j n ASN 6 Cb 0.00 -1.34 -0.04 0.00 1.24 0.00 0.00 39.78 39.64 1q3j n ASN 6 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1q3j s GLY 7 N 0.36 0.73 0.02 8.20 0.00 -1.26 -2.82 107.32 112.55 1q3j s GLY 7 Ca 0.74 -2.26 -0.13 0.00 0.00 0.00 0.00 44.72 43.07 1q3j s GLY 7 CO 0.48 3.20 0.96 0.00 0.00 0.00 0.00 173.10 177.73 1q3j n GLN 9 N -3.66 1.77 0.01 0.00 6.02 -0.87 -3.68 117.38 116.98 1q3j n GLN 9 Ca -0.17 -4.14 -0.12 0.00 -0.01 0.00 0.00 57.00 52.56 1q3j n GLN 9 Cb 1.09 -1.93 -0.09 0.00 1.02 0.00 0.00 30.24 30.33 1q3j n GLN 9 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1q3j h PRO 10 N 4.37 -0.10 0.00 -1.09 0.11 -1.78 0.27 132.00 133.78 1q3j h PRO 10 Ca 0.16 0.01 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 1q3j h PRO 10 Cb 0.75 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 31.75 1q3j h PRO 10 CO 0.69 0.43 -0.27 0.27 -0.21 0.00 0.00 178.00 178.91 1q3j n ASN 11 N -4.86 -1.26 -3.72 -2.05 0.23 -1.26 -4.28 115.26 98.06 1q3j n ASN 11 Ca -0.08 -2.09 -0.25 0.00 -0.53 0.00 0.00 54.58 51.63 1q3j n ASN 11 Cb 0.29 0.53 0.05 0.00 -2.08 0.00 0.00 39.78 38.57 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1q3j n GLY 12 N -0.98 -0.44 0.00 4.83 0.00 -1.26 -4.87 105.19 102.47 1q3j n GLY 12 Ca -0.21 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1q3j n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q3j n SER 13 N -2.97 2.95 -3.62 1.61 2.88 -1.26 -5.08 113.62 108.12 1q3j n SER 13 Ca -0.09 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.42 1q3j n SER 13 Cb 0.59 0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 64.12 1q3j n SER 13 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1q3j s GLN 14 N -1.67 0.43 0.00 -1.46 2.00 -1.26 -5.16 119.66 112.54 1q3j s GLN 14 Ca 0.00 0.77 0.00 0.00 -2.00 0.00 0.00 55.36 54.13 1q3j s GLN 14 Cb 0.00 0.13 0.00 0.00 0.80 0.00 0.00 33.01 33.94 1q3j s GLN 14 CO 0.00 -0.10 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 1q3j n GLY 15 N 3.95 2.56 3.63 2.59 0.00 -1.24 -4.52 105.19 112.15 1q3j n GLY 15 Ca -0.18 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 1q3j n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q3j s ASN 16 N 0.00 -0.65 -0.00 1.61 3.84 -1.26 -4.90 114.94 113.58 1q3j s ASN 16 Ca 0.00 1.22 -0.00 0.00 0.21 0.00 0.00 52.86 54.29 1q3j s ASN 16 Cb 0.00 1.24 -0.00 0.00 -0.55 0.00 0.00 41.25 41.94 1q3j s ASN 16 CO 0.00 -0.21 0.01 0.00 -2.79 0.00 0.00 177.10 174.11 1q3j h SER 19 N 0.46 0.52 -3.40 0.00 4.64 -1.95 -3.47 113.55 110.35 1q3j h SER 19 Ca 0.52 -0.20 -0.27 0.00 -0.47 0.00 0.00 61.79 61.37 1q3j h SER 19 Cb 1.23 -0.14 0.05 0.00 -0.31 0.00 0.00 62.40 63.23 1q3j h SER 19 CO -0.24 0.81 -0.42 0.61 -0.87 0.00 0.00 176.83 176.72 1q3j n GLY 20 N -0.22 -0.10 2.36 -0.77 0.00 -0.35 -4.94 105.19 101.16 1q3j n GLY 20 Ca -0.01 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.11 0.94 -2.86 1.61 9.36 -1.26 -5.10 117.16 115.73 1q3j n TYR 21 Ca -0.06 -3.69 -0.40 0.00 3.32 0.00 0.00 57.90 57.07 1q3j n TYR 21 Cb 0.57 -0.42 -0.05 0.00 -0.63 0.00 0.00 39.34 38.82 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 -0.32 2.74 0.03 0.00 2.46 -0.54 -4.90 115.29 114.76 1q3j s HIS 23 Ca 0.41 -0.44 0.02 0.00 0.47 0.00 0.00 55.06 55.53 1q3j s HIS 23 Cb -0.23 -1.73 -0.02 0.00 -0.13 0.00 0.00 32.58 30.47 1q3j s HIS 23 CO 0.27 -0.04 -0.08 0.21 -2.47 0.00 0.00 174.74 172.63 1q3j s LYS 24 N -0.16 0.55 -0.04 2.88 2.20 -1.26 -2.51 119.74 121.40 1q3j s LYS 24 Ca -0.01 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 54.88 1q3j s LYS 24 Cb -0.13 -0.39 0.01 0.00 -1.51 0.00 0.00 37.83 35.80 1q3j s LYS 24 CO 0.03 0.08 0.19 -1.14 -0.36 0.00 0.00 175.35 174.15 1q3j s GLN 25 N -1.23 0.38 0.00 4.03 0.74 -1.26 -5.04 119.66 117.28 1q3j s GLN 25 Ca -0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 1q3j s GLN 25 Cb -0.08 0.17 -0.07 0.00 1.10 0.00 0.00 33.01 34.13 1q3j s GLN 25 CO 0.00 -0.08 1.33 -0.35 -0.55 0.00 0.00 175.29 175.64 1q3j n PRO 26 N 2.17 0.57 -0.33 1.67 -0.04 -1.26 -2.68 135.00 135.10 1q3j n PRO 26 Ca -0.18 -0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.03 1q3j n PRO 26 Cb 0.57 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.64 -0.36 3.54 0.55 0.00 -1.26 -5.09 105.19 105.22 1q3j n GLY 27 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.39 -0.04 1.61 -2.14 -1.09 -5.09 118.94 111.79 1q3j s TRP 28 Ca 0.00 0.51 -0.18 0.00 2.66 0.00 0.00 56.10 59.09 1q3j s TRP 28 Cb 0.00 0.48 -0.12 0.00 -3.10 0.00 0.00 33.47 30.73 1q3j s TRP 28 CO 0.00 -0.45 0.77 0.28 -2.66 0.00 0.00 176.95 174.88 1q3j h VAL 29 N 2.38 0.48 -3.32 -0.66 2.07 -1.90 -3.45 116.25 111.86 1q3j h VAL 29 Ca -0.21 -0.89 -0.65 0.00 0.82 0.00 0.00 66.70 65.77 1q3j h VAL 29 Cb 1.19 0.80 -0.19 0.00 -1.52 0.00 0.00 31.29 31.58 1q3j h VAL 29 CO 0.32 0.12 -0.63 0.00 0.02 0.00 0.00 177.57 177.40 1q3j s ALA 30 N -3.80 3.16 -0.06 1.67 0.00 -1.26 -4.48 121.76 116.99 1q3j s ALA 30 Ca -0.10 -0.80 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 1q3j s ALA 30 Cb 0.01 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1q3j s ALA 30 CO 0.37 0.32 0.91 0.20 0.00 0.00 0.00 175.76 177.56 1q3j s GLY 31 N -0.02 2.62 0.47 0.00 0.00 0.08 -4.88 107.32 105.60 1q3j s GLY 31 Ca 0.03 0.35 -0.18 0.00 0.00 0.00 0.00 44.72 44.92 1q3j s GLY 31 CO 0.02 1.63 0.95 -2.52 0.00 0.00 0.00 173.10 173.19 1q3j s TYR 32 N 1.34 3.40 0.07 1.90 -0.85 -1.04 -1.53 117.35 120.64 1q3j s TYR 32 Ca 0.46 1.48 -0.30 0.00 -0.52 0.00 0.00 57.07 58.19 1q3j s TYR 32 Cb -0.19 -2.78 -0.05 0.00 0.38 0.00 0.00 41.96 39.31 1q3j s TYR 32 CO 0.22 -0.25 1.08 0.00 -1.52 0.00 0.00 175.55 175.08 1q3j s ARG 34 N 0.61 3.27 -0.14 0.00 0.52 -0.38 -3.40 118.95 119.43 1q3j s ARG 34 Ca 0.53 -0.47 -0.02 0.00 -0.52 0.00 0.00 55.73 55.25 1q3j s ARG 34 Cb -0.26 -2.96 -0.24 0.00 0.52 0.00 0.00 34.95 32.01 1q3j s ARG 34 CO 0.30 0.62 0.26 0.54 0.02 0.00 0.00 175.30 177.04 1q3j n ARG 35 N 0.59 0.72 0.00 3.54 1.74 -1.26 -4.49 116.66 117.50 1q3j n ARG 35 Ca -0.08 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1q3j n ARG 35 Cb 0.52 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1q3j n ARG 35 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47