#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 -0.66 -0.12 0.00 5.41 -1.26 -4.99 119.36 117.74 1q3j n ILE 2 Ca 0.00 0.52 0.00 0.00 1.00 0.00 0.00 62.75 64.27 1q3j n ILE 2 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1q3j n ILE 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1q3j n LYS 3 N -2.92 -0.33 -0.71 0.38 5.02 -1.26 -4.58 118.16 113.75 1q3j n LYS 3 Ca -0.04 0.26 -0.18 0.00 -2.02 0.00 0.00 58.31 56.33 1q3j n LYS 3 Cb 0.31 -0.32 -0.04 0.00 -0.02 0.00 0.00 35.03 34.96 1q3j n LYS 3 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1q3j n ASN 4 N -1.53 4.49 -2.62 4.39 3.02 -1.19 -3.55 115.26 118.27 1q3j n ASN 4 Ca 0.00 -2.25 -0.04 0.00 -0.03 0.00 0.00 54.58 52.26 1q3j n ASN 4 Cb 0.03 -1.03 -0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1q3j n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q3j n GLY 5 N 3.41 -0.57 3.57 7.41 0.00 -1.26 -4.94 105.19 112.80 1q3j n GLY 5 Ca 0.40 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.25 -0.63 0.32 1.61 3.84 -1.23 -5.01 114.94 113.59 1q3j s ASN 6 Ca 0.05 0.92 -0.29 0.00 0.21 0.00 0.00 52.86 53.75 1q3j s ASN 6 Cb 0.09 0.84 -0.12 0.00 -0.55 0.00 0.00 41.25 41.51 1q3j s ASN 6 CO -0.02 -0.42 1.53 0.61 -2.79 0.00 0.00 177.10 176.01 1q3j n GLY 7 N 1.57 1.21 2.00 1.21 0.00 -1.26 -2.17 105.19 107.75 1q3j n GLY 7 Ca -0.16 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1q3j n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3j n GLN 9 N -2.57 1.14 -0.30 0.00 6.02 0.12 -3.51 117.38 118.28 1q3j n GLN 9 Ca 0.00 -3.58 -0.03 0.00 -0.01 0.00 0.00 57.00 53.38 1q3j n GLN 9 Cb 0.00 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 29.90 1q3j n GLN 9 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1q3j h PRO 10 N 4.12 1.18 0.00 -1.09 0.13 -1.81 -0.33 132.00 134.20 1q3j h PRO 10 Ca 0.11 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 65.03 1q3j h PRO 10 Cb 0.83 -0.23 -0.13 0.00 0.13 0.00 0.00 31.00 31.59 1q3j h PRO 10 CO 0.55 0.86 -0.52 0.27 -0.23 0.00 0.00 178.00 178.93 1q3j n ASN 11 N -4.34 0.13 -1.76 1.44 6.94 -1.26 -3.97 115.26 112.43 1q3j n ASN 11 Ca 0.09 -1.80 -0.15 0.00 -0.02 0.00 0.00 54.58 52.70 1q3j n ASN 11 Cb 0.10 -0.11 -0.00 0.00 -2.36 0.00 0.00 39.78 37.41 1q3j n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1q3j n GLY 12 N 0.14 -0.22 2.34 4.83 0.00 -1.26 -4.91 105.19 106.12 1q3j n GLY 12 Ca -0.03 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1q3j n GLY 12 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1q3j n SER 13 N -0.88 8.21 -3.09 1.61 7.64 -1.26 -4.46 113.62 121.39 1q3j n SER 13 Ca -0.16 -2.74 -0.15 0.00 1.01 0.00 0.00 58.87 56.83 1q3j n SER 13 Cb 0.62 -1.48 0.08 0.00 -1.01 0.00 0.00 64.21 62.42 1q3j n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q3j n GLN 14 N 2.88 -5.79 -1.78 1.43 6.02 -1.26 -4.91 117.38 113.96 1q3j n GLN 14 Ca 0.70 0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 58.01 1q3j n GLN 14 Cb 0.30 -5.40 -0.02 0.00 1.02 0.00 0.00 30.24 26.15 1q3j n GLN 14 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1q3j s GLY 15 N -4.10 1.95 -0.26 1.08 0.00 -1.26 -5.00 107.32 99.73 1q3j s GLY 15 Ca 0.04 1.56 -0.13 0.00 0.00 0.00 0.00 44.72 46.19 1q3j s GLY 15 CO 0.63 2.60 0.61 0.21 0.00 0.00 0.00 173.10 177.15 1q3j s ASN 16 N 0.63 -0.85 0.11 1.64 3.84 -1.23 -4.93 114.94 114.15 1q3j s ASN 16 Ca 0.65 1.37 -0.06 0.00 0.21 0.00 0.00 52.86 55.03 1q3j s ASN 16 Cb -0.48 1.41 -0.05 0.00 -0.55 0.00 0.00 41.25 41.58 1q3j s ASN 16 CO 0.44 -0.23 0.37 0.00 -2.79 0.00 0.00 177.10 174.89 1q3j h SER 19 N 0.54 0.00 -0.05 0.00 4.64 -1.94 -3.46 113.55 113.29 1q3j h SER 19 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1q3j h SER 19 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1q3j h SER 19 CO -0.11 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 1q3j n GLY 20 N -0.96 1.07 3.63 -0.77 0.00 0.11 -5.06 105.19 103.21 1q3j n GLY 20 Ca -0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.05 -0.98 0.07 1.61 5.04 -1.26 -5.00 117.35 114.78 1q3j s TYR 21 Ca 0.00 2.07 0.01 0.00 -2.44 0.00 0.00 57.07 56.71 1q3j s TYR 21 Cb 0.00 0.52 -0.00 0.00 0.35 0.00 0.00 41.96 42.83 1q3j s TYR 21 CO 0.00 -0.48 0.03 0.00 -1.34 0.00 0.00 175.55 173.76 1q3j s HIS 23 N -1.93 -1.07 -0.14 0.00 2.46 -0.22 -4.41 115.29 109.97 1q3j s HIS 23 Ca 0.05 1.74 -0.05 0.00 0.47 0.00 0.00 55.06 57.27 1q3j s HIS 23 Cb 0.00 0.60 0.07 0.00 -0.13 0.00 0.00 32.58 33.12 1q3j s HIS 23 CO 0.03 -0.54 0.28 0.21 -2.47 0.00 0.00 174.74 172.25 1q3j s LYS 24 N 2.72 0.17 0.15 2.88 2.20 -1.26 -2.13 119.74 124.48 1q3j s LYS 24 Ca -0.02 0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1q3j s LYS 24 Cb -0.10 -0.07 -0.06 0.00 -1.51 0.00 0.00 37.83 36.09 1q3j s LYS 24 CO -0.18 -0.31 0.40 -0.65 -0.36 0.00 0.00 175.35 174.25 1q3j s GLN 25 N 2.44 3.65 -0.59 4.03 -0.21 -1.26 -4.97 119.66 122.75 1q3j s GLN 25 Ca 0.02 -0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.33 1q3j s GLN 25 Cb -0.12 -2.83 -0.07 0.00 1.00 0.00 0.00 33.01 30.99 1q3j s GLN 25 CO -0.09 0.45 1.98 -0.35 -2.12 0.00 0.00 175.29 175.15 1q3j n PRO 26 N 0.09 1.59 0.21 2.91 -0.04 -1.26 -3.47 135.00 135.03 1q3j n PRO 26 Ca -0.02 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.32 1q3j n PRO 26 Cb 0.52 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.53 -1.23 3.79 0.55 0.00 -1.26 -5.12 105.19 105.44 1q3j n GLY 27 Ca 0.34 0.22 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.00 2.86 -0.03 1.61 -2.14 -1.23 -5.01 118.94 113.01 1q3j s TRP 28 Ca 0.00 1.51 -0.07 0.00 2.66 0.00 0.00 56.10 60.20 1q3j s TRP 28 Cb 0.00 -3.03 -0.04 0.00 -3.10 0.00 0.00 33.47 27.30 1q3j s TRP 28 CO 0.00 -1.38 0.42 0.28 -2.66 0.00 0.00 176.95 173.62 1q3j h VAL 29 N -0.08 0.00 -3.48 -0.66 2.07 -1.90 -3.45 116.25 108.76 1q3j h VAL 29 Ca -0.46 -0.43 -0.60 0.00 0.82 0.00 0.00 66.70 66.03 1q3j h VAL 29 Cb 1.23 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.89 1q3j h VAL 29 CO 0.56 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 178.00 1q3j s ALA 30 N -3.39 3.55 0.08 1.67 0.00 -1.25 -4.52 121.76 117.89 1q3j s ALA 30 Ca -0.04 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.19 1q3j s ALA 30 Cb 0.00 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 1q3j s ALA 30 CO 0.12 -0.35 0.77 0.20 0.00 0.00 0.00 175.76 176.50 1q3j s GLY 31 N 1.08 2.83 0.40 0.00 0.00 -0.13 -4.87 107.32 106.63 1q3j s GLY 31 Ca 0.21 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.27 1q3j s GLY 31 CO 0.09 1.03 0.57 -2.52 0.00 0.00 0.00 173.10 172.28 1q3j s TYR 32 N -0.35 3.15 1.00 1.90 -0.85 -0.90 -0.70 117.35 120.60 1q3j s TYR 32 Ca 0.38 -0.01 -0.12 0.00 -0.52 0.00 0.00 57.07 56.80 1q3j s TYR 32 Cb -0.21 -2.17 0.19 0.00 0.38 0.00 0.00 41.96 40.14 1q3j s TYR 32 CO 0.24 -0.21 1.10 0.00 -1.52 0.00 0.00 175.55 175.16 1q3j s ARG 34 N -5.02 0.53 -0.21 0.00 3.52 -0.96 -3.17 118.95 113.64 1q3j s ARG 34 Ca 0.65 0.42 0.11 0.00 -0.13 0.00 0.00 55.73 56.78 1q3j s ARG 34 Cb -0.18 0.25 -0.22 0.00 -1.56 0.00 0.00 34.95 33.25 1q3j s ARG 34 CO 0.57 -0.09 -0.01 2.89 -0.81 0.00 0.00 175.30 177.85 1q3j n ARG 35 N 2.49 0.67 0.00 5.12 1.85 -1.26 -4.24 116.66 121.30 1q3j n ARG 35 Ca -0.15 0.07 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 1q3j n ARG 35 Cb 0.57 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 1q3j n ARG 35 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98