#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jq8 s GLN 2 N 0.00 3.00 -0.37 -1.24 -0.44 -1.26 -5.04 119.66 114.31 2jq8 s GLN 2 Ca 0.00 -1.23 -0.24 0.00 -2.50 0.00 0.00 55.36 51.39 2jq8 s GLN 2 Cb 0.00 -4.11 0.01 0.00 -1.64 0.00 0.00 33.01 27.27 2jq8 s GLN 2 CO 0.00 -1.02 0.82 -1.21 0.50 0.00 0.00 175.29 174.37 2jq8 s GLU 3 N 1.80 3.77 0.01 1.67 0.41 -1.26 -5.02 118.70 120.08 2jq8 s GLU 3 Ca 0.06 0.37 0.04 0.00 -0.41 0.00 0.00 54.97 55.03 2jq8 s GLU 3 Cb -0.23 -3.81 -0.01 0.00 -1.78 0.00 0.00 34.13 28.30 2jq8 s GLU 3 CO 0.08 -0.88 -0.12 -1.54 -0.49 0.00 0.00 175.26 172.31 2jq8 s SER 4 N 1.85 1.46 -0.21 -0.19 1.04 -1.26 -5.05 113.70 111.34 2jq8 s SER 4 Ca 0.33 -0.32 -0.23 0.00 0.48 0.00 0.00 55.95 56.21 2jq8 s SER 4 Cb -0.13 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 2jq8 s SER 4 CO 0.17 0.09 0.76 0.00 0.98 0.00 0.00 173.24 175.25 2jq8 n LYS 6 N 5.56 0.00 -0.40 0.00 5.02 -1.26 -4.82 118.16 122.26 2jq8 n LYS 6 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 2jq8 n LYS 6 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.52 2jq8 n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jq8 n GLY 7 N -0.03 2.72 0.01 0.72 0.00 -1.26 -2.96 105.19 104.40 2jq8 n GLY 7 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jq8 n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jq8 n ARG 8 N 0.60 1.73 -0.00 1.61 1.85 -1.26 -4.45 116.66 116.74 2jq8 n ARG 8 Ca 0.11 -1.14 0.03 0.00 -1.00 0.00 0.00 57.85 55.84 2jq8 n ARG 8 Cb 0.63 -0.81 -0.03 0.00 -1.05 0.00 0.00 32.46 31.19 2jq8 n ARG 8 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jq8 n THR 10 N -1.20 0.00 0.40 0.00 -2.24 -1.26 -4.35 114.28 105.64 2jq8 n THR 10 Ca 0.01 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.59 2jq8 n THR 10 Cb 0.09 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.36 2jq8 n THR 10 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jq8 n GLU 11 N -0.43 1.19 0.00 -0.78 0.28 -1.26 -5.10 120.64 114.53 2jq8 n GLU 11 Ca 0.06 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2jq8 n GLU 11 Cb 0.33 -1.31 0.00 0.00 1.43 0.00 0.00 31.44 31.89 2jq8 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2jq8 n GLY 12 N 1.46 0.50 3.55 -1.84 0.00 -1.26 -4.89 105.19 102.70 2jq8 n GLY 12 Ca 0.00 -1.59 -0.45 0.00 0.00 0.00 0.00 46.02 43.98 2jq8 n GLY 12 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jq8 n PHE 13 N 0.81 1.79 -3.50 1.61 -0.00 -1.26 -4.90 117.46 112.01 2jq8 n PHE 13 Ca 0.00 0.02 -0.41 0.00 -0.00 0.00 0.00 57.45 57.06 2jq8 n PHE 13 Cb 0.00 -2.66 -0.10 0.00 -0.00 0.00 0.00 39.48 36.72 2jq8 n PHE 13 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2jq8 s ASN 14 N 8.36 6.08 0.00 -2.13 2.47 -1.26 -4.96 114.94 123.50 2jq8 s ASN 14 Ca 1.04 -0.59 0.00 0.00 0.42 0.00 0.00 52.86 53.73 2jq8 s ASN 14 Cb -0.49 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2jq8 s ASN 14 CO 0.39 -0.31 1.80 0.52 -3.72 0.00 0.00 177.10 175.77 2jq8 n VAL 15 N 5.13 1.80 -2.20 -5.21 0.31 -1.26 -1.78 118.33 115.11 2jq8 n VAL 15 Ca -0.12 -0.43 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 2jq8 n VAL 15 Cb 0.49 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 2jq8 n VAL 15 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2jq8 n ASP 16 N 1.44 -0.12 -4.69 4.52 2.03 -1.26 -5.11 116.55 113.35 2jq8 n ASP 16 Ca 0.00 -1.95 -0.26 0.00 0.52 0.00 0.00 54.79 53.09 2jq8 n ASP 16 Cb 0.47 0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 2jq8 n ASP 16 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jq8 s LYS 17 N 0.00 2.48 0.00 -0.67 -0.14 -0.73 -5.08 119.74 115.59 2jq8 s LYS 17 Ca 0.14 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 53.66 2jq8 s LYS 17 Cb 0.15 -2.39 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2jq8 s LYS 17 CO -0.07 0.45 0.63 1.63 -0.76 0.00 0.00 175.35 177.24 2jq8 n LYS 18 N -0.21 0.00 -4.00 1.68 4.01 -1.26 -4.82 118.16 113.55 2jq8 n LYS 18 Ca -0.09 0.30 -0.26 0.00 -0.51 0.00 0.00 58.31 57.74 2jq8 n LYS 18 Cb 0.55 -1.19 -0.04 0.00 -0.51 0.00 0.00 35.03 33.84 2jq8 n LYS 18 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jq8 s GLN 20 N -3.19 0.31 -0.08 0.00 2.00 -1.26 -4.99 119.66 112.45 2jq8 s GLN 20 Ca 0.33 -0.46 -0.03 0.00 -2.00 0.00 0.00 55.36 53.20 2jq8 s GLN 20 Cb -0.11 -0.07 0.04 0.00 0.80 0.00 0.00 33.01 33.68 2jq8 s GLN 20 CO 0.26 0.00 0.08 0.00 -0.50 0.00 0.00 175.29 175.14 2jq8 s ASP 22 N 2.18 0.46 0.24 0.00 2.15 -1.26 -3.50 116.67 116.95 2jq8 s ASP 22 Ca 0.04 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.69 2jq8 s ASP 22 Cb -0.13 0.78 0.27 0.00 -0.30 0.00 0.00 42.92 43.54 2jq8 s ASP 22 CO -0.05 -1.55 1.62 -0.08 -0.17 0.00 0.00 175.17 174.94 2jq8 h GLU 23 N 2.03 0.49 0.00 4.34 4.57 -1.99 -2.77 114.58 121.25 2jq8 h GLU 23 Ca -0.31 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2jq8 h GLU 23 Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2jq8 h GLU 23 CO 0.40 0.82 0.00 1.28 -1.18 0.00 0.00 179.01 180.33 2jq8 n LEU 24 N -4.03 0.00 0.03 1.64 4.77 -1.26 -3.14 117.00 115.02 2jq8 n LEU 24 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2jq8 n LEU 24 Cb 0.51 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.93 2jq8 n LEU 24 CO 0.44 0.00 0.94 0.00 -1.33 0.00 0.00 177.39 177.44 2jq8 h SER 26 N 0.43 0.58 -0.30 0.00 4.64 -1.77 0.28 113.55 117.41 2jq8 h SER 26 Ca 0.09 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2jq8 h SER 26 Cb 0.31 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2jq8 h SER 26 CO 0.01 1.19 0.13 0.22 -0.87 0.00 0.00 176.83 177.51 2jq8 h TYR 27 N 0.30 0.44 -0.00 4.77 3.20 -1.53 -2.78 116.97 121.36 2jq8 h TYR 27 Ca -0.06 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2jq8 h TYR 27 Cb 1.44 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2jq8 h TYR 27 CO 0.06 0.41 -0.41 0.66 -1.64 0.00 0.00 178.16 177.24 2jq8 n TYR 28 N -4.76 0.00 -3.80 -3.82 4.01 0.13 -4.96 117.16 103.95 2jq8 n TYR 28 Ca -0.02 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.48 2jq8 n TYR 28 Cb 0.12 -0.23 0.02 0.00 -0.31 0.00 0.00 39.34 38.94 2jq8 n TYR 28 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2jq8 n GLN 29 N -1.30 -4.84 -3.05 -0.72 6.02 0.91 -4.94 117.38 109.46 2jq8 n GLN 29 Ca 0.07 0.58 -0.18 0.00 -0.01 0.00 0.00 57.00 57.47 2jq8 n GLN 29 Cb 0.34 -5.17 -0.03 0.00 1.02 0.00 0.00 30.24 26.39 2jq8 n GLN 29 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2jq8 n SER 30 N -2.98 -1.29 -4.40 1.08 7.64 -0.75 -5.02 113.62 107.90 2jq8 n SER 30 Ca -0.21 -2.82 -0.28 0.00 1.01 0.00 0.00 58.87 56.57 2jq8 n SER 30 Cb 0.64 0.37 -0.12 0.00 -1.01 0.00 0.00 64.21 64.08 2jq8 n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jq8 h THR 33 N -0.40 0.62 -0.17 0.00 2.02 -1.97 -1.96 112.91 111.05 2jq8 h THR 33 Ca -0.44 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2jq8 h THR 33 Cb 1.21 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.72 2jq8 h THR 33 CO 0.58 0.04 0.00 -0.67 0.37 0.00 0.00 175.52 175.85 2jq8 n ASP 34 N -3.89 1.72 0.04 4.18 2.03 -1.26 -4.15 116.55 115.22 2jq8 n ASP 34 Ca -0.03 -2.14 -0.13 0.00 0.52 0.00 0.00 54.79 53.02 2jq8 n ASP 34 Cb 0.13 -0.37 -0.09 0.00 -0.72 0.00 0.00 41.12 40.08 2jq8 n ASP 34 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2jq8 h TYR 35 N 1.09 -0.07 0.00 -0.67 3.20 -1.71 -1.56 116.97 117.24 2jq8 h TYR 35 Ca 0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2jq8 h TYR 35 Cb 0.61 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2jq8 h TYR 35 CO 0.22 0.22 -0.62 1.79 -1.64 0.00 0.00 178.16 178.13 2jq8 h THR 36 N -0.37 1.40 -0.00 1.81 1.35 -1.83 -0.53 112.91 114.74 2jq8 h THR 36 Ca -0.01 -2.17 -0.00 0.00 -0.55 0.00 0.00 66.41 63.68 2jq8 h THR 36 Cb 0.33 2.19 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2jq8 h THR 36 CO 0.01 0.61 -0.00 0.00 -0.25 0.00 0.00 175.52 175.89 2jq8 h ALA 37 N 1.38 0.01 0.00 6.62 0.00 -1.77 -2.38 119.26 123.11 2jq8 h ALA 37 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2jq8 h ALA 37 Cb 1.14 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jq8 h ALA 37 CO 0.08 -0.29 -0.51 0.93 0.00 0.00 0.00 179.25 179.46 2jq8 h GLU 38 N -0.38 0.00 0.19 0.00 4.39 -1.28 -3.39 114.58 114.11 2jq8 h GLU 38 Ca 0.00 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.45 2jq8 h GLU 38 Cb 0.40 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.08 2jq8 h GLU 38 CO 0.00 0.86 -1.12 0.00 -1.16 0.00 0.00 179.01 177.60 2jq8 n LYS 40 N -3.95 -2.70 0.09 0.00 4.81 -0.89 -4.91 118.16 110.61 2jq8 n LYS 40 Ca -0.15 0.59 0.12 0.00 -0.87 0.00 0.00 58.31 58.00 2jq8 n LYS 40 Cb 0.95 -4.83 0.22 0.00 0.02 0.00 0.00 35.03 31.39 2jq8 n LYS 40 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2jq8 h PRO 41 N -1.72 0.00 -4.27 1.64 0.13 -1.86 -3.42 132.00 122.50 2jq8 h PRO 41 Ca -0.64 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 63.76 2jq8 h PRO 41 Cb 1.35 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.20 2jq8 h PRO 41 CO 0.51 0.00 -0.36 -0.65 -0.23 0.00 0.00 178.00 177.26 2jq8 s GLN 42 N -3.17 2.59 -0.44 0.86 -1.52 -1.26 -5.04 119.66 111.69 2jq8 s GLN 42 Ca 0.07 -1.72 -0.29 0.00 -1.95 0.00 0.00 55.36 51.47 2jq8 s GLN 42 Cb 0.12 -3.99 0.01 0.00 -0.22 0.00 0.00 33.01 28.94 2jq8 s GLN 42 CO 0.69 -1.20 1.35 0.08 -0.25 0.00 0.00 175.29 175.97 2jq8 s VAL 43 N 1.42 3.96 -0.84 1.09 1.01 -1.26 -4.95 120.40 120.83 2jq8 s VAL 43 Ca 0.05 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2jq8 s VAL 43 Cb -0.27 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.81 2jq8 s VAL 43 CO 0.00 -0.84 1.63 0.42 0.00 0.00 0.00 175.10 176.31 2jq8 s THR 44 N 5.26 3.63 0.00 3.92 -4.23 -1.26 -4.84 115.64 118.12 2jq8 s THR 44 Ca 0.58 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.89 2jq8 s THR 44 Cb -0.12 -4.52 0.00 0.00 1.34 0.00 0.00 72.50 69.20 2jq8 s THR 44 CO 0.32 -1.45 0.26 0.54 -0.54 0.00 0.00 174.62 173.76 2jq8 n ARG 45 N 9.05 0.00 0.00 3.99 5.12 -1.26 -5.09 116.66 128.47 2jq8 n ARG 45 Ca 0.26 0.42 0.00 0.00 -1.93 0.00 0.00 57.85 56.59 2jq8 n ARG 45 Cb 0.50 -1.06 0.00 0.00 -1.16 0.00 0.00 32.46 30.74 2jq8 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jq8 n GLY 46 N 1.22 1.86 0.00 -0.13 0.00 -1.26 -5.35 105.19 101.53 2jq8 n GLY 46 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2jq8 n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66