#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi s LYS 2 N 0.00 4.42 1.05 2.12 2.20 -1.26 -5.04 119.74 123.23 2qbi s LYS 2 Ca 0.00 1.33 -0.16 0.00 -0.36 0.00 0.00 55.97 56.78 2qbi s LYS 2 Cb 0.00 -3.54 0.22 0.00 -1.51 0.00 0.00 37.83 33.00 2qbi s LYS 2 CO 0.00 -0.28 1.17 1.03 -0.36 0.00 0.00 175.35 176.90 2qbi s ARG 3 N 1.91 -0.01 -1.08 4.03 1.81 -1.26 -4.97 118.95 119.38 2qbi s ARG 3 Ca 0.47 -0.01 -0.04 0.00 -1.72 0.00 0.00 55.73 54.43 2qbi s ARG 3 Cb -0.18 -1.73 0.31 0.00 -0.45 0.00 0.00 34.95 32.89 2qbi s ARG 3 CO 0.18 -2.92 1.48 -2.37 -0.68 0.00 0.00 175.30 170.99 2qbi n THR 4 N -4.21 5.32 0.00 0.02 5.66 -1.26 -4.77 114.28 115.04 2qbi n THR 4 Ca 0.11 -5.91 0.00 0.00 -3.05 0.00 0.00 64.05 55.20 2qbi n THR 4 Cb 0.59 -2.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.28 2qbi n THR 4 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2qbi n PHE 5 N 1.39 0.00 -3.50 1.09 -0.00 -1.26 -5.11 117.46 110.06 2qbi n PHE 5 Ca 0.26 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.29 2qbi n PHE 5 Cb 0.33 0.00 -0.08 0.00 -0.00 0.00 0.00 39.48 39.74 2qbi n PHE 5 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2qbi s GLN 6 N 0.00 2.62 0.28 -4.13 -1.52 -1.26 -5.06 119.66 110.58 2qbi s GLN 6 Ca 0.00 -1.79 -0.29 0.00 -1.95 0.00 0.00 55.36 51.33 2qbi s GLN 6 Cb 0.00 -4.02 -0.14 0.00 -0.22 0.00 0.00 33.01 28.63 2qbi s GLN 6 CO 0.00 -1.23 1.08 -0.35 -0.25 0.00 0.00 175.29 174.54 2qbi n PRO 7 N 4.92 1.45 -3.28 2.91 -0.04 -1.26 -5.01 135.00 134.69 2qbi n PRO 7 Ca -0.08 0.51 -0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2qbi n PRO 7 Cb 0.41 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 2qbi n PRO 7 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qbi s SER 8 N -0.41 -0.22 0.36 3.54 0.15 -1.26 -5.03 113.70 110.83 2qbi s SER 8 Ca 0.61 -1.12 0.19 0.00 0.70 0.00 0.00 55.95 56.32 2qbi s SER 8 Cb -0.70 1.29 1.27 0.00 -1.71 0.00 0.00 66.02 66.16 2qbi s SER 8 CO 0.59 -0.22 1.60 1.62 1.20 0.00 0.00 173.24 178.03 2qbi h VAL 9 N 5.08 0.08 0.63 4.45 3.04 -2.00 -1.04 116.25 126.49 2qbi h VAL 9 Ca 0.04 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.68 2qbi h VAL 9 Cb 1.12 -0.01 0.01 0.00 -2.01 0.00 0.00 31.29 30.39 2qbi h VAL 9 CO 0.15 0.01 -0.31 0.25 -1.01 0.00 0.00 177.57 176.66 2qbi h LEU 10 N 0.08 -0.75 -0.05 3.16 6.46 -2.00 -2.85 115.31 119.36 2qbi h LEU 10 Ca 0.81 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 58.64 2qbi h LEU 10 Cb 2.08 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 42.15 2qbi h LEU 10 CO -0.73 -0.52 -0.43 0.11 -0.62 0.00 0.00 178.44 176.24 2qbi h LYS 11 N -0.86 -0.53 -0.75 1.25 1.57 -1.60 -1.64 116.57 114.01 2qbi h LYS 11 Ca -0.09 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2qbi h LYS 11 Cb 0.66 0.12 -0.09 0.00 0.08 0.00 0.00 32.23 33.00 2qbi h LYS 11 CO 0.14 -0.36 -0.44 -2.13 -0.57 0.00 0.00 179.45 176.09 2qbi n ARG 12 N -5.45 -0.33 -0.16 3.15 0.63 -0.72 -0.46 116.66 113.33 2qbi n ARG 12 Ca -0.05 1.21 -0.07 0.00 -0.92 0.00 0.00 57.85 58.02 2qbi n ARG 12 Cb 0.37 -1.79 0.01 0.00 0.45 0.00 0.00 32.46 31.51 2qbi n ARG 12 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2qbi h ASN 13 N 0.00 0.57 -0.18 6.15 -0.26 -1.24 1.00 115.58 121.61 2qbi h ASN 13 Ca 0.12 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 2qbi h ASN 13 Cb 0.31 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2qbi h ASN 13 CO -0.70 0.44 0.03 -2.11 -1.06 0.00 0.00 177.43 174.03 2qbi n ARG 14 N -4.72 1.93 0.00 0.81 1.85 0.19 -0.03 116.66 116.68 2qbi n ARG 14 Ca 0.02 -0.85 0.00 0.00 -1.00 0.00 0.00 57.85 56.02 2qbi n ARG 14 Cb 0.04 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 29.82 2qbi n ARG 14 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qbi n SER 15 N 0.15 1.14 -0.42 2.89 7.64 0.39 -4.86 113.62 120.55 2qbi n SER 15 Ca 0.09 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.99 2qbi n SER 15 Cb 0.57 0.09 0.02 0.00 -1.01 0.00 0.00 64.21 63.88 2qbi n SER 15 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2qbi n HIS 16 N -1.07 0.00 -2.30 1.43 8.25 0.30 -4.86 115.22 116.97 2qbi n HIS 16 Ca 0.00 -0.14 -0.31 0.00 -0.26 0.00 0.00 57.72 57.01 2qbi n HIS 16 Cb 0.12 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 2qbi n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2qbi s GLY 17 N -1.22 1.87 0.06 -1.41 0.00 0.95 -4.43 107.32 103.13 2qbi s GLY 17 Ca 0.04 -0.01 -0.16 0.00 0.00 0.00 0.00 44.72 44.59 2qbi s GLY 17 CO 0.00 0.24 1.27 -2.75 0.00 0.00 0.00 173.10 171.86 2qbi h PHE 18 N 0.49 -0.81 -0.34 1.90 3.04 -1.81 0.96 116.94 120.36 2qbi h PHE 18 Ca -0.46 0.03 0.06 0.00 3.98 0.00 0.00 57.97 61.58 2qbi h PHE 18 Cb 1.19 0.37 -0.08 0.00 2.56 0.00 0.00 35.95 39.99 2qbi h PHE 18 CO 0.64 -0.26 -0.46 0.00 -2.02 0.00 0.00 178.31 176.21 2qbi h ARG 19 N -0.24 -0.38 -0.33 1.11 3.08 -1.94 -0.74 114.38 114.93 2qbi h ARG 19 Ca 0.02 0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2qbi h ARG 19 Cb 0.31 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.37 2qbi h ARG 19 CO -0.25 -0.25 -0.36 0.00 -1.07 0.00 0.00 179.97 178.04 2qbi h ALA 20 N 0.22 -0.32 0.00 0.04 0.00 -1.71 -0.92 119.26 116.57 2qbi h ALA 20 Ca 0.11 0.07 -0.58 0.00 0.00 0.00 0.00 54.91 54.51 2qbi h ALA 20 Cb 0.60 0.75 0.02 0.00 0.00 0.00 0.00 17.79 19.16 2qbi h ALA 20 CO -0.54 -0.80 3.18 -2.13 0.00 0.00 0.00 179.25 178.97 2qbi n ARG 21 N -5.42 3.31 0.00 0.00 0.63 0.33 -1.94 116.66 113.57 2qbi n ARG 21 Ca -0.01 -1.96 0.00 0.00 -0.92 0.00 0.00 57.85 54.96 2qbi n ARG 21 Cb 0.34 -2.66 0.00 0.00 0.45 0.00 0.00 32.46 30.60 2qbi n ARG 21 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 2qbi n MET 22 N 3.50 0.00 0.00 -0.14 2.81 -0.40 -4.21 117.12 118.68 2qbi n MET 22 Ca 0.71 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 56.64 2qbi n MET 22 Cb 0.31 0.00 0.22 0.00 -0.71 0.00 0.00 33.22 33.04 2qbi n MET 22 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qbi n ALA 23 N -0.33 1.52 -2.49 3.04 0.00 -0.82 -4.62 120.51 116.81 2qbi n ALA 23 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.16 2qbi n ALA 23 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 2qbi n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qbi s THR 24 N -2.80 2.07 0.03 0.00 -4.23 -1.26 -5.03 115.64 104.40 2qbi s THR 24 Ca 0.07 -2.21 -0.28 0.00 -1.18 0.00 0.00 61.69 58.08 2qbi s THR 24 Cb 0.06 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.24 2qbi s THR 24 CO 0.16 -0.28 1.27 0.50 -0.54 0.00 0.00 174.62 175.73 2qbi h LYS 25 N 2.17 -0.81 0.00 3.99 1.63 -2.00 -2.88 116.57 118.67 2qbi h LYS 25 Ca -0.41 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 2qbi h LYS 25 Cb 1.24 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.06 2qbi h LYS 25 CO 0.67 -0.49 0.00 -0.91 -3.45 0.00 0.00 179.45 175.27 2qbi h ASN 26 N -1.07 0.00 -0.27 4.20 4.21 -1.96 -0.83 115.58 119.85 2qbi h ASN 26 Ca -0.09 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 2qbi h ASN 26 Cb 0.69 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 2qbi h ASN 26 CO 0.14 0.00 0.14 1.23 -1.29 0.00 0.00 177.43 177.65 2qbi h GLY 27 N 2.17 0.41 1.83 2.83 0.00 -1.84 -0.42 103.07 108.05 2qbi h GLY 27 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 46.95 2qbi h GLY 27 CO 0.00 0.19 -0.94 3.21 0.00 0.00 0.00 176.54 178.99 2qbi h ARG 28 N 0.32 0.00 0.00 4.80 3.08 -1.34 -2.80 114.38 118.44 2qbi h ARG 28 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2qbi h ARG 28 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 2qbi h ARG 28 CO -0.01 0.74 0.00 0.94 -1.07 0.00 0.00 179.97 180.57 2qbi n GLN 29 N -3.25 0.48 -0.11 0.04 7.27 -0.34 -1.42 117.38 120.06 2qbi n GLN 29 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.88 2qbi n GLN 29 Cb 0.88 -1.45 -0.06 0.00 2.41 0.00 0.00 30.24 32.02 2qbi n GLN 29 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2qbi n VAL 30 N -0.95 1.48 -0.26 1.69 0.31 -0.21 -3.97 118.33 116.42 2qbi n VAL 30 Ca 0.10 -0.08 0.01 0.00 -0.01 0.00 0.00 64.34 64.37 2qbi n VAL 30 Cb 0.05 -2.12 0.14 0.00 -0.91 0.00 0.00 33.84 31.00 2qbi n VAL 30 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2qbi h LEU 31 N -0.96 0.59 -2.23 7.52 3.38 -1.41 0.48 115.31 122.68 2qbi h LEU 31 Ca -0.30 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qbi h LEU 31 Cb 1.23 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 2qbi h LEU 31 CO -0.18 0.35 -0.01 0.00 0.09 0.00 0.00 178.44 178.69 2qbi h ALA 32 N 1.42 1.74 0.00 1.53 0.00 -1.47 1.44 119.26 123.92 2qbi h ALA 32 Ca 0.36 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 2qbi h ALA 32 Cb 0.31 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2qbi h ALA 32 CO -0.23 0.01 -0.65 -0.09 0.00 0.00 0.00 179.25 178.29 2qbi h ARG 33 N 0.00 0.00 0.12 0.00 2.43 -0.23 -1.65 114.38 115.05 2qbi h ARG 33 Ca -0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 2qbi h ARG 33 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2qbi h ARG 33 CO 0.00 0.65 -1.77 0.00 -1.51 0.00 0.00 179.97 177.34 2qbi h ARG 34 N 0.00 0.26 -0.44 0.20 3.08 0.95 -3.08 114.38 115.35 2qbi h ARG 34 Ca -0.01 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.59 2qbi h ARG 34 Cb 1.28 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.48 2qbi h ARG 34 CO 0.08 1.12 0.24 0.00 -1.07 0.00 0.00 179.97 180.35 2qbi h ARG 35 N 0.07 0.62 0.01 0.04 3.08 0.18 0.27 114.38 118.64 2qbi h ARG 35 Ca -0.33 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.66 2qbi h ARG 35 Cb 2.04 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.95 2qbi h ARG 35 CO 0.13 0.49 -0.11 0.00 -1.07 0.00 0.00 179.97 179.41 2qbi h ALA 36 N 1.09 -0.13 0.00 0.04 0.00 -1.43 0.33 119.26 119.16 2qbi h ALA 36 Ca 0.16 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qbi h ALA 36 Cb 0.05 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qbi h ALA 36 CO -0.03 -0.61 0.00 1.17 0.00 0.00 0.00 179.25 179.79 2qbi n LYS 37 N -5.24 0.03 -3.04 0.00 4.81 -0.94 -4.89 118.16 108.89 2qbi n LYS 37 Ca -0.06 0.42 -0.02 0.00 -0.87 0.00 0.00 58.31 57.78 2qbi n LYS 37 Cb 0.16 -1.58 0.00 0.00 0.02 0.00 0.00 35.03 33.63 2qbi n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbi n GLY 38 N -0.79 -1.25 3.89 3.14 0.00 0.12 -5.01 105.19 105.28 2qbi n GLY 38 Ca 0.01 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.31 2qbi n GLY 38 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qbi s ARG 39 N -2.97 3.67 -0.08 1.61 6.06 -0.85 -5.01 118.95 121.37 2qbi s ARG 39 Ca 0.04 0.02 -0.20 0.00 -2.50 0.00 0.00 55.73 53.09 2qbi s ARG 39 Cb -0.01 -2.85 -0.16 0.00 0.06 0.00 0.00 34.95 31.99 2qbi s ARG 39 CO 0.76 0.46 0.73 0.00 -2.50 0.00 0.00 175.30 174.75 2qbi h ALA 40 N 2.97 -0.11 -1.82 6.12 0.00 -1.95 -3.40 119.26 121.07 2qbi h ALA 40 Ca -0.47 -0.27 -0.67 0.00 0.00 0.00 0.00 54.91 53.50 2qbi h ALA 40 Cb 1.17 0.04 -0.17 0.00 0.00 0.00 0.00 17.79 18.83 2qbi h ALA 40 CO 0.71 -0.17 0.37 1.03 0.00 0.00 0.00 179.25 181.19 2qbi s ARG 41 N -2.83 3.14 0.11 0.00 0.52 -1.26 -4.94 118.95 113.69 2qbi s ARG 41 Ca -0.13 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.64 2qbi s ARG 41 Cb -0.01 -4.32 -0.09 0.00 0.52 0.00 0.00 34.95 31.05 2qbi s ARG 41 CO 0.47 -1.68 1.66 1.25 0.02 0.00 0.00 175.30 177.02 2qbi h LEU 42 N 10.56 -0.59 -5.68 2.53 7.12 -1.99 -3.43 115.31 123.83 2qbi h LEU 42 Ca -0.24 0.07 0.05 0.00 0.13 0.00 0.00 57.88 57.89 2qbi h LEU 42 Cb 1.07 0.22 -0.19 0.00 -0.53 0.00 0.00 40.66 41.24 2qbi h LEU 42 CO 1.13 -0.30 -0.26 0.42 -0.13 0.00 0.00 178.44 179.30 2qbi s THR 43 N -6.09 -0.61 -0.78 1.05 -4.23 -1.26 -4.97 115.64 98.74 2qbi s THR 43 Ca -0.15 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2qbi s THR 43 Cb 0.08 -0.12 0.02 0.00 1.34 0.00 0.00 72.50 73.82 2qbi s THR 43 CO 0.65 0.00 0.48 0.52 -0.54 0.00 0.00 174.62 175.74 2qbi n VAL 44 N 4.28 -2.16 0.00 2.29 0.31 -1.26 -4.04 118.33 117.75 2qbi n VAL 44 Ca 0.08 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2qbi n VAL 44 Cb 0.59 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2qbi n VAL 44 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qbi n SER 45 N -1.59 0.00 0.00 4.52 3.41 -1.26 -4.81 113.62 113.88 2qbi n SER 45 Ca -0.16 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2qbi n SER 45 Cb 0.47 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2qbi n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05