#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj s LYS 4 N 0.00 2.18 -0.13 0.38 -2.85 -1.26 -5.04 119.74 113.02 2qbj s LYS 4 Ca 0.00 -1.07 -0.16 0.00 -1.00 0.00 0.00 55.97 53.74 2qbj s LYS 4 Cb 0.00 -2.30 0.04 0.00 -2.06 0.00 0.00 37.83 33.51 2qbj s LYS 4 CO 0.00 0.49 0.44 0.08 0.10 0.00 0.00 175.35 176.45 2qbj s VAL 5 N -1.39 0.01 -0.30 1.79 1.01 -1.26 -5.09 120.40 115.17 2qbj s VAL 5 Ca 0.23 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2qbj s VAL 5 Cb -0.10 -0.64 0.18 0.00 0.00 0.00 0.00 36.38 35.82 2qbj s VAL 5 CO 0.15 -0.04 0.83 -0.60 0.00 0.00 0.00 175.10 175.43 2qbj s ARG 6 N -0.11 0.38 -0.04 2.72 3.52 -1.26 -5.17 118.95 118.99 2qbj s ARG 6 Ca -0.03 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.25 2qbj s ARG 6 Cb -0.03 0.36 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2qbj s ARG 6 CO 0.02 -0.43 -0.12 -1.21 -0.81 0.00 0.00 175.30 172.75 2qbj s GLU 7 N 2.91 2.52 0.82 5.12 0.41 -1.26 -5.12 118.70 124.10 2qbj s GLU 7 Ca 0.10 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 53.85 2qbj s GLU 7 Cb -0.12 -2.43 0.09 0.00 -1.78 0.00 0.00 34.13 29.88 2qbj s GLU 7 CO -0.17 0.62 1.14 1.21 -0.49 0.00 0.00 175.26 177.57 2qbj s ASN 8 N -0.94 4.34 -0.03 -0.19 3.84 -1.26 -4.75 114.94 115.94 2qbj s ASN 8 Ca 0.13 1.00 -0.03 0.00 0.21 0.00 0.00 52.86 54.16 2qbj s ASN 8 Cb -0.11 -1.61 0.01 0.00 -0.55 0.00 0.00 41.25 38.99 2qbj s ASN 8 CO 0.02 -2.03 0.06 -0.62 -2.79 0.00 0.00 177.10 171.75 2qbj n GLU 9 N -3.43 -5.02 -1.63 0.43 4.71 -1.26 -4.66 120.64 109.77 2qbj n GLU 9 Ca 0.07 3.67 -0.15 0.00 -0.01 0.00 0.00 57.16 60.74 2qbj n GLU 9 Cb 0.59 -4.78 -0.08 0.00 -1.01 0.00 0.00 31.44 26.16 2qbj n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qbj s PRO 10 N -0.61 1.63 -0.30 3.49 0.04 -1.26 -4.89 135.00 133.10 2qbj s PRO 10 Ca -0.07 0.22 -0.00 0.00 0.04 0.00 0.00 61.00 61.18 2qbj s PRO 10 Cb 0.00 -4.86 0.06 0.00 0.04 0.00 0.00 34.50 29.75 2qbj s PRO 10 CO 0.20 -4.53 -0.01 -0.59 0.04 0.00 0.00 177.00 172.11 2qbj s PHE 11 N 14.67 3.31 0.00 0.56 -0.12 -1.26 -5.02 117.98 130.11 2qbj s PHE 11 Ca 0.88 -2.07 -0.19 0.00 -0.05 0.00 0.00 56.93 55.50 2qbj s PHE 11 Cb -0.11 -2.18 -0.23 0.00 -0.63 0.00 0.00 43.02 39.88 2qbj s PHE 11 CO 0.09 -0.84 1.17 -0.25 -0.05 0.00 0.00 175.22 175.34 2qbj n ASP 12 N 4.56 0.30 -3.71 1.98 8.00 -1.26 -4.74 116.55 121.68 2qbj n ASP 12 Ca -0.12 -1.80 -0.17 0.00 0.71 0.00 0.00 54.79 53.42 2qbj n ASP 12 Cb 0.43 -0.33 -0.17 0.00 -0.02 0.00 0.00 41.12 41.03 2qbj n ASP 12 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qbj s VAL 13 N 5.47 -0.11 0.09 2.53 0.11 -1.26 -5.07 120.40 122.17 2qbj s VAL 13 Ca 0.42 0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 59.66 2qbj s VAL 13 Cb 0.09 -0.16 -0.19 0.00 -1.53 0.00 0.00 36.38 34.59 2qbj s VAL 13 CO 0.21 0.13 1.26 0.00 -3.33 0.00 0.00 175.10 173.37 2qbj h ALA 14 N 7.90 0.24 -5.66 1.54 0.00 -2.07 -3.48 119.26 117.74 2qbj h ALA 14 Ca -0.27 -0.65 -0.31 0.00 0.00 0.00 0.00 54.91 53.68 2qbj h ALA 14 Cb 1.12 0.02 0.16 0.00 0.00 0.00 0.00 17.79 19.09 2qbj h ALA 14 CO 0.29 0.70 -0.84 -0.11 0.00 0.00 0.00 179.25 179.28 2qbj n LEU 15 N -3.88 -4.65 0.20 0.00 -0.00 -1.26 -4.89 117.00 102.53 2qbj n LEU 15 Ca -0.09 -0.73 0.09 0.00 -0.00 0.00 0.00 56.01 55.28 2qbj n LEU 15 Cb 0.81 -3.04 0.30 0.00 -0.00 0.00 0.00 43.42 41.49 2qbj n LEU 15 CO 0.54 0.25 0.73 -0.09 -0.00 0.00 0.00 177.39 178.82 2qbj h ARG 16 N -1.47 0.00 -0.43 1.96 9.65 -2.02 -3.36 114.38 118.71 2qbj h ARG 16 Ca -0.61 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 58.35 2qbj h ARG 16 Cb 1.33 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.83 2qbj h ARG 16 CO 0.47 0.23 -0.13 0.54 2.80 0.00 0.00 179.97 183.88 2qbj n ARG 17 N -3.25 -0.06 -0.24 0.20 5.12 -1.26 0.12 116.66 117.29 2qbj n ARG 17 Ca 0.02 0.66 0.03 0.00 -1.93 0.00 0.00 57.85 56.63 2qbj n ARG 17 Cb 0.52 -0.98 0.14 0.00 -1.16 0.00 0.00 32.46 30.98 2qbj n ARG 17 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2qbj h PHE 18 N 0.00 -0.03 0.32 -1.55 3.04 -1.98 -1.90 116.94 114.84 2qbj h PHE 18 Ca 0.18 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 2qbj h PHE 18 Cb 0.29 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2qbj h PHE 18 CO -0.35 -0.20 -0.47 0.87 -2.02 0.00 0.00 178.31 176.15 2qbj h LYS 19 N 0.12 -0.79 -3.60 1.11 6.56 0.60 -3.15 116.57 117.42 2qbj h LYS 19 Ca 0.38 0.05 -0.74 0.00 -1.06 0.00 0.00 60.65 59.28 2qbj h LYS 19 Cb 0.64 0.18 -0.11 0.00 -0.57 0.00 0.00 32.23 32.37 2qbj h LYS 19 CO -0.60 -0.53 2.42 0.54 -2.06 0.00 0.00 179.45 179.22 2qbj n ARG 20 N -5.20 3.43 0.00 3.15 3.00 -0.72 -3.11 116.66 117.21 2qbj n ARG 20 Ca -0.10 -3.21 0.00 0.00 -0.01 0.00 0.00 57.85 54.53 2qbj n ARG 20 Cb 0.40 -3.02 0.00 0.00 0.00 0.00 0.00 32.46 29.84 2qbj n ARG 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2qbj n SER 21 N 4.43 0.00 0.00 0.55 3.41 -1.19 -4.88 113.62 115.94 2qbj n SER 21 Ca 0.45 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2qbj n SER 21 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2qbj n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbj n GLU 23 N -0.55 0.01 0.00 0.00 -0.58 -1.18 -4.97 120.64 113.37 2qbj n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbj n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbj n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbj n LYS 24 N 0.00 0.00 -0.52 3.49 0.00 -1.25 -4.50 118.16 115.37 2qbj n LYS 24 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.05 2qbj n LYS 24 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 35.03 35.27 2qbj n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbj n ALA 25 N 11.26 -3.87 0.00 3.14 0.00 -1.26 -2.57 120.51 127.21 2qbj n ALA 25 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.06 2qbj n ALA 25 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2qbj n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 26 N -4.52 0.89 0.01 0.00 0.00 -1.26 -3.95 105.19 96.36 2qbj n GLY 26 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2qbj n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbj n VAL 27 N 0.00 0.05 -0.08 1.61 0.31 -1.22 -3.48 118.33 115.52 2qbj n VAL 27 Ca 0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.18 2qbj n VAL 27 Cb 0.00 0.41 -0.03 0.00 -0.91 0.00 0.00 33.84 33.31 2qbj n VAL 27 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbj n LEU 28 N -1.61 1.82 0.26 7.52 4.77 -1.06 -3.85 117.00 124.84 2qbj n LEU 28 Ca 0.04 0.30 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 2qbj n LEU 28 Cb 0.36 -0.69 0.67 0.00 -2.33 0.00 0.00 43.42 41.43 2qbj n LEU 28 CO 0.38 -0.27 0.98 0.00 -1.33 0.00 0.00 177.39 177.15 2qbj h ALA 29 N -0.87 1.21 0.03 -1.18 0.00 -1.85 0.66 119.26 117.27 2qbj h ALA 29 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 2qbj h ALA 29 Cb 0.92 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2qbj h ALA 29 CO -0.03 -0.21 -1.47 1.49 0.00 0.00 0.00 179.25 179.03 2qbj h GLU 30 N 0.00 0.06 -0.02 0.00 4.81 -1.76 -3.36 114.58 114.31 2qbj h GLU 30 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2qbj h GLU 30 Cb 0.49 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2qbj h GLU 30 CO 0.00 0.80 -0.24 0.28 -0.73 0.00 0.00 179.01 179.12 2qbj n VAL 31 N -3.24 0.00 -0.05 0.32 0.31 0.19 -4.54 118.33 111.32 2qbj n VAL 31 Ca -0.12 -0.38 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 2qbj n VAL 31 Cb 1.02 1.33 -0.06 0.00 -0.91 0.00 0.00 33.84 35.21 2qbj n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qbj h ARG 32 N 3.08 0.29 0.00 5.55 2.43 -0.45 -3.46 114.38 121.83 2qbj h ARG 32 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qbj h ARG 32 Cb 0.78 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 2qbj h ARG 32 CO 0.00 0.51 0.00 -2.13 -1.51 0.00 0.00 179.97 176.84 2qbj n ARG 33 N -4.73 1.51 -0.70 0.20 0.63 -1.26 -5.09 116.66 107.21 2qbj n ARG 33 Ca -0.05 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.62 2qbj n ARG 33 Cb 0.22 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.25 2qbj n ARG 33 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qbj n ARG 34 N -0.71 -1.33 0.00 -0.14 -4.01 -1.26 -5.02 116.66 104.19 2qbj n ARG 34 Ca 0.00 -0.39 0.00 0.00 -1.04 0.00 0.00 57.85 56.42 2qbj n ARG 34 Cb 0.00 -1.40 0.00 0.00 -3.04 0.00 0.00 32.46 28.02 2qbj n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qbj n GLU 35 N -0.56 0.00 0.17 2.89 -0.58 -1.26 -4.91 120.64 116.39 2qbj n GLU 35 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2qbj n GLU 35 Cb 0.51 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.38 2qbj n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbj n PHE 36 N 0.00 -4.06 0.00 -0.32 0.99 -1.26 -5.02 117.46 107.79 2qbj n PHE 36 Ca 0.00 1.14 0.00 0.00 -0.00 0.00 0.00 57.45 58.59 2qbj n PHE 36 Cb 0.00 2.98 0.00 0.00 -1.00 0.00 0.00 39.48 41.46 2qbj n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbj n TYR 37 N -3.32 0.00 -0.13 1.38 0.53 -1.26 -2.90 117.16 111.47 2qbj n TYR 37 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.66 2qbj n TYR 37 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.20 2qbj n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 2qbj n GLU 38 N 0.00 0.62 -0.44 -0.72 4.07 -1.26 -4.52 120.64 118.39 2qbj n GLU 38 Ca 0.00 0.19 0.37 0.00 -0.06 0.00 0.00 57.16 57.66 2qbj n GLU 38 Cb 0.00 -1.50 0.67 0.00 -0.06 0.00 0.00 31.44 30.56 2qbj n GLU 38 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2qbj h LYS 39 N -0.36 0.11 0.22 5.31 1.57 -1.95 -2.33 116.57 119.14 2qbj h LYS 39 Ca -0.62 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.14 2qbj h LYS 39 Cb 1.79 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.07 2qbj h LYS 39 CO -0.21 0.07 -0.10 -1.00 -0.57 0.00 0.00 179.45 177.64 2qbj h PRO 40 N 0.11 -0.28 0.00 3.15 0.13 -1.80 0.13 132.00 133.44 2qbj h PRO 40 Ca 0.75 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.90 2qbj h PRO 40 Cb 2.53 0.06 0.00 0.00 0.13 0.00 0.00 31.00 33.72 2qbj h PRO 40 CO -0.25 0.10 0.12 0.25 -0.23 0.00 0.00 178.00 177.99 2qbj n THR 41 N -4.99 0.45 0.00 1.56 -2.24 -0.88 -1.63 114.28 106.56 2qbj n THR 41 Ca -0.08 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2qbj n THR 41 Cb 0.26 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 2qbj n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qbj n THR 42 N -0.98 0.00 -0.31 4.28 -2.24 -1.19 -4.32 114.28 109.53 2qbj n THR 42 Ca 0.00 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.08 2qbj n THR 42 Cb 0.12 -0.56 0.55 0.00 -2.10 0.00 0.00 70.33 68.34 2qbj n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbj n GLU 43 N -1.37 -0.06 0.09 -0.78 4.07 0.03 0.12 120.64 122.73 2qbj n GLU 43 Ca 0.00 1.33 -0.22 0.00 -0.06 0.00 0.00 57.16 58.21 2qbj n GLU 43 Cb 0.00 -2.38 -0.15 0.00 -0.06 0.00 0.00 31.44 28.85 2qbj n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbj h ARG 44 N 0.00 0.41 0.00 5.31 -0.00 -1.47 -3.22 114.38 115.40 2qbj h ARG 44 Ca 0.81 -0.69 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 2qbj h ARG 44 Cb 2.12 0.26 0.00 0.00 0.00 0.00 0.00 29.97 32.35 2qbj h ARG 44 CO -0.75 1.33 0.00 1.63 0.00 0.00 0.00 179.97 182.19 2qbj n LYS 45 N -3.95 0.85 -0.01 0.04 5.02 0.32 -2.09 118.16 118.34 2qbj n LYS 45 Ca -0.15 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.24 2qbj n LYS 45 Cb 0.94 -1.08 -0.16 0.00 -0.02 0.00 0.00 35.03 34.71 2qbj n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbj n ARG 46 N -0.58 0.64 0.22 1.97 1.74 0.30 -4.08 116.66 116.86 2qbj n ARG 46 Ca 0.03 -0.18 0.15 0.00 -0.77 0.00 0.00 57.85 57.08 2qbj n ARG 46 Cb 0.02 -1.50 0.72 0.00 -1.02 0.00 0.00 32.46 30.68 2qbj n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbj h ALA 47 N 1.87 1.00 -0.25 7.54 0.00 -1.50 -0.85 119.26 127.08 2qbj h ALA 47 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2qbj h ALA 47 Cb 1.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qbj h ALA 47 CO 0.00 0.00 -0.52 1.57 0.00 0.00 0.00 179.25 180.30 2qbj h LYS 48 N 0.00 0.72 -0.19 0.00 5.09 -1.74 0.80 116.57 121.25 2qbj h LYS 48 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 60.65 60.31 2qbj h LYS 48 Cb 0.21 0.05 -0.01 0.00 0.10 0.00 0.00 32.23 32.57 2qbj h LYS 48 CO 0.00 1.06 0.13 0.00 -2.09 0.00 0.00 179.45 178.55 2qbj h ALA 49 N 0.85 1.88 0.00 0.07 0.00 -1.39 0.79 119.26 121.46 2qbj h ALA 49 Ca 0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2qbj h ALA 49 Cb 1.09 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2qbj h ALA 49 CO 0.11 0.11 -1.25 1.03 0.00 0.00 0.00 179.25 179.24 2qbj h SER 50 N 0.25 0.00 -0.10 0.00 0.87 -1.40 -3.35 113.55 109.81 2qbj h SER 50 Ca 0.07 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 2qbj h SER 50 Cb -0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2qbj h SER 50 CO -0.02 0.52 -0.74 0.00 -0.53 0.00 0.00 176.83 176.07 2qbj h ALA 51 N 1.48 0.22 -0.49 6.23 0.00 0.28 -3.06 119.26 123.93 2qbj h ALA 51 Ca -0.13 -0.59 0.14 0.00 0.00 0.00 0.00 54.91 54.33 2qbj h ALA 51 Cb 1.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2qbj h ALA 51 CO 0.05 0.57 0.35 -0.24 0.00 0.00 0.00 179.25 179.98 2qbj h VAL 52 N 0.35 0.76 0.00 0.00 3.04 0.34 -3.50 116.25 117.24 2qbj h VAL 52 Ca -0.06 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2qbj h VAL 52 Cb 1.38 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2qbj h VAL 52 CO 0.15 0.00 0.00 1.17 -1.01 0.00 0.00 177.57 177.88