#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh s LYS 4 N 0.00 2.03 -0.12 0.38 -2.85 -1.26 -5.04 119.74 112.88 2qbh s LYS 4 Ca 0.00 -1.14 -0.16 0.00 -1.00 0.00 0.00 55.97 53.67 2qbh s LYS 4 Cb 0.00 -2.22 0.04 0.00 -2.06 0.00 0.00 37.83 33.59 2qbh s LYS 4 CO 0.00 0.48 0.43 0.08 0.10 0.00 0.00 175.35 176.43 2qbh s VAL 5 N -1.37 0.01 -0.30 1.79 1.01 -1.26 -5.09 120.40 115.19 2qbh s VAL 5 Ca 0.22 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 2qbh s VAL 5 Cb -0.10 -0.64 0.18 0.00 0.00 0.00 0.00 36.38 35.82 2qbh s VAL 5 CO 0.14 -0.05 0.84 -0.60 0.00 0.00 0.00 175.10 175.42 2qbh s ARG 6 N -0.20 0.36 -0.01 2.72 3.52 -1.26 -5.17 118.95 118.91 2qbh s ARG 6 Ca -0.04 0.63 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 2qbh s ARG 6 Cb -0.03 0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.68 2qbh s ARG 6 CO 0.02 -0.40 -0.12 -1.21 -0.81 0.00 0.00 175.30 172.77 2qbh s GLU 7 N 2.91 2.43 0.80 5.12 0.41 -1.26 -5.13 118.70 123.99 2qbh s GLU 7 Ca 0.09 -0.76 -0.12 0.00 -0.41 0.00 0.00 54.97 53.77 2qbh s GLU 7 Cb -0.12 -2.39 0.08 0.00 -1.78 0.00 0.00 34.13 29.91 2qbh s GLU 7 CO -0.16 0.60 1.15 1.21 -0.49 0.00 0.00 175.26 177.57 2qbh s ASN 8 N -1.13 4.53 -0.03 -0.19 3.84 -1.26 -4.76 114.94 115.93 2qbh s ASN 8 Ca 0.14 0.94 -0.03 0.00 0.21 0.00 0.00 52.86 54.12 2qbh s ASN 8 Cb -0.11 -1.54 0.01 0.00 -0.55 0.00 0.00 41.25 39.06 2qbh s ASN 8 CO 0.04 -1.91 0.06 -0.62 -2.79 0.00 0.00 177.10 171.89 2qbh n GLU 9 N -3.34 -4.96 -1.63 0.43 4.71 -1.26 -4.66 120.64 109.93 2qbh n GLU 9 Ca 0.07 3.62 -0.15 0.00 -0.01 0.00 0.00 57.16 60.70 2qbh n GLU 9 Cb 0.59 -4.73 -0.07 0.00 -1.01 0.00 0.00 31.44 26.22 2qbh n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qbh s PRO 10 N -0.60 1.64 -0.29 3.49 0.04 -1.26 -4.89 135.00 133.13 2qbh s PRO 10 Ca -0.07 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.24 2qbh s PRO 10 Cb 0.00 -4.84 0.05 0.00 0.04 0.00 0.00 34.50 29.76 2qbh s PRO 10 CO 0.20 -4.49 -0.04 -0.59 0.04 0.00 0.00 177.00 172.12 2qbh s PHE 11 N 14.61 3.26 0.00 0.56 -0.12 -1.26 -5.02 117.98 130.02 2qbh s PHE 11 Ca 0.89 -2.02 -0.19 0.00 -0.05 0.00 0.00 56.93 55.56 2qbh s PHE 11 Cb -0.11 -2.05 -0.23 0.00 -0.63 0.00 0.00 43.02 40.00 2qbh s PHE 11 CO 0.08 -0.83 1.19 -0.25 -0.05 0.00 0.00 175.22 175.37 2qbh n ASP 12 N 4.56 0.34 -3.72 1.98 8.00 -1.26 -4.74 116.55 121.72 2qbh n ASP 12 Ca -0.13 -1.84 -0.17 0.00 0.71 0.00 0.00 54.79 53.35 2qbh n ASP 12 Cb 0.43 -0.35 -0.16 0.00 -0.02 0.00 0.00 41.12 41.02 2qbh n ASP 12 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qbh s VAL 13 N 5.54 -0.11 0.10 2.53 0.11 -1.26 -5.07 120.40 122.25 2qbh s VAL 13 Ca 0.42 0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 59.69 2qbh s VAL 13 Cb 0.09 -0.16 -0.20 0.00 -1.53 0.00 0.00 36.38 34.58 2qbh s VAL 13 CO 0.21 0.13 1.25 0.00 -3.33 0.00 0.00 175.10 173.36 2qbh h ALA 14 N 7.87 0.25 -5.70 1.54 0.00 -2.07 -3.48 119.26 117.67 2qbh h ALA 14 Ca -0.28 -0.70 -0.32 0.00 0.00 0.00 0.00 54.91 53.61 2qbh h ALA 14 Cb 1.12 0.02 0.16 0.00 0.00 0.00 0.00 17.79 19.09 2qbh h ALA 14 CO 0.30 0.74 -0.86 -0.11 0.00 0.00 0.00 179.25 179.33 2qbh n LEU 15 N -3.81 -4.59 0.21 0.00 -0.00 -1.26 -4.89 117.00 102.67 2qbh n LEU 15 Ca -0.09 -0.77 0.10 0.00 -0.00 0.00 0.00 56.01 55.25 2qbh n LEU 15 Cb 0.85 -2.98 0.26 0.00 -0.00 0.00 0.00 43.42 41.55 2qbh n LEU 15 CO 0.54 0.25 0.76 -0.09 -0.00 0.00 0.00 177.39 178.84 2qbh h ARG 16 N -1.44 0.00 -0.50 1.96 9.65 -2.03 -3.36 114.38 118.66 2qbh h ARG 16 Ca -0.62 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.36 2qbh h ARG 16 Cb 1.33 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.82 2qbh h ARG 16 CO 0.47 0.15 -0.14 0.54 2.80 0.00 0.00 179.97 183.79 2qbh n ARG 17 N -3.17 -0.06 -0.23 0.20 5.12 -1.26 0.10 116.66 117.36 2qbh n ARG 17 Ca 0.02 0.78 0.03 0.00 -1.93 0.00 0.00 57.85 56.76 2qbh n ARG 17 Cb 0.53 -1.17 0.14 0.00 -1.16 0.00 0.00 32.46 30.79 2qbh n ARG 17 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2qbh h PHE 18 N 0.00 0.04 0.33 -1.55 3.04 -1.98 -2.03 116.94 114.78 2qbh h PHE 18 Ca 0.23 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 2qbh h PHE 18 Cb 0.36 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 2qbh h PHE 18 CO -0.40 -0.17 -0.47 0.87 -2.02 0.00 0.00 178.31 176.13 2qbh h LYS 19 N 0.15 -0.80 -3.55 1.11 6.56 0.38 -3.15 116.57 117.27 2qbh h LYS 19 Ca 0.37 0.05 -0.74 0.00 -1.06 0.00 0.00 60.65 59.28 2qbh h LYS 19 Cb 0.62 0.18 -0.11 0.00 -0.57 0.00 0.00 32.23 32.35 2qbh h LYS 19 CO -0.56 -0.53 2.44 0.54 -2.06 0.00 0.00 179.45 179.27 2qbh n ARG 20 N -5.22 3.48 0.00 3.15 3.00 -0.77 -3.13 116.66 117.17 2qbh n ARG 20 Ca -0.10 -3.21 0.00 0.00 -0.01 0.00 0.00 57.85 54.53 2qbh n ARG 20 Cb 0.40 -3.00 0.00 0.00 0.00 0.00 0.00 32.46 29.86 2qbh n ARG 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2qbh n SER 21 N 4.31 0.00 0.00 0.55 3.41 -1.19 -4.89 113.62 115.82 2qbh n SER 21 Ca 0.46 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 58.28 2qbh n SER 21 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 2qbh n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbh n GLU 23 N -0.40 0.00 0.00 0.00 -0.58 -1.18 -4.97 120.64 113.50 2qbh n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbh n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbh n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbh n LYS 24 N 0.00 0.00 -0.53 3.49 0.00 -1.25 -4.49 118.16 115.37 2qbh n LYS 24 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 58.31 58.03 2qbh n LYS 24 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.28 2qbh n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbh n ALA 25 N 11.18 -4.05 0.00 3.14 0.00 -1.26 -2.54 120.51 126.97 2qbh n ALA 25 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 52.00 2qbh n ALA 25 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2qbh n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbh n GLY 26 N -4.77 0.96 0.01 0.00 0.00 -1.26 -3.93 105.19 96.19 2qbh n GLY 26 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2qbh n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbh n VAL 27 N 0.00 0.04 -0.07 1.61 0.31 -1.22 -3.41 118.33 115.59 2qbh n VAL 27 Ca 0.00 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.21 2qbh n VAL 27 Cb 0.00 0.36 -0.03 0.00 -0.91 0.00 0.00 33.84 33.26 2qbh n VAL 27 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qbh n LEU 28 N -1.59 1.82 0.26 7.52 4.77 -1.05 -3.85 117.00 124.88 2qbh n LEU 28 Ca 0.05 0.30 0.12 0.00 -0.03 0.00 0.00 56.01 56.45 2qbh n LEU 28 Cb 0.35 -0.69 0.65 0.00 -2.33 0.00 0.00 43.42 41.41 2qbh n LEU 28 CO 0.37 -0.34 0.98 0.00 -1.33 0.00 0.00 177.39 177.08 2qbh h ALA 29 N -0.87 1.23 0.02 -1.18 0.00 -1.85 0.72 119.26 117.33 2qbh h ALA 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2qbh h ALA 29 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 2qbh h ALA 29 CO 0.00 -0.23 -1.45 1.49 0.00 0.00 0.00 179.25 179.06 2qbh h GLU 30 N 0.00 0.04 -0.02 0.00 4.81 -1.76 -3.36 114.58 114.29 2qbh h GLU 30 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qbh h GLU 30 Cb 0.53 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2qbh h GLU 30 CO 0.00 0.77 -0.19 0.28 -0.73 0.00 0.00 179.01 179.14 2qbh n VAL 31 N -3.22 0.00 -0.04 0.32 0.31 0.21 -4.54 118.33 111.37 2qbh n VAL 31 Ca -0.11 -0.41 -0.12 0.00 -0.01 0.00 0.00 64.34 63.69 2qbh n VAL 31 Cb 1.01 1.35 -0.07 0.00 -0.91 0.00 0.00 33.84 35.22 2qbh n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qbh h ARG 32 N 3.27 0.23 0.00 5.55 2.43 -0.54 -3.46 114.38 121.85 2qbh h ARG 32 Ca 0.00 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2qbh h ARG 32 Cb 0.79 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2qbh h ARG 32 CO 0.00 0.49 0.00 -2.13 -1.51 0.00 0.00 179.97 176.82 2qbh n ARG 33 N -4.76 1.53 -0.74 0.20 0.63 -1.26 -5.09 116.66 107.17 2qbh n ARG 33 Ca -0.06 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.59 2qbh n ARG 33 Cb 0.22 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.24 2qbh n ARG 33 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qbh n ARG 34 N -0.70 -1.18 0.00 -0.14 -4.01 -1.26 -5.02 116.66 104.36 2qbh n ARG 34 Ca 0.00 -0.34 0.00 0.00 -1.04 0.00 0.00 57.85 56.47 2qbh n ARG 34 Cb 0.00 -1.37 0.00 0.00 -3.04 0.00 0.00 32.46 28.05 2qbh n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qbh n GLU 35 N -0.31 0.00 0.14 2.89 -0.58 -1.26 -4.91 120.64 116.62 2qbh n GLU 35 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2qbh n GLU 35 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 2qbh n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbh n PHE 36 N 0.00 -3.72 0.00 -0.32 0.99 -1.26 -5.02 117.46 108.12 2qbh n PHE 36 Ca 0.00 0.98 0.00 0.00 -0.00 0.00 0.00 57.45 58.43 2qbh n PHE 36 Cb 0.00 2.62 0.00 0.00 -1.00 0.00 0.00 39.48 41.10 2qbh n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbh n TYR 37 N -3.14 0.00 -0.13 1.38 0.53 -1.26 -3.04 117.16 111.50 2qbh n TYR 37 Ca 0.00 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.67 2qbh n TYR 37 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 39.34 38.20 2qbh n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 2qbh n GLU 38 N 0.00 0.62 -0.42 -0.72 4.07 -1.26 -4.52 120.64 118.41 2qbh n GLU 38 Ca 0.00 0.18 0.35 0.00 -0.06 0.00 0.00 57.16 57.63 2qbh n GLU 38 Cb 0.00 -1.50 0.66 0.00 -0.06 0.00 0.00 31.44 30.55 2qbh n GLU 38 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2qbh h LYS 39 N -0.30 0.13 0.18 5.31 1.57 -1.96 -2.38 116.57 119.12 2qbh h LYS 39 Ca -0.61 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 2qbh h LYS 39 Cb 1.80 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.08 2qbh h LYS 39 CO -0.19 0.08 -0.09 -1.00 -0.57 0.00 0.00 179.45 177.68 2qbh h PRO 40 N 0.13 -0.24 0.00 3.15 0.13 -1.80 0.03 132.00 133.40 2qbh h PRO 40 Ca 0.72 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.86 2qbh h PRO 40 Cb 2.40 0.05 0.00 0.00 0.13 0.00 0.00 31.00 33.58 2qbh h PRO 40 CO -0.23 0.17 0.12 0.25 -0.23 0.00 0.00 178.00 178.09 2qbh n THR 41 N -4.96 0.53 0.00 1.56 -2.24 -0.90 -1.66 114.28 106.62 2qbh n THR 41 Ca -0.08 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2qbh n THR 41 Cb 0.26 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 2qbh n THR 41 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qbh n THR 42 N -1.02 0.00 -0.30 4.28 -2.24 -1.19 -4.30 114.28 109.51 2qbh n THR 42 Ca 0.00 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.08 2qbh n THR 42 Cb 0.12 -0.57 0.55 0.00 -2.10 0.00 0.00 70.33 68.34 2qbh n THR 42 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbh n GLU 43 N -1.35 -0.06 0.08 -0.78 4.07 -0.01 0.12 120.64 122.72 2qbh n GLU 43 Ca 0.00 1.30 -0.22 0.00 -0.06 0.00 0.00 57.16 58.19 2qbh n GLU 43 Cb 0.00 -2.34 -0.15 0.00 -0.06 0.00 0.00 31.44 28.89 2qbh n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbh h ARG 44 N 0.00 0.39 0.00 5.31 -0.00 -1.48 -3.23 114.38 115.37 2qbh h ARG 44 Ca 0.80 -0.66 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 2qbh h ARG 44 Cb 2.11 0.25 0.00 0.00 0.00 0.00 0.00 29.97 32.33 2qbh h ARG 44 CO -0.73 1.32 0.00 1.63 0.00 0.00 0.00 179.97 182.19 2qbh n LYS 45 N -3.98 0.83 -0.02 0.04 5.02 0.33 -2.09 118.16 118.30 2qbh n LYS 45 Ca -0.15 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.21 2qbh n LYS 45 Cb 0.93 -1.12 -0.17 0.00 -0.02 0.00 0.00 35.03 34.65 2qbh n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbh n ARG 46 N -0.62 0.66 0.22 1.97 1.74 0.31 -4.05 116.66 116.90 2qbh n ARG 46 Ca 0.05 -0.16 0.15 0.00 -0.77 0.00 0.00 57.85 57.12 2qbh n ARG 46 Cb 0.02 -1.52 0.76 0.00 -1.02 0.00 0.00 32.46 30.70 2qbh n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbh h ALA 47 N 1.83 1.00 -0.24 7.54 0.00 -1.49 -0.18 119.26 127.72 2qbh h ALA 47 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2qbh h ALA 47 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qbh h ALA 47 CO 0.01 0.00 -0.54 1.57 0.00 0.00 0.00 179.25 180.29 2qbh h LYS 48 N 0.00 0.70 -0.02 0.00 5.09 -1.74 0.86 116.57 121.47 2qbh h LYS 48 Ca 0.00 -0.44 -0.00 0.00 0.09 0.00 0.00 60.65 60.30 2qbh h LYS 48 Cb 0.14 0.05 -0.00 0.00 0.10 0.00 0.00 32.23 32.52 2qbh h LYS 48 CO 0.00 1.06 -0.01 0.00 -2.09 0.00 0.00 179.45 178.41 2qbh h ALA 49 N 0.85 1.96 0.00 0.07 0.00 -1.26 0.73 119.26 121.61 2qbh h ALA 49 Ca 0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2qbh h ALA 49 Cb 1.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 2qbh h ALA 49 CO 0.11 0.04 -1.40 0.45 0.00 0.00 0.00 179.25 178.44 2qbh n SER 50 N -4.51 0.85 -0.02 0.00 2.88 -0.89 -4.09 113.62 107.84 2qbh n SER 50 Ca -0.03 0.37 -0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2qbh n SER 50 Cb 0.11 0.19 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 2qbh n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbh h ALA 51 N 1.46 0.21 -0.60 -1.46 0.00 0.28 -3.06 119.26 116.09 2qbh h ALA 51 Ca -0.16 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.35 2qbh h ALA 51 Cb 1.55 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2qbh h ALA 51 CO 0.04 0.51 0.43 -0.24 0.00 0.00 0.00 179.25 179.99 2qbh h VAL 52 N 0.27 0.72 0.00 0.00 3.04 0.22 -3.50 116.25 117.01 2qbh h VAL 52 Ca -0.06 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 2qbh h VAL 52 Cb 1.31 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2qbh h VAL 52 CO 0.14 0.01 0.00 1.17 -1.01 0.00 0.00 177.57 177.88