#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb s LYS 4 N 0.00 3.84 -0.19 0.38 -2.85 -1.26 -5.00 119.74 114.66 2qbb s LYS 4 Ca 0.00 0.30 -0.09 0.00 -1.00 0.00 0.00 55.97 55.18 2qbb s LYS 4 Cb 0.00 -2.85 0.07 0.00 -2.06 0.00 0.00 37.83 32.99 2qbb s LYS 4 CO 0.00 0.44 0.44 0.08 0.10 0.00 0.00 175.35 176.41 2qbb s VAL 5 N -1.58 -0.18 -0.23 1.79 1.01 -1.26 -5.07 120.40 114.88 2qbb s VAL 5 Ca 0.40 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 2qbb s VAL 5 Cb -0.13 -0.67 0.09 0.00 0.00 0.00 0.00 36.38 35.67 2qbb s VAL 5 CO 0.20 0.04 0.51 -0.60 0.00 0.00 0.00 175.10 175.25 2qbb s ARG 6 N 1.73 0.46 0.20 2.72 3.52 -1.26 -5.17 118.95 121.15 2qbb s ARG 6 Ca -0.08 1.10 0.11 0.00 -0.13 0.00 0.00 55.73 56.73 2qbb s ARG 6 Cb -0.09 0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 2qbb s ARG 6 CO -0.14 -0.20 -0.19 -1.21 -0.81 0.00 0.00 175.30 172.76 2qbb s GLU 7 N 2.23 1.72 0.22 5.12 0.41 -1.26 -5.14 118.70 122.00 2qbb s GLU 7 Ca -0.06 -1.48 -0.04 0.00 -0.41 0.00 0.00 54.97 52.98 2qbb s GLU 7 Cb -0.10 -1.93 -0.05 0.00 -1.78 0.00 0.00 34.13 30.26 2qbb s GLU 7 CO -0.15 0.40 0.46 1.21 -0.49 0.00 0.00 175.26 176.68 2qbb s ASN 8 N -2.87 6.46 0.02 -0.19 3.84 -1.26 -4.84 114.94 116.10 2qbb s ASN 8 Ca 0.24 0.61 0.00 0.00 0.21 0.00 0.00 52.86 53.92 2qbb s ASN 8 Cb -0.08 -2.10 0.00 0.00 -0.55 0.00 0.00 41.25 38.52 2qbb s ASN 8 CO 0.12 -0.07 0.00 -0.62 -2.79 0.00 0.00 177.10 173.74 2qbb n GLU 9 N -0.50 -2.37 -1.84 0.43 4.71 -1.26 -4.84 120.64 114.97 2qbb n GLU 9 Ca -0.02 1.99 -0.42 0.00 -0.01 0.00 0.00 57.16 58.70 2qbb n GLU 9 Cb 0.53 -2.38 -0.03 0.00 -1.01 0.00 0.00 31.44 28.56 2qbb n GLU 9 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2qbb s PRO 10 N -1.43 3.05 -0.02 3.49 0.04 -1.26 -4.96 135.00 133.91 2qbb s PRO 10 Ca 0.00 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 2qbb s PRO 10 Cb 0.00 -4.31 0.01 0.00 0.04 0.00 0.00 34.50 30.24 2qbb s PRO 10 CO 0.00 -2.19 0.04 -0.59 0.04 0.00 0.00 177.00 174.29 2qbb s PHE 11 N 8.16 -0.03 -0.73 0.56 -0.12 -1.26 -5.07 117.98 119.49 2qbb s PHE 11 Ca 0.86 0.12 -0.15 0.00 -0.05 0.00 0.00 56.93 57.71 2qbb s PHE 11 Cb -0.24 -0.04 -0.12 0.00 -0.63 0.00 0.00 43.02 41.99 2qbb s PHE 11 CO 0.32 -0.04 1.92 -0.25 -0.05 0.00 0.00 175.22 177.11 2qbb n ASP 12 N 3.35 3.21 -3.78 1.98 8.00 -1.26 -4.77 116.55 123.27 2qbb n ASP 12 Ca -0.16 -2.48 -0.28 0.00 0.71 0.00 0.00 54.79 52.58 2qbb n ASP 12 Cb 0.57 -1.03 -0.16 0.00 -0.02 0.00 0.00 41.12 40.48 2qbb n ASP 12 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qbb s VAL 13 N 4.48 0.71 0.17 2.53 0.11 -1.26 -5.04 120.40 122.10 2qbb s VAL 13 Ca 0.47 -0.59 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 2qbb s VAL 13 Cb 0.12 -1.11 -0.06 0.00 -1.53 0.00 0.00 36.38 33.80 2qbb s VAL 13 CO 0.06 -0.11 1.49 0.00 -3.33 0.00 0.00 175.10 173.21 2qbb h ALA 14 N 8.20 0.64 -5.92 1.54 0.00 -2.07 -3.48 119.26 118.17 2qbb h ALA 14 Ca -0.18 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 53.98 2qbb h ALA 14 Cb 1.11 -0.09 0.05 0.00 0.00 0.00 0.00 17.79 18.86 2qbb h ALA 14 CO 0.35 0.68 -0.60 -0.11 0.00 0.00 0.00 179.25 179.57 2qbb n LEU 15 N -3.99 -4.51 0.05 0.00 -0.00 -1.26 -4.89 117.00 102.40 2qbb n LEU 15 Ca -0.03 -0.60 0.12 0.00 -0.00 0.00 0.00 56.01 55.50 2qbb n LEU 15 Cb 0.59 -2.68 0.14 0.00 -0.00 0.00 0.00 43.42 41.47 2qbb n LEU 15 CO 0.48 -0.22 0.26 -1.14 -0.00 0.00 0.00 177.39 176.78 2qbb n ARG 16 N -2.78 0.28 -0.35 1.96 3.00 -1.26 -4.38 116.66 113.13 2qbb n ARG 16 Ca -0.10 0.06 0.02 0.00 -0.00 0.00 0.00 57.85 57.83 2qbb n ARG 16 Cb 0.58 -1.66 0.09 0.00 0.00 0.00 0.00 32.46 31.47 2qbb n ARG 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2qbb n ARG 17 N -2.05 -0.15 -0.24 -0.14 5.12 -1.26 -0.18 116.66 117.75 2qbb n ARG 17 Ca 0.03 1.46 -0.03 0.00 -1.93 0.00 0.00 57.85 57.38 2qbb n ARG 17 Cb 0.44 -2.18 0.08 0.00 -1.16 0.00 0.00 32.46 29.63 2qbb n ARG 17 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 2qbb h PHE 18 N 0.00 0.79 -0.29 -1.55 3.57 -1.98 -2.83 116.94 114.66 2qbb h PHE 18 Ca 0.39 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.98 2qbb h PHE 18 Cb 0.63 -0.26 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 2qbb h PHE 18 CO -0.78 0.45 -0.30 0.87 -2.23 0.00 0.00 178.31 176.32 2qbb h LYS 19 N 0.83 -0.28 -2.26 1.11 6.56 -0.85 -2.20 116.57 119.48 2qbb h LYS 19 Ca 0.28 0.02 -0.72 0.00 -1.06 0.00 0.00 60.65 59.16 2qbb h LYS 19 Cb 0.03 0.06 -0.21 0.00 -0.57 0.00 0.00 32.23 31.55 2qbb h LYS 19 CO -0.11 -0.19 1.33 0.54 -2.06 0.00 0.00 179.45 178.96 2qbb n ARG 20 N -5.40 4.10 0.00 3.15 3.00 -1.08 -3.84 116.66 116.59 2qbb n ARG 20 Ca -0.01 -3.65 0.00 0.00 -0.01 0.00 0.00 57.85 54.19 2qbb n ARG 20 Cb 0.32 -2.42 0.00 0.00 0.00 0.00 0.00 32.46 30.37 2qbb n ARG 20 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2qbb n SER 21 N 0.55 0.14 0.00 0.55 2.88 -0.83 -4.91 113.62 112.01 2qbb n SER 21 Ca 0.53 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2qbb n SER 21 Cb 0.31 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 2qbb n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbb n GLU 23 N -0.41 3.24 0.00 0.00 -0.58 -1.25 -4.87 120.64 116.77 2qbb n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbb n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbb n GLU 23 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qbb n LYS 24 N 0.00 0.00 -1.50 3.49 0.00 -1.26 -4.58 118.16 114.31 2qbb n LYS 24 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 58.31 57.82 2qbb n LYS 24 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2qbb n LYS 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbb n ALA 25 N 6.43 -1.93 0.00 3.14 0.00 -1.26 -0.91 120.51 125.97 2qbb n ALA 25 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2qbb n ALA 25 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2qbb n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbb n GLY 26 N 1.78 2.97 0.34 0.00 0.00 -1.26 -4.57 105.19 104.44 2qbb n GLY 26 Ca 0.16 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.50 2qbb n GLY 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qbb n VAL 27 N 0.00 0.00 0.02 1.61 0.31 -0.67 -3.95 118.33 115.65 2qbb n VAL 27 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2qbb n VAL 27 Cb 0.00 1.18 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 2qbb n VAL 27 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2qbb n LEU 28 N -0.47 0.32 0.18 7.52 0.00 -0.09 -4.51 117.00 119.96 2qbb n LEU 28 Ca 0.07 0.06 0.12 0.00 0.00 0.00 0.00 56.01 56.27 2qbb n LEU 28 Cb 0.42 -0.08 0.63 0.00 0.00 0.00 0.00 43.42 44.38 2qbb n LEU 28 CO 0.32 -0.30 0.87 0.00 0.00 0.00 0.00 177.39 178.28 2qbb h ALA 29 N 0.00 1.03 0.19 1.96 0.00 -1.81 -0.30 119.26 120.34 2qbb h ALA 29 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2qbb h ALA 29 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.38 2qbb h ALA 29 CO 0.00 -0.03 -1.53 1.49 0.00 0.00 0.00 179.25 179.18 2qbb h GLU 30 N 0.00 0.41 -0.01 0.00 4.81 -1.83 -3.34 114.58 114.62 2qbb h GLU 30 Ca 0.00 -0.70 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 2qbb h GLU 30 Cb 0.10 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qbb h GLU 30 CO 0.00 1.33 -0.00 0.28 -0.73 0.00 0.00 179.01 179.89 2qbb n VAL 31 N -3.74 0.00 0.05 0.32 0.31 -0.20 -4.20 118.33 110.88 2qbb n VAL 31 Ca -0.21 -0.14 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 2qbb n VAL 31 Cb 1.03 0.05 -0.07 0.00 -0.91 0.00 0.00 33.84 33.94 2qbb n VAL 31 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qbb h ARG 32 N 1.28 -0.03 0.00 5.55 2.43 -1.48 -3.45 114.38 118.68 2qbb h ARG 32 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbb h ARG 32 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2qbb h ARG 32 CO 0.00 -0.01 0.00 -2.13 -1.51 0.00 0.00 179.97 176.32 2qbb n ARG 33 N -5.10 2.91 -0.59 0.20 0.63 -1.26 -5.09 116.66 108.36 2qbb n ARG 33 Ca -0.07 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.66 2qbb n ARG 33 Cb 0.04 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.08 2qbb n ARG 33 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2qbb n ARG 34 N 0.00 -1.85 0.00 -0.14 -4.01 -1.26 -5.02 116.66 104.37 2qbb n ARG 34 Ca 0.00 -0.55 0.00 0.00 -1.04 0.00 0.00 57.85 56.26 2qbb n ARG 34 Cb 0.00 -1.43 0.00 0.00 -3.04 0.00 0.00 32.46 27.99 2qbb n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2qbb n GLU 35 N -1.20 0.00 0.00 2.89 -0.58 -1.26 -4.87 120.64 115.61 2qbb n GLU 35 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2qbb n GLU 35 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 2qbb n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2qbb n PHE 36 N 0.00 0.00 0.00 -0.32 0.99 -1.26 -5.02 117.46 111.85 2qbb n PHE 36 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2qbb n PHE 36 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2qbb n PHE 36 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2qbb n TYR 37 N 0.00 0.00 -0.08 1.38 0.53 -1.26 -3.07 117.16 114.66 2qbb n TYR 37 Ca 0.00 0.00 -0.23 0.00 -1.02 0.00 0.00 57.90 56.65 2qbb n TYR 37 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.19 2qbb n TYR 37 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 2qbb n GLU 38 N 0.00 0.64 -0.40 -0.72 4.07 -1.26 -4.41 120.64 118.56 2qbb n GLU 38 Ca 0.00 0.38 0.36 0.00 -0.06 0.00 0.00 57.16 57.85 2qbb n GLU 38 Cb 0.00 -1.67 0.64 0.00 -0.06 0.00 0.00 31.44 30.35 2qbb n GLU 38 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2qbb h LYS 39 N -0.54 0.00 0.28 5.31 1.57 -1.96 -2.68 116.57 118.55 2qbb h LYS 39 Ca -0.45 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 2qbb h LYS 39 Cb 1.66 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 2qbb h LYS 39 CO -0.13 0.00 -0.14 -1.00 -0.57 0.00 0.00 179.45 177.61 2qbb h PRO 40 N 0.00 -0.36 0.00 3.15 0.13 -1.82 0.25 132.00 133.34 2qbb h PRO 40 Ca 0.87 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 66.02 2qbb h PRO 40 Cb 2.57 0.08 0.00 0.00 0.13 0.00 0.00 31.00 33.78 2qbb h PRO 40 CO -0.61 -0.24 0.68 1.79 -0.23 0.00 0.00 178.00 179.38 2qbb h THR 41 N -0.62 0.00 0.00 1.56 1.35 -1.71 0.15 112.91 113.64 2qbb h THR 41 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 2qbb h THR 41 Cb 0.29 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 2qbb h THR 41 CO 0.06 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.68 2qbb n THR 42 N -2.19 0.00 -0.47 6.82 -2.24 -1.17 -4.03 114.28 111.01 2qbb n THR 42 Ca -0.00 0.00 0.38 0.00 -2.27 0.00 0.00 64.05 62.16 2qbb n THR 42 Cb 0.69 -0.73 0.67 0.00 -2.10 0.00 0.00 70.33 68.86 2qbb n THR 42 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qbb h GLU 43 N 0.00 0.08 0.13 -0.78 4.57 -0.46 0.79 114.58 118.92 2qbb h GLU 43 Ca 0.00 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 2qbb h GLU 43 Cb 0.00 -0.02 0.02 0.00 -0.16 0.00 0.00 28.75 28.60 2qbb h GLU 43 CO 0.00 0.06 -0.96 0.00 -1.18 0.00 0.00 179.01 176.92 2qbb h ARG 44 N 0.09 0.42 0.00 1.92 -0.00 -0.75 -3.21 114.38 112.84 2qbb h ARG 44 Ca 0.81 -0.63 0.00 0.00 -0.50 0.00 0.00 59.98 59.66 2qbb h ARG 44 Cb 2.65 0.22 0.00 0.00 0.00 0.00 0.00 29.97 32.85 2qbb h ARG 44 CO -0.33 1.28 0.00 1.63 0.00 0.00 0.00 179.97 182.55 2qbb n LYS 45 N -4.02 0.96 0.03 0.04 5.02 0.24 -2.53 118.16 117.91 2qbb n LYS 45 Ca -0.14 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.24 2qbb n LYS 45 Cb 0.87 -1.07 -0.09 0.00 -0.02 0.00 0.00 35.03 34.72 2qbb n LYS 45 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbb n ARG 46 N -0.57 0.64 0.19 1.97 1.74 0.90 -3.81 116.66 117.71 2qbb n ARG 46 Ca 0.03 -0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.25 2qbb n ARG 46 Cb 0.02 -1.68 0.59 0.00 -1.02 0.00 0.00 32.46 30.36 2qbb n ARG 46 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbb h ALA 47 N 1.85 1.00 -0.46 7.54 0.00 -1.60 -2.33 119.26 125.25 2qbb h ALA 47 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2qbb h ALA 47 Cb 1.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2qbb h ALA 47 CO 0.01 0.00 -0.20 1.57 0.00 0.00 0.00 179.25 180.63 2qbb h LYS 48 N 0.00 0.94 -0.82 0.00 5.09 -1.75 0.59 116.57 120.63 2qbb h LYS 48 Ca 0.00 -0.40 -0.03 0.00 0.09 0.00 0.00 60.65 60.31 2qbb h LYS 48 Cb 0.38 -0.03 -0.04 0.00 0.10 0.00 0.00 32.23 32.64 2qbb h LYS 48 CO 0.00 1.07 0.40 0.00 -2.09 0.00 0.00 179.45 178.83 2qbb h ALA 49 N 0.85 1.17 0.00 0.07 0.00 -1.64 0.14 119.26 119.85 2qbb h ALA 49 Ca 0.11 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2qbb h ALA 49 Cb 0.77 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qbb h ALA 49 CO 0.06 0.64 -0.62 1.03 0.00 0.00 0.00 179.25 180.36 2qbb h SER 50 N 1.16 0.00 0.05 0.00 0.87 -1.41 -3.13 113.55 111.09 2qbb h SER 50 Ca 0.28 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2qbb h SER 50 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2qbb h SER 50 CO -0.04 0.62 -0.02 0.00 -0.53 0.00 0.00 176.83 176.86 2qbb h ALA 51 N 1.38 -0.07 -0.68 6.23 0.00 0.17 -2.77 119.26 123.51 2qbb h ALA 51 Ca -0.01 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.92 2qbb h ALA 51 Cb 1.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2qbb h ALA 51 CO 0.08 -0.36 0.49 -0.24 0.00 0.00 0.00 179.25 179.22 2qbb h VAL 52 N -0.43 0.67 0.00 0.00 3.04 -0.80 -3.50 116.25 115.23 2qbb h VAL 52 Ca -0.01 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2qbb h VAL 52 Cb 0.38 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 2qbb h VAL 52 CO 0.01 0.01 0.00 1.17 -1.01 0.00 0.00 177.57 177.75