#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s LYS 4 N 0.00 0.53 0.30 0.38 2.47 -1.26 -5.17 119.74 116.99 2avy s LYS 4 Ca 0.00 0.85 0.04 0.00 -1.56 0.00 0.00 55.97 55.30 2avy s LYS 4 Cb 0.00 0.33 -0.02 0.00 -1.46 0.00 0.00 37.83 36.67 2avy s LYS 4 CO 0.00 -0.69 0.45 0.08 0.16 0.00 0.00 175.35 175.35 2avy s VAL 5 N 2.80 4.80 0.00 4.02 1.01 -1.26 -5.10 120.40 126.66 2avy s VAL 5 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2avy s VAL 5 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2avy s VAL 5 CO -0.21 -0.32 0.00 -1.14 0.00 0.00 0.00 175.10 173.43 2avy n ARG 6 N -1.59 0.00 -3.84 2.72 0.63 -1.26 -5.19 116.66 108.13 2avy n ARG 6 Ca -0.05 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.76 2avy n ARG 6 Cb 0.57 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.37 2avy n ARG 6 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2avy s GLU 7 N 0.00 0.35 0.51 -0.14 2.02 -1.26 -5.17 118.70 115.02 2avy s GLU 7 Ca 0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 54.97 54.87 2avy s GLU 7 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 34.13 34.36 2avy s GLU 7 CO 0.00 -0.07 0.82 1.21 0.02 0.00 0.00 175.26 177.24 2avy s ASN 8 N -0.65 6.10 -0.15 -0.19 3.84 -1.26 -4.76 114.94 117.88 2avy s ASN 8 Ca -0.07 0.88 -0.03 0.00 0.21 0.00 0.00 52.86 53.85 2avy s ASN 8 Cb -0.04 -2.11 0.00 0.00 -0.55 0.00 0.00 41.25 38.55 2avy s ASN 8 CO 0.01 -0.70 0.11 -0.62 -2.79 0.00 0.00 177.10 173.11 2avy n GLU 9 N -2.35 -1.22 -1.71 0.43 4.71 -1.26 -4.84 120.64 114.40 2avy n GLU 9 Ca 0.02 1.31 -0.67 0.00 -0.01 0.00 0.00 57.16 57.81 2avy n GLU 9 Cb 0.56 -2.97 -0.10 0.00 -1.01 0.00 0.00 31.44 27.92 2avy n GLU 9 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2avy n PRO 10 N -0.03 0.04 -3.64 3.49 -0.04 -1.26 -4.91 135.00 128.64 2avy n PRO 10 Ca 0.02 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2avy n PRO 10 Cb 0.08 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.95 2avy n PRO 10 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2avy s PHE 11 N 3.27 -0.24 -1.16 0.54 -0.12 -1.26 -5.05 117.98 113.97 2avy s PHE 11 Ca 1.06 0.58 -0.04 0.00 -0.05 0.00 0.00 56.93 58.48 2avy s PHE 11 Cb -1.49 0.43 0.18 0.00 -0.63 0.00 0.00 43.02 41.51 2avy s PHE 11 CO 0.80 -0.12 2.25 -0.25 -0.05 0.00 0.00 175.22 177.85 2avy n ASP 12 N 1.84 7.72 0.00 1.98 10.43 -1.26 -4.82 116.55 132.44 2avy n ASP 12 Ca -0.11 -3.33 0.00 0.00 2.57 0.00 0.00 54.79 53.92 2avy n ASP 12 Cb 0.56 -1.29 0.00 0.00 1.84 0.00 0.00 41.12 42.24 2avy n ASP 12 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 2avy n VAL 13 N 1.07 0.00 0.00 2.53 3.14 -1.26 -5.06 118.33 118.75 2avy n VAL 13 Ca 0.57 1.01 0.00 0.00 -2.96 0.00 0.00 64.34 62.96 2avy n VAL 13 Cb 0.27 -1.89 0.00 0.00 -1.06 0.00 0.00 33.84 31.16 2avy n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2avy n ALA 14 N -1.19 0.00 -0.61 1.55 0.00 -1.26 -5.02 120.51 113.99 2avy n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2avy n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2avy n ALA 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2avy n LEU 15 N 0.00 0.36 0.01 0.00 7.94 -1.26 -4.78 117.00 119.28 2avy n LEU 15 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 2avy n LEU 15 Cb 0.00 -0.59 -0.14 0.00 0.53 0.00 0.00 43.42 43.22 2avy n LEU 15 CO 0.00 -0.18 -0.62 0.03 -1.11 0.00 0.00 177.39 175.51 2avy h ARG 16 N 1.51 0.27 0.00 1.96 -0.00 -2.01 -3.12 114.38 112.99 2avy h ARG 16 Ca 0.00 -0.46 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2avy h ARG 16 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.14 2avy h ARG 16 CO 0.00 1.22 0.00 2.89 0.00 0.00 0.00 179.97 184.08 2avy n ARG 17 N -3.71 0.90 0.13 0.04 1.85 -1.26 -2.68 116.66 111.93 2avy n ARG 17 Ca -0.28 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.33 2avy n ARG 17 Cb 0.98 -1.23 -0.15 0.00 -1.05 0.00 0.00 32.46 31.01 2avy n ARG 17 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2avy h PHE 18 N 0.00 0.98 0.00 2.89 -1.00 -1.94 -2.92 116.94 114.94 2avy h PHE 18 Ca 0.00 -0.69 0.00 0.00 2.81 0.00 0.00 57.97 60.09 2avy h PHE 18 Cb 0.00 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.51 2avy h PHE 18 CO 0.00 1.53 0.00 1.63 -1.61 0.00 0.00 178.31 179.86 2avy n LYS 19 N -3.77 0.06 -0.64 1.51 4.01 -1.09 -3.60 118.16 114.65 2avy n LYS 19 Ca -0.16 0.10 -0.03 0.00 -0.51 0.00 0.00 58.31 57.70 2avy n LYS 19 Cb 1.06 -1.58 -0.05 0.00 -0.51 0.00 0.00 35.03 33.95 2avy n LYS 19 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2avy n ARG 20 N -1.70 1.28 -2.74 1.97 0.63 -1.10 -3.90 116.66 111.10 2avy n ARG 20 Ca 0.06 -0.28 -0.08 0.00 -0.92 0.00 0.00 57.85 56.63 2avy n ARG 20 Cb 0.33 -1.28 0.06 0.00 0.45 0.00 0.00 32.46 32.02 2avy n ARG 20 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2avy n SER 21 N 1.79 -2.67 0.00 6.15 3.41 -1.24 -4.90 113.62 116.16 2avy n SER 21 Ca 0.12 -3.30 0.00 0.00 -0.26 0.00 0.00 58.87 55.43 2avy n SER 21 Cb 0.62 1.79 0.00 0.00 -0.26 0.00 0.00 64.21 66.36 2avy n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2avy n GLU 23 N 0.00 0.00 0.00 0.00 1.02 -1.26 -5.01 120.64 115.39 2avy n GLU 23 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2avy n GLU 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2avy n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2avy n LYS 24 N 0.00 0.00 -1.66 3.49 4.76 -1.26 -3.92 118.16 119.57 2avy n LYS 24 Ca 0.00 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.28 2avy n LYS 24 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2avy n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2avy s ALA 25 N -1.38 0.71 0.00 7.82 0.00 -1.26 -2.87 121.76 124.78 2avy s ALA 25 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2avy s ALA 25 Cb 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.47 2avy s ALA 25 CO 0.00 -6.37 0.00 0.41 0.00 0.00 0.00 175.76 169.80 2avy n GLY 26 N 6.37 -1.93 0.00 0.00 0.00 -1.25 -4.81 105.19 103.56 2avy n GLY 26 Ca 0.43 0.54 0.04 0.00 0.00 0.00 0.00 46.02 47.03 2avy n GLY 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2avy n VAL 27 N -1.96 0.00 -0.02 1.61 3.14 -1.14 0.16 118.33 120.13 2avy n VAL 27 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2avy n VAL 27 Cb 0.00 -0.53 -0.00 0.00 -1.06 0.00 0.00 33.84 32.25 2avy n VAL 27 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2avy n LEU 28 N -0.76 0.40 0.31 6.55 4.77 -1.24 -3.98 117.00 123.05 2avy n LEU 28 Ca 0.06 0.21 0.20 0.00 -0.03 0.00 0.00 56.01 56.45 2avy n LEU 28 Cb 0.03 -0.57 1.06 0.00 -2.33 0.00 0.00 43.42 41.61 2avy n LEU 28 CO 0.04 -0.48 1.16 0.00 -1.33 0.00 0.00 177.39 176.79 2avy h ALA 29 N -1.79 1.25 -0.94 -1.18 0.00 -1.80 0.40 119.26 115.20 2avy h ALA 29 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2avy h ALA 29 Cb 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2avy h ALA 29 CO 0.00 -0.09 0.61 1.49 0.00 0.00 0.00 179.25 181.26 2avy h GLU 30 N 0.00 1.11 0.00 0.00 4.81 0.14 -3.19 114.58 117.44 2avy h GLU 30 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2avy h GLU 30 Cb 0.17 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2avy h GLU 30 CO -0.00 0.73 0.00 0.28 -0.73 0.00 0.00 179.01 179.29 2avy n VAL 31 N -4.52 0.00 0.00 0.32 0.31 0.12 -4.73 118.33 109.84 2avy n VAL 31 Ca 0.13 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.79 2avy n VAL 31 Cb 0.14 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2avy n VAL 31 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2avy n ARG 32 N -1.14 0.00 0.00 5.55 0.63 -0.26 -4.16 116.66 117.28 2avy n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2avy n ARG 32 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2avy n ARG 32 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2avy n ARG 33 N 0.00 2.24 0.00 -0.14 1.74 -1.26 -5.04 116.66 114.20 2avy n ARG 33 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2avy n ARG 33 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2avy n ARG 33 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2avy n ARG 34 N 0.00 -1.80 0.00 5.56 -4.01 -1.26 -5.07 116.66 110.08 2avy n ARG 34 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2avy n ARG 34 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2avy n ARG 34 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2avy n GLU 35 N -1.88 0.00 0.04 2.89 -0.58 -1.26 -4.83 120.64 115.02 2avy n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2avy n GLU 35 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2avy n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2avy n PHE 36 N 0.00 -2.31 0.00 -0.32 3.01 -1.26 -5.00 117.46 111.58 2avy n PHE 36 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.74 2avy n PHE 36 Cb 0.00 1.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.47 2avy n PHE 36 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2avy n TYR 37 N -2.47 0.00 -0.00 1.38 4.02 -1.26 -2.69 117.16 116.14 2avy n TYR 37 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 2avy n TYR 37 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 2avy n TYR 37 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2avy n GLU 38 N 0.00 0.63 -0.00 -0.72 -0.00 -1.26 -3.98 120.64 115.31 2avy n GLU 38 Ca 0.00 0.21 0.10 0.00 -0.00 0.00 0.00 57.16 57.46 2avy n GLU 38 Cb 0.00 -1.76 0.51 0.00 -0.00 0.00 0.00 31.44 30.19 2avy n GLU 38 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2avy h LYS 39 N 0.00 0.36 0.00 3.44 1.57 -1.93 -2.82 116.57 117.18 2avy h LYS 39 Ca -0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2avy h LYS 39 Cb 1.80 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2avy h LYS 39 CO 0.05 0.24 -0.06 -1.00 -0.57 0.00 0.00 179.45 178.11 2avy h PRO 40 N 0.37 0.00 -0.52 3.15 0.13 -1.77 -1.73 132.00 131.63 2avy h PRO 40 Ca 0.20 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.48 2avy h PRO 40 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2avy h PRO 40 CO -0.05 0.00 0.99 0.00 -0.23 0.00 0.00 178.00 178.71 2avy h THR 41 N -0.79 0.04 0.00 1.56 1.03 -1.69 2.15 112.91 115.22 2avy h THR 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2avy h THR 41 Cb 0.06 0.13 0.00 0.00 -1.07 0.00 0.00 68.15 67.27 2avy h THR 41 CO 0.00 0.00 -0.44 0.35 -0.01 0.00 0.00 175.52 175.42 2avy n THR 42 N -3.00 1.07 0.30 0.00 -2.24 -1.07 -3.56 114.28 105.78 2avy n THR 42 Ca 0.11 0.28 0.17 0.00 -2.27 0.00 0.00 64.05 62.34 2avy n THR 42 Cb 1.16 -2.16 0.81 0.00 -2.10 0.00 0.00 70.33 68.04 2avy n THR 42 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2avy h GLU 43 N -0.75 0.00 0.00 -0.78 4.57 -0.06 0.11 114.58 117.67 2avy h GLU 43 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2avy h GLU 43 Cb 0.44 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 2avy h GLU 43 CO 0.00 0.00 -0.71 0.00 -1.18 0.00 0.00 179.01 177.12 2avy h ARG 44 N 0.00 0.00 -0.53 1.92 2.47 0.33 -2.12 114.38 116.44 2avy h ARG 44 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2avy h ARG 44 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2avy h ARG 44 CO 0.00 0.46 0.00 1.63 0.56 0.00 0.00 179.97 182.62 2avy n LYS 45 N -3.15 2.59 -0.04 0.04 5.02 0.24 -3.71 118.16 119.16 2avy n LYS 45 Ca -0.00 -2.41 -0.05 0.00 -2.02 0.00 0.00 58.31 53.82 2avy n LYS 45 Cb 0.76 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 2avy n LYS 45 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2avy n ARG 46 N 1.46 0.90 0.29 1.97 0.63 -0.34 -4.37 116.66 117.18 2avy n ARG 46 Ca 0.21 0.04 0.18 0.00 -0.92 0.00 0.00 57.85 57.35 2avy n ARG 46 Cb 0.59 -1.17 0.80 0.00 0.45 0.00 0.00 32.46 33.13 2avy n ARG 46 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2avy h ALA 47 N 0.08 1.01 -0.18 5.13 0.00 -1.55 -0.81 119.26 122.95 2avy h ALA 47 Ca -0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 2avy h ALA 47 Cb 1.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2avy h ALA 47 CO -0.02 0.02 -0.50 1.57 0.00 0.00 0.00 179.25 180.32 2avy h LYS 48 N 0.00 0.47 -0.94 0.00 5.09 -1.77 -2.60 116.57 116.83 2avy h LYS 48 Ca -0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 60.65 60.46 2avy h LYS 48 Cb 0.40 0.02 -0.05 0.00 0.10 0.00 0.00 32.23 32.70 2avy h LYS 48 CO 0.00 0.86 0.57 0.00 -2.09 0.00 0.00 179.45 178.79 2avy h ALA 49 N 1.09 1.23 -0.28 0.07 0.00 -1.35 -2.18 119.26 117.84 2avy h ALA 49 Ca 0.02 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2avy h ALA 49 Cb 1.01 -0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2avy h ALA 49 CO 0.09 0.66 -0.16 1.03 0.00 0.00 0.00 179.25 180.86 2avy h SER 50 N 1.29 -0.54 -0.37 0.00 0.87 -1.35 -3.24 113.55 110.22 2avy h SER 50 Ca 0.34 0.12 -0.35 0.00 -1.23 0.00 0.00 61.79 60.66 2avy h SER 50 Cb -0.06 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2avy h SER 50 CO -0.06 -0.20 1.16 0.00 -0.53 0.00 0.00 176.83 177.20 2avy n ALA 51 N -2.71 1.87 0.00 6.23 0.00 -0.82 -3.17 120.51 121.90 2avy n ALA 51 Ca -0.00 -2.99 0.00 0.00 0.00 0.00 0.00 53.44 50.45 2avy n ALA 51 Cb 0.24 -3.49 0.00 0.00 0.00 0.00 0.00 19.45 16.20 2avy n ALA 51 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2avy n VAL 52 N 7.66 0.00 -0.42 0.00 3.14 -1.22 -4.98 118.33 122.50 2avy n VAL 52 Ca 0.45 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.83 2avy n VAL 52 Cb 0.46 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.24 2avy n VAL 52 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54