#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twg n THR 26 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -5.12 114.28 106.86 1twg n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1twg n THR 26 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1twg n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twg n LEU 27 N 0.00 0.00 0.00 -4.42 -0.00 -1.26 -5.13 117.00 106.19 1twg n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1twg n LEU 27 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1twg n LEU 27 CO 0.00 -0.02 0.00 1.17 -0.00 0.00 0.00 177.39 178.54 1twg n LYS 28 N -1.54 0.00 -4.50 1.47 4.81 -1.26 -4.42 118.16 112.72 1twg n LYS 28 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 1twg n LYS 28 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1twg n LYS 28 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1twg s TYR 29 N -0.03 1.78 0.03 5.64 1.51 -1.26 -4.47 117.35 120.55 1twg s TYR 29 Ca 0.00 -1.36 -0.06 0.00 -1.01 0.00 0.00 57.07 54.64 1twg s TYR 29 Cb 0.00 -1.10 -0.01 0.00 -0.11 0.00 0.00 41.96 40.74 1twg s TYR 29 CO 0.00 -0.39 0.11 0.42 -1.11 0.00 0.00 175.55 174.58 1twg s ILE 30 N -3.21 0.12 -0.45 2.71 1.01 -0.91 -3.38 121.20 117.09 1twg s ILE 30 Ca 0.24 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1twg s ILE 30 Cb 0.02 -0.78 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1twg s ILE 30 CO 0.16 -0.55 1.12 0.00 0.00 0.00 0.00 174.94 175.67 1twg n ALA 32 N 7.65 -0.09 -0.27 0.00 0.00 -0.65 -3.26 120.51 123.89 1twg n ALA 32 Ca 0.12 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1twg n ALA 32 Cb 0.49 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1twg n ALA 32 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1twg n GLU 33 N -3.15 0.00 -0.10 0.00 0.00 -1.26 -4.58 120.64 111.55 1twg n GLU 33 Ca 0.00 0.36 0.05 0.00 0.00 0.00 0.00 57.16 57.58 1twg n GLU 33 Cb 0.04 -1.29 0.17 0.00 0.00 0.00 0.00 31.44 30.36 1twg n GLU 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1twg n SER 35 N 0.10 -5.13 -3.47 0.00 2.88 -1.20 -4.93 113.62 101.87 1twg n SER 35 Ca 0.09 -0.21 -0.17 0.00 -1.33 0.00 0.00 58.87 57.25 1twg n SER 35 Cb 0.20 -4.00 -0.12 0.00 -0.75 0.00 0.00 64.21 59.54 1twg n SER 35 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1twg s SER 36 N -2.73 1.23 -0.44 -3.46 1.04 -1.26 -4.90 113.70 103.17 1twg s SER 36 Ca 0.22 -0.17 -0.41 0.00 0.48 0.00 0.00 55.95 56.07 1twg s SER 36 Cb -0.10 0.49 -0.16 0.00 0.10 0.00 0.00 66.02 66.35 1twg s SER 36 CO 0.27 -0.32 2.13 0.29 0.98 0.00 0.00 173.24 176.59 1twg n LYS 37 N 5.32 0.42 0.00 4.02 5.02 -1.26 -3.67 118.16 128.02 1twg n LYS 37 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1twg n LYS 37 Cb 0.50 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1twg n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1twg n LEU 38 N 8.20 0.00 0.00 -0.35 7.94 -1.22 -5.00 117.00 126.58 1twg n LEU 38 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 1twg n LEU 38 Cb 0.06 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.01 1twg n LEU 38 CO 0.84 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.88 1twg n SER 39 N 0.00 0.00 -2.56 1.96 2.88 -1.26 -4.05 113.62 110.59 1twg n SER 39 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1twg n SER 39 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1twg n SER 39 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1twg n LEU 40 N 0.00 0.00 0.00 2.46 4.77 -1.26 -5.04 117.00 117.93 1twg n LEU 40 Ca 0.00 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.72 1twg n LEU 40 Cb 0.00 2.22 0.00 0.00 -2.33 0.00 0.00 43.42 43.31 1twg n LEU 40 CO 0.00 -0.42 0.00 -1.54 -1.33 0.00 0.00 177.39 174.10 1twg n SER 41 N -1.17 0.00 -4.56 -1.43 3.41 -1.26 -5.05 113.62 103.57 1twg n SER 41 Ca -0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.24 1twg n SER 41 Cb 0.42 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.26 1twg n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1twg s ARG 42 N 1.35 3.32 -1.65 4.33 3.00 -1.26 -3.82 118.95 124.23 1twg s ARG 42 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 55.73 55.23 1twg s ARG 42 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 34.95 32.13 1twg s ARG 42 CO 0.00 0.44 0.00 2.41 0.00 0.00 0.00 175.30 178.15 1twg n THR 43 N 2.94 -0.03 -0.01 0.02 -1.04 -1.26 -4.93 114.28 109.96 1twg n THR 43 Ca -0.18 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.90 1twg n THR 43 Cb 0.53 -1.52 -0.13 0.00 -1.82 0.00 0.00 70.33 67.39 1twg n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1twg n ASP 44 N -0.82 1.23 0.00 8.00 8.00 -1.25 -5.10 116.55 126.61 1twg n ASP 44 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1twg n ASP 44 Cb 0.52 1.67 0.00 0.00 -0.02 0.00 0.00 41.12 43.29 1twg n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1twg n ALA 45 N -2.12 0.00 -2.35 2.24 0.00 -1.26 -4.84 120.51 112.18 1twg n ALA 45 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1twg n ALA 45 Cb 0.48 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.96 1twg n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1twg n VAL 46 N 0.00 0.02 0.00 0.00 0.31 -1.26 -4.75 118.33 112.66 1twg n VAL 46 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1twg n VAL 46 Cb 0.00 0.77 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 1twg n VAL 46 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1twg n ARG 47 N -0.76 1.75 -0.58 5.55 0.63 -1.26 -4.52 116.66 117.47 1twg n ARG 47 Ca -0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 1twg n ARG 47 Cb 0.80 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.71 1twg n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1twg n LYS 49 N 0.00 0.66 0.00 0.00 4.76 -1.26 -4.96 118.16 117.36 1twg n LYS 49 Ca 0.00 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 1twg n LYS 49 Cb 0.00 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1twg n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1twg n ASP 50 N 1.70 0.00 -4.31 4.39 2.03 -1.26 -5.06 116.55 114.05 1twg n ASP 50 Ca 0.08 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.07 1twg n ASP 50 Cb 0.64 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.88 1twg n ASP 50 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1twg n GLY 52 N 3.49 4.36 3.65 0.00 0.00 -1.26 -4.31 105.19 111.11 1twg n GLY 52 Ca -0.18 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1twg n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1twg s HIS 53 N -1.50 3.34 -0.51 1.61 3.76 -1.26 -4.80 115.29 115.93 1twg s HIS 53 Ca 0.59 0.61 0.03 0.00 -0.15 0.00 0.00 55.06 56.14 1twg s HIS 53 Cb 0.36 -2.58 0.21 0.00 1.11 0.00 0.00 32.58 31.68 1twg s HIS 53 CO -0.20 -0.10 1.02 -2.13 -0.85 0.00 0.00 174.74 172.49 1twg n ARG 54 N 4.80 1.77 -4.56 1.40 0.63 -1.26 -4.39 116.66 115.05 1twg n ARG 54 Ca -0.07 -0.86 -0.29 0.00 -0.92 0.00 0.00 57.85 55.72 1twg n ARG 54 Cb 0.51 -1.55 -0.17 0.00 0.45 0.00 0.00 32.46 31.70 1twg n ARG 54 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1twg s ILE 55 N -1.24 1.54 -0.05 5.15 -1.09 -1.26 -4.83 121.20 119.41 1twg s ILE 55 Ca 0.15 -0.68 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1twg s ILE 55 Cb 0.12 -1.39 0.02 0.00 -1.58 0.00 0.00 42.46 39.63 1twg s ILE 55 CO 0.04 0.45 -0.05 -0.76 -1.23 0.00 0.00 174.94 173.39 1twg s LEU 56 N 0.87 1.24 -0.55 2.97 1.43 -1.26 -1.63 118.68 121.75 1twg s LEU 56 Ca -0.09 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.63 1twg s LEU 56 Cb -0.15 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.61 1twg s LEU 56 CO 0.00 -0.07 0.92 -0.76 0.23 0.00 0.00 176.35 176.67 1twg s LEU 57 N 1.09 4.15 0.37 1.79 1.43 0.45 -4.86 118.68 123.11 1twg s LEU 57 Ca -0.08 -0.38 0.34 0.00 -1.03 0.00 0.00 54.13 52.98 1twg s LEU 57 Cb -0.14 -2.81 1.17 0.00 0.03 0.00 0.00 46.19 44.44 1twg s LEU 57 CO -0.01 -1.21 1.06 1.17 0.23 0.00 0.00 176.35 177.59 1twg n LYS 58 N 7.38 -0.00 -0.07 1.70 4.81 -1.26 -2.15 118.16 128.58 1twg n LYS 58 Ca 0.01 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1twg n LYS 58 Cb 0.47 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.83 1twg n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1twg n ALA 59 N -2.62 -2.87 -1.85 3.14 0.00 -1.26 -4.56 120.51 110.48 1twg n ALA 59 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.40 1twg n ALA 59 Cb 1.36 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.27 1twg n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1twg s ARG 60 N -3.90 4.34 0.79 0.00 3.52 -1.26 -4.97 118.95 117.47 1twg s ARG 60 Ca 0.00 1.14 -0.11 0.00 -0.13 0.00 0.00 55.73 56.63 1twg s ARG 60 Cb 0.00 -2.47 0.06 0.00 -1.56 0.00 0.00 34.95 30.98 1twg s ARG 60 CO 0.00 0.13 1.09 0.95 -0.81 0.00 0.00 175.30 176.66 1twg s THR 61 N -1.91 3.26 -0.20 4.11 -4.23 -1.26 -4.92 115.64 110.48 1twg s THR 61 Ca 0.56 0.41 0.19 0.00 -1.18 0.00 0.00 61.69 61.67 1twg s THR 61 Cb -0.13 -2.91 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1twg s THR 61 CO 0.18 -0.53 1.08 0.11 -0.54 0.00 0.00 174.62 174.91 1twg h LYS 62 N -1.17 0.00 -6.62 3.99 6.56 -2.03 -3.47 116.57 113.82 1twg h LYS 62 Ca -0.44 0.00 -0.59 0.00 -1.06 0.00 0.00 60.65 58.56 1twg h LYS 62 Cb 1.24 0.00 0.11 0.00 -0.57 0.00 0.00 32.23 33.01 1twg h LYS 62 CO 0.52 0.18 0.35 2.89 -2.06 0.00 0.00 179.45 181.33 1twg n ARG 63 N -2.88 1.79 -4.09 3.15 1.85 -1.26 -4.86 116.66 110.36 1twg n ARG 63 Ca -0.03 0.63 -0.34 0.00 -1.00 0.00 0.00 57.85 57.11 1twg n ARG 63 Cb 0.68 -2.12 -0.07 0.00 -1.05 0.00 0.00 32.46 29.90 1twg n ARG 63 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1twg s LEU 64 N -0.34 3.96 -0.03 2.89 0.20 -1.26 -5.04 118.68 119.06 1twg s LEU 64 Ca 0.58 0.20 0.05 0.00 0.69 0.00 0.00 54.13 55.65 1twg s LEU 64 Cb -0.63 -2.25 -0.01 0.00 -0.43 0.00 0.00 46.19 42.87 1twg s LEU 64 CO 0.61 0.29 -0.19 -0.69 -0.29 0.00 0.00 176.35 176.08 1twg s VAL 65 N -1.16 1.52 0.26 1.68 1.01 -1.26 -5.09 120.40 117.35 1twg s VAL 65 Ca 0.22 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1twg s VAL 65 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1twg s VAL 65 CO 0.12 0.43 0.12 -1.58 0.00 0.00 0.00 175.10 174.20 1twg s GLN 66 N -0.26 2.70 -0.03 2.72 0.74 -1.26 -5.13 119.66 119.13 1twg s GLN 66 Ca 0.03 -1.19 -0.05 0.00 0.05 0.00 0.00 55.36 54.20 1twg s GLN 66 Cb -0.09 -2.42 0.01 0.00 1.10 0.00 0.00 33.01 31.61 1twg s GLN 66 CO 0.01 0.39 0.12 -0.06 -0.55 0.00 0.00 175.29 175.19 1twg s PHE 67 N -2.20 -0.09 -0.89 1.67 0.40 -1.26 -5.04 117.98 110.57 1twg s PHE 67 Ca 0.32 0.21 0.24 0.00 -0.60 0.00 0.00 56.93 57.11 1twg s PHE 67 Cb -0.07 0.02 0.40 0.00 0.51 0.00 0.00 43.02 43.87 1twg s PHE 67 CO 0.23 -0.11 1.33 0.39 0.70 0.00 0.00 175.22 177.77 1twg n GLU 68 N 2.69 0.09 -2.98 0.44 4.71 -1.26 -4.93 120.64 119.40 1twg n GLU 68 Ca -0.15 0.02 -0.21 0.00 -0.01 0.00 0.00 57.16 56.81 1twg n GLU 68 Cb 0.58 -1.54 0.03 0.00 -1.01 0.00 0.00 31.44 29.50 1twg n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1twg n ALA 69 N -1.60 -0.91 -0.02 0.62 0.00 -1.26 -5.39 120.51 111.95 1twg n ALA 69 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1twg n ALA 69 Cb 0.37 -3.72 0.00 0.00 0.00 0.00 0.00 19.45 16.09 1twg n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04