#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1twh n THR 26 N 0.00 0.00 0.00 0.00 -1.04 -1.26 -5.15 114.28 106.83 1twh n THR 26 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1twh n THR 26 Cb 0.00 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1twh n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1twh n LEU 27 N 0.00 0.00 0.00 -4.42 -0.00 -1.26 -5.14 117.00 106.18 1twh n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1twh n LEU 27 Cb 0.12 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.62 1twh n LEU 27 CO 0.00 -0.39 0.00 1.17 -0.00 0.00 0.00 177.39 178.17 1twh n LYS 28 N -2.29 0.00 -4.01 1.47 4.81 -1.26 -4.67 118.16 112.21 1twh n LYS 28 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1twh n LYS 28 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1twh n LYS 28 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1twh s TYR 29 N 0.00 2.64 0.05 5.64 1.51 -1.26 -4.40 117.35 121.53 1twh s TYR 29 Ca 0.00 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1twh s TYR 29 Cb 0.00 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1twh s TYR 29 CO 0.00 0.14 0.01 0.42 -1.11 0.00 0.00 175.55 175.02 1twh s ILE 30 N -2.55 0.19 -0.29 2.71 1.01 -0.93 -3.63 121.20 117.71 1twh s ILE 30 Ca 0.42 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.36 1twh s ILE 30 Cb 0.02 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 1twh s ILE 30 CO 0.24 -0.86 0.39 0.00 0.00 0.00 0.00 174.94 174.70 1twh n ALA 32 N 5.38 -0.46 -0.57 0.00 0.00 0.11 -3.02 120.51 121.95 1twh n ALA 32 Ca -0.08 0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1twh n ALA 32 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1twh n ALA 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1twh n GLU 33 N -4.64 0.00 0.00 0.00 -0.58 -1.26 -4.71 120.64 109.44 1twh n GLU 33 Ca 0.01 0.22 0.16 0.00 -0.42 0.00 0.00 57.16 57.13 1twh n GLU 33 Cb 0.19 -1.13 0.87 0.00 -0.57 0.00 0.00 31.44 30.79 1twh n GLU 33 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1twh n SER 35 N -0.84 -0.98 -3.56 0.00 2.88 -1.17 -4.96 113.62 105.00 1twh n SER 35 Ca 0.23 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 1twh n SER 35 Cb 0.16 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 1twh n SER 35 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1twh s SER 36 N -2.73 0.21 -0.30 -3.46 1.04 -1.26 -4.88 113.70 102.32 1twh s SER 36 Ca 0.00 0.56 -0.37 0.00 0.48 0.00 0.00 55.95 56.62 1twh s SER 36 Cb 0.00 1.01 -0.13 0.00 0.10 0.00 0.00 66.02 67.00 1twh s SER 36 CO 0.00 -0.26 2.02 0.29 0.98 0.00 0.00 173.24 176.27 1twh n LYS 37 N 5.37 1.22 0.00 4.02 5.02 -1.26 -3.87 118.16 128.66 1twh n LYS 37 Ca -0.06 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1twh n LYS 37 Cb 0.50 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.15 1twh n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1twh n LEU 38 N 8.05 0.00 0.00 -0.35 7.94 -1.24 -5.00 117.00 126.40 1twh n LEU 38 Ca 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1twh n LEU 38 Cb 0.20 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.15 1twh n LEU 38 CO 0.77 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.81 1twh n SER 39 N 0.00 0.00 -0.86 1.96 2.88 -1.26 -4.30 113.62 112.05 1twh n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1twh n SER 39 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1twh n SER 39 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1twh n LEU 40 N 0.00 0.00 0.00 2.46 4.77 -1.26 -5.01 117.00 117.96 1twh n LEU 40 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1twh n LEU 40 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1twh n LEU 40 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1twh n SER 41 N -1.28 0.00 -4.65 -1.43 3.41 -1.26 -5.01 113.62 103.39 1twh n SER 41 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 1twh n SER 41 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1twh n SER 41 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1twh s ARG 42 N 2.11 3.01 0.00 4.33 3.00 -1.26 -3.33 118.95 126.80 1twh s ARG 42 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 55.73 55.29 1twh s ARG 42 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 34.95 32.17 1twh s ARG 42 CO 0.00 0.65 0.00 2.41 0.00 0.00 0.00 175.30 178.36 1twh n THR 43 N 2.28 0.00 -0.01 0.02 -1.04 -1.26 -4.89 114.28 109.38 1twh n THR 43 Ca -0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.91 1twh n THR 43 Cb 0.53 -0.84 -0.16 0.00 -1.82 0.00 0.00 70.33 68.05 1twh n THR 43 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1twh n ASP 44 N -0.54 0.07 0.00 8.00 -0.08 -1.21 -5.12 116.55 117.67 1twh n ASP 44 Ca 0.00 0.03 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1twh n ASP 44 Cb 0.38 1.74 0.00 0.00 2.34 0.00 0.00 41.12 45.59 1twh n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1twh n ALA 45 N -2.32 0.00 -2.29 -1.67 0.00 -1.25 -4.91 120.51 108.07 1twh n ALA 45 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1twh n ALA 45 Cb 0.65 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.13 1twh n ALA 45 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1twh n VAL 46 N 0.00 0.00 0.00 0.00 0.24 -1.26 -4.78 118.33 112.53 1twh n VAL 46 Ca 0.00 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1twh n VAL 46 Cb 0.00 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1twh n VAL 46 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1twh n ARG 47 N -0.57 0.00 0.00 7.34 0.63 -1.26 -4.50 116.66 118.30 1twh n ARG 47 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1twh n ARG 47 Cb 0.65 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.56 1twh n ARG 47 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1twh n LYS 49 N 0.00 0.25 0.00 0.00 4.76 -1.26 -4.97 118.16 116.94 1twh n LYS 49 Ca 0.00 -0.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.55 1twh n LYS 49 Cb 0.00 -0.46 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 1twh n LYS 49 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1twh n ASP 50 N 1.52 0.00 -3.84 4.39 9.92 -1.26 -5.07 116.55 122.21 1twh n ASP 50 Ca 0.03 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.10 1twh n ASP 50 Cb 0.69 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 41.01 1twh n ASP 50 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1twh n GLY 52 N 4.25 2.68 3.64 0.00 0.00 -1.26 -4.34 105.19 110.16 1twh n GLY 52 Ca -0.23 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 1twh n GLY 52 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1twh s HIS 53 N -0.64 3.33 -0.60 1.61 3.76 -1.26 -4.69 115.29 116.79 1twh s HIS 53 Ca 0.11 0.88 0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1twh s HIS 53 Cb 0.09 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.96 1twh s HIS 53 CO 0.01 -0.25 0.35 -2.13 -0.85 0.00 0.00 174.74 171.87 1twh n ARG 54 N 5.39 0.49 -4.04 1.40 0.63 -1.26 -4.50 116.66 114.77 1twh n ARG 54 Ca -0.01 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.61 1twh n ARG 54 Cb 0.49 -1.25 -0.16 0.00 0.45 0.00 0.00 32.46 31.99 1twh n ARG 54 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1twh s ILE 55 N -0.40 1.77 0.03 5.15 -1.09 -1.26 -4.85 121.20 120.55 1twh s ILE 55 Ca 0.00 -0.92 0.06 0.00 -2.23 0.00 0.00 60.65 57.57 1twh s ILE 55 Cb 0.00 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 39.14 1twh s ILE 55 CO 0.00 0.35 -0.19 -0.76 -1.23 0.00 0.00 174.94 173.11 1twh s LEU 56 N 1.37 2.15 -0.42 2.97 1.43 -1.26 0.04 118.68 124.96 1twh s LEU 56 Ca 0.02 -0.48 -0.10 0.00 -1.03 0.00 0.00 54.13 52.54 1twh s LEU 56 Cb -0.15 -0.89 0.07 0.00 0.03 0.00 0.00 46.19 45.26 1twh s LEU 56 CO -0.10 0.14 0.27 -0.76 0.23 0.00 0.00 176.35 176.13 1twh s LEU 57 N -1.04 5.17 0.29 1.79 1.43 0.25 -4.84 118.68 121.73 1twh s LEU 57 Ca 0.06 -1.44 0.09 0.00 -1.03 0.00 0.00 54.13 51.81 1twh s LEU 57 Cb -0.08 -2.01 0.29 0.00 0.03 0.00 0.00 46.19 44.42 1twh s LEU 57 CO 0.01 -0.54 0.56 0.29 0.23 0.00 0.00 176.35 176.91 1twh n LYS 58 N 4.96 0.01 -0.73 1.70 5.02 -1.26 -2.19 118.16 125.66 1twh n LYS 58 Ca -0.10 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1twh n LYS 58 Cb 0.43 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1twh n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1twh n ALA 59 N -1.49 -2.29 -2.39 7.82 0.00 -1.26 -4.65 120.51 116.25 1twh n ALA 59 Ca 0.08 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 1twh n ALA 59 Cb 0.64 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 19.15 1twh n ALA 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1twh s ARG 60 N -3.88 3.87 0.82 0.00 3.52 -1.26 -4.96 118.95 117.06 1twh s ARG 60 Ca 0.00 0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.85 1twh s ARG 60 Cb 0.00 -2.74 0.09 0.00 -1.56 0.00 0.00 34.95 30.74 1twh s ARG 60 CO 0.00 0.37 1.14 0.95 -0.81 0.00 0.00 175.30 176.95 1twh s THR 61 N -1.70 2.54 -0.42 4.11 -4.23 -1.26 -4.87 115.64 109.82 1twh s THR 61 Ca 0.44 0.20 0.23 0.00 -1.18 0.00 0.00 61.69 61.38 1twh s THR 61 Cb -0.12 -2.49 0.23 0.00 1.34 0.00 0.00 72.50 71.45 1twh s THR 61 CO 0.20 -0.21 1.46 0.11 -0.54 0.00 0.00 174.62 175.64 1twh h LYS 62 N -1.22 0.00 -6.84 3.99 1.57 -2.03 -3.48 116.57 108.56 1twh h LYS 62 Ca -0.44 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.77 1twh h LYS 62 Cb 1.26 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.72 1twh h LYS 62 CO 0.47 0.00 0.25 2.89 -0.57 0.00 0.00 179.45 182.49 1twh n ARG 63 N -2.87 1.21 -4.03 3.15 1.85 -1.26 -4.85 116.66 109.87 1twh n ARG 63 Ca 0.03 0.45 -0.25 0.00 -1.00 0.00 0.00 57.85 57.08 1twh n ARG 63 Cb 0.52 -2.24 -0.04 0.00 -1.05 0.00 0.00 32.46 29.65 1twh n ARG 63 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1twh s LEU 64 N -2.01 4.06 -0.02 2.89 1.98 -1.26 -5.03 118.68 119.28 1twh s LEU 64 Ca 0.72 -0.02 0.03 0.00 -2.89 0.00 0.00 54.13 51.96 1twh s LEU 64 Cb -0.45 -2.63 0.00 0.00 0.66 0.00 0.00 46.19 43.77 1twh s LEU 64 CO 0.50 0.03 -0.10 0.68 -1.89 0.00 0.00 176.35 175.56 1twh s VAL 65 N -1.84 0.87 0.27 1.68 -7.23 -1.26 -5.11 120.40 107.77 1twh s VAL 65 Ca 0.33 -0.42 0.11 0.00 -1.81 0.00 0.00 61.98 60.19 1twh s VAL 65 Cb -0.10 -0.76 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1twh s VAL 65 CO 0.26 0.26 -0.18 -1.58 -0.31 0.00 0.00 175.10 173.55 1twh s GLN 66 N 0.10 1.61 0.00 4.82 0.74 -1.26 -5.13 119.66 120.54 1twh s GLN 66 Ca -0.02 -1.74 -0.12 0.00 0.05 0.00 0.00 55.36 53.53 1twh s GLN 66 Cb -0.08 -1.62 0.02 0.00 1.10 0.00 0.00 33.01 32.43 1twh s GLN 66 CO 0.00 0.28 0.25 -0.06 -0.55 0.00 0.00 175.29 175.22 1twh s PHE 67 N -2.62 -0.09 -0.47 1.67 0.40 -1.26 -5.06 117.98 110.55 1twh s PHE 67 Ca 0.28 0.08 0.22 0.00 -0.60 0.00 0.00 56.93 56.92 1twh s PHE 67 Cb -0.04 0.05 -0.09 0.00 0.51 0.00 0.00 43.02 43.45 1twh s PHE 67 CO 0.13 -0.38 0.87 0.39 0.70 0.00 0.00 175.22 176.94 1twh n GLU 68 N 1.20 0.39 -3.58 0.44 4.71 -1.26 -4.92 120.64 117.62 1twh n GLU 68 Ca -0.21 -0.04 -0.24 0.00 -0.01 0.00 0.00 57.16 56.66 1twh n GLU 68 Cb 0.56 -1.59 0.08 0.00 -1.01 0.00 0.00 31.44 29.48 1twh n GLU 68 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1twh n ALA 69 N -1.94 -1.30 -0.01 0.62 0.00 -1.26 -5.39 120.51 111.23 1twh n ALA 69 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1twh n ALA 69 Cb 0.47 -5.47 0.00 0.00 0.00 0.00 0.00 19.45 14.45 1twh n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04