#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hox n THR 26 N 0.00 -0.62 0.00 0.00 -1.04 -1.26 -5.12 114.28 106.24 3hox n THR 26 Ca 0.00 0.63 0.00 0.00 -2.04 0.00 0.00 64.05 62.64 3hox n THR 26 Cb 0.00 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 3hox n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hox n LEU 27 N -3.57 0.00 0.00 -4.42 -0.00 -1.26 -5.10 117.00 102.65 3hox n LEU 27 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 3hox n LEU 27 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3hox n LEU 27 CO 0.03 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.59 3hox n LYS 28 N 0.00 0.00 -3.44 1.47 4.81 -1.26 -5.00 118.16 114.74 3hox n LYS 28 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 3hox n LYS 28 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 3hox n LYS 28 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hox n TYR 29 N -2.09 -0.15 -3.97 5.64 0.53 -1.26 -3.94 117.16 111.91 3hox n TYR 29 Ca 0.00 -1.68 -0.10 0.00 -1.02 0.00 0.00 57.90 55.09 3hox n TYR 29 Cb 0.00 -0.28 -0.03 0.00 -1.03 0.00 0.00 39.34 38.00 3hox n TYR 29 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3hox s ILE 30 N -2.06 0.00 -0.15 -0.72 1.01 -0.07 -2.24 121.20 116.97 3hox s ILE 30 Ca 0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 60.65 59.41 3hox s ILE 30 Cb -0.01 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3hox s ILE 30 CO 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 174.94 174.95 3hox h ALA 32 N 6.76 0.04 -1.08 0.00 0.00 -1.93 -3.05 119.26 120.00 3hox h ALA 32 Ca -0.29 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hox h ALA 32 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3hox h ALA 32 CO 0.60 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 179.67 3hox n GLU 33 N -5.32 0.00 -1.81 0.00 4.71 -1.26 -4.50 120.64 112.46 3hox n GLU 33 Ca -0.00 0.27 -0.42 0.00 -0.01 0.00 0.00 57.16 56.99 3hox n GLU 33 Cb 0.24 -0.74 -0.00 0.00 -1.01 0.00 0.00 31.44 29.93 3hox n GLU 33 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hox n SER 35 N 6.35 0.57 -3.26 0.00 3.41 -1.15 -4.37 113.62 115.16 3hox n SER 35 Ca 0.52 0.19 -0.05 0.00 -0.26 0.00 0.00 58.87 59.26 3hox n SER 35 Cb 0.40 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 63.32 3hox n SER 35 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hox s SER 36 N 8.88 -0.25 -0.64 4.04 1.04 -1.26 -4.91 113.70 120.60 3hox s SER 36 Ca 1.30 -0.05 -0.26 0.00 0.48 0.00 0.00 55.95 57.42 3hox s SER 36 Cb -1.18 1.41 -0.16 0.00 0.10 0.00 0.00 66.02 66.19 3hox s SER 36 CO 0.49 -0.33 1.89 0.29 0.98 0.00 0.00 173.24 176.57 3hox n LYS 37 N 5.38 0.00 0.00 4.02 5.02 -1.26 -4.28 118.16 127.03 3hox n LYS 37 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3hox n LYS 37 Cb 0.51 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 3hox n LYS 37 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hox n LEU 38 N 7.19 0.00 0.00 -0.35 7.94 -0.95 -4.98 117.00 125.85 3hox n LEU 38 Ca 0.47 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.37 3hox n LEU 38 Cb 0.01 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.96 3hox n LEU 38 CO 0.69 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.73 3hox n SER 39 N 0.00 -0.01 -3.62 1.96 2.88 -1.26 -4.54 113.62 109.03 3hox n SER 39 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hox n SER 39 Cb 0.00 0.04 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 3hox n SER 39 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hox s LEU 40 N -0.12 -0.08 0.00 2.46 1.43 -1.26 -5.00 118.68 116.10 3hox s LEU 40 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3hox s LEU 40 Cb 0.00 1.45 0.00 0.00 0.03 0.00 0.00 46.19 47.67 3hox s LEU 40 CO 0.00 -0.34 0.00 -1.20 0.23 0.00 0.00 176.35 175.04 3hox n SER 41 N -0.41 0.20 -4.68 2.29 7.64 -1.26 -5.01 113.62 112.38 3hox n SER 41 Ca -0.07 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.36 3hox n SER 41 Cb 0.62 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 3hox n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hox n ARG 42 N 0.00 2.32 -3.79 1.43 1.74 -1.26 -3.20 116.66 113.90 3hox n ARG 42 Ca 0.00 0.84 -0.26 0.00 -0.77 0.00 0.00 57.85 57.66 3hox n ARG 42 Cb 0.00 -2.64 0.01 0.00 -1.02 0.00 0.00 32.46 28.81 3hox n ARG 42 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hox n THR 43 N 3.84 -4.40 -1.37 0.55 -1.04 -1.26 -4.89 114.28 105.71 3hox n THR 43 Ca 0.18 -0.65 0.08 0.00 -2.04 0.00 0.00 64.05 61.61 3hox n THR 43 Cb 0.31 -3.54 0.16 0.00 -1.82 0.00 0.00 70.33 65.44 3hox n THR 43 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hox n ASP 44 N -2.92 1.96 -1.11 8.00 8.00 -1.20 -5.08 116.55 124.20 3hox n ASP 44 Ca -0.24 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 51.87 3hox n ASP 44 Cb 0.66 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3hox n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hox n ALA 45 N -1.20 -1.55 -1.83 2.24 0.00 -1.26 -4.76 120.51 112.15 3hox n ALA 45 Ca 0.17 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.61 3hox n ALA 45 Cb 0.68 -1.18 0.04 0.00 0.00 0.00 0.00 19.45 18.99 3hox n ALA 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hox n VAL 46 N -2.12 3.25 -4.39 0.00 0.31 -1.26 -4.98 118.33 109.14 3hox n VAL 46 Ca 0.00 -3.93 -0.26 0.00 -0.01 0.00 0.00 64.34 60.14 3hox n VAL 46 Cb 0.30 -1.20 -0.09 0.00 -0.91 0.00 0.00 33.84 31.93 3hox n VAL 46 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hox s ARG 47 N -3.84 2.08 0.29 5.55 0.52 -1.26 -4.56 118.95 117.73 3hox s ARG 47 Ca 0.56 -1.98 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 3hox s ARG 47 Cb 0.45 -1.80 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 3hox s ARG 47 CO -0.17 -0.08 0.55 0.00 0.02 0.00 0.00 175.30 175.62 3hox n LYS 49 N -0.95 3.20 0.00 0.00 4.76 -1.26 -4.21 118.16 119.69 3hox n LYS 49 Ca -0.02 -3.06 0.00 0.00 -2.87 0.00 0.00 58.31 52.36 3hox n LYS 49 Cb 0.54 -3.15 0.00 0.00 -1.84 0.00 0.00 35.03 30.58 3hox n LYS 49 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3hox n ASP 50 N 5.37 0.00 -4.67 4.39 -0.08 -1.26 -5.10 116.55 115.20 3hox n ASP 50 Ca 0.46 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.32 3hox n ASP 50 Cb 0.39 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.82 3hox n ASP 50 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hox h GLY 52 N 8.75 -0.34 0.00 0.00 0.00 -1.98 -3.05 103.07 106.45 3hox h GLY 52 Ca -0.26 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hox h GLY 52 CO 0.92 -0.21 0.00 1.42 0.00 0.00 0.00 176.54 178.67 3hox n HIS 53 N -5.38 0.00 0.00 5.60 8.25 -1.26 -3.73 115.22 118.71 3hox n HIS 53 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3hox n HIS 53 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3hox n HIS 53 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hox n ARG 54 N 0.00 0.00 0.00 -0.41 3.00 -1.26 -4.48 116.66 113.51 3hox n ARG 54 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hox n ARG 54 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.48 3hox n ARG 54 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3hox n ILE 55 N 0.53 0.00 -0.46 0.55 -0.00 -1.26 -4.87 119.36 113.84 3hox n ILE 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 3hox n ILE 55 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 39.64 39.34 3hox n ILE 55 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3hox n LEU 56 N 0.00 -0.97 -4.99 7.28 4.77 -1.24 -5.00 117.00 116.85 3hox n LEU 56 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 3hox n LEU 56 Cb 0.00 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3hox n LEU 56 CO 0.00 0.00 0.21 -0.76 -1.33 0.00 0.00 177.39 175.51 3hox s LEU 57 N 0.00 3.60 -0.07 2.23 1.43 -0.57 -4.84 118.68 120.45 3hox s LEU 57 Ca 0.00 -0.19 0.16 0.00 -1.03 0.00 0.00 54.13 53.07 3hox s LEU 57 Cb 0.00 -2.79 0.55 0.00 0.03 0.00 0.00 46.19 43.98 3hox s LEU 57 CO 0.00 -0.81 1.46 1.17 0.23 0.00 0.00 176.35 178.40 3hox n LYS 58 N -1.98 3.19 -1.23 1.70 4.81 -1.26 -0.89 118.16 122.50 3hox n LYS 58 Ca 0.06 -2.59 0.00 0.00 -0.87 0.00 0.00 58.31 54.91 3hox n LYS 58 Cb 0.59 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 34.00 3hox n LYS 58 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hox n ALA 59 N 0.73 -1.14 -0.93 3.14 0.00 -1.25 -4.65 120.51 116.41 3hox n ALA 59 Ca 0.20 0.07 -0.00 0.00 0.00 0.00 0.00 53.44 53.71 3hox n ALA 59 Cb 0.71 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.52 3hox n ALA 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3hox n ARG 60 N -0.58 1.69 -4.19 0.00 0.63 -1.26 -5.00 116.66 107.96 3hox n ARG 60 Ca 0.00 -0.03 -0.27 0.00 -0.92 0.00 0.00 57.85 56.63 3hox n ARG 60 Cb 0.00 -0.27 -0.08 0.00 0.45 0.00 0.00 32.46 32.56 3hox n ARG 60 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hox s THR 61 N -0.57 3.80 0.18 5.15 2.01 -1.26 -4.99 115.64 119.96 3hox s THR 61 Ca 0.01 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.73 3hox s THR 61 Cb -0.00 -2.89 -0.13 0.00 0.01 0.00 0.00 72.50 69.49 3hox s THR 61 CO 0.01 -0.07 1.42 0.11 -0.69 0.00 0.00 174.62 175.40 3hox h LYS 62 N 2.80 0.10 -6.50 4.92 1.57 -2.02 -3.44 116.57 114.00 3hox h LYS 62 Ca -0.47 -0.11 -0.61 0.00 -1.87 0.00 0.00 60.65 57.59 3hox h LYS 62 Cb 1.20 0.03 0.09 0.00 0.08 0.00 0.00 32.23 33.62 3hox h LYS 62 CO 0.58 0.87 0.42 0.54 -0.57 0.00 0.00 179.45 181.29 3hox n ARG 63 N -3.63 1.65 -2.92 3.15 1.74 -1.26 -4.90 116.66 110.48 3hox n ARG 63 Ca -0.02 0.59 -0.40 0.00 -0.77 0.00 0.00 57.85 57.24 3hox n ARG 63 Cb 0.78 -2.14 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 3hox n ARG 63 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hox s LEU 64 N 0.26 4.39 -0.07 0.55 1.43 -1.26 -5.05 118.68 118.92 3hox s LEU 64 Ca 0.67 1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 55.17 3hox s LEU 64 Cb -0.72 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 3hox s LEU 64 CO 0.53 -0.10 0.09 0.68 0.23 0.00 0.00 176.35 177.77 3hox s VAL 65 N 0.50 4.96 0.15 -1.59 -7.23 -1.26 -5.11 120.40 110.82 3hox s VAL 65 Ca 0.42 -0.10 0.09 0.00 -1.81 0.00 0.00 61.98 60.58 3hox s VAL 65 Cb -0.20 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 3hox s VAL 65 CO 0.23 0.53 -0.17 -1.58 -0.31 0.00 0.00 175.10 173.80 3hox s GLN 66 N -1.23 1.81 0.03 4.82 0.74 -1.26 -5.14 119.66 119.44 3hox s GLN 66 Ca 0.17 -1.28 0.03 0.00 0.05 0.00 0.00 55.36 54.34 3hox s GLN 66 Cb -0.12 -2.07 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 3hox s GLN 66 CO 0.07 0.45 -0.10 -0.06 -0.55 0.00 0.00 175.29 175.10 3hox s PHE 67 N -1.41 0.91 0.57 1.67 0.40 -1.26 -5.12 117.98 113.74 3hox s PHE 67 Ca 0.20 -0.36 -0.19 0.00 -0.60 0.00 0.00 56.93 55.98 3hox s PHE 67 Cb -0.10 -0.54 -0.05 0.00 0.51 0.00 0.00 43.02 42.85 3hox s PHE 67 CO 0.11 -0.01 1.18 -1.21 0.70 0.00 0.00 175.22 176.00 3hox s GLU 68 N -1.14 3.15 -0.31 0.44 8.01 -1.26 -4.95 118.70 122.65 3hox s GLU 68 Ca -0.02 1.77 0.09 0.00 0.01 0.00 0.00 54.97 56.82 3hox s GLU 68 Cb -0.08 -1.99 0.57 0.00 -4.31 0.00 0.00 34.13 28.32 3hox s GLU 68 CO 0.01 -1.05 1.59 0.00 0.01 0.00 0.00 175.26 175.81 3hox n ALA 69 N -1.41 4.35 0.69 5.21 0.00 -1.26 -5.34 120.51 122.75 3hox n ALA 69 Ca 0.13 -2.85 0.08 0.00 0.00 0.00 0.00 53.44 50.80 3hox n ALA 69 Cb 0.50 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 19.09 3hox n ALA 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04