#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uua n PHE 2 N 0.00 0.00 0.00 1.24 1.16 -1.26 -4.88 117.46 113.72 1uua n PHE 2 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1uua n PHE 2 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uua n LEU 4 N 0.00 0.00 -4.90 0.00 4.77 -1.26 -0.34 117.00 115.27 1uua n LEU 4 Ca 0.00 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 1uua n LEU 4 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1uua n LEU 4 CO 0.00 -0.01 0.06 -1.61 -1.33 0.00 0.00 177.39 174.50 1uua s GLU 5 N -2.49 3.61 1.05 3.23 2.02 -1.26 -4.85 118.70 120.01 1uua s GLU 5 Ca 0.30 -0.11 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 1uua s GLU 5 Cb 0.20 -2.81 0.22 0.00 0.10 0.00 0.00 34.13 31.84 1uua s GLU 5 CO 0.44 0.42 1.07 -1.25 0.02 0.00 0.00 175.26 175.96 1uua s PRO 6 N -2.89 0.01 0.19 0.39 0.04 -1.26 -4.81 135.00 126.66 1uua s PRO 6 Ca 0.41 0.62 -0.33 0.00 0.04 0.00 0.00 61.00 61.74 1uua s PRO 6 Cb -0.12 -1.68 -0.13 0.00 0.04 0.00 0.00 34.50 32.61 1uua s PRO 6 CO 0.26 -3.04 1.66 -0.35 0.04 0.00 0.00 177.00 175.57 1uua n PRO 7 N -4.41 2.49 0.04 0.56 -0.04 -1.26 -4.93 135.00 127.46 1uua n PRO 7 Ca 0.05 0.90 0.11 0.00 -0.04 0.00 0.00 63.50 64.52 1uua n PRO 7 Cb 0.56 -2.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.23 1uua n PRO 7 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1uua n TYR 8 N 3.71 0.46 0.00 0.54 9.36 -1.26 -4.79 117.16 125.18 1uua n TYR 8 Ca 0.16 0.13 0.00 0.00 3.32 0.00 0.00 57.90 61.52 1uua n TYR 8 Cb 0.32 -0.71 0.00 0.00 -0.63 0.00 0.00 39.34 38.32 1uua n TYR 8 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1uua n THR 9 N -2.44 0.00 0.00 2.97 -1.04 -1.26 -4.87 114.28 107.64 1uua n THR 9 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1uua n THR 9 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1uua n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uua n GLY 10 N -0.21 0.63 0.15 3.41 0.00 -1.26 -4.73 105.19 103.18 1uua n GLY 10 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1uua n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uua n PRO 11 N 0.00 0.94 -0.08 1.61 -0.02 -1.26 -3.85 135.00 132.33 1uua n PRO 11 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1uua n PRO 11 Cb 0.00 -1.14 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uua n LYS 13 N -4.53 -3.27 0.00 0.00 4.76 -1.25 -5.06 118.16 108.81 1uua n LYS 13 Ca -0.12 2.65 0.00 0.00 -2.87 0.00 0.00 58.31 57.97 1uua n LYS 13 Cb 0.41 -4.83 0.00 0.00 -1.84 0.00 0.00 35.03 28.76 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uua n ALA 14 N 0.91 0.00 -2.20 7.82 0.00 -1.26 -5.02 120.51 120.76 1uua n ALA 14 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.28 1uua n ALA 14 Cb 0.13 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.63 1uua n ALA 14 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1uua n ARG 15 N 0.00 2.55 -3.72 0.00 1.85 -1.26 -4.92 116.66 111.15 1uua n ARG 15 Ca 0.00 -3.70 -0.30 0.00 -1.00 0.00 0.00 57.85 52.85 1uua n ARG 15 Cb 0.00 -1.83 -0.13 0.00 -1.05 0.00 0.00 32.46 29.44 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1uua s ILE 16 N -3.84 1.32 0.55 8.89 1.01 -1.26 -5.05 121.20 122.82 1uua s ILE 16 Ca 0.42 -2.35 -0.17 0.00 0.00 0.00 0.00 60.65 58.55 1uua s ILE 16 Cb 0.38 -1.94 -0.06 0.00 0.01 0.00 0.00 42.46 40.85 1uua s ILE 16 CO -0.01 -0.85 1.03 -0.63 0.00 0.00 0.00 174.94 174.47 1uua s ILE 17 N 0.58 4.06 0.37 2.92 1.09 -1.25 -0.26 121.20 128.71 1uua s ILE 17 Ca 0.16 1.03 -0.09 0.00 -1.10 0.00 0.00 60.65 60.65 1uua s ILE 17 Cb -0.23 -3.51 0.04 0.00 -1.06 0.00 0.00 42.46 37.70 1uua s ILE 17 CO -0.03 -0.53 0.64 0.54 -0.10 0.00 0.00 174.94 175.46 1uua n ARG 18 N -1.70 0.92 -4.26 2.79 1.74 1.12 -4.86 116.66 112.41 1uua n ARG 18 Ca 0.08 -2.45 -0.25 0.00 -0.77 0.00 0.00 57.85 54.46 1uua n ARG 18 Cb 0.53 2.69 -0.08 0.00 -1.02 0.00 0.00 32.46 34.59 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1uua s TYR 19 N -2.62 2.74 0.24 -1.55 1.51 0.43 0.17 117.35 118.27 1uua s TYR 19 Ca 0.22 -0.19 -0.20 0.00 -1.01 0.00 0.00 57.07 55.88 1uua s TYR 19 Cb -0.03 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 1uua s TYR 19 CO 0.16 0.56 0.64 -0.59 -1.11 0.00 0.00 175.55 175.21 1uua s PHE 20 N -1.98 -0.20 0.07 2.71 -0.71 -0.04 0.71 117.98 118.54 1uua s PHE 20 Ca 0.29 -0.18 -0.28 0.00 -1.04 0.00 0.00 56.93 55.71 1uua s PHE 20 Cb -0.08 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.26 1uua s PHE 20 CO 0.18 -1.08 0.89 -0.47 -1.34 0.00 0.00 175.22 173.40 1uua s TYR 21 N -3.89 3.76 -0.14 3.49 6.14 0.54 0.06 117.35 127.31 1uua s TYR 21 Ca 0.10 1.67 -0.04 0.00 0.64 0.00 0.00 57.07 59.43 1uua s TYR 21 Cb -0.04 -2.98 0.06 0.00 0.42 0.00 0.00 41.96 39.42 1uua s TYR 21 CO 0.01 0.19 0.12 -0.80 0.64 0.00 0.00 175.55 175.71 1uua s ASN 22 N 0.15 1.78 0.00 4.32 0.01 -0.40 -4.16 114.94 116.64 1uua s ASN 22 Ca 0.45 -0.32 0.07 0.00 -0.71 0.00 0.00 52.86 52.35 1uua s ASN 22 Cb -0.22 -0.06 0.44 0.00 0.41 0.00 0.00 41.25 41.82 1uua s ASN 22 CO 0.27 -0.32 1.15 0.00 -1.51 0.00 0.00 177.10 176.69 1uua n ALA 23 N 5.30 2.39 -0.09 0.60 0.00 -1.26 -1.75 120.51 125.69 1uua n ALA 23 Ca -0.06 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.14 1uua n ALA 23 Cb 0.49 -1.12 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 1uua n ALA 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 24 N -0.64 0.68 -0.06 0.00 4.81 -1.26 -4.61 118.16 117.08 1uua n LYS 24 Ca 0.06 0.20 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 1uua n LYS 24 Cb 0.03 -1.58 -0.13 0.00 0.02 0.00 0.00 35.03 33.37 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua h ALA 25 N -0.07 0.15 0.00 3.14 0.00 -1.91 -3.50 119.26 117.07 1uua h ALA 25 Ca -0.54 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1uua h ALA 25 Cb 1.90 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.11 1uua h ALA 25 CO -0.07 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1uua n GLY 26 N 1.58 -0.94 2.03 0.00 0.00 -0.72 -5.01 105.19 102.13 1uua n GLY 26 Ca -0.23 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1uua n GLY 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1uua n LEU 27 N 0.00 -0.62 -4.05 0.99 -0.00 -1.13 -4.67 117.00 107.52 1uua n LEU 27 Ca 0.00 0.19 -0.17 0.00 -0.00 0.00 0.00 56.01 56.03 1uua n LEU 27 Cb 0.00 0.80 -0.13 0.00 -0.00 0.00 0.00 43.42 44.08 1uua n LEU 27 CO 0.00 -0.42 -0.42 0.00 -0.00 0.00 0.00 177.39 176.54 1uua s GLN 29 N -0.86 0.78 0.30 0.00 2.00 0.11 -4.84 119.66 117.15 1uua s GLN 29 Ca -0.01 -0.95 -0.28 0.00 -2.00 0.00 0.00 55.36 52.12 1uua s GLN 29 Cb -0.06 0.31 -0.09 0.00 0.80 0.00 0.00 33.01 33.97 1uua s GLN 29 CO 0.00 -0.23 1.01 0.95 -0.50 0.00 0.00 175.29 176.52 1uua s THR 30 N -3.68 3.88 -0.06 -0.34 -4.23 -1.25 -0.86 115.64 109.09 1uua s THR 30 Ca 0.04 1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 62.07 1uua s THR 30 Cb 0.04 -4.02 0.04 0.00 1.34 0.00 0.00 72.50 69.90 1uua s THR 30 CO -0.10 0.27 0.43 0.72 -0.54 0.00 0.00 174.62 175.40 1uua s PHE 31 N -1.38 -0.37 -0.41 3.99 -0.71 0.44 -4.90 117.98 114.64 1uua s PHE 31 Ca 0.48 0.70 -0.15 0.00 -1.04 0.00 0.00 56.93 56.92 1uua s PHE 31 Cb -0.25 0.18 0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1uua s PHE 31 CO 0.31 -0.40 0.33 0.08 -1.34 0.00 0.00 175.22 174.21 1uua s VAL 32 N -0.88 5.22 0.16 -2.49 1.01 -1.26 0.36 120.40 122.51 1uua s VAL 32 Ca -0.09 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 1uua s VAL 32 Cb -0.04 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1uua s VAL 32 CO 0.05 -0.32 1.00 -0.47 0.00 0.00 0.00 175.10 175.36 1uua s TYR 33 N 1.80 3.77 0.30 5.22 5.04 0.64 -4.60 117.35 129.53 1uua s TYR 33 Ca 0.07 1.76 -0.04 0.00 -2.44 0.00 0.00 57.07 56.42 1uua s TYR 33 Cb -0.18 -3.11 -0.05 0.00 0.35 0.00 0.00 41.96 38.96 1uua s TYR 33 CO 0.11 -0.02 0.55 0.20 -1.34 0.00 0.00 175.55 175.06 1uua s GLY 34 N -0.27 1.77 -0.04 8.97 0.00 -1.26 -4.17 107.32 112.31 1uua s GLY 34 Ca 0.47 -0.62 0.20 0.00 0.00 0.00 0.00 44.72 44.76 1uua s GLY 34 CO 0.32 -0.52 1.54 0.61 0.00 0.00 0.00 173.10 175.06 1uua n GLY 35 N -1.09 2.39 0.13 0.20 0.00 -1.26 -4.33 105.19 101.23 1uua n GLY 35 Ca -0.02 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua s ARG 37 N -2.49 1.24 0.08 0.00 0.52 -1.26 -5.15 118.95 111.88 1uua s ARG 37 Ca -0.31 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.57 1uua s ARG 37 Cb 0.09 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.14 1uua s ARG 37 CO 0.62 0.29 0.21 0.00 0.02 0.00 0.00 175.30 176.44 1uua s ALA 38 N -1.75 3.95 0.19 2.13 0.00 -1.26 -4.66 121.76 120.37 1uua s ALA 38 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1uua s ALA 38 Cb -0.07 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.22 1uua s ALA 38 CO 0.06 0.76 0.01 0.21 0.00 0.00 0.00 175.76 176.80 1uua s LYS 39 N -2.65 1.19 -0.15 0.00 2.20 -1.26 -5.06 119.74 114.01 1uua s LYS 39 Ca 0.34 -1.58 0.16 0.00 -0.36 0.00 0.00 55.97 54.53 1uua s LYS 39 Cb -0.12 -0.34 0.46 0.00 -1.51 0.00 0.00 37.83 36.32 1uua s LYS 39 CO 0.27 -0.14 1.36 0.54 -0.36 0.00 0.00 175.35 177.02 1uua n ARG 40 N -0.30 2.69 -3.83 4.03 1.74 -1.26 -4.88 116.66 114.85 1uua n ARG 40 Ca -0.06 -2.69 -0.30 0.00 -0.77 0.00 0.00 57.85 54.03 1uua n ARG 40 Cb 0.64 -1.72 -0.15 0.00 -1.02 0.00 0.00 32.46 30.21 1uua n ARG 40 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1uua s ASN 41 N -1.95 4.21 -0.02 0.55 3.04 -1.26 -4.63 114.94 114.88 1uua s ASN 41 Ca 0.38 -2.08 -0.09 0.00 0.04 0.00 0.00 52.86 51.11 1uua s ASN 41 Cb 0.30 -1.19 0.01 0.00 -1.54 0.00 0.00 41.25 38.83 1uua s ASN 41 CO 0.09 -0.36 0.20 0.20 -3.04 0.00 0.00 177.10 174.18 1uua s ASN 42 N 1.03 -0.08 -0.50 -4.21 -0.87 -1.26 -4.95 114.94 104.09 1uua s ASN 42 Ca 0.12 -0.00 0.07 0.00 -1.57 0.00 0.00 52.86 51.48 1uua s ASN 42 Cb -0.20 0.28 0.19 0.00 -0.02 0.00 0.00 41.25 41.51 1uua s ASN 42 CO -0.13 -0.33 0.73 -0.36 -2.57 0.00 0.00 177.10 174.44 1uua s PHE 43 N -1.07 -1.59 0.57 2.20 0.08 0.22 -4.94 117.98 113.46 1uua s PHE 43 Ca -0.11 -0.46 0.38 0.00 0.12 0.00 0.00 56.93 56.86 1uua s PHE 43 Cb -0.06 0.31 1.42 0.00 -0.57 0.00 0.00 43.02 44.13 1uua s PHE 43 CO 0.02 -1.23 1.58 -0.22 -0.10 0.00 0.00 175.22 175.26 1uua h LYS 44 N 5.21 0.00 -4.52 0.44 1.63 -1.93 0.12 116.57 117.53 1uua h LYS 44 Ca 0.06 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.63 1uua h LYS 44 Cb 1.12 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.57 1uua h LYS 44 CO 0.02 0.00 -0.71 -1.12 -3.45 0.00 0.00 179.45 174.19 1uua s SER 45 N -4.18 0.88 0.09 4.20 0.01 -1.26 -4.46 113.70 108.98 1uua s SER 45 Ca -0.04 -0.77 -0.24 0.00 1.31 0.00 0.00 55.95 56.21 1uua s SER 45 Cb 0.21 0.08 -0.14 0.00 0.21 0.00 0.00 66.02 66.38 1uua s SER 45 CO 0.71 -0.35 1.73 0.00 0.41 0.00 0.00 173.24 175.73 1uua h ALA 46 N 3.78 -0.07 -0.80 1.44 0.00 -1.97 -1.48 119.26 120.15 1uua h ALA 46 Ca -0.35 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1uua h ALA 46 Cb 1.18 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.87 1uua h ALA 46 CO 0.53 -0.55 -0.25 1.49 0.00 0.00 0.00 179.25 180.47 1uua h GLU 47 N -0.08 -0.03 -0.57 0.00 4.81 -1.97 0.43 114.58 117.17 1uua h GLU 47 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1uua h GLU 47 Cb 0.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1uua h GLU 47 CO -0.01 -0.02 -0.01 0.22 -0.73 0.00 0.00 179.01 178.46 1uua h ASP 48 N -0.03 0.98 0.51 1.04 1.82 -1.90 0.31 116.42 119.14 1uua h ASP 48 Ca 0.36 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 1uua h ASP 48 Cb 0.59 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1uua h ASP 48 CO -0.83 1.04 -0.48 0.00 -1.61 0.00 0.00 179.24 177.36 1uua h MET 50 N -0.98 0.25 -0.83 0.00 2.86 -0.63 0.35 114.93 115.95 1uua h MET 50 Ca -0.06 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1uua h MET 50 Cb 0.85 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.40 1uua h MET 50 CO -0.05 0.22 0.53 -0.09 1.06 0.00 0.00 176.91 178.57 1uua h ARG 51 N 0.26 0.97 0.00 1.72 1.12 -0.13 0.30 114.38 118.61 1uua h ARG 51 Ca 0.07 -0.06 -0.38 0.00 -1.11 0.00 0.00 59.98 58.49 1uua h ARG 51 Cb 0.06 -0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 29.74 1uua h ARG 51 CO -0.01 0.64 -2.26 2.41 -3.11 0.00 0.00 179.97 177.64 1uua n THR 52 N -4.59 1.44 -0.46 0.20 -1.04 -0.61 -4.55 114.28 104.67 1uua n THR 52 Ca 0.11 -0.30 0.10 0.00 -2.04 0.00 0.00 64.05 61.92 1uua n THR 52 Cb 0.12 -1.91 0.31 0.00 -1.82 0.00 0.00 70.33 67.03 1uua n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uua n GLY 54 N 1.24 -0.58 0.00 0.00 0.00 0.90 -4.83 105.19 101.93 1uua n GLY 54 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1uua n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 55 N 1.48 0.67 0.10 -0.02 0.00 -0.31 -5.02 105.19 102.10 1uua n GLY 55 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.91 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32