#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 2.29 0.01 2.11 1.16 -1.26 -4.65 117.46 117.12 1uua n PHE 2 Ca 0.00 -3.15 0.00 0.00 -1.87 0.00 0.00 57.45 52.43 1uua n PHE 2 Cb 0.00 -0.27 0.00 0.00 -1.61 0.00 0.00 39.48 37.60 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 -2.85 3.79 -4.82 0.00 -0.00 -1.26 -4.19 117.00 107.66 1uua n LEU 4 Ca 0.00 -1.84 -0.38 0.00 -0.00 0.00 0.00 56.01 53.79 1uua n LEU 4 Cb 0.25 -0.41 -0.06 0.00 -0.00 0.00 0.00 43.42 43.20 1uua n LEU 4 CO 0.00 0.91 0.25 -1.61 -0.00 0.00 0.00 177.39 176.94 1uua s GLU 5 N -1.15 4.12 0.67 1.47 0.41 -1.26 -4.73 118.70 118.23 1uua s GLU 5 Ca 0.45 0.65 -0.11 0.00 -0.41 0.00 0.00 54.97 55.55 1uua s GLU 5 Cb 0.24 -3.16 -0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1uua s GLU 5 CO 0.32 0.60 1.05 -2.14 -0.49 0.00 0.00 175.26 174.61 1uua s PRO 6 N -1.31 3.08 0.57 0.39 0.02 -1.26 -4.87 135.00 131.61 1uua s PRO 6 Ca 0.31 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 62.07 1uua s PRO 6 Cb -0.18 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 1uua s PRO 6 CO 0.18 -0.98 1.28 -1.25 -0.33 0.00 0.00 177.00 175.90 1uua s PRO 7 N -4.95 3.06 -0.62 5.54 0.04 -1.26 -4.97 135.00 131.84 1uua s PRO 7 Ca 0.58 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.66 1uua s PRO 7 Cb -0.14 -2.10 0.41 0.00 0.04 0.00 0.00 34.50 32.71 1uua s PRO 7 CO 0.53 -1.19 1.69 0.98 0.04 0.00 0.00 177.00 179.04 1uua n TYR 8 N -1.29 3.11 -0.13 0.56 9.36 -1.26 -4.80 117.16 122.72 1uua n TYR 8 Ca 0.12 -2.67 -0.04 0.00 3.32 0.00 0.00 57.90 58.63 1uua n TYR 8 Cb 0.47 -0.87 0.04 0.00 -0.63 0.00 0.00 39.34 38.35 1uua n TYR 8 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 1uua h THR 9 N 1.91 0.74 -0.06 2.97 2.02 -1.90 -3.45 112.91 115.13 1uua h THR 9 Ca 0.49 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.61 1uua h THR 9 Cb 0.67 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1uua h THR 9 CO 1.24 0.03 0.00 0.61 0.37 0.00 0.00 175.52 177.77 1uua n GLY 10 N -1.26 0.98 0.83 2.16 0.00 -1.26 -2.90 105.19 103.73 1uua n GLY 10 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.47 1uua n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uua n PRO 11 N 0.00 2.18 -3.67 1.61 -0.05 -1.26 -4.78 135.00 129.02 1uua n PRO 11 Ca 0.00 -1.17 -0.19 0.00 -0.05 0.00 0.00 63.50 62.09 1uua n PRO 11 Cb 0.00 -1.56 -0.17 0.00 -0.05 0.00 0.00 33.50 31.72 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua s LYS 13 N 2.18 0.02 0.00 0.00 2.47 -1.26 -4.48 119.74 118.68 1uua s LYS 13 Ca 0.04 0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 1uua s LYS 13 Cb -0.12 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.27 1uua s LYS 13 CO -0.04 -0.03 0.00 0.00 0.16 0.00 0.00 175.35 175.44 1uua n ALA 14 N 5.41 0.00 -1.83 3.13 0.00 -1.23 -4.94 120.51 121.06 1uua n ALA 14 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1uua n ALA 14 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 2.90 -3.73 0.00 0.00 -1.26 -4.84 116.66 109.73 1uua n ARG 15 Ca 0.00 -3.64 -0.30 0.00 -0.00 0.00 0.00 57.85 53.91 1uua n ARG 15 Cb 0.00 -2.27 -0.13 0.00 -0.00 0.00 0.00 32.46 30.05 1uua n ARG 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1uua s ILE 16 N -5.02 1.47 0.36 8.89 1.01 -1.26 -5.06 121.20 121.58 1uua s ILE 16 Ca 0.55 -2.54 -0.25 0.00 0.00 0.00 0.00 60.65 58.41 1uua s ILE 16 Cb 0.45 -2.03 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1uua s ILE 16 CO -0.22 -0.87 1.03 -0.63 0.00 0.00 0.00 174.94 174.24 1uua s ILE 17 N 0.39 3.83 0.00 2.92 1.09 -1.26 0.12 121.20 128.28 1uua s ILE 17 Ca 0.17 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.21 1uua s ILE 17 Cb -0.24 -3.82 0.00 0.00 -1.06 0.00 0.00 42.46 37.34 1uua s ILE 17 CO -0.01 0.10 0.00 -1.14 -0.10 0.00 0.00 174.94 173.79 1uua n ARG 18 N 0.29 1.14 -4.20 2.79 0.63 1.75 -4.80 116.66 114.26 1uua n ARG 18 Ca 0.03 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.79 1uua n ARG 18 Cb 0.49 0.00 -0.13 0.00 0.45 0.00 0.00 32.46 33.27 1uua n ARG 18 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1uua s TYR 19 N -0.46 0.96 -0.05 -0.14 1.51 0.23 0.03 117.35 119.42 1uua s TYR 19 Ca 0.00 -0.39 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 1uua s TYR 19 Cb 0.00 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 1uua s TYR 19 CO 0.00 -0.00 0.17 -0.59 -1.11 0.00 0.00 175.55 174.02 1uua s PHE 20 N -1.01 -0.15 -0.23 2.71 -0.71 -0.34 -1.28 117.98 116.96 1uua s PHE 20 Ca -0.03 0.36 -0.25 0.00 -1.04 0.00 0.00 56.93 55.98 1uua s PHE 20 Cb -0.08 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 1uua s PHE 20 CO 0.01 -0.13 0.85 -0.47 -1.34 0.00 0.00 175.22 174.13 1uua s TYR 21 N -0.19 3.33 -0.69 3.49 6.14 -1.26 0.01 117.35 128.18 1uua s TYR 21 Ca -0.03 1.18 -0.17 0.00 0.64 0.00 0.00 57.07 58.70 1uua s TYR 21 Cb -0.02 -3.06 0.15 0.00 0.42 0.00 0.00 41.96 39.44 1uua s TYR 21 CO 0.01 -0.38 0.72 -0.80 0.64 0.00 0.00 175.55 175.74 1uua s ASN 22 N 1.29 6.41 0.28 4.32 -0.87 -0.65 -4.46 114.94 121.25 1uua s ASN 22 Ca 0.36 -1.97 0.10 0.00 -1.57 0.00 0.00 52.86 49.78 1uua s ASN 22 Cb -0.15 -2.26 0.56 0.00 -0.02 0.00 0.00 41.25 39.37 1uua s ASN 22 CO 0.08 -0.88 1.18 0.00 -2.57 0.00 0.00 177.10 174.91 1uua n ALA 23 N 5.38 0.56 -0.03 0.60 0.00 -1.26 -0.15 120.51 125.62 1uua n ALA 23 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.51 1uua n ALA 23 Cb 0.44 -0.69 -0.13 0.00 0.00 0.00 0.00 19.45 19.06 1uua n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 24 N -1.92 0.66 -0.00 0.00 4.76 -1.26 -4.47 118.16 115.93 1uua n LYS 24 Ca -0.01 0.06 -0.21 0.00 -2.87 0.00 0.00 58.31 55.28 1uua n LYS 24 Cb 0.34 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.75 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uua h ALA 25 N 1.33 0.13 0.00 7.82 0.00 -0.96 -3.49 119.26 124.10 1uua h ALA 25 Ca -0.29 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.62 1uua h ALA 25 Cb 1.77 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.97 1uua h ALA 25 CO 0.03 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.39 1uua n GLY 26 N 1.69 0.93 3.29 0.00 0.00 -0.48 -5.08 105.19 105.55 1uua n GLY 26 Ca -0.23 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1uua n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uua s LEU 27 N 0.00 1.37 -0.55 0.99 -0.00 -1.26 -4.99 118.68 114.24 1uua s LEU 27 Ca 0.00 -1.55 -0.19 0.00 -0.00 0.00 0.00 54.13 52.39 1uua s LEU 27 Cb 0.00 0.66 0.08 0.00 -0.00 0.00 0.00 46.19 46.93 1uua s LEU 27 CO 0.00 -1.01 0.66 0.00 -0.00 0.00 0.00 176.35 176.00 1uua s GLN 29 N 2.67 4.31 -0.16 0.00 2.00 0.10 -4.56 119.66 124.02 1uua s GLN 29 Ca 0.13 1.19 -0.29 0.00 -2.00 0.00 0.00 55.36 54.39 1uua s GLN 29 Cb -0.21 -2.36 -0.01 0.00 0.80 0.00 0.00 33.01 31.23 1uua s GLN 29 CO 0.09 0.04 1.10 0.95 -0.50 0.00 0.00 175.29 176.97 1uua s THR 30 N -2.01 4.57 0.04 -0.34 -4.23 -1.26 -1.20 115.64 111.21 1uua s THR 30 Ca 0.59 1.87 0.00 0.00 -1.18 0.00 0.00 61.69 62.98 1uua s THR 30 Cb -0.12 -4.21 -0.03 0.00 1.34 0.00 0.00 72.50 69.48 1uua s THR 30 CO 0.16 -0.10 -0.04 0.72 -0.54 0.00 0.00 174.62 174.82 1uua s PHE 31 N 2.86 0.48 0.74 3.99 -0.71 0.10 -4.90 117.98 120.54 1uua s PHE 31 Ca 0.49 -0.72 -0.11 0.00 -1.04 0.00 0.00 56.93 55.54 1uua s PHE 31 Cb -0.18 -0.32 0.04 0.00 -1.21 0.00 0.00 43.02 41.34 1uua s PHE 31 CO 0.13 -0.22 1.09 0.08 -1.34 0.00 0.00 175.22 174.95 1uua s VAL 32 N -2.40 3.45 0.07 -2.49 1.01 -1.26 0.48 120.40 119.25 1uua s VAL 32 Ca -0.05 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1uua s VAL 32 Cb -0.03 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1uua s VAL 32 CO -0.04 -0.61 -0.21 -0.47 0.00 0.00 0.00 175.10 173.77 1uua s TYR 33 N -3.21 2.47 0.14 5.22 5.04 0.31 -4.61 117.35 122.72 1uua s TYR 33 Ca 0.59 -0.31 0.11 0.00 -2.44 0.00 0.00 57.07 55.02 1uua s TYR 33 Cb -0.13 -1.40 -0.04 0.00 0.35 0.00 0.00 41.96 40.74 1uua s TYR 33 CO 0.53 0.26 -0.24 0.20 -1.34 0.00 0.00 175.55 174.97 1uua s GLY 34 N -1.61 1.64 0.04 8.97 0.00 -1.26 -3.52 107.32 111.57 1uua s GLY 34 Ca 0.15 -1.49 0.23 0.00 0.00 0.00 0.00 44.72 43.60 1uua s GLY 34 CO 0.06 -1.48 0.95 0.61 0.00 0.00 0.00 173.10 173.24 1uua n GLY 35 N 0.70 -1.17 0.11 0.20 0.00 -1.26 -3.10 105.19 100.67 1uua n GLY 35 Ca -0.16 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 1uua n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uua n ARG 37 N -3.32 0.00 -1.82 0.00 5.12 -1.26 -5.11 116.66 110.27 1uua n ARG 37 Ca -0.21 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1uua n ARG 37 Cb 1.04 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uua n ALA 38 N -2.21 -1.38 -3.76 7.54 0.00 -1.18 -5.07 120.51 114.45 1uua n ALA 38 Ca 0.00 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 1uua n ALA 38 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 1uua n ALA 38 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uua n LYS 39 N 1.74 0.74 -0.03 0.00 4.76 -1.26 -5.09 118.16 119.02 1uua n LYS 39 Ca 0.00 -1.14 -0.15 0.00 -2.87 0.00 0.00 58.31 54.15 1uua n LYS 39 Cb 0.00 0.66 -0.11 0.00 -1.84 0.00 0.00 35.03 33.74 1uua n LYS 39 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1uua h ARG 40 N 0.00 0.16 -5.14 1.97 3.08 -2.01 -3.39 114.38 109.05 1uua h ARG 40 Ca -0.10 -0.16 -0.45 0.00 0.07 0.00 0.00 59.98 59.34 1uua h ARG 40 Cb 0.40 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1uua h ARG 40 CO 0.16 0.90 1.50 -1.71 -1.07 0.00 0.00 179.97 179.74 1uua n ASN 41 N -4.53 2.89 -3.67 7.04 4.05 -1.26 -4.80 115.26 114.98 1uua n ASN 41 Ca -0.10 -2.69 -0.09 0.00 0.45 0.00 0.00 54.58 52.16 1uua n ASN 41 Cb 0.49 -1.52 -0.09 0.00 1.23 0.00 0.00 39.78 39.89 1uua n ASN 41 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1uua s ASN 42 N 5.96 -0.66 -0.03 1.20 -0.87 -1.26 -4.82 114.94 114.46 1uua s ASN 42 Ca 0.65 1.14 0.03 0.00 -1.57 0.00 0.00 52.86 53.11 1uua s ASN 42 Cb 0.05 1.10 0.00 0.00 -0.02 0.00 0.00 41.25 42.38 1uua s ASN 42 CO 0.13 -0.21 -0.12 -0.36 -2.57 0.00 0.00 177.10 173.97 1uua s PHE 43 N 1.67 1.23 0.04 2.20 0.40 -0.41 -5.03 117.98 118.09 1uua s PHE 43 Ca -0.09 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.77 1uua s PHE 43 Cb -0.08 -0.86 -0.34 0.00 0.51 0.00 0.00 43.02 42.25 1uua s PHE 43 CO -0.15 -0.13 1.03 -0.22 0.70 0.00 0.00 175.22 176.44 1uua h LYS 44 N 6.39 0.49 -6.08 0.44 1.63 -1.95 0.65 116.57 118.14 1uua h LYS 44 Ca -0.33 -0.83 -0.68 0.00 -0.85 0.00 0.00 60.65 57.96 1uua h LYS 44 Cb 1.17 0.31 -0.21 0.00 -0.60 0.00 0.00 32.23 32.90 1uua h LYS 44 CO 0.48 1.40 -0.72 -1.12 -3.45 0.00 0.00 179.45 176.04 1uua s SER 45 N -7.50 4.40 0.41 4.20 0.01 -1.26 -4.36 113.70 109.60 1uua s SER 45 Ca -0.08 -0.11 0.11 0.00 1.31 0.00 0.00 55.95 57.18 1uua s SER 45 Cb 0.05 -1.14 0.86 0.00 0.21 0.00 0.00 66.02 66.00 1uua s SER 45 CO 0.93 0.33 1.95 0.00 0.41 0.00 0.00 173.24 176.87 1uua h ALA 46 N 5.49 1.59 0.58 1.44 0.00 -1.91 0.60 119.26 127.05 1uua h ALA 46 Ca -0.45 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.26 1uua h ALA 46 Cb 1.17 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1uua h ALA 46 CO 0.53 0.30 -0.28 0.93 0.00 0.00 0.00 179.25 180.73 1uua h GLU 47 N 0.19 -0.75 0.00 0.00 3.07 -1.99 -1.29 114.58 113.81 1uua h GLU 47 Ca 0.04 0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 1uua h GLU 47 Cb 0.31 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1uua h GLU 47 CO 0.02 -0.44 -0.18 -0.44 -1.40 0.00 0.00 179.01 176.56 1uua h ASP 48 N -0.95 0.00 0.33 1.42 3.32 -1.95 -0.77 116.42 117.81 1uua h ASP 48 Ca -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 1uua h ASP 48 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1uua h ASP 48 CO 0.13 0.18 -0.16 0.00 -1.72 0.00 0.00 179.24 177.67 1uua h MET 50 N -0.78 0.03 -0.09 0.00 2.86 -1.19 -0.92 114.93 114.84 1uua h MET 50 Ca -0.04 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 1uua h MET 50 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1uua h MET 50 CO 0.07 0.68 -0.81 -0.09 1.06 0.00 0.00 176.91 177.83 1uua h ARG 51 N 0.02 0.60 0.07 1.72 1.12 -1.18 0.31 114.38 117.05 1uua h ARG 51 Ca -0.01 -0.52 -0.29 0.00 -1.11 0.00 0.00 59.98 58.04 1uua h ARG 51 Cb 1.18 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 31.24 1uua h ARG 51 CO 0.09 1.14 -1.55 1.15 -3.11 0.00 0.00 179.97 177.69 1uua h THR 52 N 0.40 1.09 0.00 0.20 2.02 -1.13 -3.37 112.91 112.13 1uua h THR 52 Ca -0.06 -2.81 -0.16 0.00 0.77 0.00 0.00 66.41 64.15 1uua h THR 52 Cb 1.42 2.65 -0.02 0.00 -1.74 0.00 0.00 68.15 70.46 1uua h THR 52 CO 0.15 0.76 -0.89 0.00 0.37 0.00 0.00 175.52 175.91 1uua n GLY 54 N 1.49 0.15 0.00 0.00 0.00 0.77 -4.86 105.19 102.73 1uua n GLY 54 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 4.12 3.27 3.79 -0.02 0.00 0.62 -4.87 105.19 112.10 1uua n GLY 55 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32