#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 -0.26 0.00 1.24 1.16 -1.26 -4.44 117.46 113.90 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 0.70 -4.90 0.00 7.99 -1.26 -3.87 117.00 115.66 1uua n LEU 4 Ca 0.00 -0.30 -0.32 0.00 -0.01 0.00 0.00 56.01 55.37 1uua n LEU 4 Cb 0.00 -0.02 -0.05 0.00 -0.11 0.00 0.00 43.42 43.24 1uua n LEU 4 CO 0.00 0.16 -0.07 -1.61 -1.51 0.00 0.00 177.39 174.36 1uua s GLU 5 N -3.14 3.54 0.75 3.23 0.41 -1.26 -4.78 118.70 117.45 1uua s GLU 5 Ca 0.04 -0.21 -0.12 0.00 -0.41 0.00 0.00 54.97 54.28 1uua s GLU 5 Cb 0.15 -3.00 0.04 0.00 -1.78 0.00 0.00 34.13 29.55 1uua s GLU 5 CO 0.86 0.59 1.10 -2.14 -0.49 0.00 0.00 175.26 175.18 1uua s PRO 6 N -2.26 2.47 0.94 0.39 0.02 -1.26 -4.84 135.00 130.46 1uua s PRO 6 Ca 0.34 0.50 -0.10 0.00 0.02 0.00 0.00 61.00 61.75 1uua s PRO 6 Cb -0.13 -1.97 0.16 0.00 0.02 0.00 0.00 34.50 32.58 1uua s PRO 6 CO 0.22 -1.32 1.13 -1.25 -0.33 0.00 0.00 177.00 175.46 1uua s PRO 7 N -5.30 0.78 -0.23 5.54 0.04 -1.26 -5.00 135.00 129.57 1uua s PRO 7 Ca 0.60 1.47 0.13 0.00 0.04 0.00 0.00 61.00 63.23 1uua s PRO 7 Cb -0.12 -1.71 0.46 0.00 0.04 0.00 0.00 34.50 33.17 1uua s PRO 7 CO 0.52 -2.77 1.18 0.98 0.04 0.00 0.00 177.00 176.96 1uua n TYR 8 N -4.32 1.45 -0.05 0.56 9.36 -1.26 -4.83 117.16 118.07 1uua n TYR 8 Ca 0.11 -1.83 -0.10 0.00 3.32 0.00 0.00 57.90 59.39 1uua n TYR 8 Cb 0.52 -0.28 -0.04 0.00 -0.63 0.00 0.00 39.34 38.92 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 3.02 1.12 -0.31 2.97 2.02 -1.95 -3.46 112.91 116.32 1uua h THR 9 Ca 0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1uua h THR 9 Cb 1.39 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1uua h THR 9 CO 0.38 0.12 0.00 0.61 0.37 0.00 0.00 175.52 177.00 1uua n GLY 10 N -0.87 -0.91 1.75 2.16 0.00 -1.26 -3.94 105.19 102.12 1uua n GLY 10 Ca -0.04 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.06 1.47 -0.03 1.61 -0.05 -1.26 -4.37 135.00 132.31 1uua n PRO 11 Ca 0.00 -0.75 -0.02 0.00 -0.05 0.00 0.00 63.50 62.68 1uua n PRO 11 Cb 0.00 -1.40 -0.01 0.00 -0.05 0.00 0.00 33.50 32.05 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1uua n LYS 13 N -3.19 -3.13 -3.34 0.00 4.01 -1.26 -5.10 118.16 106.14 1uua n LYS 13 Ca -0.03 2.52 -0.17 0.00 -0.51 0.00 0.00 58.31 60.12 1uua n LYS 13 Cb 0.12 -3.92 -0.03 0.00 -0.51 0.00 0.00 35.03 30.69 1uua n LYS 13 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uua n ALA 14 N 1.08 0.25 -1.60 7.82 0.00 -1.26 -5.06 120.51 121.73 1uua n ALA 14 Ca -0.25 -1.20 -0.27 0.00 0.00 0.00 0.00 53.44 51.73 1uua n ALA 14 Cb 0.39 0.64 0.08 0.00 0.00 0.00 0.00 19.45 20.55 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 -0.71 2.91 -3.24 0.00 0.00 -1.26 -4.73 116.66 109.62 1uua n ARG 15 Ca -0.10 -3.59 -0.25 0.00 -0.00 0.00 0.00 57.85 53.91 1uua n ARG 15 Cb 0.34 -2.22 -0.08 0.00 -0.00 0.00 0.00 32.46 30.50 1uua n ARG 15 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1uua n ILE 16 N -0.88 -0.55 -2.40 8.89 5.41 -1.26 -5.06 119.36 123.51 1uua n ILE 16 Ca 0.52 -4.02 -0.43 0.00 1.00 0.00 0.00 62.75 59.82 1uua n ILE 16 Cb 0.88 -1.93 -0.02 0.00 -0.71 0.00 0.00 39.64 37.85 1uua n ILE 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1uua s ILE 17 N -1.10 4.17 0.00 1.39 2.07 -1.26 0.90 121.20 127.37 1uua s ILE 17 Ca 0.35 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.95 1uua s ILE 17 Cb 0.15 -4.05 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1uua s ILE 17 CO -0.12 -0.30 0.00 0.54 -1.91 0.00 0.00 174.94 173.15 1uua n ARG 18 N 7.02 3.09 -4.42 3.50 1.74 2.42 -4.84 116.66 125.16 1uua n ARG 18 Ca 0.15 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.02 1uua n ARG 18 Cb 0.46 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.79 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 2.06 1.95 0.20 -1.55 1.51 0.16 -0.30 117.35 121.38 1uua s TYR 19 Ca 0.00 -0.67 -0.20 0.00 -1.01 0.00 0.00 57.07 55.18 1uua s TYR 19 Cb 0.00 -1.09 0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1uua s TYR 19 CO 0.00 0.30 0.59 -0.59 -1.11 0.00 0.00 175.55 174.75 1uua s PHE 20 N -2.99 -0.28 -0.34 2.71 -0.12 0.56 -0.39 117.98 117.13 1uua s PHE 20 Ca 0.29 -0.05 -0.07 0.00 -0.05 0.00 0.00 56.93 57.05 1uua s PHE 20 Cb 0.03 0.52 0.04 0.00 -0.63 0.00 0.00 43.02 42.98 1uua s PHE 20 CO 0.12 -0.97 0.11 -0.47 -0.05 0.00 0.00 175.22 173.96 1uua s TYR 21 N -3.84 3.25 -1.18 3.49 5.04 -1.26 -0.19 117.35 122.65 1uua s TYR 21 Ca 0.07 -1.35 -0.21 0.00 -2.44 0.00 0.00 57.07 53.15 1uua s TYR 21 Cb -0.02 -2.29 0.03 0.00 0.35 0.00 0.00 41.96 40.03 1uua s TYR 21 CO -0.04 -0.71 1.71 -0.80 -1.34 0.00 0.00 175.55 174.37 1uua s ASN 22 N 1.43 6.32 0.00 4.32 -0.87 -0.27 -4.68 114.94 121.19 1uua s ASN 22 Ca -0.01 -1.92 0.04 0.00 -1.57 0.00 0.00 52.86 49.40 1uua s ASN 22 Cb -0.19 -2.58 0.20 0.00 -0.02 0.00 0.00 41.25 38.66 1uua s ASN 22 CO 0.03 -1.70 0.81 0.00 -2.57 0.00 0.00 177.10 173.67 1uua n ALA 23 N 9.95 1.51 -0.09 0.60 0.00 -1.25 -0.95 120.51 130.28 1uua n ALA 23 Ca 0.43 -0.02 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 1uua n ALA 23 Cb 0.47 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.13 0.68 -0.08 0.00 5.02 -1.26 -4.67 118.16 116.73 1uua n LYS 24 Ca 0.02 0.17 -0.10 0.00 -2.02 0.00 0.00 58.31 56.38 1uua n LYS 24 Cb 0.02 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.39 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uua h ALA 25 N 0.21 0.08 0.00 7.82 0.00 -1.75 -3.50 119.26 122.12 1uua h ALA 25 Ca -0.52 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1uua h ALA 25 Cb 1.99 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.20 1uua h ALA 25 CO -0.02 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1uua n GLY 26 N 1.59 1.49 2.07 0.00 0.00 -0.13 -5.12 105.19 105.10 1uua n GLY 26 Ca -0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 -4.87 0.99 -0.00 -1.26 -4.81 117.00 107.05 1uua n LEU 27 Ca 0.00 -1.24 -0.37 0.00 -0.00 0.00 0.00 56.01 54.40 1uua n LEU 27 Cb 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.42 43.08 1uua n LEU 27 CO 0.00 -0.68 -0.12 0.00 -0.00 0.00 0.00 177.39 176.60 1uua s GLN 29 N -0.99 1.32 -0.24 0.00 -0.44 0.73 -4.89 119.66 115.15 1uua s GLN 29 Ca 0.17 -1.39 -0.24 0.00 -2.50 0.00 0.00 55.36 51.39 1uua s GLN 29 Cb -0.13 -1.51 -0.01 0.00 -1.64 0.00 0.00 33.01 29.72 1uua s GLN 29 CO 0.06 0.33 0.81 0.95 0.50 0.00 0.00 175.29 177.93 1uua s THR 30 N -1.72 4.85 0.31 -0.34 -4.23 -1.26 -0.32 115.64 112.93 1uua s THR 30 Ca 0.15 1.53 0.08 0.00 -1.18 0.00 0.00 61.69 62.27 1uua s THR 30 Cb -0.07 -4.10 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1uua s THR 30 CO 0.07 -0.06 0.18 0.72 -0.54 0.00 0.00 174.62 174.99 1uua s PHE 31 N 2.81 2.86 -0.02 3.99 -0.71 0.59 -4.85 117.98 122.65 1uua s PHE 31 Ca 0.34 -0.28 -0.01 0.00 -1.04 0.00 0.00 56.93 55.94 1uua s PHE 31 Cb -0.15 -1.58 -0.04 0.00 -1.21 0.00 0.00 43.02 40.04 1uua s PHE 31 CO 0.07 0.36 0.07 0.08 -1.34 0.00 0.00 175.22 174.47 1uua s VAL 32 N -2.31 4.73 -0.17 -2.49 1.01 -1.26 0.58 120.40 120.49 1uua s VAL 32 Ca 0.37 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1uua s VAL 32 Cb -0.05 -3.13 -0.00 0.00 0.00 0.00 0.00 36.38 33.19 1uua s VAL 32 CO 0.24 0.41 -0.12 -0.47 0.00 0.00 0.00 175.10 175.15 1uua s TYR 33 N -1.14 2.83 0.00 5.22 5.04 0.26 -4.64 117.35 124.92 1uua s TYR 33 Ca 0.21 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 1uua s TYR 33 Cb -0.12 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.26 1uua s TYR 33 CO 0.12 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.27 1uua n GLY 34 N 4.17 4.66 1.85 8.97 0.00 -1.26 -4.30 105.19 119.28 1uua n GLY 34 Ca -0.19 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 1uua n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uua n GLY 35 N 3.64 3.33 0.13 -0.02 0.00 -1.26 -4.29 105.19 106.71 1uua n GLY 35 Ca 0.00 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.50 1.43 -0.28 0.00 1.81 -1.26 -5.17 118.95 112.99 1uua s ARG 37 Ca -0.31 -1.78 -0.10 0.00 -1.72 0.00 0.00 55.73 51.82 1uua s ARG 37 Cb 0.09 -0.36 0.12 0.00 -0.45 0.00 0.00 34.95 34.35 1uua s ARG 37 CO 0.62 -0.27 0.61 0.00 -0.68 0.00 0.00 175.30 175.59 1uua s ALA 38 N -3.67 -1.88 0.00 2.13 0.00 -1.26 -4.70 121.76 112.38 1uua s ALA 38 Ca 0.37 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.54 1uua s ALA 38 Cb 0.08 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1uua s ALA 38 CO 0.13 -0.85 0.00 1.63 0.00 0.00 0.00 175.76 176.68 1uua n LYS 39 N 5.33 0.00 0.01 0.00 4.76 -1.26 -5.12 118.16 121.89 1uua n LYS 39 Ca -0.12 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.31 1uua n LYS 39 Cb 0.50 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.69 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 -0.06 -5.15 1.97 2.47 -2.01 -3.44 114.38 108.16 1uua h ARG 40 Ca 0.00 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.24 1uua h ARG 40 Cb 0.00 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.27 1uua h ARG 40 CO 0.00 -0.04 1.72 -1.71 0.56 0.00 0.00 179.97 180.50 1uua n ASN 41 N -2.70 0.73 -3.73 7.04 4.05 -1.26 -4.88 115.26 114.50 1uua n ASN 41 Ca -0.01 -0.02 -0.13 0.00 0.45 0.00 0.00 54.58 54.87 1uua n ASN 41 Cb 0.02 -1.07 -0.10 0.00 1.23 0.00 0.00 39.78 39.86 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 9.52 -0.43 -0.00 1.20 -0.87 -1.26 -4.84 114.94 118.25 1uua s ASN 42 Ca 1.27 0.83 -0.04 0.00 -1.57 0.00 0.00 52.86 53.34 1uua s ASN 42 Cb -0.98 0.83 -0.00 0.00 -0.02 0.00 0.00 41.25 41.08 1uua s ASN 42 CO 0.43 -0.15 0.07 -0.36 -2.57 0.00 0.00 177.10 174.53 1uua s PHE 43 N 0.30 0.08 -0.23 2.20 0.08 0.47 -4.94 117.98 115.95 1uua s PHE 43 Ca -0.01 -0.18 -0.07 0.00 0.12 0.00 0.00 56.93 56.80 1uua s PHE 43 Cb -0.03 -0.08 -0.18 0.00 -0.57 0.00 0.00 43.02 42.16 1uua s PHE 43 CO -0.00 -0.20 -0.09 1.63 -0.10 0.00 0.00 175.22 176.46 1uua n LYS 44 N 1.85 0.65 -4.27 0.44 4.76 -1.26 0.37 118.16 120.70 1uua n LYS 44 Ca -0.21 0.26 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 1uua n LYS 44 Cb 0.56 -1.58 -0.10 0.00 -1.84 0.00 0.00 35.03 32.07 1uua n LYS 44 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1uua s SER 45 N -6.94 1.36 0.00 4.39 0.01 -1.26 -4.73 113.70 106.53 1uua s SER 45 Ca -0.33 -1.20 -0.01 0.00 1.31 0.00 0.00 55.95 55.72 1uua s SER 45 Cb 0.10 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.42 1uua s SER 45 CO 0.60 -0.57 0.90 0.00 0.41 0.00 0.00 173.24 174.59 1uua h ALA 46 N 2.62 -0.90 -0.96 1.44 0.00 -1.96 0.18 119.26 119.68 1uua h ALA 46 Ca -0.37 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.73 1uua h ALA 46 Cb 1.21 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 1uua h ALA 46 CO 0.63 -0.89 0.61 1.49 0.00 0.00 0.00 179.25 181.09 1uua h GLU 47 N -0.06 0.54 -0.18 0.00 4.81 -2.00 0.34 114.58 118.04 1uua h GLU 47 Ca -0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.08 1uua h GLU 47 Cb 0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1uua h GLU 47 CO 0.01 0.36 -0.39 -0.44 -0.73 0.00 0.00 179.01 177.81 1uua h ASP 48 N 0.55 0.41 -0.24 1.04 5.19 -1.98 -1.88 116.42 119.50 1uua h ASP 48 Ca 0.52 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.72 1uua h ASP 48 Cb 1.09 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.48 1uua h ASP 48 CO -0.26 0.76 0.01 0.00 -3.12 0.00 0.00 179.24 176.63 1uua h MET 50 N 0.20 -0.23 -0.53 0.00 2.86 -1.17 -0.71 114.93 115.35 1uua h MET 50 Ca 0.07 0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1uua h MET 50 Cb 0.39 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1uua h MET 50 CO 0.01 0.03 0.08 0.07 1.06 0.00 0.00 176.91 178.16 1uua h ARG 51 N -0.48 0.83 0.04 1.72 0.11 -1.39 0.89 114.38 116.10 1uua h ARG 51 Ca -0.02 -0.19 -0.23 0.00 0.10 0.00 0.00 59.98 59.63 1uua h ARG 51 Cb 0.37 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.31 1uua h ARG 51 CO 0.04 0.78 -1.10 1.15 0.10 0.00 0.00 179.97 180.94 1uua h THR 52 N 0.79 1.62 0.00 0.08 2.02 -1.20 -3.26 112.91 112.97 1uua h THR 52 Ca 0.17 -3.29 0.00 0.00 0.77 0.00 0.00 66.41 64.05 1uua h THR 52 Cb 0.36 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1uua h THR 52 CO 0.01 0.94 -0.29 0.00 0.37 0.00 0.00 175.52 176.55 1uua n GLY 54 N 1.69 3.09 2.87 0.00 0.00 0.24 -4.91 105.19 108.18 1uua n GLY 54 Ca -0.04 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 1.42 5.64 0.00 -0.02 0.00 -0.82 -4.73 105.19 106.68 1uua n GLY 55 Ca 0.23 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.49 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32