#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 2.11 1.16 -1.26 -4.82 117.46 114.65 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 0.01 -4.92 0.00 7.99 -1.26 -4.16 117.00 114.67 1uua n LEU 4 Ca 0.00 0.10 -0.28 0.00 -0.01 0.00 0.00 56.01 55.83 1uua n LEU 4 Cb 0.00 -0.11 -0.03 0.00 -0.11 0.00 0.00 43.42 43.17 1uua n LEU 4 CO 0.00 0.00 0.14 -1.61 -1.51 0.00 0.00 177.39 174.41 1uua s GLU 5 N -2.22 3.58 0.54 3.23 0.41 -1.26 -4.86 118.70 118.11 1uua s GLU 5 Ca 0.40 -0.15 -0.20 0.00 -0.41 0.00 0.00 54.97 54.61 1uua s GLU 5 Cb 0.21 -2.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.79 1uua s GLU 5 CO 0.41 0.27 1.20 -2.14 -0.49 0.00 0.00 175.26 174.50 1uua s PRO 6 N -3.55 3.31 0.35 0.39 0.02 -1.26 -4.91 135.00 129.34 1uua s PRO 6 Ca 0.42 1.81 -0.29 0.00 0.02 0.00 0.00 61.00 62.96 1uua s PRO 6 Cb -0.11 -2.12 -0.11 0.00 0.02 0.00 0.00 34.50 32.18 1uua s PRO 6 CO 0.30 -0.93 1.48 -0.35 -0.33 0.00 0.00 177.00 177.17 1uua n PRO 7 N -1.14 2.58 -3.78 5.54 -0.04 -1.26 -5.01 135.00 131.89 1uua n PRO 7 Ca 0.11 0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 64.18 1uua n PRO 7 Cb 0.49 -2.63 -0.14 0.00 -0.04 0.00 0.00 33.50 31.18 1uua n PRO 7 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1uua s TYR 8 N -0.80 2.18 0.00 0.54 5.04 -1.26 -5.00 117.35 118.05 1uua s TYR 8 Ca 0.57 -2.26 0.00 0.00 -2.44 0.00 0.00 57.07 52.93 1uua s TYR 8 Cb -0.50 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 39.80 1uua s TYR 8 CO 0.59 -0.84 0.00 2.41 -1.34 0.00 0.00 175.55 176.37 1uua n THR 9 N 4.16 0.00 0.00 4.34 -1.04 -1.26 -4.80 114.28 115.68 1uua n THR 9 Ca 0.03 0.46 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1uua n THR 9 Cb 0.38 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 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 1.69 2.48 2.67 3.41 0.00 -1.26 -4.54 105.19 109.64 1uua n GLY 10 Ca 0.00 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 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 1.22 2.51 0.05 1.61 -0.02 -1.26 -4.07 135.00 135.04 1uua n PRO 11 Ca 0.00 -1.95 0.00 0.00 -2.02 0.00 0.00 63.50 59.53 1uua n PRO 11 Cb 0.00 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 30.67 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 -2.97 -2.35 -1.28 0.00 4.01 -1.26 -4.87 118.16 109.44 1uua n LYS 13 Ca 0.00 2.04 -0.21 0.00 -0.51 0.00 0.00 58.31 59.63 1uua n LYS 13 Cb 0.00 -4.03 -0.08 0.00 -0.51 0.00 0.00 35.03 30.41 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 0.57 6.26 -3.74 7.82 0.00 -1.02 -4.81 120.51 125.59 1uua n ALA 14 Ca 0.01 -2.51 -0.27 0.00 0.00 0.00 0.00 53.44 50.67 1uua n ALA 14 Cb 0.28 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 1.31 -2.16 -4.37 0.00 1.85 -1.26 -4.95 116.66 107.08 1uua n ARG 15 Ca 0.44 0.21 -0.19 0.00 -1.00 0.00 0.00 57.85 57.32 1uua n ARG 15 Cb 0.66 -4.82 -0.14 0.00 -1.05 0.00 0.00 32.46 27.10 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 -2.88 0.81 -0.33 8.89 1.01 -1.26 -5.07 121.20 122.37 1uua s ILE 16 Ca 0.53 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.63 1uua s ILE 16 Cb -0.30 -0.70 0.09 0.00 0.01 0.00 0.00 42.46 41.56 1uua s ILE 16 CO 0.64 0.14 0.04 -0.63 0.00 0.00 0.00 174.94 175.14 1uua s ILE 17 N -0.41 2.56 0.00 2.92 1.09 -1.26 0.33 121.20 126.43 1uua s ILE 17 Ca 0.02 -2.02 0.00 0.00 -1.10 0.00 0.00 60.65 57.56 1uua s ILE 17 Cb -0.05 -2.73 0.00 0.00 -1.06 0.00 0.00 42.46 38.62 1uua s ILE 17 CO -0.00 -0.44 0.00 0.54 -0.10 0.00 0.00 174.94 174.94 1uua n ARG 18 N 4.41 0.69 -4.37 2.79 1.74 1.15 -4.66 116.66 118.41 1uua n ARG 18 Ca -0.03 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 1uua n ARG 18 Cb 0.42 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.76 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 0.17 1.86 0.26 -1.55 1.51 -0.38 0.90 117.35 120.12 1uua s TYR 19 Ca 0.00 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.37 1uua s TYR 19 Cb 0.00 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1uua s TYR 19 CO 0.00 0.43 0.63 -0.59 -1.11 0.00 0.00 175.55 174.91 1uua s PHE 20 N -2.67 -0.05 -0.32 2.71 -0.71 -0.58 -0.58 117.98 115.77 1uua s PHE 20 Ca 0.23 -0.36 -0.17 0.00 -1.04 0.00 0.00 56.93 55.59 1uua s PHE 20 Cb -0.03 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.31 1uua s PHE 20 CO 0.08 -1.13 0.45 -0.47 -1.34 0.00 0.00 175.22 172.81 1uua s TYR 21 N -3.93 3.21 -1.03 3.49 5.04 -1.26 -0.43 117.35 122.44 1uua s TYR 21 Ca 0.13 0.22 -0.11 0.00 -2.44 0.00 0.00 57.07 54.87 1uua s TYR 21 Cb -0.04 -2.78 0.25 0.00 0.35 0.00 0.00 41.96 39.74 1uua s TYR 21 CO 0.06 -0.43 1.03 -0.80 -1.34 0.00 0.00 175.55 174.07 1uua s ASN 22 N 1.71 7.10 0.00 4.32 -0.87 -0.56 -4.59 114.94 122.05 1uua s ASN 22 Ca 0.17 -3.20 0.00 0.00 -1.57 0.00 0.00 52.86 48.25 1uua s ASN 22 Cb -0.16 -2.23 0.00 0.00 -0.02 0.00 0.00 41.25 38.84 1uua s ASN 22 CO 0.12 -0.45 0.56 0.00 -2.57 0.00 0.00 177.10 174.76 1uua n ALA 23 N 3.50 1.05 -0.07 0.60 0.00 -1.26 0.14 120.51 124.47 1uua n ALA 23 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 1uua n ALA 23 Cb 0.42 -0.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.06 0.67 -0.01 0.00 4.81 -1.26 -4.42 118.16 116.89 1uua n LYS 24 Ca 0.00 0.10 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1uua n LYS 24 Cb 0.04 -1.62 -0.14 0.00 0.02 0.00 0.00 35.03 33.33 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 1.03 0.65 0.00 3.14 0.00 -0.72 -3.49 119.26 119.87 1uua h ALA 25 Ca -0.44 -1.43 0.00 0.00 0.00 0.00 0.00 54.91 53.04 1uua h ALA 25 Cb 2.13 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.47 1uua h ALA 25 CO 0.05 1.49 0.00 0.41 0.00 0.00 0.00 179.25 181.19 1uua n GLY 26 N 1.70 1.95 0.00 0.00 0.00 -0.40 -5.08 105.19 103.35 1uua n GLY 26 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.76 0.99 -0.00 -1.25 -3.53 117.00 108.45 1uua n LEU 27 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1uua n LEU 27 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1uua n LEU 27 CO 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 177.39 177.97 1uua s GLN 29 N -1.13 1.00 0.03 0.00 -0.21 0.43 -4.90 119.66 114.88 1uua s GLN 29 Ca 0.39 -1.34 -0.30 0.00 0.02 0.00 0.00 55.36 54.13 1uua s GLN 29 Cb -0.25 -0.66 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 1uua s GLN 29 CO 0.30 0.10 1.06 0.95 -2.12 0.00 0.00 175.29 175.57 1uua s THR 30 N -2.86 4.55 0.00 -0.19 -4.23 -1.26 -1.53 115.64 110.12 1uua s THR 30 Ca 0.12 1.84 -0.16 0.00 -1.18 0.00 0.00 61.69 62.31 1uua s THR 30 Cb -0.00 -4.18 0.03 0.00 1.34 0.00 0.00 72.50 69.69 1uua s THR 30 CO 0.01 0.15 0.35 0.72 -0.54 0.00 0.00 174.62 175.31 1uua s PHE 31 N 1.00 -0.21 -0.07 3.99 -0.71 0.26 -4.97 117.98 117.26 1uua s PHE 31 Ca 0.54 0.27 -0.30 0.00 -1.04 0.00 0.00 56.93 56.40 1uua s PHE 31 Cb -0.24 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1uua s PHE 31 CO 0.29 -0.45 1.15 0.08 -1.34 0.00 0.00 175.22 174.94 1uua s VAL 32 N -1.71 4.39 0.16 -2.49 1.01 -1.26 0.37 120.40 120.87 1uua s VAL 32 Ca -0.11 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.61 1uua s VAL 32 Cb -0.03 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1uua s VAL 32 CO 0.02 -0.00 0.20 -0.47 0.00 0.00 0.00 175.10 174.85 1uua s TYR 33 N 2.18 3.29 -0.11 5.22 5.04 0.15 -4.80 117.35 128.31 1uua s TYR 33 Ca 0.54 0.03 -0.12 0.00 -2.44 0.00 0.00 57.07 55.08 1uua s TYR 33 Cb -0.23 -1.57 -0.05 0.00 0.35 0.00 0.00 41.96 40.46 1uua s TYR 33 CO 0.21 0.52 -0.25 0.41 -1.34 0.00 0.00 175.55 175.09 1uua n GLY 34 N -0.49 -0.38 1.27 8.97 0.00 -1.26 -2.44 105.19 110.85 1uua n GLY 34 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.01 0.62 0.13 -0.02 0.00 -1.26 -3.96 105.19 102.71 1uua n GLY 35 Ca -0.14 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.30 1.03 0.00 0.00 0.63 -1.26 -5.11 116.66 108.66 1uua n ARG 37 Ca -0.37 -2.83 0.00 0.00 -0.92 0.00 0.00 57.85 53.73 1uua n ARG 37 Cb 1.03 -1.06 0.00 0.00 0.45 0.00 0.00 32.46 32.88 1uua n ARG 37 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1uua n ALA 38 N -0.57 -0.50 -2.42 5.13 0.00 -1.26 -5.00 120.51 115.89 1uua n ALA 38 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1uua n ALA 38 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1uua n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uua n LYS 39 N 0.00 0.77 0.03 0.00 3.00 -1.26 -5.11 118.16 115.58 1uua n LYS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1uua n LYS 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1uua n LYS 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1uua n ARG 40 N 0.00 0.00 -1.91 1.64 1.74 -1.26 -4.93 116.66 111.95 1uua n ARG 40 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1uua n ARG 40 Cb 0.00 -0.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.94 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 -5.38 4.46 -0.18 0.55 3.04 -1.26 -4.80 114.94 111.36 1uua s ASN 41 Ca 0.00 -1.43 -0.24 0.00 0.04 0.00 0.00 52.86 51.23 1uua s ASN 41 Cb 0.00 -2.59 0.06 0.00 -1.54 0.00 0.00 41.25 37.18 1uua s ASN 41 CO 0.00 -3.69 0.63 0.20 -3.04 0.00 0.00 177.10 171.20 1uua s ASN 42 N 7.20 -0.63 0.09 -4.21 -0.87 -1.26 -4.70 114.94 110.55 1uua s ASN 42 Ca 0.73 1.08 0.03 0.00 -1.57 0.00 0.00 52.86 53.13 1uua s ASN 42 Cb -0.02 1.07 -0.03 0.00 -0.02 0.00 0.00 41.25 42.24 1uua s ASN 42 CO 0.15 -0.32 -0.10 -0.36 -2.57 0.00 0.00 177.10 173.90 1uua s PHE 43 N -0.11 1.01 -0.25 2.20 0.40 0.25 -5.01 117.98 116.46 1uua s PHE 43 Ca -0.03 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 1uua s PHE 43 Cb -0.03 -0.56 -0.15 0.00 0.51 0.00 0.00 43.02 42.78 1uua s PHE 43 CO 0.03 -0.02 -0.18 1.17 0.70 0.00 0.00 175.22 176.92 1uua n LYS 44 N 0.74 0.61 -4.23 0.44 3.00 -1.26 -1.25 118.16 116.22 1uua n LYS 44 Ca -0.17 0.29 -0.29 0.00 -0.00 0.00 0.00 58.31 58.13 1uua n LYS 44 Cb 0.57 -1.55 -0.10 0.00 0.00 0.00 0.00 35.03 33.95 1uua n LYS 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uua s SER 45 N -7.14 4.40 0.20 3.14 0.15 -1.26 -4.54 113.70 108.65 1uua s SER 45 Ca -0.35 -0.40 -0.06 0.00 0.70 0.00 0.00 55.95 55.84 1uua s SER 45 Cb 0.12 -0.83 0.13 0.00 -1.71 0.00 0.00 66.02 63.72 1uua s SER 45 CO 0.55 0.17 1.60 0.00 1.20 0.00 0.00 173.24 176.76 1uua h ALA 46 N 3.52 0.81 -0.75 5.45 0.00 -1.98 -2.18 119.26 124.12 1uua h ALA 46 Ca -0.49 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.09 1uua h ALA 46 Cb 1.17 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1uua h ALA 46 CO 0.52 0.65 0.45 1.49 0.00 0.00 0.00 179.25 182.36 1uua h GLU 47 N 0.72 0.81 0.23 0.00 4.81 -1.98 0.19 114.58 119.35 1uua h GLU 47 Ca 0.09 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1uua h GLU 47 Cb 0.77 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1uua h GLU 47 CO 0.06 0.54 -0.11 -0.44 -0.73 0.00 0.00 179.01 178.33 1uua h ASP 48 N 0.83 -0.26 -0.52 1.04 3.32 -1.98 -1.65 116.42 117.21 1uua h ASP 48 Ca 0.33 -0.27 0.15 0.00 0.02 0.00 0.00 57.03 57.26 1uua h ASP 48 Cb 0.15 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1uua h ASP 48 CO -0.16 0.22 0.38 0.00 -1.72 0.00 0.00 179.24 177.96 1uua h MET 50 N 0.00 0.13 -0.11 0.00 2.86 -0.62 0.19 114.93 117.38 1uua h MET 50 Ca 0.25 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1uua h MET 50 Cb 1.01 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.72 1uua h MET 50 CO -0.00 1.00 0.07 0.00 1.06 0.00 0.00 176.91 179.03 1uua h ARG 51 N -0.66 0.12 0.00 1.72 3.08 -0.48 0.65 114.38 118.81 1uua h ARG 51 Ca -0.04 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1uua h ARG 51 Cb 1.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1uua h ARG 51 CO 0.05 0.08 -0.76 1.15 -1.07 0.00 0.00 179.97 179.41 1uua h THR 52 N 0.12 0.41 -2.01 2.04 2.02 -1.24 -3.44 112.91 110.80 1uua h THR 52 Ca 0.04 -1.50 -0.55 0.00 0.77 0.00 0.00 66.41 65.17 1uua h THR 52 Cb 0.02 0.96 -0.39 0.00 -1.74 0.00 0.00 68.15 67.00 1uua h THR 52 CO -0.01 0.14 -1.10 0.00 0.37 0.00 0.00 175.52 174.92 1uua n GLY 54 N 1.22 5.80 0.00 0.00 0.00 0.23 -3.94 105.19 108.50 1uua n GLY 54 Ca 0.22 -2.76 0.00 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.34 2.94 0.68 -0.02 0.00 -1.23 -4.92 105.19 102.30 1uua n GLY 55 Ca 0.36 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.37 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32