#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 -1.74 -1.26 -4.87 117.46 110.83 1uua n PHE 2 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1uua n PHE 2 Cb 0.00 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.00 1uua n PHE 2 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1uua n LEU 4 N 0.00 6.84 -4.14 0.00 7.94 -1.26 -3.95 117.00 122.43 1uua n LEU 4 Ca 0.00 -3.79 -0.20 0.00 -1.11 0.00 0.00 56.01 50.90 1uua n LEU 4 Cb 0.00 -1.08 -0.14 0.00 0.53 0.00 0.00 43.42 42.74 1uua n LEU 4 CO 0.00 1.42 -0.47 -1.61 -1.11 0.00 0.00 177.39 175.63 1uua s GLU 5 N -2.42 0.96 0.61 1.96 8.01 -1.26 -5.05 118.70 121.51 1uua s GLU 5 Ca 0.46 -0.72 -0.16 0.00 0.01 0.00 0.00 54.97 54.56 1uua s GLU 5 Cb 0.35 -0.96 -0.03 0.00 -4.31 0.00 0.00 34.13 29.18 1uua s GLU 5 CO -0.08 0.24 1.09 -2.14 0.01 0.00 0.00 175.26 174.39 1uua s PRO 6 N -1.02 3.10 0.25 0.39 0.02 -1.26 -4.86 135.00 131.62 1uua s PRO 6 Ca 0.02 1.36 -0.31 0.00 0.02 0.00 0.00 61.00 62.09 1uua s PRO 6 Cb -0.07 -1.99 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 1uua s PRO 6 CO 0.01 -1.01 1.56 -0.35 -0.33 0.00 0.00 177.00 176.88 1uua n PRO 7 N -2.05 2.47 -0.42 5.54 -0.04 -1.26 -4.93 135.00 134.31 1uua n PRO 7 Ca 0.10 0.88 0.09 0.00 -0.04 0.00 0.00 63.50 64.53 1uua n PRO 7 Cb 0.52 -2.64 0.28 0.00 -0.04 0.00 0.00 33.50 31.62 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 2.49 1.01 0.02 0.54 9.36 -1.26 -4.66 117.16 124.66 1uua n TYR 8 Ca 0.11 -0.60 0.21 0.00 3.32 0.00 0.00 57.90 60.94 1uua n TYR 8 Cb 0.34 -0.15 0.54 0.00 -0.63 0.00 0.00 39.34 39.44 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 3.16 0.12 0.00 2.97 2.02 -1.91 -3.45 112.91 115.83 1uua h THR 9 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1uua h THR 9 Cb 1.16 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1uua h THR 9 CO 0.12 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1uua n GLY 10 N -1.56 2.21 0.00 2.16 0.00 -1.26 -2.47 105.19 104.27 1uua n GLY 10 Ca 0.12 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 11.85 0.53 -3.10 1.61 -0.02 -1.26 -4.84 135.00 139.77 1uua n PRO 11 Ca 0.00 0.01 -0.38 0.00 -2.02 0.00 0.00 63.50 61.11 1uua n PRO 11 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1uua n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uua s LYS 13 N -1.37 1.06 0.00 0.00 3.01 -1.26 -4.90 119.74 116.28 1uua s LYS 13 Ca 0.36 -1.96 0.00 0.00 -1.01 0.00 0.00 55.97 53.35 1uua s LYS 13 Cb -0.20 -1.84 0.00 0.00 -1.01 0.00 0.00 37.83 34.77 1uua s LYS 13 CO 0.23 -1.26 0.00 0.00 0.51 0.00 0.00 175.35 174.83 1uua n ALA 14 N 3.33 0.00 -1.77 5.17 0.00 -1.26 -5.02 120.51 120.96 1uua n ALA 14 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 1uua n ALA 14 Cb 0.39 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.83 2.47 -3.54 0.00 0.00 -1.26 -4.87 116.66 108.64 1uua n ARG 15 Ca 0.00 -3.67 -0.27 0.00 -0.00 0.00 0.00 57.85 53.91 1uua n ARG 15 Cb 0.00 -1.92 -0.10 0.00 -0.00 0.00 0.00 32.46 30.44 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 -0.95 -0.02 -2.03 8.89 5.41 -1.24 -5.07 119.36 124.36 1uua n ILE 16 Ca 0.31 -4.06 -0.38 0.00 1.00 0.00 0.00 62.75 59.61 1uua n ILE 16 Cb 0.82 -1.88 0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1uua n ILE 16 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1uua s ILE 17 N -0.73 2.60 0.22 1.39 1.09 -1.26 0.14 121.20 124.64 1uua s ILE 17 Ca 0.31 0.46 -0.09 0.00 -1.10 0.00 0.00 60.65 60.23 1uua s ILE 17 Cb 0.03 -3.24 -0.01 0.00 -1.06 0.00 0.00 42.46 38.18 1uua s ILE 17 CO -0.17 0.00 0.35 -0.13 -0.10 0.00 0.00 174.94 174.90 1uua s ARG 18 N -2.73 1.38 0.08 2.79 0.52 1.07 -4.74 118.95 117.31 1uua s ARG 18 Ca 0.66 -1.31 0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1uua s ARG 18 Cb -0.35 0.40 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 1uua s ARG 18 CO 0.42 -0.53 -0.10 0.71 0.02 0.00 0.00 175.30 175.82 1uua s TYR 19 N -4.04 2.75 0.03 -0.53 1.51 0.23 0.11 117.35 117.41 1uua s TYR 19 Ca 0.25 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 56.14 1uua s TYR 19 Cb 0.02 -1.47 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 1uua s TYR 19 CO 0.07 0.40 0.02 -0.59 -1.11 0.00 0.00 175.55 174.34 1uua s PHE 20 N -1.15 0.26 0.26 2.71 -0.71 -0.48 -0.85 117.98 118.03 1uua s PHE 20 Ca 0.20 -0.56 -0.22 0.00 -1.04 0.00 0.00 56.93 55.31 1uua s PHE 20 Cb -0.11 -0.19 -0.09 0.00 -1.21 0.00 0.00 43.02 41.42 1uua s PHE 20 CO 0.12 -0.27 0.80 -0.47 -1.34 0.00 0.00 175.22 174.06 1uua s TYR 21 N -2.12 3.66 -0.14 3.49 5.04 -1.25 0.08 117.35 126.10 1uua s TYR 21 Ca -0.09 1.53 0.01 0.00 -2.44 0.00 0.00 57.07 56.08 1uua s TYR 21 Cb -0.05 -2.73 0.02 0.00 0.35 0.00 0.00 41.96 39.55 1uua s TYR 21 CO -0.03 0.29 -0.17 -0.80 -1.34 0.00 0.00 175.55 173.50 1uua s ASN 22 N -1.64 2.78 0.00 4.32 0.01 -0.83 -4.68 114.94 114.90 1uua s ASN 22 Ca 0.45 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1uua s ASN 22 Cb -0.17 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1uua s ASN 22 CO 0.22 -0.00 0.96 0.00 -1.51 0.00 0.00 177.10 176.77 1uua n ALA 23 N 4.46 2.49 0.01 0.60 0.00 -1.26 -0.39 120.51 126.41 1uua n ALA 23 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.32 1uua n ALA 23 Cb 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.47 0.65 0.00 0.00 4.81 -1.26 -4.55 118.16 117.34 1uua n LYS 24 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1uua n LYS 24 Cb 0.01 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.44 1uua n LYS 24 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uua n ALA 25 N -2.33 0.70 0.00 3.14 0.00 -1.16 -5.04 120.51 115.81 1uua n ALA 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1uua n ALA 25 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1uua n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uua n GLY 26 N 0.43 1.76 3.82 0.00 0.00 0.47 -4.99 105.19 106.68 1uua n GLY 26 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 2.02 0.09 0.99 2.34 -1.26 -3.99 118.68 118.86 1uua s LEU 27 Ca 0.00 0.37 0.02 0.00 0.06 0.00 0.00 54.13 54.58 1uua s LEU 27 Cb 0.00 -2.29 -0.04 0.00 -0.56 0.00 0.00 46.19 43.30 1uua s LEU 27 CO 0.00 -3.24 0.17 0.00 -1.06 0.00 0.00 176.35 172.22 1uua s GLN 29 N -2.61 1.96 -0.18 0.00 2.00 0.11 -4.88 119.66 116.06 1uua s GLN 29 Ca 0.33 -1.54 -0.16 0.00 -2.00 0.00 0.00 55.36 51.99 1uua s GLN 29 Cb -0.12 -1.99 -0.04 0.00 0.80 0.00 0.00 33.01 31.66 1uua s GLN 29 CO 0.26 0.37 0.41 0.95 -0.50 0.00 0.00 175.29 176.77 1uua s THR 30 N -2.24 5.20 -0.07 -0.34 -4.23 -1.26 -1.38 115.64 111.33 1uua s THR 30 Ca 0.29 0.74 -0.07 0.00 -1.18 0.00 0.00 61.69 61.48 1uua s THR 30 Cb -0.06 -3.74 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1uua s THR 30 CO 0.16 0.27 0.19 0.72 -0.54 0.00 0.00 174.62 175.42 1uua s PHE 31 N 1.13 -0.20 -0.62 3.99 -0.71 0.30 -4.95 117.98 116.92 1uua s PHE 31 Ca 0.20 0.48 -0.22 0.00 -1.04 0.00 0.00 56.93 56.35 1uua s PHE 31 Cb -0.15 0.07 0.07 0.00 -1.21 0.00 0.00 43.02 41.80 1uua s PHE 31 CO 0.08 -0.10 0.90 0.08 -1.34 0.00 0.00 175.22 174.84 1uua s VAL 32 N 0.06 4.43 0.47 -2.49 1.01 -1.26 0.35 120.40 122.96 1uua s VAL 32 Ca -0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1uua s VAL 32 Cb -0.01 -4.61 -0.08 0.00 0.00 0.00 0.00 36.38 31.67 1uua s VAL 32 CO 0.00 -1.32 1.07 -0.47 0.00 0.00 0.00 175.10 174.38 1uua s TYR 33 N 3.78 3.01 0.10 5.22 5.04 0.12 -4.40 117.35 130.22 1uua s TYR 33 Ca 0.21 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.45 1uua s TYR 33 Cb -0.17 -3.15 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 1uua s TYR 33 CO 0.11 -0.96 0.09 0.41 -1.34 0.00 0.00 175.55 173.87 1uua n GLY 34 N 0.04 3.61 0.74 8.97 0.00 -1.26 -3.69 105.19 113.60 1uua n GLY 34 Ca 0.08 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.19 0.62 0.13 -0.02 0.00 -1.26 -4.24 105.19 100.23 1uua n GLY 35 Ca 0.02 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.59 0.38 0.06 0.00 0.52 -1.26 -5.11 118.95 110.95 1uua s ARG 37 Ca -0.13 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 54.79 1uua s ARG 37 Cb 0.06 -1.77 -0.06 0.00 0.52 0.00 0.00 34.95 33.70 1uua s ARG 37 CO 0.85 -0.59 0.41 0.00 0.02 0.00 0.00 175.30 175.98 1uua s ALA 38 N 2.00 3.71 0.00 2.13 0.00 -1.26 -4.57 121.76 123.77 1uua s ALA 38 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1uua s ALA 38 Cb -0.16 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1uua s ALA 38 CO -0.08 0.54 0.00 1.17 0.00 0.00 0.00 175.76 177.40 1uua n LYS 39 N 1.10 0.00 0.00 0.00 0.00 -1.26 -5.02 118.16 112.97 1uua n LYS 39 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 1uua n LYS 39 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 -2.93 1.64 1.74 -1.26 -5.04 116.66 110.81 1uua n ARG 40 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1uua n ARG 40 Cb 0.00 -0.39 -0.04 0.00 -1.02 0.00 0.00 32.46 31.00 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 -1.37 6.22 -0.13 0.55 3.04 -1.26 -4.81 114.94 117.17 1uua s ASN 41 Ca 0.00 -0.90 -0.04 0.00 0.04 0.00 0.00 52.86 51.96 1uua s ASN 41 Cb 0.00 -2.39 0.06 0.00 -1.54 0.00 0.00 41.25 37.39 1uua s ASN 41 CO 0.00 -1.28 0.20 0.20 -3.04 0.00 0.00 177.10 173.18 1uua s ASN 42 N 3.35 0.88 -0.20 -4.21 0.01 -1.26 -4.78 114.94 108.73 1uua s ASN 42 Ca 0.21 0.21 -0.04 0.00 -0.71 0.00 0.00 52.86 52.54 1uua s ASN 42 Cb -0.17 0.39 0.07 0.00 0.41 0.00 0.00 41.25 41.95 1uua s ASN 42 CO 0.12 -0.27 0.09 -0.36 -1.51 0.00 0.00 177.10 175.17 1uua s PHE 43 N 2.33 0.41 0.03 2.20 0.40 -0.03 -4.93 117.98 118.38 1uua s PHE 43 Ca 0.04 -0.54 0.30 0.00 -0.60 0.00 0.00 56.93 56.12 1uua s PHE 43 Cb -0.13 -0.82 1.51 0.00 0.51 0.00 0.00 43.02 44.10 1uua s PHE 43 CO -0.08 -0.59 1.91 0.87 0.70 0.00 0.00 175.22 178.02 1uua h LYS 44 N 8.38 0.00 -4.80 0.44 1.79 -1.89 0.67 116.57 121.16 1uua h LYS 44 Ca -0.16 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 57.86 1uua h LYS 44 Cb 1.12 0.00 -0.30 0.00 -1.58 0.00 0.00 32.23 31.46 1uua h LYS 44 CO 0.33 0.00 -0.80 -1.54 -1.08 0.00 0.00 179.45 176.36 1uua s SER 45 N -4.57 1.39 0.19 0.86 1.04 -1.26 -4.80 113.70 106.55 1uua s SER 45 Ca -0.02 -0.22 -0.12 0.00 0.48 0.00 0.00 55.95 56.08 1uua s SER 45 Cb 0.09 -0.33 0.11 0.00 0.10 0.00 0.00 66.02 66.00 1uua s SER 45 CO 0.33 0.10 1.83 0.00 0.98 0.00 0.00 173.24 176.48 1uua h ALA 46 N 6.24 0.84 -0.11 5.32 0.00 -1.97 -1.49 119.26 128.09 1uua h ALA 46 Ca -0.33 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1uua h ALA 46 Cb 1.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1uua h ALA 46 CO 0.49 0.31 -0.45 0.93 0.00 0.00 0.00 179.25 180.53 1uua h GLU 47 N 0.89 -0.47 -0.74 0.00 4.39 -1.97 0.15 114.58 116.84 1uua h GLU 47 Ca 0.24 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 1uua h GLU 47 Cb -0.03 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1uua h GLU 47 CO -0.04 -0.31 0.38 -0.44 -1.16 0.00 0.00 179.01 177.43 1uua h ASP 48 N -0.49 0.93 0.46 1.42 3.32 -1.97 -1.39 116.42 118.71 1uua h ASP 48 Ca 0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1uua h ASP 48 Cb 0.57 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1uua h ASP 48 CO -0.36 0.77 -0.52 0.00 -1.72 0.00 0.00 179.24 177.42 1uua h MET 50 N -0.99 1.23 -0.05 0.00 2.86 -0.66 -2.03 114.93 115.29 1uua h MET 50 Ca -0.06 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1uua h MET 50 Cb 0.87 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1uua h MET 50 CO -0.09 0.87 -0.24 0.00 1.06 0.00 0.00 176.91 178.51 1uua h ARG 51 N 1.24 0.08 0.00 1.72 2.47 -1.01 0.66 114.38 119.55 1uua h ARG 51 Ca 0.32 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.96 1uua h ARG 51 Cb -0.04 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1uua h ARG 51 CO -0.06 0.32 -0.31 1.15 0.56 0.00 0.00 179.97 181.63 1uua h THR 52 N 0.08 1.53 0.00 2.04 2.02 -0.61 -3.42 112.91 114.54 1uua h THR 52 Ca 0.01 -2.27 -0.02 0.00 0.77 0.00 0.00 66.41 64.91 1uua h THR 52 Cb 0.46 3.01 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1uua h THR 52 CO 0.03 0.52 -0.40 0.00 0.37 0.00 0.00 175.52 176.04 1uua n GLY 54 N 1.65 1.28 0.13 0.00 0.00 0.22 -5.06 105.19 103.41 1uua n GLY 54 Ca -0.07 0.23 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.53 0.00 -0.02 0.00 -0.33 -4.56 105.19 99.75 1uua n GLY 55 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32