#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 -0.07 1.24 -1.74 -1.26 -4.72 117.46 110.91 1uua n PHE 2 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.75 1uua n PHE 2 Cb 0.00 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 40.94 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 -4.23 0.00 -4.90 0.00 4.32 -1.26 -4.17 117.00 106.75 1uua n LEU 4 Ca -0.05 0.39 -0.29 0.00 -0.02 0.00 0.00 56.01 56.04 1uua n LEU 4 Cb 0.53 -0.39 -0.04 0.00 -1.62 0.00 0.00 43.42 41.90 1uua n LEU 4 CO 0.46 -0.00 0.17 -1.61 -1.22 0.00 0.00 177.39 175.19 1uua s GLU 5 N -2.79 3.65 0.35 3.23 2.02 -1.19 -4.76 118.70 119.21 1uua s GLU 5 Ca 0.21 0.01 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 1uua s GLU 5 Cb 0.19 -2.68 -0.11 0.00 0.10 0.00 0.00 34.13 31.64 1uua s GLU 5 CO 0.49 0.27 1.39 -1.25 0.02 0.00 0.00 175.26 176.19 1uua s PRO 6 N -3.30 4.25 0.30 0.39 0.04 -1.26 -4.89 135.00 130.52 1uua s PRO 6 Ca 0.44 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.55 1uua s PRO 6 Cb -0.11 -3.03 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 1uua s PRO 6 CO 0.28 -0.35 1.51 -0.35 0.04 0.00 0.00 177.00 178.13 1uua n PRO 7 N 0.76 2.53 -3.31 0.56 -0.04 -1.26 -4.97 135.00 129.27 1uua n PRO 7 Ca 0.01 0.90 -0.47 0.00 -0.04 0.00 0.00 63.50 63.90 1uua n PRO 7 Cb 0.41 -2.63 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 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 -0.33 3.78 -0.11 0.54 5.04 -1.26 -4.85 117.35 120.16 1uua s TYR 8 Ca 0.62 -2.03 -0.10 0.00 -2.44 0.00 0.00 57.07 53.12 1uua s TYR 8 Cb -0.53 -3.85 -0.03 0.00 0.35 0.00 0.00 41.96 37.91 1uua s TYR 8 CO 0.53 -1.01 -0.19 2.41 -1.34 0.00 0.00 175.55 175.95 1uua n THR 9 N 3.93 0.97 -1.55 4.34 -1.04 -1.26 -4.90 114.28 114.77 1uua n THR 9 Ca 0.15 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 1uua n THR 9 Cb 0.46 -2.07 0.00 0.00 -1.82 0.00 0.00 70.33 66.90 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 1.54 -2.39 0.39 3.41 0.00 -1.26 -4.25 105.19 102.64 1uua n GLY 10 Ca -0.08 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.38 0.85 -5.15 1.61 -0.02 -1.26 -4.75 135.00 125.90 1uua n PRO 11 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1uua n PRO 11 Cb 0.00 -1.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 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 0.10 0.75 -0.49 0.00 3.01 -1.26 -4.70 119.74 117.15 1uua s LYS 13 Ca -0.10 -1.68 -0.07 0.00 -1.01 0.00 0.00 55.97 53.10 1uua s LYS 13 Cb -0.16 -1.44 -0.21 0.00 -1.01 0.00 0.00 37.83 35.02 1uua s LYS 13 CO 0.06 -1.27 3.41 0.00 0.51 0.00 0.00 175.35 178.06 1uua n ALA 14 N 3.55 6.74 -3.71 5.17 0.00 -1.26 -4.73 120.51 126.26 1uua n ALA 14 Ca 0.18 -2.37 -0.26 0.00 0.00 0.00 0.00 53.44 50.99 1uua n ALA 14 Cb 0.41 -2.63 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 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 2.77 -2.01 -3.79 0.00 1.85 -1.26 -4.85 116.66 109.37 1uua n ARG 15 Ca 0.54 0.17 -0.22 0.00 -1.00 0.00 0.00 57.85 57.35 1uua n ARG 15 Cb 0.71 -4.76 -0.17 0.00 -1.05 0.00 0.00 32.46 27.18 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 -2.82 0.28 -0.28 8.89 1.01 -1.26 -5.07 121.20 121.94 1uua s ILE 16 Ca 0.50 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.34 1uua s ILE 16 Cb -0.29 -0.44 0.07 0.00 0.01 0.00 0.00 42.46 41.81 1uua s ILE 16 CO 0.62 0.23 -0.04 -0.63 0.00 0.00 0.00 174.94 175.12 1uua s ILE 17 N 1.84 1.99 0.00 2.92 1.09 -1.26 0.60 121.20 128.39 1uua s ILE 17 Ca 0.02 -1.75 0.00 0.00 -1.10 0.00 0.00 60.65 57.82 1uua s ILE 17 Cb -0.12 -2.27 0.00 0.00 -1.06 0.00 0.00 42.46 39.01 1uua s ILE 17 CO -0.04 -0.26 0.00 0.54 -0.10 0.00 0.00 174.94 175.08 1uua n ARG 18 N 4.45 1.18 -3.86 2.79 1.74 1.27 -4.60 116.66 119.63 1uua n ARG 18 Ca -0.07 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.72 1uua n ARG 18 Cb 0.42 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.70 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 0.18 1.65 0.26 -1.55 1.51 0.23 -0.02 117.35 119.62 1uua s TYR 19 Ca 0.00 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 54.97 1uua s TYR 19 Cb 0.00 -1.28 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 1uua s TYR 19 CO 0.00 -0.63 0.25 1.97 -1.11 0.00 0.00 175.55 176.03 1uua n PHE 20 N 4.88 -1.56 -4.65 2.71 -1.74 -0.39 -1.47 117.46 115.24 1uua n PHE 20 Ca -0.11 -1.07 -0.24 0.00 -0.56 0.00 0.00 57.45 55.47 1uua n PHE 20 Cb 0.47 -0.23 -0.16 0.00 1.52 0.00 0.00 39.48 41.08 1uua n PHE 20 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 1uua s TYR 21 N -1.11 1.43 -0.39 2.97 5.04 -1.26 0.52 117.35 124.55 1uua s TYR 21 Ca 0.19 -0.41 -0.09 0.00 -2.44 0.00 0.00 57.07 54.32 1uua s TYR 21 Cb -0.02 -0.99 0.06 0.00 0.35 0.00 0.00 41.96 41.36 1uua s TYR 21 CO 0.12 -0.16 0.21 -0.80 -1.34 0.00 0.00 175.55 173.59 1uua s ASN 22 N 0.18 5.61 0.00 4.32 -0.87 -0.82 -4.69 114.94 118.66 1uua s ASN 22 Ca -0.05 -1.28 0.11 0.00 -1.57 0.00 0.00 52.86 50.07 1uua s ASN 22 Cb -0.11 -1.98 0.63 0.00 -0.02 0.00 0.00 41.25 39.77 1uua s ASN 22 CO 0.02 -0.45 1.19 0.00 -2.57 0.00 0.00 177.10 175.28 1uua n ALA 23 N 4.92 1.81 -0.07 0.60 0.00 -1.26 -0.95 120.51 125.55 1uua n ALA 23 Ca -0.11 -0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1uua n ALA 23 Cb 0.44 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.14 0.68 -0.04 0.00 4.81 -1.26 -4.57 118.16 116.65 1uua n LYS 24 Ca 0.07 0.14 -0.21 0.00 -0.87 0.00 0.00 58.31 57.44 1uua n LYS 24 Cb 0.06 -1.61 -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 n ALA 25 N -2.89 0.97 -0.94 3.14 0.00 -1.01 -5.04 120.51 114.74 1uua n ALA 25 Ca -0.33 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1uua n ALA 25 Cb 1.07 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 1.93 0.56 3.55 0.00 0.00 -0.13 -5.09 105.19 106.01 1uua n GLY 26 Ca -0.35 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.09 -0.34 -0.40 0.99 0.05 -1.25 -5.05 118.68 111.59 1uua s LEU 27 Ca 0.00 -0.09 -0.18 0.00 0.05 0.00 0.00 54.13 53.91 1uua s LEU 27 Cb 0.00 2.11 0.01 0.00 -2.05 0.00 0.00 46.19 46.26 1uua s LEU 27 CO 0.00 -0.72 0.50 0.00 -0.55 0.00 0.00 176.35 175.58 1uua n GLN 29 N 5.78 1.25 -4.57 0.00 -0.06 0.18 -4.83 117.38 115.14 1uua n GLN 29 Ca -0.05 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.71 1uua n GLN 29 Cb 0.48 0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.50 1uua n GLN 29 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 1uua s THR 30 N 0.40 1.07 0.04 1.69 -4.23 -1.26 -1.26 115.64 112.09 1uua s THR 30 Ca 0.00 -0.49 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1uua s THR 30 Cb 0.00 -0.96 -0.02 0.00 1.34 0.00 0.00 72.50 72.86 1uua s THR 30 CO 0.00 0.33 -0.10 0.72 -0.54 0.00 0.00 174.62 175.03 1uua s PHE 31 N 0.35 0.85 -0.06 3.99 -0.71 0.98 -4.81 117.98 118.56 1uua s PHE 31 Ca -0.08 -0.42 -0.30 0.00 -1.04 0.00 0.00 56.93 55.09 1uua s PHE 31 Cb -0.12 -0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 41.16 1uua s PHE 31 CO 0.02 -0.03 1.13 0.08 -1.34 0.00 0.00 175.22 175.08 1uua s VAL 32 N -1.14 4.44 -0.08 -2.49 1.01 -1.25 0.39 120.40 121.28 1uua s VAL 32 Ca -0.05 1.75 0.02 0.00 0.00 0.00 0.00 61.98 63.70 1uua s VAL 32 Cb -0.09 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.18 1uua s VAL 32 CO 0.01 0.01 -0.15 -0.47 0.00 0.00 0.00 175.10 174.50 1uua s TYR 33 N 2.03 1.75 0.04 5.22 5.04 0.20 -4.53 117.35 127.09 1uua s TYR 33 Ca 0.53 -0.69 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1uua s TYR 33 Cb -0.23 -1.25 -0.00 0.00 0.35 0.00 0.00 41.96 40.83 1uua s TYR 33 CO 0.21 -0.34 0.01 0.41 -1.34 0.00 0.00 175.55 174.51 1uua n GLY 34 N 3.83 4.06 0.01 8.97 0.00 -1.26 -4.23 105.19 116.57 1uua n GLY 34 Ca -0.21 -2.01 0.12 0.00 0.00 0.00 0.00 46.02 43.93 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 2.66 -1.26 0.10 -0.02 0.00 -1.26 -3.96 105.19 101.45 1uua n GLY 35 Ca -0.01 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.64 1.56 -0.30 0.00 0.52 -1.25 -5.09 118.95 111.74 1uua s ARG 37 Ca -0.06 -2.47 -0.18 0.00 -0.52 0.00 0.00 55.73 52.50 1uua s ARG 37 Cb 0.07 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 1uua s ARG 37 CO 0.86 -1.27 0.51 0.00 0.02 0.00 0.00 175.30 175.42 1uua s ALA 38 N -0.32 3.53 0.17 2.13 0.00 -1.26 -4.42 121.76 121.60 1uua s ALA 38 Ca 0.24 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 1uua s ALA 38 Cb -0.10 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1uua s ALA 38 CO -0.11 -0.96 0.23 1.63 0.00 0.00 0.00 175.76 176.54 1uua n LYS 39 N 5.64 0.33 -3.63 0.00 4.76 -1.26 -5.11 118.16 118.88 1uua n LYS 39 Ca -0.05 -1.45 -0.39 0.00 -2.87 0.00 0.00 58.31 53.55 1uua n LYS 39 Cb 0.49 1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 34.96 1uua n LYS 39 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1uua s ARG 40 N -2.45 2.80 -0.02 1.97 0.52 -1.26 -4.93 118.95 115.58 1uua s ARG 40 Ca 0.16 -2.53 -0.01 0.00 -0.52 0.00 0.00 55.73 52.82 1uua s ARG 40 Cb -0.00 -3.89 -0.00 0.00 0.52 0.00 0.00 34.95 31.58 1uua s ARG 40 CO 0.11 -1.20 -0.02 -0.97 0.02 0.00 0.00 175.30 173.24 1uua h ASN 41 N 7.17 0.00 0.00 0.23 -0.00 -1.95 -3.45 115.58 117.58 1uua h ASN 41 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1uua h ASN 41 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.29 1uua h ASN 41 CO 0.72 0.09 0.00 -3.20 -0.00 0.00 0.00 177.43 175.05 1uua n ASN 42 N -2.52 0.00 -3.91 1.15 2.85 -1.26 -3.52 115.26 108.04 1uua n ASN 42 Ca -0.01 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 1uua n ASN 42 Cb 0.03 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.00 1uua n ASN 42 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1uua s PHE 43 N 0.45 0.11 -0.12 1.20 0.08 -0.54 -4.96 117.98 114.20 1uua s PHE 43 Ca 0.00 -0.50 0.19 0.00 0.12 0.00 0.00 56.93 56.74 1uua s PHE 43 Cb 0.00 0.37 -0.21 0.00 -0.57 0.00 0.00 43.02 42.61 1uua s PHE 43 CO 0.00 -1.04 0.55 1.17 -0.10 0.00 0.00 175.22 175.79 1uua n LYS 44 N -0.39 0.65 -4.24 0.44 0.00 -1.26 0.78 118.16 114.13 1uua n LYS 44 Ca -0.04 0.03 -0.27 0.00 0.00 0.00 0.00 58.31 58.02 1uua n LYS 44 Cb 0.61 -1.65 -0.09 0.00 0.00 0.00 0.00 35.03 33.91 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 -5.28 4.51 -0.02 3.14 0.15 -1.26 -4.22 113.70 110.72 1uua s SER 45 Ca -0.06 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 55.87 1uua s SER 45 Cb 0.10 -0.87 -0.20 0.00 -1.71 0.00 0.00 66.02 63.33 1uua s SER 45 CO 0.84 0.11 1.24 0.00 1.20 0.00 0.00 173.24 176.64 1uua h ALA 46 N 2.95 0.02 -0.67 5.45 0.00 -1.94 -2.06 119.26 123.01 1uua h ALA 46 Ca -0.47 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.27 1uua h ALA 46 Cb 1.20 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1uua h ALA 46 CO 0.56 -0.21 0.44 1.49 0.00 0.00 0.00 179.25 181.53 1uua h GLU 47 N -0.47 0.51 0.04 0.00 4.81 -1.98 0.24 114.58 117.73 1uua h GLU 47 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1uua h GLU 47 Cb 0.54 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1uua h GLU 47 CO 0.00 0.34 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.16 1uua h ASP 48 N 0.53 -0.04 -0.04 1.04 3.32 -1.99 -0.99 116.42 118.24 1uua h ASP 48 Ca 0.31 -0.57 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1uua h ASP 48 Cb 0.51 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 1uua h ASP 48 CO -0.10 0.57 0.01 0.00 -1.72 0.00 0.00 179.24 178.00 1uua h MET 50 N 0.11 0.04 0.00 0.00 2.86 -0.55 0.58 114.93 117.97 1uua h MET 50 Ca 0.03 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1uua h MET 50 Cb 0.06 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1uua h MET 50 CO -0.00 0.82 -0.05 0.07 1.06 0.00 0.00 176.91 178.81 1uua h ARG 51 N -0.71 0.00 0.00 1.72 0.11 -0.94 0.50 114.38 115.06 1uua h ARG 51 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1uua h ARG 51 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1uua h ARG 51 CO 0.01 0.05 -0.50 2.41 0.10 0.00 0.00 179.97 182.05 1uua n THR 52 N -4.19 1.15 0.03 0.08 -1.04 -0.73 -4.49 114.28 105.10 1uua n THR 52 Ca -0.03 0.26 0.04 0.00 -2.04 0.00 0.00 64.05 62.28 1uua n THR 52 Cb 0.14 -2.21 -0.08 0.00 -1.82 0.00 0.00 70.33 66.36 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 1.35 4.12 0.00 0.00 0.00 0.18 -4.52 105.19 106.31 1uua n GLY 54 Ca -0.08 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 0.90 -1.53 3.79 -0.02 0.00 -1.22 -4.69 105.19 102.41 1uua n GLY 55 Ca 0.42 0.56 0.00 0.00 0.00 0.00 0.00 46.02 47.00 1uua n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32