#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3byb s ARG 3 N 0.00 2.89 0.51 -0.67 0.52 -1.26 -5.09 118.95 115.86 3byb s ARG 3 Ca 0.00 -1.10 -0.22 0.00 -0.52 0.00 0.00 55.73 53.89 3byb s ARG 3 Cb 0.00 -2.55 -0.07 0.00 0.52 0.00 0.00 34.95 32.85 3byb s ARG 3 CO 0.00 0.33 1.04 -2.30 0.02 0.00 0.00 175.30 174.40 3byb n PRO 4 N -1.23 1.24 -0.04 3.54 -0.02 -1.26 -4.89 135.00 132.34 3byb n PRO 4 Ca -0.07 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 61.93 3byb n PRO 4 Cb 0.58 -2.18 0.43 0.00 -0.02 0.00 0.00 33.50 32.31 3byb n PRO 4 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3byb h ASP 5 N 1.12 0.47 0.38 2.55 3.32 -1.99 -2.73 116.42 119.53 3byb h ASP 5 Ca -0.47 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3byb h ASP 5 Cb 1.34 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3byb h ASP 5 CO 0.54 0.33 0.00 2.19 -1.72 0.00 0.00 179.24 180.58 3byb h PHE 6 N 0.55 0.00 -0.01 4.55 -5.15 -1.95 -0.95 116.94 113.99 3byb h PHE 6 Ca 0.20 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.97 3byb h PHE 6 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.29 3byb h PHE 6 CO -0.00 0.00 0.06 0.00 -2.00 0.00 0.00 178.31 176.37 3byb n GLU 8 N -3.11 1.50 -2.84 0.00 -0.58 -0.36 -4.60 120.64 110.65 3byb n GLU 8 Ca -0.03 -1.12 -0.34 0.00 -0.42 0.00 0.00 57.16 55.25 3byb n GLU 8 Cb 0.13 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.45 3byb n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3byb s LEU 9 N -2.27 4.02 0.66 -4.62 1.43 -0.62 -5.01 118.68 112.27 3byb s LEU 9 Ca 0.26 1.68 -0.16 0.00 -1.03 0.00 0.00 54.13 54.88 3byb s LEU 9 Cb 0.19 -4.40 0.00 0.00 0.03 0.00 0.00 46.19 42.02 3byb s LEU 9 CO 0.45 -0.29 1.15 -2.84 0.23 0.00 0.00 176.35 175.05 3byb s PRO 10 N -2.96 2.65 0.41 1.29 0.02 -1.26 -4.91 135.00 130.24 3byb s PRO 10 Ca 0.59 1.57 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 3byb s PRO 10 Cb -0.11 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 3byb s PRO 10 CO 0.15 -1.40 1.26 0.00 -0.33 0.00 0.00 177.00 176.68 3byb n ALA 11 N -2.33 1.21 -3.56 -1.55 0.00 -1.26 -4.91 120.51 108.11 3byb n ALA 11 Ca 0.12 0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 3byb n ALA 11 Cb 0.51 -2.25 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 3byb n ALA 11 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3byb s ASP 12 N -0.51 1.89 0.44 0.00 -1.08 -1.26 -5.00 116.67 111.16 3byb s ASP 12 Ca 0.60 -0.43 0.19 0.00 -0.52 0.00 0.00 52.55 52.39 3byb s ASP 12 Cb -0.52 0.04 1.04 0.00 -1.46 0.00 0.00 42.92 42.02 3byb s ASP 12 CO 0.59 -0.34 1.94 0.74 0.52 0.00 0.00 175.17 178.62 3byb h THR 13 N 6.37 0.94 -1.34 1.71 2.02 -1.96 -3.42 112.91 117.24 3byb h THR 13 Ca -0.16 -0.89 0.15 0.00 0.77 0.00 0.00 66.41 66.28 3byb h THR 13 Cb 1.15 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 3byb h THR 13 CO 0.28 0.23 -0.19 0.61 0.37 0.00 0.00 175.52 176.82 3byb n GLY 14 N -0.59 -2.03 0.26 2.16 0.00 -1.26 -0.35 105.19 103.38 3byb n GLY 14 Ca -0.02 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.77 3byb n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3byb n PRO 15 N -2.19 0.73 -1.88 1.61 -0.04 -1.26 -4.73 135.00 127.24 3byb n PRO 15 Ca 0.00 -0.51 -0.30 0.00 -0.04 0.00 0.00 63.50 62.65 3byb n PRO 15 Cb 0.25 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3byb n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3byb n ARG 17 N -3.14 2.36 -3.14 0.00 1.74 -1.15 -4.52 116.66 108.82 3byb n ARG 17 Ca 0.07 -3.60 -0.18 0.00 -0.77 0.00 0.00 57.85 53.37 3byb n ARG 17 Cb 0.59 -1.74 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3byb n ARG 17 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 3byb n VAL 18 N -0.67 0.00 -3.76 1.55 0.24 -0.79 -5.09 118.33 109.82 3byb n VAL 18 Ca 0.27 -1.50 -0.28 0.00 -2.04 0.00 0.00 64.34 60.79 3byb n VAL 18 Cb 0.89 -0.14 -0.16 0.00 -1.47 0.00 0.00 33.84 32.95 3byb n VAL 18 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3byb s ARG 19 N -3.53 0.77 -0.38 7.34 3.52 -1.26 -4.25 118.95 121.16 3byb s ARG 19 Ca 0.20 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 3byb s ARG 19 Cb -0.02 -2.08 0.11 0.00 -1.56 0.00 0.00 34.95 31.40 3byb s ARG 19 CO 0.13 -0.61 0.11 -0.06 -0.81 0.00 0.00 175.30 174.06 3byb s PHE 20 N 1.81 3.16 0.20 5.12 0.08 -0.30 -5.00 117.98 123.06 3byb s PHE 20 Ca -0.01 -2.78 -0.32 0.00 0.12 0.00 0.00 56.93 53.94 3byb s PHE 20 Cb -0.17 -2.62 -0.12 0.00 -0.57 0.00 0.00 43.02 39.55 3byb s PHE 20 CO -0.08 -0.88 1.71 -2.14 -0.10 0.00 0.00 175.22 173.73 3byb s PRO 21 N 0.74 4.14 0.31 0.24 0.02 -1.26 -0.91 135.00 138.28 3byb s PRO 21 Ca 0.13 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.75 3byb s PRO 21 Cb -0.21 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 3byb s PRO 21 CO -0.09 -0.74 0.32 -1.12 -0.33 0.00 0.00 177.00 175.04 3byb s SER 22 N 1.20 1.21 0.03 2.53 0.01 0.32 -4.84 113.70 114.15 3byb s SER 22 Ca 0.74 -1.61 0.05 0.00 1.31 0.00 0.00 55.95 56.44 3byb s SER 22 Cb -0.49 0.56 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 3byb s SER 22 CO 0.32 -1.10 -0.16 -0.36 0.41 0.00 0.00 173.24 172.36 3byb s PHE 23 N -3.45 1.36 0.10 2.43 0.08 0.82 -1.27 117.98 118.05 3byb s PHE 23 Ca 0.37 -0.34 0.05 0.00 0.12 0.00 0.00 56.93 57.13 3byb s PHE 23 Cb 0.02 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.61 3byb s PHE 23 CO 0.23 0.04 -0.12 1.52 -0.10 0.00 0.00 175.22 176.79 3byb s TYR 24 N -0.74 1.18 -0.10 0.36 -0.85 -0.22 -0.80 117.35 116.18 3byb s TYR 24 Ca 0.04 -0.60 -0.25 0.00 -0.52 0.00 0.00 57.07 55.73 3byb s TYR 24 Cb -0.08 -0.64 -0.03 0.00 0.38 0.00 0.00 41.96 41.60 3byb s TYR 24 CO 0.01 0.05 0.80 -0.47 -1.52 0.00 0.00 175.55 174.42 3byb s TYR 25 N -2.23 3.53 -0.46 -3.49 5.04 -1.26 -0.60 117.35 117.87 3byb s TYR 25 Ca 0.06 1.33 -0.10 0.00 -2.44 0.00 0.00 57.07 55.92 3byb s TYR 25 Cb -0.04 -2.94 0.11 0.00 0.35 0.00 0.00 41.96 39.44 3byb s TYR 25 CO 0.01 -0.06 0.33 1.21 -1.34 0.00 0.00 175.55 175.70 3byb s ASN 26 N 0.98 5.71 0.53 4.32 3.84 -0.15 -4.83 114.94 125.35 3byb s ASN 26 Ca 0.40 -1.80 0.23 0.00 0.21 0.00 0.00 52.86 51.90 3byb s ASN 26 Cb -0.18 -2.02 1.46 0.00 -0.55 0.00 0.00 41.25 39.96 3byb s ASN 26 CO 0.18 -0.66 2.14 -0.65 -2.79 0.00 0.00 177.10 175.31 3byb h PRO 27 N 8.46 0.00 -0.51 0.43 0.11 -1.84 0.35 132.00 139.00 3byb h PRO 27 Ca -0.22 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.80 3byb h PRO 27 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 3byb h PRO 27 CO 0.84 0.06 -0.03 -0.44 -0.21 0.00 0.00 178.00 178.23 3byb h ASP 28 N 0.00 0.86 0.88 -2.05 3.45 -1.94 -2.85 116.42 114.77 3byb h ASP 28 Ca -0.00 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.23 3byb h ASP 28 Cb 0.13 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3byb h ASP 28 CO 0.01 0.94 -0.63 -0.33 -1.57 0.00 0.00 179.24 177.65 3byb h GLU 29 N 0.81 0.00 -4.53 3.56 4.39 -1.82 -3.48 114.58 113.52 3byb h GLU 29 Ca 0.15 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.46 3byb h GLU 29 Cb 0.52 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.19 3byb h GLU 29 CO 0.03 0.00 -0.57 1.63 -1.16 0.00 0.00 179.01 178.94 3byb n LYS 30 N -2.14 -4.10 -3.79 2.33 5.02 0.05 -4.99 118.16 110.54 3byb n LYS 30 Ca 0.03 0.80 -0.10 0.00 -2.02 0.00 0.00 58.31 57.03 3byb n LYS 30 Cb 0.44 -5.60 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 3byb n LYS 30 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3byb s LYS 31 N -5.67 1.03 0.11 1.97 -2.85 -1.17 -4.93 119.74 108.22 3byb s LYS 31 Ca 0.28 -0.90 -0.24 0.00 -1.00 0.00 0.00 55.97 54.11 3byb s LYS 31 Cb -0.13 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 35.98 3byb s LYS 31 CO 0.34 -0.38 0.74 0.00 0.10 0.00 0.00 175.35 176.15 3byb s LEU 33 N -0.74 2.34 0.35 0.00 1.43 0.23 -4.92 118.68 117.36 3byb s LEU 33 Ca 0.35 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.48 3byb s LEU 33 Cb -0.22 -0.47 -0.09 0.00 0.03 0.00 0.00 46.19 45.44 3byb s LEU 33 CO 0.24 -0.14 1.10 -1.61 0.23 0.00 0.00 176.35 176.17 3byb s GLU 34 N -2.21 4.35 0.21 1.70 0.41 -1.26 -1.06 118.70 120.83 3byb s GLU 34 Ca 0.02 1.71 -0.12 0.00 -0.41 0.00 0.00 54.97 56.18 3byb s GLU 34 Cb -0.07 -2.85 -0.00 0.00 -1.78 0.00 0.00 34.13 29.42 3byb s GLU 34 CO 0.02 -0.03 0.40 -0.59 -0.49 0.00 0.00 175.26 174.58 3byb s PHE 35 N -1.39 0.33 -0.24 1.61 -0.12 -0.40 -4.89 117.98 112.88 3byb s PHE 35 Ca 0.52 -0.68 -0.12 0.00 -0.05 0.00 0.00 56.93 56.60 3byb s PHE 35 Cb -0.28 0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 3byb s PHE 35 CO 0.36 -0.87 0.21 0.42 -0.05 0.00 0.00 175.22 175.29 3byb s ILE 36 N -3.98 5.32 -0.10 -4.49 -1.09 -1.26 -0.52 121.20 115.07 3byb s ILE 36 Ca 0.19 0.28 -0.17 0.00 -2.23 0.00 0.00 60.65 58.72 3byb s ILE 36 Cb 0.01 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 3byb s ILE 36 CO 0.04 0.31 0.44 -0.47 -1.23 0.00 0.00 174.94 174.04 3byb s TYR 37 N 1.22 3.54 -1.59 3.97 5.04 -0.09 -4.29 117.35 125.16 3byb s TYR 37 Ca 0.10 0.87 0.30 0.00 -2.44 0.00 0.00 57.07 55.90 3byb s TYR 37 Cb -0.14 -2.48 1.42 0.00 0.35 0.00 0.00 41.96 41.11 3byb s TYR 37 CO 0.06 0.26 1.98 0.41 -1.34 0.00 0.00 175.55 176.92 3byb n GLY 38 N 3.03 -1.09 0.00 8.97 0.00 0.53 -1.14 105.19 115.49 3byb n GLY 38 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3byb n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3byb n GLY 39 N 1.25 2.18 3.17 -0.02 0.00 -1.26 -1.88 105.19 108.63 3byb n GLY 39 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 3byb n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3byb n GLU 41 N -0.05 0.00 0.00 0.00 -0.58 -1.26 -4.28 120.64 114.47 3byb n GLU 41 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3byb n GLU 41 Cb 0.63 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 3byb n GLU 41 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3byb n GLY 42 N 0.00 0.50 3.58 0.62 0.00 -1.26 -4.92 105.19 103.71 3byb n GLY 42 Ca 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3byb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3byb s ASN 43 N -4.00 0.76 0.00 1.61 2.20 -1.26 -5.05 114.94 109.19 3byb s ASN 43 Ca 0.00 -1.44 0.29 0.00 -0.94 0.00 0.00 52.86 50.77 3byb s ASN 43 Cb 0.00 0.73 1.51 0.00 -2.00 0.00 0.00 41.25 41.49 3byb s ASN 43 CO 0.00 -1.44 2.02 0.00 -2.94 0.00 0.00 177.10 174.74 3byb n ALA 44 N -0.58 2.45 -2.05 3.54 0.00 -1.26 -4.19 120.51 118.42 3byb n ALA 44 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 3byb n ALA 44 Cb 0.61 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3byb n ALA 44 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3byb n ASN 45 N -1.23 4.41 -3.15 0.00 5.15 -1.26 -4.74 115.26 114.44 3byb n ASN 45 Ca 0.15 -2.94 0.04 0.00 -0.60 0.00 0.00 54.58 51.24 3byb n ASN 45 Cb 0.21 -1.61 -0.00 0.00 -0.53 0.00 0.00 39.78 37.84 3byb n ASN 45 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3byb s ASN 46 N 2.55 -1.19 0.06 1.20 3.84 -1.25 -4.48 114.94 115.67 3byb s ASN 46 Ca 0.45 0.34 0.06 0.00 0.21 0.00 0.00 52.86 53.92 3byb s ASN 46 Cb 0.11 1.84 -0.03 0.00 -0.55 0.00 0.00 41.25 42.62 3byb s ASN 46 CO -0.04 -0.22 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.53 3byb s PHE 47 N 2.88 1.40 0.18 0.43 0.08 0.02 -4.94 117.98 118.03 3byb s PHE 47 Ca 0.15 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3byb s PHE 47 Cb -0.10 -0.81 0.06 0.00 -0.57 0.00 0.00 43.02 41.60 3byb s PHE 47 CO -0.22 0.08 1.43 0.82 -0.10 0.00 0.00 175.22 177.22 3byb h ILE 48 N 4.35 1.41 -4.06 0.64 2.04 -1.88 0.23 117.51 120.24 3byb h ILE 48 Ca -0.41 -2.26 -0.65 0.00 1.00 0.00 0.00 64.86 62.54 3byb h ILE 48 Cb 1.18 2.21 -0.24 0.00 -0.74 0.00 0.00 36.82 39.24 3byb h ILE 48 CO 0.42 0.67 -0.86 0.42 0.00 0.00 0.00 178.15 178.80 3byb s THR 49 N -3.50 2.03 0.23 -0.27 -4.23 -1.26 -4.70 115.64 103.94 3byb s THR 49 Ca -0.05 -1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 3byb s THR 49 Cb 0.10 -1.78 0.20 0.00 1.34 0.00 0.00 72.50 72.36 3byb s THR 49 CO 0.83 0.16 1.88 0.50 -0.54 0.00 0.00 174.62 177.45 3byb h LYS 50 N 4.33 1.03 -0.86 3.99 3.64 -1.95 -2.44 116.57 124.30 3byb h LYS 50 Ca -0.48 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 3byb h LYS 50 Cb 1.16 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.71 3byb h LYS 50 CO 0.41 0.68 0.53 1.05 -2.27 0.00 0.00 179.45 179.85 3byb h GLU 51 N 1.06 1.17 -0.42 1.90 4.11 -1.99 0.15 114.58 120.56 3byb h GLU 51 Ca 0.33 -0.10 -0.07 0.00 0.07 0.00 0.00 59.36 59.59 3byb h GLU 51 Cb -0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3byb h GLU 51 CO -0.11 0.82 -0.01 1.49 0.07 0.00 0.00 179.01 181.26 3byb h GLU 52 N 1.18 0.75 -0.54 1.06 4.81 -1.94 0.07 114.58 119.98 3byb h GLU 52 Ca 0.31 -0.25 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3byb h GLU 52 Cb -0.06 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.21 3byb h GLU 52 CO -0.06 0.84 0.28 0.00 -0.73 0.00 0.00 179.01 179.34 3byb h GLU 54 N 0.54 1.05 -0.67 0.00 4.39 -0.74 0.37 114.58 119.54 3byb h GLU 54 Ca 0.24 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3byb h GLU 54 Cb 0.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3byb h GLU 54 CO -0.16 1.04 0.33 1.03 -1.16 0.00 0.00 179.01 180.08 3byb h SER 55 N 0.95 0.86 0.21 1.42 0.87 -0.64 -1.75 113.55 115.47 3byb h SER 55 Ca 0.17 -0.12 -0.28 0.00 -1.23 0.00 0.00 61.79 60.33 3byb h SER 55 Cb 0.56 -0.22 0.03 0.00 -0.44 0.00 0.00 62.40 62.33 3byb h SER 55 CO 0.03 0.74 -1.23 0.74 -0.53 0.00 0.00 176.83 176.58 3byb h THR 56 N 0.92 1.36 0.00 2.23 2.02 -1.06 -3.42 112.91 114.96 3byb h THR 56 Ca 0.23 -2.63 -0.05 0.00 0.77 0.00 0.00 66.41 64.72 3byb h THR 56 Cb 0.10 3.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.60 3byb h THR 56 CO -0.03 0.77 -1.46 0.00 0.37 0.00 0.00 175.52 175.18 3byb s ALA 58 N -2.46 3.03 -2.00 0.00 0.00 -0.66 -5.00 121.76 114.67 3byb s ALA 58 Ca -0.03 0.42 0.12 0.00 0.00 0.00 0.00 51.96 52.46 3byb s ALA 58 Cb 0.04 -3.16 0.72 0.00 0.00 0.00 0.00 23.12 20.72 3byb s ALA 58 CO 0.35 0.10 1.15 0.00 0.00 0.00 0.00 175.76 177.36