#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2o s LYS 2 N 0.00 3.72 0.45 0.03 -0.14 -1.26 -4.95 119.74 117.59 1b2o s LYS 2 Ca 0.00 0.15 -0.21 0.00 -1.36 0.00 0.00 55.97 54.55 1b2o s LYS 2 Cb 0.00 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.40 1b2o s LYS 2 CO 0.00 0.29 1.01 0.15 -0.76 0.00 0.00 175.35 176.04 1b2o s LYS 3 N -3.08 4.02 -0.06 1.68 1.02 -1.26 -4.62 119.74 117.44 1b2o s LYS 3 Ca 0.46 1.32 0.04 0.00 0.02 0.00 0.00 55.97 57.80 1b2o s LYS 3 Cb -0.11 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1b2o s LYS 3 CO 0.25 -0.23 -0.17 0.71 -0.92 0.00 0.00 175.35 174.98 1b2o s TYR 4 N -1.97 1.81 -0.06 3.18 1.51 -0.93 -0.52 117.35 120.38 1b2o s TYR 4 Ca 0.63 -0.61 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1b2o s TYR 4 Cb -0.15 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.42 1b2o s TYR 4 CO 0.19 -0.25 -0.02 -0.08 -1.11 0.00 0.00 175.55 174.28 1b2o s THR 5 N 0.28 4.08 0.40 -0.71 -1.32 0.19 0.46 115.64 119.02 1b2o s THR 5 Ca -0.10 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.70 1b2o s THR 5 Cb -0.14 -2.73 -0.09 0.00 -1.51 0.00 0.00 72.50 68.03 1b2o s THR 5 CO 0.04 0.54 1.24 0.00 -2.21 0.00 0.00 174.62 174.23 1b2o n THR 7 N 0.16 0.00 0.10 0.00 -2.24 -0.33 -4.11 114.28 107.86 1b2o n THR 7 Ca 0.04 -0.09 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 1b2o n THR 7 Cb 0.45 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1b2o n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b2o n VAL 8 N -0.89 0.00 -4.08 2.28 0.31 -1.26 -5.05 118.33 109.63 1b2o n VAL 8 Ca 0.10 -0.47 -0.15 0.00 -0.01 0.00 0.00 64.34 63.81 1b2o n VAL 8 Cb 0.34 1.02 -0.03 0.00 -0.91 0.00 0.00 33.84 34.26 1b2o n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b2o n VAL 10 N -0.60 0.27 -1.61 0.00 0.24 -1.26 -4.41 118.33 110.96 1b2o n VAL 10 Ca 0.01 -0.12 -0.45 0.00 -2.04 0.00 0.00 64.34 61.73 1b2o n VAL 10 Cb 0.61 -0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 32.42 1b2o n VAL 10 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b2o n TYR 11 N -1.83 1.48 -4.51 6.34 9.36 -1.26 -4.82 117.16 121.91 1b2o n TYR 11 Ca 0.06 0.65 -0.28 0.00 3.32 0.00 0.00 57.90 61.65 1b2o n TYR 11 Cb 0.38 -2.30 -0.17 0.00 -0.63 0.00 0.00 39.34 36.62 1b2o n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1b2o s ILE 12 N -0.71 1.49 -0.12 2.97 1.01 -1.26 -1.18 121.20 123.40 1b2o s ILE 12 Ca 0.63 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 60.35 1b2o s ILE 12 Cb -0.72 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 1b2o s ILE 12 CO 0.57 0.44 0.95 -0.47 0.00 0.00 0.00 174.94 176.43 1b2o s TYR 13 N 0.92 3.49 -0.22 3.97 5.04 0.17 -4.96 117.35 125.77 1b2o s TYR 13 Ca -0.08 1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 56.04 1b2o s TYR 13 Cb -0.15 -3.13 0.02 0.00 0.35 0.00 0.00 41.96 39.05 1b2o s TYR 13 CO -0.01 -0.22 -0.11 1.21 -1.34 0.00 0.00 175.55 175.08 1b2o s ASN 14 N 1.10 3.90 0.42 4.32 2.47 -1.26 -2.19 114.94 123.70 1b2o s ASN 14 Ca 0.45 -0.76 0.15 0.00 0.42 0.00 0.00 52.86 53.12 1b2o s ASN 14 Cb -0.18 -1.60 1.03 0.00 -1.45 0.00 0.00 41.25 39.05 1b2o s ASN 14 CO 0.16 -0.07 1.92 -0.65 -3.72 0.00 0.00 177.10 174.74 1b2o h PRO 15 N 7.98 0.43 -0.47 0.43 0.11 -1.82 -0.25 132.00 138.41 1b2o h PRO 15 Ca -0.38 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 1b2o h PRO 15 Cb 1.12 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1b2o h PRO 15 CO 0.59 0.28 0.12 1.49 -0.21 0.00 0.00 178.00 180.28 1b2o h GLU 16 N 0.44 0.70 0.01 1.05 4.57 -1.94 0.59 114.58 120.01 1b2o h GLU 16 Ca 0.37 -0.13 -0.27 0.00 -1.18 0.00 0.00 59.36 58.16 1b2o h GLU 16 Cb 0.82 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 29.26 1b2o h GLU 16 CO -0.12 0.63 -1.44 -0.44 -1.18 0.00 0.00 179.01 176.46 1b2o h ASP 17 N 0.69 0.05 0.00 1.04 3.32 -1.71 -3.38 116.42 116.42 1b2o h ASP 17 Ca 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1b2o h ASP 17 Cb 0.24 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1b2o h ASP 17 CO -0.00 1.06 0.00 0.61 -1.72 0.00 0.00 179.24 179.19 1b2o n GLY 18 N 1.50 1.00 2.67 2.75 0.00 -0.19 -4.01 105.19 108.91 1b2o n GLY 18 Ca -0.11 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 1b2o n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b2o n ASP 19 N -1.07 -2.41 0.20 1.61 2.03 -0.09 -4.72 116.55 112.10 1b2o n ASP 19 Ca 0.00 -3.27 0.05 0.00 0.52 0.00 0.00 54.79 52.09 1b2o n ASP 19 Cb 0.00 1.50 0.47 0.00 -0.72 0.00 0.00 41.12 42.37 1b2o n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1b2o h PRO 20 N 3.89 0.05 0.00 -0.67 0.13 -1.68 -0.79 132.00 132.92 1b2o h PRO 20 Ca -0.11 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1b2o h PRO 20 Cb 1.02 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1b2o h PRO 20 CO 0.33 0.23 -0.09 -0.44 -0.23 0.00 0.00 178.00 177.80 1b2o h ASP 21 N 0.04 0.00 -0.38 1.44 3.32 -1.97 -2.31 116.42 116.56 1b2o h ASP 21 Ca 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1b2o h ASP 21 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1b2o h ASP 21 CO 0.02 0.09 0.01 0.59 -1.72 0.00 0.00 179.24 178.23 1b2o n ASN 22 N -3.36 4.46 0.00 6.45 3.02 -0.63 -4.97 115.26 120.23 1b2o n ASN 22 Ca -0.01 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 1b2o n ASN 22 Cb 0.26 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1b2o n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b2o n GLY 23 N -0.18 0.61 3.33 7.41 0.00 -0.87 -5.03 105.19 110.46 1b2o n GLY 23 Ca 0.25 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1b2o n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2o s VAL 24 N -2.00 4.18 0.68 1.61 1.01 -0.40 -4.95 120.40 120.53 1b2o s VAL 24 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1b2o s VAL 24 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1b2o s VAL 24 CO 0.00 -0.20 1.13 0.20 0.00 0.00 0.00 175.10 176.24 1b2o s ASN 25 N 1.48 4.85 0.42 3.32 0.01 -1.26 -0.91 114.94 122.84 1b2o s ASN 25 Ca 0.00 2.09 -0.24 0.00 -0.71 0.00 0.00 52.86 54.01 1b2o s ASN 25 Cb -0.19 -2.56 -0.11 0.00 0.41 0.00 0.00 41.25 38.79 1b2o s ASN 25 CO 0.05 -1.81 0.83 -2.65 -1.51 0.00 0.00 177.10 172.01 1b2o n PRO 26 N -2.51 1.01 -0.88 -0.60 -0.02 -1.26 -2.71 135.00 128.03 1b2o n PRO 26 Ca 0.11 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1b2o n PRO 26 Cb 0.52 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1b2o n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2o n GLY 27 N 1.43 0.46 3.67 -1.23 0.00 0.21 -4.90 105.19 104.83 1b2o n GLY 27 Ca 0.11 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1b2o n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b2o s THR 28 N -2.00 5.31 0.47 2.61 2.01 -1.10 -5.01 115.64 117.94 1b2o s THR 28 Ca 0.00 0.35 -0.23 0.00 0.31 0.00 0.00 61.69 62.13 1b2o s THR 28 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.87 1b2o s THR 28 CO 0.00 0.32 1.19 -0.62 -0.69 0.00 0.00 174.62 174.82 1b2o s ASP 29 N 1.00 6.05 0.29 3.53 -1.08 -1.26 -4.55 116.67 120.64 1b2o s ASP 29 Ca 0.11 2.36 0.03 0.00 -0.52 0.00 0.00 52.55 54.54 1b2o s ASP 29 Cb -0.14 -2.61 0.62 0.00 -1.46 0.00 0.00 42.92 39.33 1b2o s ASP 29 CO 0.05 -1.01 1.83 0.15 0.52 0.00 0.00 175.17 176.71 1b2o h PHE 30 N 1.96 1.10 0.00 -5.34 3.57 -1.97 -1.07 116.94 115.19 1b2o h PHE 30 Ca -0.50 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1b2o h PHE 30 Cb 1.25 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 1b2o h PHE 30 CO 0.52 0.40 -0.10 1.57 -2.23 0.00 0.00 178.31 178.47 1b2o h LYS 31 N 0.93 0.00 -0.01 1.11 2.10 -1.98 -2.20 116.57 116.51 1b2o h LYS 31 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 1b2o h LYS 31 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1b2o h LYS 31 CO -0.28 0.10 -0.08 -0.25 -2.00 0.00 0.00 179.45 176.93 1b2o n ASP 32 N -4.20 1.14 -4.77 7.07 8.00 -0.41 -4.90 116.55 118.48 1b2o n ASP 32 Ca -0.03 -1.19 -0.40 0.00 0.71 0.00 0.00 54.79 53.88 1b2o n ASP 32 Cb 0.18 0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 1b2o n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1b2o s ILE 33 N -2.19 2.56 0.50 0.53 1.01 -0.83 -4.95 121.20 117.83 1b2o s ILE 33 Ca 0.34 0.52 -0.21 0.00 0.00 0.00 0.00 60.65 61.30 1b2o s ILE 33 Cb 0.20 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 39.27 1b2o s ILE 33 CO 0.40 0.09 0.85 -2.65 0.00 0.00 0.00 174.94 173.64 1b2o n PRO 34 N 0.30 0.97 0.27 2.79 -0.02 -1.26 -4.88 135.00 133.17 1b2o n PRO 34 Ca 0.03 0.36 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 1b2o n PRO 34 Cb 0.43 -1.95 0.76 0.00 -0.02 0.00 0.00 33.50 32.71 1b2o n PRO 34 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b2o h ASP 35 N 0.90 0.00 -0.54 2.55 3.32 -1.96 -1.59 116.42 119.10 1b2o h ASP 35 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b2o h ASP 35 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1b2o h ASP 35 CO 0.53 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 1b2o n ASP 36 N -4.24 3.21 -4.78 6.45 5.75 -1.26 -4.77 116.55 116.91 1b2o n ASP 36 Ca -0.03 -2.10 -0.36 0.00 -0.01 0.00 0.00 54.79 52.30 1b2o n ASP 36 Cb 0.10 -0.41 -0.01 0.00 -1.03 0.00 0.00 41.12 39.76 1b2o n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1b2o s TRP 37 N -1.40 2.87 0.19 2.11 -0.00 -0.60 -5.05 118.94 117.06 1b2o s TRP 37 Ca 0.38 1.56 0.04 0.00 -0.00 0.00 0.00 56.10 58.08 1b2o s TRP 37 Cb 0.21 -3.27 -0.05 0.00 -0.00 0.00 0.00 33.47 30.36 1b2o s TRP 37 CO 0.24 -1.33 -0.05 0.14 -0.00 0.00 0.00 176.95 175.94 1b2o s VAL 38 N -1.70 1.13 0.09 5.86 -7.23 -1.26 -4.00 120.40 113.29 1b2o s VAL 38 Ca 0.67 -2.05 -0.34 0.00 -1.81 0.00 0.00 61.98 58.44 1b2o s VAL 38 Cb -0.24 -2.11 -0.13 0.00 0.56 0.00 0.00 36.38 34.46 1b2o s VAL 38 CO 0.29 -0.53 1.67 0.00 -0.31 0.00 0.00 175.10 176.22 1b2o h PRO 40 N 6.90 0.00 0.03 0.00 0.11 -1.97 0.10 132.00 137.18 1b2o h PRO 40 Ca -0.46 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.28 1b2o h PRO 40 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1b2o h PRO 40 CO 0.91 0.08 -2.10 -0.11 -0.21 0.00 0.00 178.00 176.57 1b2o n LEU 41 N -3.30 2.40 -0.12 2.35 7.94 -1.26 -4.72 117.00 120.29 1b2o n LEU 41 Ca -0.01 0.19 0.02 0.00 -1.11 0.00 0.00 56.01 55.10 1b2o n LEU 41 Cb 0.28 -0.96 0.01 0.00 0.53 0.00 0.00 43.42 43.28 1b2o n LEU 41 CO 0.28 0.69 0.29 0.00 -1.11 0.00 0.00 177.39 177.54 1b2o n ALA 43 N 0.13 -0.15 -2.00 0.00 0.00 0.35 -4.95 120.51 113.89 1b2o n ALA 43 Ca 0.02 0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1b2o n ALA 43 Cb 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1b2o n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1b2o s VAL 44 N -2.22 3.84 0.89 0.00 -7.23 -1.26 -4.56 120.40 109.85 1b2o s VAL 44 Ca 0.00 0.30 -0.10 0.00 -1.81 0.00 0.00 61.98 60.37 1b2o s VAL 44 Cb 0.00 -3.55 0.18 0.00 0.56 0.00 0.00 36.38 33.57 1b2o s VAL 44 CO 0.00 -0.64 1.22 -0.83 -0.31 0.00 0.00 175.10 174.53 1b2o s GLY 45 N -4.29 1.78 0.54 2.32 0.00 -1.26 -0.78 107.32 105.63 1b2o s GLY 45 Ca 0.55 -1.47 0.21 0.00 0.00 0.00 0.00 44.72 44.01 1b2o s GLY 45 CO 0.49 -0.74 2.18 0.50 0.00 0.00 0.00 173.10 175.52 1b2o h LYS 46 N -1.28 0.00 0.00 2.90 1.57 -1.86 -1.89 116.57 116.01 1b2o h LYS 46 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 1b2o h LYS 46 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1b2o h LYS 46 CO 0.36 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 178.85 1b2o n ASP 47 N -4.29 0.50 -1.61 0.86 5.75 -1.26 -1.77 116.55 114.73 1b2o n ASP 47 Ca -0.03 0.69 0.10 0.00 -0.01 0.00 0.00 54.79 55.54 1b2o n ASP 47 Cb 0.10 -0.77 0.36 0.00 -1.03 0.00 0.00 41.12 39.78 1b2o n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b2o n GLN 48 N -2.13 3.77 -3.99 0.11 1.13 -0.71 -4.96 117.38 110.60 1b2o n GLN 48 Ca 0.00 -2.91 -0.24 0.00 -1.94 0.00 0.00 57.00 51.91 1b2o n GLN 48 Cb 0.10 -1.90 -0.03 0.00 0.11 0.00 0.00 30.24 28.51 1b2o n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 1b2o s PHE 49 N -1.85 3.39 0.05 1.08 0.40 -0.73 -1.18 117.98 119.14 1b2o s PHE 49 Ca 0.52 0.04 0.04 0.00 -0.60 0.00 0.00 56.93 56.92 1b2o s PHE 49 Cb 0.33 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 1b2o s PHE 49 CO 0.25 0.49 -0.11 -1.21 0.70 0.00 0.00 175.22 175.34 1b2o s GLU 50 N -3.51 0.70 0.23 0.44 2.02 -0.28 -4.94 118.70 113.37 1b2o s GLU 50 Ca 0.34 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 1b2o s GLU 50 Cb -0.10 -0.62 -0.10 0.00 0.10 0.00 0.00 34.13 33.41 1b2o s GLU 50 CO 0.28 0.14 1.39 -2.00 0.02 0.00 0.00 175.26 175.09 1b2o s GLU 51 N -1.42 4.31 -0.61 1.61 2.12 -1.26 -0.64 118.70 122.82 1b2o s GLU 51 Ca -0.04 2.21 -0.22 0.00 0.36 0.00 0.00 54.97 57.29 1b2o s GLU 51 Cb -0.09 -3.14 0.07 0.00 0.26 0.00 0.00 34.13 31.23 1b2o s GLU 51 CO 0.01 -0.36 0.87 0.08 -0.54 0.00 0.00 175.26 175.33 1b2o s VAL 52 N 0.05 4.49 0.57 3.70 1.01 0.32 -4.82 120.40 125.72 1b2o s VAL 52 Ca 0.58 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 1b2o s VAL 52 Cb -0.40 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 1b2o s VAL 52 CO 0.41 -1.25 1.11 -1.61 0.00 0.00 0.00 175.10 173.76 1b2o s GLU 53 N 3.64 3.25 0.00 2.72 0.41 -1.26 -4.48 118.70 122.97 1b2o s GLU 53 Ca 0.21 1.48 0.00 0.00 -0.41 0.00 0.00 54.97 56.26 1b2o s GLU 53 Cb -0.17 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1b2o s GLU 53 CO 0.12 -0.91 0.46 0.39 -0.49 0.00 0.00 175.26 174.83