#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pve s LYS 2 N 0.00 3.08 0.41 0.03 -0.14 -1.26 -4.93 119.74 116.94 2pve s LYS 2 Ca 0.00 -0.78 -0.23 0.00 -1.36 0.00 0.00 55.97 53.60 2pve s LYS 2 Cb 0.00 -2.75 -0.09 0.00 -1.68 0.00 0.00 37.83 33.31 2pve s LYS 2 CO 0.00 0.50 1.05 0.15 -0.76 0.00 0.00 175.35 176.28 2pve s LYS 3 N -3.15 4.10 0.15 1.68 1.02 -1.26 -4.52 119.74 117.76 2pve s LYS 3 Ca 0.32 1.48 0.09 0.00 0.02 0.00 0.00 55.97 57.88 2pve s LYS 3 Cb -0.10 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 2pve s LYS 3 CO 0.25 -0.19 -0.20 0.71 -0.92 0.00 0.00 175.35 175.00 2pve s TYR 4 N -1.73 1.90 0.04 3.18 1.51 -0.59 -0.83 117.35 120.84 2pve s TYR 4 Ca 0.60 -0.44 0.04 0.00 -1.01 0.00 0.00 57.07 56.26 2pve s TYR 4 Cb -0.21 -0.97 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 2pve s TYR 4 CO 0.26 0.33 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.83 2pve s THR 5 N -1.74 0.85 -0.14 -0.71 -1.32 -0.25 -0.10 115.64 112.22 2pve s THR 5 Ca 0.14 -0.97 -0.29 0.00 -1.21 0.00 0.00 61.69 59.36 2pve s THR 5 Cb -0.07 -0.81 -0.02 0.00 -1.51 0.00 0.00 72.50 70.09 2pve s THR 5 CO 0.06 -0.14 1.29 0.00 -2.21 0.00 0.00 174.62 173.63 2pve h LYS 7 N 8.20 0.00 0.02 0.00 1.57 -1.01 -0.59 116.57 124.77 2pve h LYS 7 Ca -0.28 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.33 2pve h LYS 7 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2pve h LYS 7 CO 0.96 0.03 -0.88 0.82 -0.57 0.00 0.00 179.45 179.81 2pve h ILE 8 N 0.00 1.23 0.00 1.86 1.08 -1.91 -3.44 117.51 116.33 2pve h ILE 8 Ca -0.00 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.19 2pve h ILE 8 Cb 0.21 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 2pve h ILE 8 CO 0.00 0.49 -0.54 0.00 -0.69 0.00 0.00 178.15 177.41 2pve n GLY 10 N 1.69 0.88 3.54 0.00 0.00 -0.23 -5.02 105.19 106.04 2pve n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2pve n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pve n TYR 11 N -2.00 0.63 -4.02 1.61 9.36 -1.26 -4.60 117.16 116.88 2pve n TYR 11 Ca 0.00 0.70 -0.35 0.00 3.32 0.00 0.00 57.90 61.57 2pve n TYR 11 Cb 0.00 -2.15 -0.13 0.00 -0.63 0.00 0.00 39.34 36.43 2pve n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pve s ILE 12 N -1.16 3.73 -0.34 2.97 1.01 -1.26 -0.85 121.20 125.29 2pve s ILE 12 Ca 0.61 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.62 2pve s ILE 12 Cb -0.70 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.09 2pve s ILE 12 CO 0.59 0.42 0.91 -0.47 0.00 0.00 0.00 174.94 176.38 2pve s TYR 13 N 1.20 3.13 -0.34 3.97 5.04 0.86 -4.97 117.35 126.25 2pve s TYR 13 Ca 0.03 0.86 -0.09 0.00 -2.44 0.00 0.00 57.07 55.43 2pve s TYR 13 Cb -0.15 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.68 2pve s TYR 13 CO 0.00 -0.73 0.14 1.21 -1.34 0.00 0.00 175.55 174.84 2pve s ASN 14 N 1.75 5.45 0.60 4.32 3.84 -1.26 -1.54 114.94 128.09 2pve s ASN 14 Ca 0.37 -0.91 0.32 0.00 0.21 0.00 0.00 52.86 52.86 2pve s ASN 14 Cb -0.13 -1.94 1.90 0.00 -0.55 0.00 0.00 41.25 40.53 2pve s ASN 14 CO 0.16 -0.30 2.26 1.55 -2.79 0.00 0.00 177.10 177.98 2pve h PRO 15 N 8.32 0.00 0.00 0.43 0.13 -1.82 0.21 132.00 139.27 2pve h PRO 15 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2pve h PRO 15 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2pve h PRO 15 CO 0.63 0.01 -0.14 0.93 -0.23 0.00 0.00 178.00 179.20 2pve h GLU 16 N 0.00 0.00 0.00 0.86 5.08 -1.94 0.33 114.58 118.91 2pve h GLU 16 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2pve h GLU 16 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2pve h GLU 16 CO 0.00 0.14 -2.19 -0.25 -1.00 0.00 0.00 179.01 175.71 2pve n ASP 17 N -3.26 0.07 0.00 1.42 8.00 -0.10 -4.32 116.55 118.36 2pve n ASP 17 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2pve n ASP 17 Cb 0.41 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 42.76 2pve n ASP 17 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pve n GLY 18 N 1.56 0.66 2.31 0.44 0.00 -0.25 -4.05 105.19 105.88 2pve n GLY 18 Ca -0.22 -0.84 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 2pve n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pve n ASP 19 N -2.53 -0.33 0.24 1.61 2.03 0.48 -4.68 116.55 113.36 2pve n ASP 19 Ca 0.00 -2.92 0.06 0.00 0.52 0.00 0.00 54.79 52.45 2pve n ASP 19 Cb 0.00 -0.08 0.55 0.00 -0.72 0.00 0.00 41.12 40.87 2pve n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2pve h PRO 20 N 3.72 0.00 0.00 -0.67 0.13 -1.60 -1.11 132.00 132.47 2pve h PRO 20 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 2pve h PRO 20 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 2pve h PRO 20 CO 0.43 0.12 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.84 2pve h ASP 21 N 0.00 0.00 -0.27 1.44 3.32 -1.96 -1.25 116.42 117.70 2pve h ASP 21 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 2pve h ASP 21 Cb 0.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2pve h ASP 21 CO 0.02 0.04 -0.01 0.59 -1.72 0.00 0.00 179.24 178.16 2pve n ASN 22 N -3.40 3.43 0.00 6.45 3.02 -0.50 -4.97 115.26 119.29 2pve n ASN 22 Ca -0.02 -3.22 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 2pve n ASN 22 Cb 0.16 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 2pve n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pve n GLY 23 N -0.74 0.59 3.32 7.41 0.00 -0.47 -5.02 105.19 110.28 2pve n GLY 23 Ca 0.24 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2pve n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pve s VAL 24 N -2.00 4.58 0.50 1.61 1.01 -0.74 -4.95 120.40 120.41 2pve s VAL 24 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 2pve s VAL 24 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 2pve s VAL 24 CO 0.00 -0.47 1.06 0.20 0.00 0.00 0.00 175.10 175.89 2pve s ASN 25 N 2.13 6.17 0.33 3.32 -0.87 -1.26 -0.39 114.94 124.36 2pve s ASN 25 Ca 0.03 1.99 -0.26 0.00 -1.57 0.00 0.00 52.86 53.05 2pve s ASN 25 Cb -0.23 -2.57 -0.14 0.00 -0.02 0.00 0.00 41.25 38.30 2pve s ASN 25 CO 0.04 -0.90 0.80 -2.65 -2.57 0.00 0.00 177.10 171.82 2pve n PRO 26 N -1.07 0.91 -0.39 -0.60 -0.02 -1.26 -2.19 135.00 130.38 2pve n PRO 26 Ca 0.10 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2pve n PRO 26 Cb 0.52 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2pve n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pve n GLY 27 N 1.50 0.70 3.63 -1.23 0.00 0.12 -4.90 105.19 105.01 2pve n GLY 27 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2pve n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pve s THR 28 N -2.74 4.80 0.45 2.61 2.01 -0.93 -5.01 115.64 116.84 2pve s THR 28 Ca 0.00 1.38 -0.24 0.00 0.31 0.00 0.00 61.69 63.14 2pve s THR 28 Cb 0.00 -4.15 -0.08 0.00 0.01 0.00 0.00 72.50 68.29 2pve s THR 28 CO 0.00 -0.18 1.32 -0.62 -0.69 0.00 0.00 174.62 174.44 2pve s ASP 29 N 1.50 5.97 0.25 3.53 3.68 -1.26 -4.63 116.67 125.70 2pve s ASP 29 Ca 0.34 2.67 -0.04 0.00 2.13 0.00 0.00 52.55 57.66 2pve s ASP 29 Cb -0.14 -2.63 0.44 0.00 -1.45 0.00 0.00 42.92 39.13 2pve s ASP 29 CO 0.10 -1.09 1.77 0.15 0.13 0.00 0.00 175.17 176.23 2pve h PHE 30 N 2.23 0.69 -0.25 -5.34 3.57 -1.96 0.67 116.94 116.56 2pve h PHE 30 Ca -0.50 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.10 2pve h PHE 30 Cb 1.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2pve h PHE 30 CO 0.51 0.19 0.21 1.57 -2.23 0.00 0.00 178.31 178.56 2pve h LYS 31 N 0.60 0.00 -0.00 1.11 2.10 -1.99 -1.92 116.57 116.47 2pve h LYS 31 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 2pve h LYS 31 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2pve h LYS 31 CO -0.33 0.00 -0.48 -0.25 -2.00 0.00 0.00 179.45 176.40 2pve n ASP 32 N -4.17 0.49 -4.75 7.07 8.00 0.22 -4.90 116.55 118.50 2pve n ASP 32 Ca 0.03 -0.23 -0.41 0.00 0.71 0.00 0.00 54.79 54.89 2pve n ASP 32 Cb 0.35 0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.65 2pve n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pve s ILE 33 N -2.99 2.13 0.35 0.53 1.01 -0.72 -4.90 121.20 116.60 2pve s ILE 33 Ca 0.11 0.11 -0.27 0.00 0.00 0.00 0.00 60.65 60.60 2pve s ILE 33 Cb 0.18 -3.07 -0.12 0.00 0.01 0.00 0.00 42.46 39.45 2pve s ILE 33 CO 0.69 0.02 1.18 -2.65 0.00 0.00 0.00 174.94 174.18 2pve n PRO 34 N 2.01 1.80 0.00 2.79 -0.02 -1.26 -4.83 135.00 135.49 2pve n PRO 34 Ca 0.07 0.63 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 2pve n PRO 34 Cb 0.38 -2.17 0.63 0.00 -0.02 0.00 0.00 33.50 32.31 2pve n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pve n ASP 35 N 0.78 0.00 -0.63 2.55 10.43 -1.26 -1.27 116.55 127.15 2pve n ASP 35 Ca 0.07 -1.26 0.12 0.00 2.57 0.00 0.00 54.79 56.29 2pve n ASP 35 Cb 0.36 0.00 0.16 0.00 1.84 0.00 0.00 41.12 43.48 2pve n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2pve n ASP 36 N -0.84 2.18 -4.76 -2.24 5.75 -1.26 -4.75 116.55 110.61 2pve n ASP 36 Ca 0.16 -1.61 -0.38 0.00 -0.01 0.00 0.00 54.79 52.95 2pve n ASP 36 Cb 0.07 0.19 0.01 0.00 -1.03 0.00 0.00 41.12 40.36 2pve n ASP 36 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2pve s TRP 37 N -2.24 2.62 0.22 2.11 -0.00 -0.40 -5.04 118.94 116.22 2pve s TRP 37 Ca 0.26 1.43 0.08 0.00 -0.00 0.00 0.00 56.10 57.86 2pve s TRP 37 Cb 0.19 -3.64 -0.05 0.00 -0.00 0.00 0.00 33.47 29.98 2pve s TRP 37 CO 0.43 -2.25 -0.13 0.14 -0.00 0.00 0.00 176.95 175.14 2pve s VAL 38 N -1.36 1.77 0.12 5.86 -7.23 -1.26 -4.01 120.40 114.29 2pve s VAL 38 Ca 0.65 -2.21 -0.34 0.00 -1.81 0.00 0.00 61.98 58.26 2pve s VAL 38 Cb -0.36 -2.12 -0.14 0.00 0.56 0.00 0.00 36.38 34.31 2pve s VAL 38 CO 0.44 -0.54 1.58 0.00 -0.31 0.00 0.00 175.10 176.27 2pve n PRO 40 N 3.61 0.10 -0.10 0.00 -0.04 -1.26 -1.03 135.00 136.29 2pve n PRO 40 Ca 0.18 0.25 -0.16 0.00 -0.04 0.00 0.00 63.50 63.73 2pve n PRO 40 Cb 0.27 -1.67 -0.07 0.00 -0.04 0.00 0.00 33.50 31.99 2pve n PRO 40 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pve n ILE 41 N -1.86 1.49 0.21 0.52 5.41 -1.26 -4.78 119.36 119.10 2pve n ILE 41 Ca 0.04 0.03 0.02 0.00 1.00 0.00 0.00 62.75 63.84 2pve n ILE 41 Cb 0.26 -2.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.02 2pve n ILE 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pve n GLY 43 N 0.81 0.59 3.75 0.00 0.00 -0.20 -4.98 105.19 105.16 2pve n GLY 43 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2pve n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pve s ALA 44 N -2.24 2.77 0.87 4.61 0.00 -1.26 -4.47 121.76 122.04 2pve s ALA 44 Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.15 2pve s ALA 44 Cb 0.00 -3.56 0.11 0.00 0.00 0.00 0.00 23.12 19.67 2pve s ALA 44 CO 0.00 -1.38 1.12 -1.25 0.00 0.00 0.00 175.76 174.26 2pve s PRO 45 N -2.96 1.52 0.47 0.00 0.04 -1.26 -0.46 135.00 132.35 2pve s PRO 45 Ca 0.73 0.41 0.20 0.00 0.04 0.00 0.00 61.00 62.37 2pve s PRO 45 Cb -0.40 -1.87 1.21 0.00 0.04 0.00 0.00 34.50 33.48 2pve s PRO 45 CO 0.46 -1.96 1.96 0.87 0.04 0.00 0.00 177.00 178.38 2pve h LYS 46 N -1.33 0.22 0.00 4.56 1.57 -1.86 -1.04 116.57 118.69 2pve h LYS 46 Ca -0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2pve h LYS 46 Cb 1.31 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2pve h LYS 46 CO 0.61 0.14 0.02 0.66 -0.57 0.00 0.00 179.45 180.32 2pve h SER 47 N 0.23 0.00 -0.47 0.86 4.64 -1.95 -0.49 113.55 116.37 2pve h SER 47 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2pve h SER 47 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2pve h SER 47 CO -0.06 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.28 2pve n GLU 48 N -2.45 2.11 -3.87 4.77 -0.58 -0.40 -4.91 120.64 115.32 2pve n GLU 48 Ca -0.02 -1.73 -0.35 0.00 -0.42 0.00 0.00 57.16 54.65 2pve n GLU 48 Cb 0.06 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 2pve n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2pve s PHE 49 N -1.38 3.57 0.10 -0.32 0.40 -0.20 -0.31 117.98 119.84 2pve s PHE 49 Ca 0.33 0.44 0.08 0.00 -0.60 0.00 0.00 56.93 57.18 2pve s PHE 49 Cb 0.17 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.78 2pve s PHE 49 CO 0.23 0.67 -0.20 -1.83 0.70 0.00 0.00 175.22 174.78 2pve s GLU 50 N -1.65 1.09 0.41 0.44 -1.05 0.41 -4.91 118.70 113.43 2pve s GLU 50 Ca 0.24 -1.13 -0.26 0.00 -0.15 0.00 0.00 54.97 53.67 2pve s GLU 50 Cb -0.13 -1.32 -0.10 0.00 -0.44 0.00 0.00 34.13 32.14 2pve s GLU 50 CO 0.14 0.31 1.36 -1.91 0.95 0.00 0.00 175.26 176.11 2pve n GLU 51 N 1.13 2.19 0.00 -4.83 2.13 -1.26 -1.10 120.64 118.91 2pve n GLU 51 Ca -0.20 0.78 0.05 0.00 0.66 0.00 0.00 57.16 58.45 2pve n GLU 51 Cb 0.54 -2.50 0.32 0.00 0.27 0.00 0.00 31.44 30.07 2pve n GLU 51 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00