#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxm s ILE 2 N 0.00 1.24 0.11 2.28 1.01 -1.26 -2.30 121.20 122.28 1sxm s ILE 2 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1sxm s ILE 2 Cb 0.00 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1sxm s ILE 2 CO 0.00 0.39 0.12 2.30 0.00 0.00 0.00 174.94 177.75 1sxm n ILE 3 N 4.42 0.00 -3.61 2.92 -5.35 -0.95 -4.94 119.36 111.85 1sxm n ILE 3 Ca -0.18 -0.39 -0.28 0.00 -0.27 0.00 0.00 62.75 61.63 1sxm n ILE 3 Cb 0.51 -0.68 -0.12 0.00 -1.74 0.00 0.00 39.64 37.61 1sxm n ILE 3 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1sxm s ASN 4 N -1.66 3.00 -0.07 7.28 0.01 -1.26 -4.16 114.94 118.08 1sxm s ASN 4 Ca 0.09 -3.02 0.00 0.00 -0.71 0.00 0.00 52.86 49.22 1sxm s ASN 4 Cb -0.01 -0.87 0.02 0.00 0.41 0.00 0.00 41.25 40.80 1sxm s ASN 4 CO 0.06 -0.19 -0.06 -0.69 -1.51 0.00 0.00 177.10 174.70 1sxm s VAL 5 N -0.09 0.76 0.21 1.60 1.01 -1.26 -4.96 120.40 117.67 1sxm s VAL 5 Ca 0.25 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 1sxm s VAL 5 Cb -0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 1sxm s VAL 5 CO -0.11 0.30 1.05 -0.54 0.00 0.00 0.00 175.10 175.80 1sxm s LYS 6 N 1.27 4.67 0.34 2.72 -0.14 -1.26 -2.10 119.74 125.24 1sxm s LYS 6 Ca -0.05 1.66 0.01 0.00 -1.36 0.00 0.00 55.97 56.23 1sxm s LYS 6 Cb -0.14 -3.27 -0.01 0.00 -1.68 0.00 0.00 37.83 32.74 1sxm s LYS 6 CO -0.02 0.21 0.41 0.00 -0.76 0.00 0.00 175.35 175.19 1sxm n THR 8 N -0.58 0.00 -3.58 0.00 5.66 -1.26 -4.61 114.28 109.91 1sxm n THR 8 Ca 0.03 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.97 1sxm n THR 8 Cb 0.62 0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 69.64 1sxm n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1sxm s SER 9 N -0.49 -0.22 0.46 1.09 1.04 -1.26 -5.03 113.70 109.30 1sxm s SER 9 Ca 0.00 0.11 0.31 0.00 0.48 0.00 0.00 55.95 56.85 1sxm s SER 9 Cb 0.00 0.20 1.23 0.00 0.10 0.00 0.00 66.02 67.55 1sxm s SER 9 CO 0.00 -0.29 1.90 -0.65 0.98 0.00 0.00 173.24 175.18 1sxm h PRO 10 N 2.15 0.00 0.00 4.02 0.11 -1.89 -3.16 132.00 133.24 1sxm h PRO 10 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1sxm h PRO 10 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sxm h PRO 10 CO 0.26 0.00 0.00 -0.22 -0.21 0.00 0.00 178.00 177.83 1sxm h LYS 11 N 0.00 0.00 -0.01 1.05 1.63 -1.96 -2.11 116.57 115.18 1sxm h LYS 11 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1sxm h LYS 11 Cb 0.49 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 1sxm h LYS 11 CO 0.00 0.00 -0.19 0.94 -3.45 0.00 0.00 179.45 176.75 1sxm n GLN 12 N -2.48 0.98 -0.00 1.90 -0.06 -1.19 -3.58 117.38 112.95 1sxm n GLN 12 Ca 0.04 -0.55 0.03 0.00 -2.00 0.00 0.00 57.00 54.52 1sxm n GLN 12 Cb 0.39 -1.49 -0.04 0.00 -4.06 0.00 0.00 30.24 25.04 1sxm n GLN 12 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1sxm n SER 14 N -1.33 0.62 -0.01 0.00 7.64 -0.81 -2.82 113.62 116.92 1sxm n SER 14 Ca 0.00 -0.73 -0.05 0.00 1.01 0.00 0.00 58.87 59.10 1sxm n SER 14 Cb 0.12 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.25 1sxm n SER 14 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1sxm h LYS 15 N 0.79 -0.10 -0.29 1.43 1.57 -1.78 -3.13 116.57 115.07 1sxm h LYS 15 Ca 0.00 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1sxm h LYS 15 Cb 0.37 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1sxm h LYS 15 CO 0.00 0.18 -0.41 -1.00 -0.57 0.00 0.00 179.45 177.65 1sxm h PRO 16 N -1.00 0.80 0.00 3.15 0.13 -1.82 -3.05 132.00 130.20 1sxm h PRO 16 Ca -0.01 -0.47 -0.08 0.00 -0.87 0.00 0.00 66.00 64.57 1sxm h PRO 16 Cb 0.32 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1sxm h PRO 16 CO 0.02 1.10 -0.40 0.00 -0.23 0.00 0.00 178.00 178.49 1sxm n LYS 18 N -3.75 0.03 0.15 0.00 5.02 -1.18 -0.82 118.16 117.60 1sxm n LYS 18 Ca -0.01 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.41 1sxm n LYS 18 Cb 0.47 -1.52 0.08 0.00 -0.02 0.00 0.00 35.03 34.04 1sxm n LYS 18 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1sxm h GLU 19 N 0.00 0.00 0.00 1.97 4.57 -1.34 -3.15 114.58 116.63 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sxm h GLU 19 Cb 0.53 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1sxm h GLU 19 CO 0.00 0.00 -0.23 1.28 -1.18 0.00 0.00 179.01 178.88 1sxm n LEU 20 N -2.82 0.62 -0.15 1.64 4.77 -0.56 -4.77 117.00 115.74 1sxm n LEU 20 Ca 0.02 0.28 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1sxm n LEU 20 Cb 0.54 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1sxm n LEU 20 CO 0.37 -0.47 0.21 -1.22 -1.33 0.00 0.00 177.39 174.96 1sxm n TYR 21 N -3.09 0.00 0.00 -1.77 4.02 -0.00 -5.03 117.16 111.29 1sxm n TYR 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.86 1sxm n TYR 21 Cb 0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1sxm n TYR 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sxm n GLY 22 N 1.46 1.83 0.00 2.72 0.00 -1.19 -3.54 105.19 106.48 1sxm n GLY 22 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1sxm n GLY 22 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sxm n SER 23 N 3.91 0.00 -3.71 1.61 7.64 -1.26 -4.62 113.62 117.19 1sxm n SER 23 Ca 0.00 -0.13 -0.37 0.00 1.01 0.00 0.00 58.87 59.38 1sxm n SER 23 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1sxm n SER 23 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1sxm n SER 24 N 0.00 5.67 -4.04 6.43 2.88 -1.23 -4.98 113.62 118.35 1sxm n SER 24 Ca 0.00 -3.48 -0.28 0.00 -1.33 0.00 0.00 58.87 53.78 1sxm n SER 24 Cb 0.03 -1.04 -0.17 0.00 -0.75 0.00 0.00 64.21 62.29 1sxm n SER 24 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sxm s ALA 25 N -2.97 1.58 -0.79 -1.46 0.00 -1.26 -3.84 121.76 113.03 1sxm s ALA 25 Ca 0.36 -0.66 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 1sxm s ALA 25 Cb 0.11 -0.79 0.20 0.00 0.00 0.00 0.00 23.12 22.65 1sxm s ALA 25 CO 0.03 -0.07 0.68 0.20 0.00 0.00 0.00 175.76 176.60 1sxm s GLY 26 N 0.99 2.70 -0.32 0.00 0.00 -1.06 -4.32 107.32 105.30 1sxm s GLY 26 Ca -0.07 -3.40 -0.19 0.00 0.00 0.00 0.00 44.72 41.06 1sxm s GLY 26 CO -0.01 1.20 0.55 0.00 0.00 0.00 0.00 173.10 174.85 1sxm s ALA 27 N -0.18 3.51 0.00 3.20 0.00 -1.26 -1.67 121.76 125.37 1sxm s ALA 27 Ca 0.19 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.39 1sxm s ALA 27 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 1sxm s ALA 27 CO -0.07 -1.11 -0.22 0.15 0.00 0.00 0.00 175.76 174.51 1sxm s LYS 28 N 2.47 1.70 -0.16 0.00 -0.14 -1.05 -4.86 119.74 117.69 1sxm s LYS 28 Ca 0.21 -0.85 -0.03 0.00 -1.36 0.00 0.00 55.97 53.95 1sxm s LYS 28 Cb -0.15 -1.70 0.05 0.00 -1.68 0.00 0.00 37.83 34.35 1sxm s LYS 28 CO 0.12 0.46 0.03 0.00 -0.76 0.00 0.00 175.35 175.20 1sxm s MET 30 N 1.89 3.41 1.04 0.00 -1.94 -0.88 -4.76 119.30 118.06 1sxm s MET 30 Ca 0.01 -0.61 0.00 0.00 -1.71 0.00 0.00 55.69 53.38 1sxm s MET 30 Cb -0.16 -3.10 0.00 0.00 2.01 0.00 0.00 34.83 33.58 1sxm s MET 30 CO -0.07 -0.21 0.00 0.09 -0.01 0.00 0.00 175.02 174.81 1sxm n ASN 31 N 4.83 0.00 -2.65 3.03 4.13 -1.26 -2.44 115.26 120.89 1sxm n ASN 31 Ca -0.17 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.03 1sxm n ASN 31 Cb 0.51 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.83 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sxm n GLY 32 N 0.00 0.86 3.28 7.41 0.00 -1.26 -4.86 105.19 110.62 1sxm n GLY 32 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1sxm n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxm s LYS 33 N 0.15 0.81 0.12 1.61 1.02 -1.02 -3.42 119.74 119.01 1sxm s LYS 33 Ca 0.16 -0.33 0.04 0.00 0.02 0.00 0.00 55.97 55.86 1sxm s LYS 33 Cb 0.31 0.36 -0.04 0.00 -0.52 0.00 0.00 37.83 37.94 1sxm s LYS 33 CO -0.07 -0.25 0.12 0.00 -0.92 0.00 0.00 175.35 174.22 1sxm s LYS 35 N -2.77 0.64 -0.10 0.00 1.02 -0.53 -2.23 119.74 115.77 1sxm s LYS 35 Ca 0.31 -0.36 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1sxm s LYS 35 Cb -0.11 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 1sxm s LYS 35 CO 0.23 0.16 -0.13 0.00 -0.92 0.00 0.00 175.35 174.70 1sxm n TYR 37 N 4.31 0.00 -3.79 0.00 4.01 -0.67 -2.16 117.16 118.86 1sxm n TYR 37 Ca -0.18 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.26 1sxm n TYR 37 Cb 0.51 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.40 1sxm n TYR 37 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1sxm s ASN 38 N -0.05 3.97 0.00 7.72 -0.87 -1.26 -2.58 114.94 121.86 1sxm s ASN 38 Ca 0.00 -2.42 0.00 0.00 -1.57 0.00 0.00 52.86 48.87 1sxm s ASN 38 Cb 0.00 -1.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.07 1sxm s ASN 38 CO 0.00 -0.31 0.16 0.59 -2.57 0.00 0.00 177.10 174.97