#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 4.55 0.58 1.09 1.01 -1.26 -2.75 121.20 124.42 1sxm s ILE 2 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.63 1sxm s ILE 2 Cb 0.00 -3.09 0.08 0.00 0.01 0.00 0.00 42.46 39.46 1sxm s ILE 2 CO 0.00 0.39 0.71 0.27 0.00 0.00 0.00 174.94 176.31 1sxm s ILE 3 N 1.08 1.95 -0.62 2.92 -4.36 -1.09 -4.97 121.20 116.11 1sxm s ILE 3 Ca 0.04 -1.12 0.06 0.00 -0.26 0.00 0.00 60.65 59.37 1sxm s ILE 3 Cb -0.14 -2.08 0.27 0.00 1.25 0.00 0.00 42.46 41.76 1sxm s ILE 3 CO 0.03 0.00 0.79 0.59 0.24 0.00 0.00 174.94 176.59 1sxm n ASN 4 N -2.15 3.85 -4.08 4.36 4.13 -1.26 -4.27 115.26 115.84 1sxm n ASN 4 Ca 0.12 -3.48 -0.27 0.00 1.68 0.00 0.00 54.58 52.62 1sxm n ASN 4 Cb 0.62 -0.65 -0.17 0.00 -1.54 0.00 0.00 39.78 38.05 1sxm n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1sxm s VAL 5 N -2.87 1.43 -0.01 2.41 1.01 -1.26 -5.01 120.40 116.11 1sxm s VAL 5 Ca 0.42 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 61.53 1sxm s VAL 5 Cb 0.18 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1sxm s VAL 5 CO -0.04 0.42 0.65 -0.54 0.00 0.00 0.00 175.10 175.59 1sxm s LYS 6 N 0.59 4.38 0.29 2.72 -0.14 -1.26 -1.16 119.74 125.16 1sxm s LYS 6 Ca -0.15 0.82 0.04 0.00 -1.36 0.00 0.00 55.97 55.31 1sxm s LYS 6 Cb -0.16 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.58 1sxm s LYS 6 CO 0.05 0.28 0.20 0.00 -0.76 0.00 0.00 175.35 175.12 1sxm n THR 8 N -0.52 0.00 -3.61 0.00 5.66 -1.26 -4.34 114.28 110.21 1sxm n THR 8 Ca 0.04 -0.09 -0.06 0.00 -3.05 0.00 0.00 64.05 60.89 1sxm n THR 8 Cb 0.64 0.29 -0.05 0.00 -1.55 0.00 0.00 70.33 69.67 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 -0.58 -0.21 0.34 1.09 1.04 -1.26 -5.03 113.70 109.08 1sxm s SER 9 Ca 0.03 0.24 0.27 0.00 0.48 0.00 0.00 55.95 56.97 1sxm s SER 9 Cb 0.03 0.19 1.05 0.00 0.10 0.00 0.00 66.02 67.39 1sxm s SER 9 CO -0.01 -0.19 1.79 -0.65 0.98 0.00 0.00 173.24 175.16 1sxm h PRO 10 N 2.40 0.00 0.00 4.02 0.11 -1.89 -3.10 132.00 133.54 1sxm h PRO 10 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 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 1.63 -0.21 0.00 0.00 178.00 179.68 1sxm n LYS 11 N -2.51 0.20 0.02 1.05 4.76 -1.26 -1.94 118.16 118.48 1sxm n LYS 11 Ca 0.02 0.21 0.12 0.00 -2.87 0.00 0.00 58.31 55.79 1sxm n LYS 11 Cb 0.28 -1.75 0.28 0.00 -1.84 0.00 0.00 35.03 32.00 1sxm n LYS 11 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1sxm n GLN 12 N -2.10 0.08 -0.00 1.97 -0.06 -1.17 -3.78 117.38 112.31 1sxm n GLN 12 Ca 0.05 0.02 0.05 0.00 -2.00 0.00 0.00 57.00 55.13 1sxm n GLN 12 Cb 0.38 -1.55 -0.06 0.00 -4.06 0.00 0.00 30.24 24.95 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 -1.39 0.76 -0.03 0.00 7.64 -0.82 -3.07 113.62 116.71 1sxm n SER 14 Ca 0.01 -1.06 -0.02 0.00 1.01 0.00 0.00 58.87 58.81 1sxm n SER 14 Cb 0.19 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 1.12 -0.06 -0.24 1.43 1.57 -1.74 -3.15 116.57 115.49 1sxm h LYS 15 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1sxm h LYS 15 Cb 0.32 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1sxm h LYS 15 CO 0.00 0.03 -0.44 -1.00 -0.57 0.00 0.00 179.45 177.47 1sxm h PRO 16 N -1.01 0.72 0.00 3.15 0.13 -1.81 -3.07 132.00 130.12 1sxm h PRO 16 Ca -0.01 -0.46 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1sxm h PRO 16 Cb 0.11 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1sxm h PRO 16 CO 0.01 1.08 -0.47 0.00 -0.23 0.00 0.00 178.00 178.39 1sxm n LYS 18 N -3.85 0.25 0.13 0.00 5.02 -1.19 -0.82 118.16 117.71 1sxm n LYS 18 Ca -0.01 -0.12 0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1sxm n LYS 18 Cb 0.51 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.30 0.00 0.00 1.97 4.81 -1.36 -3.22 114.58 117.08 1sxm h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sxm h GLU 19 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1sxm h GLU 19 CO 0.00 0.05 -0.26 1.28 -0.73 0.00 0.00 179.01 179.35 1sxm n LEU 20 N -2.85 0.70 -0.17 1.64 4.77 -0.56 -4.75 117.00 115.79 1sxm n LEU 20 Ca 0.00 0.29 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 1sxm n LEU 20 Cb 0.58 -0.62 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 1sxm n LEU 20 CO 0.39 -0.46 0.31 -1.22 -1.33 0.00 0.00 177.39 175.07 1sxm n TYR 21 N -3.19 0.00 0.00 -1.77 4.02 0.00 -5.03 117.16 111.20 1sxm n TYR 21 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.85 1sxm n TYR 21 Cb 0.14 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.45 2.01 0.00 2.72 0.00 -1.22 -3.60 105.19 106.55 1sxm n GLY 22 Ca 0.07 -0.62 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 -1.26 0.00 0.00 0.00 173.32 172.06 1sxm n SER 23 N 3.64 0.00 -3.85 1.61 2.88 -1.26 -4.64 113.62 112.00 1sxm n SER 23 Ca 0.00 -0.21 -0.39 0.00 -1.33 0.00 0.00 58.87 56.94 1sxm n SER 23 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1sxm n SER 23 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1sxm n SER 24 N 0.00 5.82 -3.99 -3.46 2.88 -1.24 -4.96 113.62 108.67 1sxm n SER 24 Ca 0.00 -3.44 -0.25 0.00 -1.33 0.00 0.00 58.87 53.85 1sxm n SER 24 Cb 0.05 -1.12 -0.17 0.00 -0.75 0.00 0.00 64.21 62.23 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 -2.78 1.27 -0.77 -1.46 0.00 -1.16 -3.79 121.76 113.07 1sxm s ALA 25 Ca 0.33 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 1sxm s ALA 25 Cb 0.08 -0.65 0.20 0.00 0.00 0.00 0.00 23.12 22.75 1sxm s ALA 25 CO 0.07 -0.02 0.67 0.20 0.00 0.00 0.00 175.76 176.68 1sxm s GLY 26 N 0.93 2.64 -0.32 0.00 0.00 -1.17 -4.31 107.32 105.09 1sxm s GLY 26 Ca -0.10 -3.34 -0.16 0.00 0.00 0.00 0.00 44.72 41.13 1sxm s GLY 26 CO 0.01 1.21 0.39 0.00 0.00 0.00 0.00 173.10 174.70 1sxm s ALA 27 N -0.01 3.51 0.01 3.20 0.00 -1.26 -1.82 121.76 125.38 1sxm s ALA 27 Ca 0.18 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.15 1sxm s ALA 27 Cb -0.13 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 1sxm s ALA 27 CO -0.07 -0.98 -0.22 0.15 0.00 0.00 0.00 175.76 174.64 1sxm s LYS 28 N 2.10 1.65 -0.24 0.00 1.02 -1.02 -4.82 119.74 118.43 1sxm s LYS 28 Ca 0.14 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.30 1sxm s LYS 28 Cb -0.16 -1.67 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 1sxm s LYS 28 CO 0.12 0.45 -0.08 0.00 -0.92 0.00 0.00 175.35 174.91 1sxm s MET 30 N 1.26 3.14 1.07 0.00 -1.94 -1.08 -4.86 119.30 116.89 1sxm s MET 30 Ca -0.07 -0.77 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1sxm s MET 30 Cb -0.19 -2.64 0.00 0.00 2.01 0.00 0.00 34.83 34.01 1sxm s MET 30 CO -0.06 -0.09 0.00 -1.71 -0.01 0.00 0.00 175.02 173.15 1sxm n ASN 31 N 4.35 0.00 -2.68 3.03 2.85 -1.26 -2.42 115.26 119.14 1sxm n ASN 31 Ca -0.20 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.22 1sxm n ASN 31 Cb 0.51 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.61 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1sxm n GLY 32 N 0.00 -0.53 3.31 8.20 0.00 -1.26 -4.86 105.19 110.06 1sxm n GLY 32 Ca 0.00 0.36 -0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 0.11 0.77 -0.05 1.61 1.02 -1.01 -3.28 119.74 118.90 1sxm s LYS 33 Ca 0.17 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 1sxm s LYS 33 Cb 0.25 0.35 -0.04 0.00 -0.52 0.00 0.00 37.83 37.88 1sxm s LYS 33 CO -0.11 -0.22 0.03 0.00 -0.92 0.00 0.00 175.35 174.13 1sxm s LYS 35 N -1.25 1.61 0.02 0.00 1.02 -0.53 -2.69 119.74 117.93 1sxm s LYS 35 Ca 0.17 -1.15 0.09 0.00 0.02 0.00 0.00 55.97 55.09 1sxm s LYS 35 Cb -0.12 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1sxm s LYS 35 CO 0.07 0.47 -0.26 0.00 -0.92 0.00 0.00 175.35 174.71 1sxm n TYR 37 N 2.00 0.00 -3.70 0.00 4.01 -0.76 -4.52 117.16 114.20 1sxm n TYR 37 Ca -0.17 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.28 1sxm n TYR 37 Cb 0.52 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 0.88 3.83 0.00 7.72 0.01 -1.26 -3.02 114.94 123.10 1sxm s ASN 38 Ca 0.00 -1.92 0.00 0.00 -0.71 0.00 0.00 52.86 50.23 1sxm s ASN 38 Cb 0.00 -0.85 0.00 0.00 0.41 0.00 0.00 41.25 40.81 1sxm s ASN 38 CO 0.00 -0.37 0.04 0.59 -1.51 0.00 0.00 177.10 175.85