#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 1.91 0.24 1.09 1.01 -1.26 -2.50 121.20 121.69 1sxm s ILE 2 Ca 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1sxm s ILE 2 Cb 0.00 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.67 1sxm s ILE 2 CO 0.00 0.35 0.31 2.30 0.00 0.00 0.00 174.94 177.90 1sxm n ILE 3 N 4.63 0.00 -3.56 2.92 -5.35 -1.05 -4.97 119.36 111.97 1sxm n ILE 3 Ca -0.18 -0.84 -0.29 0.00 -0.27 0.00 0.00 62.75 61.18 1sxm n ILE 3 Cb 0.48 -0.70 -0.12 0.00 -1.74 0.00 0.00 39.64 37.56 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 -2.49 2.94 -0.10 7.28 0.01 -1.26 -4.14 114.94 117.19 1sxm s ASN 4 Ca 0.23 -2.69 0.01 0.00 -0.71 0.00 0.00 52.86 49.70 1sxm s ASN 4 Cb -0.02 -0.71 0.02 0.00 0.41 0.00 0.00 41.25 40.95 1sxm s ASN 4 CO 0.15 -0.24 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.69 1sxm s VAL 5 N 0.37 1.23 -0.06 1.60 1.01 -1.26 -4.95 120.40 118.35 1sxm s VAL 5 Ca 0.22 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 1sxm s VAL 5 Cb -0.15 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1sxm s VAL 5 CO -0.06 0.39 0.74 -0.54 0.00 0.00 0.00 175.10 175.63 1sxm s LYS 6 N 1.15 4.45 0.20 2.72 -0.14 -1.26 -2.26 119.74 124.60 1sxm s LYS 6 Ca -0.05 0.95 0.04 0.00 -1.36 0.00 0.00 55.97 55.56 1sxm s LYS 6 Cb -0.14 -3.45 -0.02 0.00 -1.68 0.00 0.00 37.83 32.54 1sxm s LYS 6 CO -0.03 0.04 0.15 0.00 -0.76 0.00 0.00 175.35 174.75 1sxm n THR 8 N -0.40 0.00 -3.61 0.00 5.66 -1.26 -4.52 114.28 110.14 1sxm n THR 8 Ca 0.03 -0.19 -0.06 0.00 -3.05 0.00 0.00 64.05 60.78 1sxm n THR 8 Cb 0.36 0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 69.55 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 -0.91 -0.20 0.45 1.09 1.04 -1.26 -5.03 113.70 108.87 1sxm s SER 9 Ca 0.06 0.21 0.31 0.00 0.48 0.00 0.00 55.95 57.01 1sxm s SER 9 Cb 0.07 0.17 1.33 0.00 0.10 0.00 0.00 66.02 67.69 1sxm s SER 9 CO -0.03 -0.19 1.91 -0.65 0.98 0.00 0.00 173.24 175.26 1sxm h PRO 10 N 2.29 0.00 0.00 4.02 0.11 -1.88 -3.07 132.00 133.47 1sxm h PRO 10 Ca -0.13 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1sxm h PRO 10 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sxm h PRO 10 CO 0.26 0.00 -0.06 -0.22 -0.21 0.00 0.00 178.00 177.78 1sxm h LYS 11 N 0.00 0.00 -0.06 1.05 1.63 -1.96 -2.29 116.57 114.94 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 0.38 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 1sxm h LYS 11 CO 0.00 0.06 0.00 0.94 -3.45 0.00 0.00 179.45 177.00 1sxm n GLN 12 N -3.13 1.62 -0.00 1.90 7.27 -1.16 -3.30 117.38 120.57 1sxm n GLN 12 Ca 0.02 -0.92 0.01 0.00 0.07 0.00 0.00 57.00 56.19 1sxm n GLN 12 Cb 0.44 -1.45 -0.02 0.00 2.41 0.00 0.00 30.24 31.63 1sxm n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sxm n SER 14 N -1.19 0.62 0.01 0.00 7.64 -0.87 -2.87 113.62 116.95 1sxm n SER 14 Ca 0.00 -0.66 -0.06 0.00 1.01 0.00 0.00 58.87 59.16 1sxm n SER 14 Cb 0.05 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.74 -0.13 -0.27 1.43 6.56 -1.80 -3.16 116.57 119.95 1sxm h LYS 15 Ca 0.00 0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.45 1sxm h LYS 15 Cb 0.40 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.08 1sxm h LYS 15 CO 0.00 0.19 -0.42 -1.00 -2.06 0.00 0.00 179.45 176.16 1sxm h PRO 16 N -0.99 0.76 0.00 3.15 0.13 -1.84 -2.99 132.00 130.22 1sxm h PRO 16 Ca -0.01 -0.46 -0.11 0.00 -0.87 0.00 0.00 66.00 64.55 1sxm h PRO 16 Cb 0.38 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1sxm h PRO 16 CO 0.02 1.09 -0.52 0.00 -0.23 0.00 0.00 178.00 178.36 1sxm n LYS 18 N -3.87 0.52 0.11 0.00 5.02 -1.20 -0.67 118.16 118.06 1sxm n LYS 18 Ca -0.01 -0.26 0.09 0.00 -2.02 0.00 0.00 58.31 56.11 1sxm n LYS 18 Cb 0.54 -1.49 0.00 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 0.64 0.00 0.00 1.97 4.57 -1.32 -3.22 114.58 117.22 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 0.47 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1sxm h GLU 19 CO 0.00 0.06 -0.27 1.28 -1.18 0.00 0.00 179.01 178.90 1sxm n LEU 20 N -2.77 0.80 -0.37 1.64 4.77 -0.64 -4.74 117.00 115.68 1sxm n LEU 20 Ca -0.01 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 1sxm n LEU 20 Cb 0.60 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1sxm n LEU 20 CO 0.40 -0.47 0.34 -1.22 -1.33 0.00 0.00 177.39 175.11 1sxm n TYR 21 N -3.30 0.00 0.00 -1.77 4.02 0.15 -5.03 117.16 111.23 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 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.42 1.99 0.00 2.72 0.00 -1.22 -3.47 105.19 106.62 1sxm n GLY 22 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 4.03 0.00 -3.71 1.61 2.88 -1.26 -4.64 113.62 112.53 1sxm n SER 23 Ca 0.00 -0.25 -0.37 0.00 -1.33 0.00 0.00 58.87 56.92 1sxm n SER 23 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 5.66 -4.12 -3.46 2.88 -1.23 -4.98 113.62 108.37 1sxm n SER 24 Ca 0.00 -3.48 -0.30 0.00 -1.33 0.00 0.00 58.87 53.76 1sxm n SER 24 Cb 0.06 -1.03 -0.17 0.00 -0.75 0.00 0.00 64.21 62.32 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 -2.96 1.90 -0.94 -1.46 0.00 -1.23 -3.89 121.76 113.18 1sxm s ALA 25 Ca 0.36 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 1sxm s ALA 25 Cb 0.11 -0.85 0.24 0.00 0.00 0.00 0.00 23.12 22.63 1sxm s ALA 25 CO 0.03 0.03 0.90 0.20 0.00 0.00 0.00 175.76 176.91 1sxm s GLY 26 N 0.78 2.92 -0.38 0.00 0.00 -1.11 -4.27 107.32 105.27 1sxm s GLY 26 Ca -0.10 -3.57 -0.18 0.00 0.00 0.00 0.00 44.72 40.86 1sxm s GLY 26 CO 0.01 1.28 0.52 0.00 0.00 0.00 0.00 173.10 174.91 1sxm s ALA 27 N -0.54 3.44 0.03 3.20 0.00 -1.26 -1.89 121.76 124.73 1sxm s ALA 27 Ca 0.24 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 51.13 1sxm s ALA 27 Cb -0.10 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1sxm s ALA 27 CO -0.08 -1.40 -0.24 0.15 0.00 0.00 0.00 175.76 174.18 1sxm s LYS 28 N 2.43 1.70 -0.13 0.00 -0.14 -0.99 -4.83 119.74 117.77 1sxm s LYS 28 Ca 0.18 -0.97 -0.04 0.00 -1.36 0.00 0.00 55.97 53.78 1sxm s LYS 28 Cb -0.15 -1.79 0.06 0.00 -1.68 0.00 0.00 37.83 34.27 1sxm s LYS 28 CO 0.15 0.47 0.18 0.00 -0.76 0.00 0.00 175.35 175.38 1sxm s MET 30 N 2.29 2.88 1.03 0.00 -1.94 -1.09 -4.63 119.30 117.85 1sxm s MET 30 Ca 0.04 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1sxm s MET 30 Cb -0.14 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.44 1sxm s MET 30 CO -0.08 0.06 0.00 0.09 -0.01 0.00 0.00 175.02 175.08 1sxm n ASN 31 N 3.84 0.00 -2.68 3.03 3.02 -1.26 -2.62 115.26 118.59 1sxm n ASN 31 Ca -0.20 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.30 1sxm n ASN 31 Cb 0.52 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1sxm n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sxm n GLY 32 N 0.00 0.04 3.30 7.41 0.00 -1.26 -4.79 105.19 109.89 1sxm n GLY 32 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.72 0.15 1.61 3.01 -1.08 -3.53 119.74 120.73 1sxm s LYS 33 Ca 0.13 -0.02 0.04 0.00 -1.01 0.00 0.00 55.97 55.11 1sxm s LYS 33 Cb 0.23 0.32 -0.04 0.00 -1.01 0.00 0.00 37.83 37.33 1sxm s LYS 33 CO -0.06 -0.19 0.14 0.00 0.51 0.00 0.00 175.35 175.74 1sxm s LYS 35 N -2.99 0.20 -0.14 0.00 1.02 -0.70 -2.52 119.74 114.61 1sxm s LYS 35 Ca 0.31 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.29 1sxm s LYS 35 Cb -0.11 -0.26 0.01 0.00 -0.52 0.00 0.00 37.83 36.96 1sxm s LYS 35 CO 0.24 -0.01 -0.21 0.00 -0.92 0.00 0.00 175.35 174.45 1sxm n TYR 37 N 4.16 0.00 -3.70 0.00 4.01 -0.79 -1.91 117.16 118.92 1sxm n TYR 37 Ca -0.20 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.24 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 1.00 3.80 0.00 7.72 -0.87 -1.26 -2.74 114.94 122.59 1sxm s ASN 38 Ca 0.00 -2.01 0.00 0.00 -1.57 0.00 0.00 52.86 49.28 1sxm s ASN 38 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 1sxm s ASN 38 CO 0.00 -0.36 0.00 0.59 -2.57 0.00 0.00 177.10 174.77