#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rhi s THR 27 N 0.00 1.77 -0.20 -3.48 -4.23 -1.26 -5.12 115.64 103.13 1rhi s THR 27 Ca 0.00 -1.44 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 1rhi s THR 27 Cb 0.00 -1.58 0.07 0.00 1.34 0.00 0.00 72.50 72.33 1rhi s THR 27 CO 0.00 0.07 0.47 -0.69 -0.54 0.00 0.00 174.62 173.93 1rhi s VAL 28 N -1.01 -0.15 -0.04 2.29 1.01 -1.26 -5.15 120.40 116.09 1rhi s VAL 28 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.19 1rhi s VAL 28 Cb -0.10 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 1rhi s VAL 28 CO 0.03 0.04 -0.19 0.27 0.00 0.00 0.00 175.10 175.25 1rhi s ILE 29 N 1.68 1.54 -0.05 2.22 -4.36 -1.26 -5.12 121.20 115.85 1rhi s ILE 29 Ca -0.08 -0.79 -0.30 0.00 -0.26 0.00 0.00 60.65 59.22 1rhi s ILE 29 Cb -0.08 -1.31 -0.02 0.00 1.25 0.00 0.00 42.46 42.29 1rhi s ILE 29 CO -0.14 0.44 1.03 0.20 0.24 0.00 0.00 174.94 176.70 1rhi s ASN 30 N -0.07 7.26 0.00 4.36 0.01 -1.26 -4.93 114.94 120.32 1rhi s ASN 30 Ca -0.02 1.64 0.25 0.00 -0.71 0.00 0.00 52.86 54.02 1rhi s ASN 30 Cb -0.11 -2.56 0.51 0.00 0.41 0.00 0.00 41.25 39.50 1rhi s ASN 30 CO 0.02 -0.39 1.41 -1.22 -1.51 0.00 0.00 177.10 175.41 1rhi n TYR 31 N 4.53 0.00 -4.42 2.20 4.01 -1.26 -4.94 117.16 117.28 1rhi n TYR 31 Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.57 1rhi n TYR 31 Cb 0.49 -0.17 -0.11 0.00 -0.31 0.00 0.00 39.34 39.24 1rhi n TYR 31 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1rhi s TYR 32 N -2.80 2.21 0.08 -0.72 2.02 -1.26 -5.06 117.35 111.82 1rhi s TYR 32 Ca 0.16 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.34 1rhi s TYR 32 Cb 0.18 -1.05 -0.17 0.00 -0.40 0.00 0.00 41.96 40.52 1rhi s TYR 32 CO 0.64 0.53 1.28 0.87 -1.57 0.00 0.00 175.55 177.30 1rhi h LYS 33 N 2.93 0.71 -6.71 -0.62 1.57 -2.01 -3.46 116.57 108.97 1rhi h LYS 33 Ca -0.44 -0.59 -0.50 0.00 -1.87 0.00 0.00 60.65 57.25 1rhi h LYS 33 Cb 1.22 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1rhi h LYS 33 CO 0.52 1.20 0.41 -0.51 -0.57 0.00 0.00 179.45 180.50 1rhi s ASP 34 N -6.98 7.46 0.47 0.86 1.01 -1.26 -4.95 116.67 113.28 1rhi s ASP 34 Ca -0.11 2.02 0.16 0.00 0.71 0.00 0.00 52.55 55.33 1rhi s ASP 34 Cb 0.08 -2.61 1.10 0.00 1.01 0.00 0.00 42.92 42.49 1rhi s ASP 34 CO 0.88 -0.03 2.04 0.00 0.21 0.00 0.00 175.17 178.27 1rhi h ALA 35 N 4.52 1.75 -0.46 5.23 0.00 -2.00 -2.21 119.26 126.09 1rhi h ALA 35 Ca -0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1rhi h ALA 35 Cb 1.21 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1rhi h ALA 35 CO 0.69 0.17 0.27 0.00 0.00 0.00 0.00 179.25 180.38 1rhi h ALA 36 N 1.87 1.60 -0.05 0.00 0.00 -1.98 -2.76 119.26 117.94 1rhi h ALA 36 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1rhi h ALA 36 Cb 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1rhi h ALA 36 CO 0.02 0.34 0.09 0.77 0.00 0.00 0.00 179.25 180.47 1rhi h SER 37 N 0.63 0.00 -4.27 0.00 0.02 -1.79 -3.44 113.55 104.71 1rhi h SER 37 Ca 0.17 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.60 1rhi h SER 37 Cb -0.00 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.65 1rhi h SER 37 CO -0.03 0.00 0.34 -0.94 -1.14 0.00 0.00 176.83 175.06 1rhi s SER 38 N -5.54 4.75 1.05 3.07 1.04 -1.04 -5.01 113.70 112.02 1rhi s SER 38 Ca -0.05 1.90 -0.07 0.00 0.48 0.00 0.00 55.95 58.21 1rhi s SER 38 Cb 0.14 -2.53 0.10 0.00 0.10 0.00 0.00 66.02 63.82 1rhi s SER 38 CO 0.47 -1.87 0.44 -1.54 0.98 0.00 0.00 173.24 171.72 1rhi n SER 39 N -3.07 -0.70 -4.71 7.02 3.41 -1.26 -4.98 113.62 109.33 1rhi n SER 39 Ca 0.10 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.35 1rhi n SER 39 Cb 0.53 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1rhi n SER 39 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1rhi n SER 40 N -3.50 2.68 -4.82 4.04 7.64 -1.26 -5.00 113.62 113.40 1rhi n SER 40 Ca 0.06 1.11 -0.32 0.00 1.01 0.00 0.00 58.87 60.73 1rhi n SER 40 Cb 0.21 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1rhi n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rhi s ALA 41 N -1.20 2.84 1.06 -0.43 0.00 -1.26 -5.06 121.76 117.72 1rhi s ALA 41 Ca 0.61 0.29 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 1rhi s ALA 41 Cb -0.50 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 19.54 1rhi s ALA 41 CO 0.58 -0.69 0.44 0.41 0.00 0.00 0.00 175.76 176.50 1rhi n GLY 42 N -1.32 -2.16 3.71 0.00 0.00 -1.26 -5.00 105.19 99.16 1rhi n GLY 42 Ca 0.08 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1rhi n GLY 42 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1rhi s GLN 43 N -3.98 4.52 0.34 1.61 0.74 -1.26 -4.98 119.66 116.65 1rhi s GLN 43 Ca 0.27 1.36 0.05 0.00 0.05 0.00 0.00 55.36 57.09 1rhi s GLN 43 Cb -0.02 -3.47 0.69 0.00 1.10 0.00 0.00 33.01 31.31 1rhi s GLN 43 CO 0.20 -0.09 1.92 0.77 -0.55 0.00 0.00 175.29 177.55 1rhi h SER 44 N 6.85 0.74 -2.95 6.67 0.02 -2.06 -3.46 113.55 119.36 1rhi h SER 44 Ca -0.39 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.42 1rhi h SER 44 Cb 1.20 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 1rhi h SER 44 CO 0.77 0.45 -0.16 0.49 -1.14 0.00 0.00 176.83 177.24 1rhi n PHE 45 N -4.51 -1.14 -2.63 3.45 3.72 -1.26 -4.73 117.46 110.35 1rhi n PHE 45 Ca 0.13 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.44 1rhi n PHE 45 Cb 0.28 -1.96 0.03 0.00 -0.94 0.00 0.00 39.48 36.90 1rhi n PHE 45 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1rhi n SER 46 N -0.74 2.29 -4.76 4.37 7.64 -1.26 -5.09 113.62 116.07 1rhi n SER 46 Ca -0.08 -2.67 -0.38 0.00 1.01 0.00 0.00 58.87 56.75 1rhi n SER 46 Cb 0.40 -0.48 0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1rhi n SER 46 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1rhi s MET 47 N -3.50 3.27 -0.47 1.43 -1.94 -1.26 -5.01 119.30 111.81 1rhi s MET 47 Ca 0.32 2.04 0.06 0.00 -1.71 0.00 0.00 55.69 56.40 1rhi s MET 47 Cb 0.39 -2.24 0.19 0.00 2.01 0.00 0.00 34.83 35.18 1rhi s MET 47 CO -0.02 -1.02 0.75 0.34 -0.01 0.00 0.00 175.02 175.05 1rhi s ASP 48 N -1.18 -1.35 0.08 3.03 2.15 -1.26 -5.01 116.67 113.13 1rhi s ASP 48 Ca 0.71 -1.36 0.07 0.00 0.43 0.00 0.00 52.55 52.40 1rhi s ASP 48 Cb -0.35 1.75 0.38 0.00 -0.30 0.00 0.00 42.92 44.39 1rhi s ASP 48 CO 0.41 -0.07 1.23 -0.81 -0.17 0.00 0.00 175.17 175.76 1rhi n PRO 49 N 3.28 0.04 -0.31 4.34 -0.05 -1.26 -3.45 135.00 137.59 1rhi n PRO 49 Ca 0.16 0.50 -0.01 0.00 -0.05 0.00 0.00 63.50 64.10 1rhi n PRO 49 Cb 0.57 -1.62 0.11 0.00 -0.05 0.00 0.00 33.50 32.52 1rhi n PRO 49 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1rhi h SER 50 N 0.00 0.89 0.00 3.54 4.64 -1.95 0.37 113.55 121.05 1rhi h SER 50 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rhi h SER 50 Cb 0.04 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1rhi h SER 50 CO 0.00 0.61 0.08 0.07 -0.87 0.00 0.00 176.83 176.72 1rhi h LYS 51 N 1.04 0.00 0.00 4.77 2.10 -1.89 0.14 116.57 122.73 1rhi h LYS 51 Ca 0.35 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.79 1rhi h LYS 51 Cb 0.04 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.33 1rhi h LYS 51 CO -0.13 0.00 -1.79 1.19 -2.00 0.00 0.00 179.45 176.72 1rhi n PHE 52 N -3.02 0.00 -0.02 0.07 3.72 -0.50 -4.43 117.46 113.27 1rhi n PHE 52 Ca -0.03 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.44 1rhi n PHE 52 Cb 0.14 -0.57 -0.16 0.00 -0.94 0.00 0.00 39.48 37.95 1rhi n PHE 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1rhi n THR 53 N -2.42 0.28 -2.72 4.37 -2.24 0.12 -4.65 114.28 107.01 1rhi n THR 53 Ca -0.19 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 60.93 1rhi n THR 53 Cb 0.87 -0.10 0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1rhi n THR 53 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rhi n GLU 54 N -2.36 1.13 -0.30 -0.78 1.02 0.43 -4.94 120.64 114.84 1rhi n GLU 54 Ca -0.09 -3.01 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 1rhi n GLU 54 Cb 0.68 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1rhi n GLU 54 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1rhi n PRO 55 N -0.10 0.83 -2.96 3.49 -0.02 -1.20 -4.86 135.00 130.18 1rhi n PRO 55 Ca 0.09 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.23 1rhi n PRO 55 Cb 0.81 -1.08 -0.07 0.00 -0.02 0.00 0.00 33.50 33.14 1rhi n PRO 55 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rhi s VAL 56 N 0.29 4.50 -0.02 -1.45 -7.23 -1.26 -5.01 120.40 110.22 1rhi s VAL 56 Ca 0.00 1.30 -0.21 0.00 -1.81 0.00 0.00 61.98 61.26 1rhi s VAL 56 Cb 0.00 -3.67 -0.13 0.00 0.56 0.00 0.00 36.38 33.15 1rhi s VAL 56 CO 0.00 -0.18 0.90 0.50 -0.31 0.00 0.00 175.10 176.01 1rhi h LYS 57 N 2.30 -0.55 -6.11 4.82 3.64 -2.06 -3.42 116.57 115.19 1rhi h LYS 57 Ca -0.48 0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.38 1rhi h LYS 57 Cb 1.18 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1rhi h LYS 57 CO 0.63 -0.27 0.07 -0.51 -2.27 0.00 0.00 179.45 177.10 1rhi s ASP 58 N -4.93 7.04 0.22 4.20 1.01 -1.26 -5.01 116.67 117.93 1rhi s ASP 58 Ca -0.11 1.24 -0.31 0.00 0.71 0.00 0.00 52.55 54.08 1rhi s ASP 58 Cb 0.01 -2.41 -0.10 0.00 1.01 0.00 0.00 42.92 41.43 1rhi s ASP 58 CO 0.38 -0.01 1.54 -0.22 0.21 0.00 0.00 175.17 177.07 1rhi s LEU 59 N 0.26 4.37 -0.13 1.23 2.96 -1.26 -5.01 118.68 121.10 1rhi s LEU 59 Ca 0.35 2.71 -0.03 0.00 -0.22 0.00 0.00 54.13 56.95 1rhi s LEU 59 Cb -0.19 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.86 1rhi s LEU 59 CO 0.19 -0.81 -0.04 -0.04 -1.32 0.00 0.00 176.35 174.33 1rhi s MET 60 N 0.34 3.38 -0.21 1.98 -1.94 -1.26 -5.10 119.30 116.50 1rhi s MET 60 Ca 0.66 -0.50 -0.05 0.00 -1.71 0.00 0.00 55.69 54.08 1rhi s MET 60 Cb -0.44 -2.83 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1rhi s MET 60 CO 0.38 0.40 -0.01 -1.17 -0.01 0.00 0.00 175.02 174.62 1rhi s LEU 61 N -0.08 3.13 0.02 -0.03 2.96 -1.26 -5.06 118.68 118.35 1rhi s LEU 61 Ca 0.02 -0.27 -0.35 0.00 -0.22 0.00 0.00 54.13 53.31 1rhi s LEU 61 Cb -0.13 -1.80 -0.13 0.00 0.50 0.00 0.00 46.19 44.63 1rhi s LEU 61 CO 0.02 0.03 1.69 1.17 -1.32 0.00 0.00 176.35 177.94 1rhi n LYS 62 N 4.49 1.99 0.00 1.98 4.81 -1.26 -1.49 118.16 128.67 1rhi n LYS 62 Ca -0.17 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1rhi n LYS 62 Cb 0.51 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.06 1rhi n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rhi n GLY 63 N 3.79 2.31 3.95 3.14 0.00 -1.26 -5.07 105.19 112.05 1rhi n GLY 63 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 1rhi n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rhi s ALA 64 N -2.27 3.91 -0.07 4.61 0.00 -0.56 -5.03 121.76 122.35 1rhi s ALA 64 Ca 0.00 -1.16 -0.37 0.00 0.00 0.00 0.00 51.96 50.43 1rhi s ALA 64 Cb 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 23.12 21.26 1rhi s ALA 64 CO 0.00 0.37 1.67 -2.30 0.00 0.00 0.00 175.76 175.49 1rhi n PRO 65 N -1.02 1.61 -0.35 0.00 -0.02 -1.26 -4.84 135.00 129.12 1rhi n PRO 65 Ca -0.08 0.59 -0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1rhi n PRO 65 Cb 0.56 -2.32 0.13 0.00 -0.02 0.00 0.00 33.50 31.85 1rhi n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rhi h ALA 66 N 6.97 1.26 -3.45 3.55 0.00 -1.96 -3.40 119.26 122.23 1rhi h ALA 66 Ca -0.47 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 53.91 1rhi h ALA 66 Cb 1.30 -0.33 -0.33 0.00 0.00 0.00 0.00 17.79 18.43 1rhi h ALA 66 CO 0.90 0.48 -0.80 -0.51 0.00 0.00 0.00 179.25 179.32 1rhi s LEU 67 N -10.16 1.59 0.00 0.00 1.43 -1.26 -5.05 118.68 105.23 1rhi s LEU 67 Ca -0.13 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1rhi s LEU 67 Cb 0.18 -0.73 0.09 0.00 0.03 0.00 0.00 46.19 45.76 1rhi s LEU 67 CO 0.81 0.02 0.84 -3.20 0.23 0.00 0.00 176.35 175.04