#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2d s MET 34 N 0.00 0.35 -0.20 1.20 0.00 -1.26 -5.10 119.30 114.29 2k2d s MET 34 Ca 0.00 0.94 -0.08 0.00 0.00 0.00 0.00 55.69 56.55 2k2d s MET 34 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 34.83 34.98 2k2d s MET 34 CO 0.00 -0.22 0.08 0.95 0.00 0.00 0.00 175.02 175.84 2k2d s THR 35 N 2.14 4.83 -0.01 10.11 -4.23 -1.26 -1.47 115.64 125.75 2k2d s THR 35 Ca -0.05 -0.01 0.07 0.00 -1.18 0.00 0.00 61.69 60.52 2k2d s THR 35 Cb -0.11 -3.20 -0.02 0.00 1.34 0.00 0.00 72.50 70.51 2k2d s THR 35 CO -0.13 0.42 -0.22 0.68 -0.54 0.00 0.00 174.62 174.83 2k2d s VAL 36 N 0.68 1.77 -0.18 2.29 -7.23 0.19 -4.92 120.40 113.00 2k2d s VAL 36 Ca 0.04 -1.01 -0.23 0.00 -1.81 0.00 0.00 61.98 58.98 2k2d s VAL 36 Cb -0.13 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 2k2d s VAL 36 CO 0.02 0.46 0.71 -0.62 -0.31 0.00 0.00 175.10 175.35 2k2d s ASP 37 N -0.64 6.80 -0.13 4.85 2.15 -1.26 -1.61 116.67 126.84 2k2d s ASP 37 Ca 0.09 0.98 0.01 0.00 0.43 0.00 0.00 52.55 54.05 2k2d s ASP 37 Cb -0.09 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 2k2d s ASP 37 CO -0.00 -0.32 -0.16 0.27 -0.17 0.00 0.00 175.17 174.78 2k2d s ILE 38 N 1.98 2.73 -0.19 4.11 -4.36 -0.52 -1.40 121.20 123.55 2k2d s ILE 38 Ca 0.33 -0.77 -0.03 0.00 -0.26 0.00 0.00 60.65 59.91 2k2d s ILE 38 Cb -0.16 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 2k2d s ILE 38 CO 0.11 0.53 -0.05 -0.22 0.24 0.00 0.00 174.94 175.56 2k2d s LEU 39 N 0.42 2.98 0.53 0.37 0.20 -0.06 -1.22 118.68 121.90 2k2d s LEU 39 Ca -0.12 -0.31 -0.21 0.00 0.69 0.00 0.00 54.13 54.19 2k2d s LEU 39 Cb -0.16 -1.74 -0.06 0.00 -0.43 0.00 0.00 46.19 43.80 2k2d s LEU 39 CO 0.06 0.06 1.19 0.00 -0.29 0.00 0.00 176.35 177.36 2k2d h ASN 41 N 1.42 0.00 0.00 0.00 4.21 -1.72 -3.13 115.58 116.35 2k2d h ASN 41 Ca -0.50 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 56.93 2k2d h ASN 41 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 2k2d h ASN 41 CO 0.57 0.53 -0.85 -0.90 -1.29 0.00 0.00 177.43 175.50 2k2d n ASP 42 N -3.27 1.84 0.01 5.81 5.68 -1.26 -4.53 116.55 120.83 2k2d n ASP 42 Ca 0.02 0.54 0.12 0.00 -0.50 0.00 0.00 54.79 54.96 2k2d n ASP 42 Cb 0.73 -0.88 0.18 0.00 -1.14 0.00 0.00 41.12 40.01 2k2d n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k2d n ASN 44 N -1.56 -4.88 -4.10 0.00 3.02 -1.18 -5.00 115.26 101.56 2k2d n ASN 44 Ca 0.05 -0.69 -0.23 0.00 -0.03 0.00 0.00 54.58 53.68 2k2d n ASN 44 Cb 0.35 -4.36 -0.15 0.00 -0.61 0.00 0.00 39.78 35.01 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k2d s GLY 45 N -3.47 0.72 0.05 7.41 0.00 -1.26 -4.85 107.32 105.93 2k2d s GLY 45 Ca 0.54 -0.58 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 2k2d s GLY 45 CO 0.79 -0.39 0.19 1.09 0.00 0.00 0.00 173.10 174.78 2k2d s ARG 46 N -0.14 3.38 -0.13 2.90 1.70 -1.26 -1.88 118.95 123.52 2k2d s ARG 46 Ca 0.01 -0.45 -0.06 0.00 -0.47 0.00 0.00 55.73 54.77 2k2d s ARG 46 Cb -0.08 -3.02 0.06 0.00 -0.57 0.00 0.00 34.95 31.35 2k2d s ARG 46 CO 0.00 0.62 0.29 -1.12 -1.08 0.00 0.00 175.30 174.01 2k2d s SER 47 N -2.41 0.03 -0.54 -2.89 0.01 -0.36 -4.88 113.70 102.66 2k2d s SER 47 Ca 0.33 0.65 -0.27 0.00 1.31 0.00 0.00 55.95 57.97 2k2d s SER 47 Cb -0.13 0.70 0.03 0.00 0.21 0.00 0.00 66.02 66.84 2k2d s SER 47 CO 0.26 -0.21 1.11 -0.89 0.41 0.00 0.00 173.24 173.91 2k2d s THR 48 N 2.02 4.17 0.31 1.44 2.01 -1.26 -1.44 115.64 122.90 2k2d s THR 48 Ca -0.03 0.82 0.03 0.00 0.31 0.00 0.00 61.69 62.82 2k2d s THR 48 Cb -0.11 -4.64 -0.05 0.00 0.01 0.00 0.00 72.50 67.71 2k2d s THR 48 CO -0.09 -1.18 0.08 0.68 -0.69 0.00 0.00 174.62 173.42 2k2d s VAL 49 N 4.54 0.87 0.31 3.82 -7.23 -0.63 -4.94 120.40 117.14 2k2d s VAL 49 Ca 0.41 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.38 2k2d s VAL 49 Cb -0.09 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.08 2k2d s VAL 49 CO 0.26 0.00 0.81 -1.10 -0.31 0.00 0.00 175.10 174.76 2k2d s GLN 50 N -3.92 4.25 -0.42 4.82 -0.21 -1.26 -0.64 119.66 122.28 2k2d s GLN 50 Ca 0.35 0.95 -0.28 0.00 0.02 0.00 0.00 55.36 56.41 2k2d s GLN 50 Cb 0.08 -2.62 -0.02 0.00 1.00 0.00 0.00 33.01 31.45 2k2d s GLN 50 CO 0.15 0.23 1.79 0.12 -2.12 0.00 0.00 175.29 175.46 2k2d s PHE 51 N -1.78 1.81 -0.17 0.91 5.36 -0.54 -4.78 117.98 118.78 2k2d s PHE 51 Ca 0.51 0.70 -0.04 0.00 -0.96 0.00 0.00 56.93 57.13 2k2d s PHE 51 Cb -0.14 -4.12 -0.03 0.00 -0.34 0.00 0.00 43.02 38.39 2k2d s PHE 51 CO 0.19 -2.66 -0.02 -1.58 -1.46 0.00 0.00 175.22 169.69 2k2d s HIS 52 N 7.49 3.05 0.30 10.12 5.65 -1.26 -4.94 115.29 135.69 2k2d s HIS 52 Ca 0.75 -0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.76 2k2d s HIS 52 Cb -0.19 -2.00 0.47 0.00 -1.18 0.00 0.00 32.58 29.68 2k2d s HIS 52 CO 0.30 -0.08 1.80 0.82 -0.65 0.00 0.00 174.74 176.92 2k2d h ILE 53 N 5.19 1.23 -0.64 0.89 1.08 -2.03 -2.67 117.51 120.56 2k2d h ILE 53 Ca -0.33 -0.99 -0.37 0.00 -0.39 0.00 0.00 64.86 62.79 2k2d h ILE 53 Cb 1.19 1.05 -0.19 0.00 -3.07 0.00 0.00 36.82 35.79 2k2d h ILE 53 CO 0.63 0.33 0.47 0.18 -0.69 0.00 0.00 178.15 179.07 2k2d n LEU 54 N -4.22 5.90 0.00 1.44 4.32 -1.26 -4.92 117.00 118.26 2k2d n LEU 54 Ca 0.01 -3.11 0.00 0.00 -0.02 0.00 0.00 56.01 52.89 2k2d n LEU 54 Cb 0.31 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 41.28 2k2d n LEU 54 CO 0.40 1.00 0.00 0.61 -1.22 0.00 0.00 177.39 178.19 2k2d n GLY 55 N -0.39 1.99 3.65 -0.72 0.00 -1.00 -5.02 105.19 103.71 2k2d n GLY 55 Ca 0.39 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 2k2d n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k2d s MET 56 N -4.90 4.22 -0.46 1.61 -1.94 -1.25 -4.59 119.30 111.99 2k2d s MET 56 Ca 0.00 0.87 -0.20 0.00 -1.71 0.00 0.00 55.69 54.65 2k2d s MET 56 Cb 0.00 -3.61 0.03 0.00 2.01 0.00 0.00 34.83 33.27 2k2d s MET 56 CO 0.00 -0.39 0.65 0.21 -0.01 0.00 0.00 175.02 175.48 2k2d s LYS 57 N 2.39 3.24 0.23 2.03 2.20 -1.26 -4.38 119.74 124.19 2k2d s LYS 57 Ca 0.34 -0.50 -0.31 0.00 -0.36 0.00 0.00 55.97 55.15 2k2d s LYS 57 Cb -0.16 -3.99 -0.10 0.00 -1.51 0.00 0.00 37.83 32.06 2k2d s LYS 57 CO 0.10 -1.09 1.54 0.00 -0.36 0.00 0.00 175.35 175.53 2k2d n LYS 59 N 2.91 0.10 -0.02 0.00 4.76 -1.26 -0.66 118.16 123.99 2k2d n LYS 59 Ca 0.10 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.42 2k2d n LYS 59 Cb 0.39 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.94 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k2d n ILE 60 N -1.43 1.63 -0.77 -0.18 5.41 -1.26 -4.69 119.36 118.08 2k2d n ILE 60 Ca 0.08 -0.78 0.00 0.00 1.00 0.00 0.00 62.75 63.05 2k2d n ILE 60 Cb 0.33 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 2k2d n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k2d n GLU 62 N 0.00 -1.19 -3.24 0.00 1.02 0.16 -5.00 120.64 112.38 2k2d n GLU 62 Ca 0.00 1.06 -0.36 0.00 -0.02 0.00 0.00 57.16 57.84 2k2d n GLU 62 Cb 0.14 -5.30 -0.06 0.00 -0.02 0.00 0.00 31.44 26.20 2k2d n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k2d s SER 63 N -2.75 6.92 0.00 1.62 0.15 -1.26 -4.67 113.70 113.71 2k2d s SER 63 Ca 0.00 1.22 0.21 0.00 0.70 0.00 0.00 55.95 58.09 2k2d s SER 63 Cb 0.00 -2.35 0.09 0.00 -1.71 0.00 0.00 66.02 62.05 2k2d s SER 63 CO 0.00 0.06 1.10 -1.22 1.20 0.00 0.00 173.24 174.39 2k2d n TYR 64 N 0.73 0.00 -2.50 3.44 4.01 -1.26 -3.42 117.16 118.16 2k2d n TYR 64 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 2k2d n TYR 64 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2k2d s ASN 65 N -2.03 6.42 0.29 7.72 2.47 -1.26 -4.84 114.94 123.70 2k2d s ASN 65 Ca 0.21 -1.67 0.03 0.00 0.42 0.00 0.00 52.86 51.86 2k2d s ASN 65 Cb 0.17 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.36 2k2d s ASN 65 CO 0.39 -1.58 0.19 0.42 -3.72 0.00 0.00 177.10 172.79 2k2d s THR 66 N 5.44 0.12 0.13 -5.21 -4.23 -1.26 -2.02 115.64 108.62 2k2d s THR 66 Ca 0.51 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.03 2k2d s THR 66 Cb 0.01 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 2k2d s THR 66 CO -0.03 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.05 2k2d s ALA 67 N -3.70 1.02 0.34 3.99 0.00 -0.21 -4.82 121.76 118.37 2k2d s ALA 67 Ca 0.38 -1.46 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 2k2d s ALA 67 Cb 0.05 0.54 -0.10 0.00 0.00 0.00 0.00 23.12 23.61 2k2d s ALA 67 CO 0.19 -0.36 1.00 -0.65 0.00 0.00 0.00 175.76 175.94 2k2d s GLN 68 N -3.94 4.46 0.83 0.00 -0.21 -1.26 -0.88 119.66 118.65 2k2d s GLN 68 Ca 0.19 1.45 -0.12 0.00 0.02 0.00 0.00 55.36 56.90 2k2d s GLN 68 Cb 0.07 -2.77 0.09 0.00 1.00 0.00 0.00 33.01 31.40 2k2d s GLN 68 CO -0.00 0.14 1.11 0.00 -2.12 0.00 0.00 175.29 174.41 2k2d s ALA 69 N -1.57 2.11 0.00 6.09 0.00 -0.49 -3.89 121.76 124.01 2k2d s ALA 69 Ca 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2k2d s ALA 69 Cb -0.21 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k2d s ALA 69 CO 0.27 -1.89 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2k2d n GLY 70 N -2.12 2.79 7.00 0.00 0.00 -1.26 -5.00 105.19 106.59 2k2d n GLY 70 Ca 0.07 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2k2d n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2d n GLY 71 N 0.00 1.50 3.66 -0.02 0.00 -1.25 -4.60 105.19 104.47 2k2d n GLY 71 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2k2d n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2d s ARG 72 N 0.00 4.16 -0.77 1.61 6.06 -1.26 -5.02 118.95 123.74 2k2d s ARG 72 Ca 0.00 0.32 -0.26 0.00 -2.50 0.00 0.00 55.73 53.28 2k2d s ARG 72 Cb 0.00 -3.57 0.04 0.00 0.06 0.00 0.00 34.95 31.48 2k2d s ARG 72 CO 0.00 -0.14 1.27 0.50 -2.50 0.00 0.00 175.30 174.44 2k2d s ARG 73 N 1.61 3.23 0.09 5.12 3.00 -1.26 -5.00 118.95 125.74 2k2d s ARG 73 Ca 0.22 -0.40 -0.09 0.00 -1.00 0.00 0.00 55.73 54.46 2k2d s ARG 73 Cb -0.15 -4.32 -0.06 0.00 0.00 0.00 0.00 34.95 30.42 2k2d s ARG 73 CO 0.09 -2.13 0.40 0.42 0.00 0.00 0.00 175.30 174.09 2k2d s ILE 74 N 5.50 5.10 -0.68 4.11 1.01 -1.26 -5.01 121.20 129.96 2k2d s ILE 74 Ca 0.35 0.39 -0.26 0.00 0.00 0.00 0.00 60.65 61.14 2k2d s ILE 74 Cb -0.08 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 2k2d s ILE 74 CO 0.12 0.24 2.03 -0.44 0.00 0.00 0.00 174.94 176.89 2k2d s SER 75 N -1.88 4.95 -0.26 3.58 0.01 -1.26 -4.88 113.70 113.96 2k2d s SER 75 Ca 0.35 0.18 -0.07 0.00 1.31 0.00 0.00 55.95 57.72 2k2d s SER 75 Cb -0.14 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.69 2k2d s SER 75 CO 0.19 -2.71 0.54 -0.22 0.41 0.00 0.00 173.24 171.45 2k2d s LEU 76 N 10.45 -0.97 -0.77 2.44 2.96 -1.26 -5.09 118.68 126.44 2k2d s LEU 76 Ca 0.76 1.16 -0.20 0.00 -0.22 0.00 0.00 54.13 55.63 2k2d s LEU 76 Cb -0.12 1.87 0.11 0.00 0.50 0.00 0.00 46.19 48.55 2k2d s LEU 76 CO 0.15 -0.24 0.96 -0.62 -1.32 0.00 0.00 176.35 175.28 2k2d s ASP 77 N 2.77 6.41 -0.20 3.68 2.15 -1.26 -4.96 116.67 125.26 2k2d s ASP 77 Ca 0.01 -1.65 -0.04 0.00 0.43 0.00 0.00 52.55 51.30 2k2d s ASP 77 Cb -0.13 -2.37 0.10 0.00 -0.30 0.00 0.00 42.92 40.22 2k2d s ASP 77 CO -0.17 -1.15 0.28 -1.58 -0.17 0.00 0.00 175.17 172.39 2k2d s GLN 78 N 2.90 0.23 0.00 4.34 0.74 -1.26 -5.31 119.66 121.30 2k2d s GLN 78 Ca 0.24 0.45 0.28 0.00 0.05 0.00 0.00 55.36 56.38 2k2d s GLN 78 Cb -0.13 -0.69 1.09 0.00 1.10 0.00 0.00 33.01 34.38 2k2d s GLN 78 CO -0.00 -0.56 1.77 0.00 -0.55 0.00 0.00 175.29 175.94