#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 4.40 -0.23 3.52 0.23 -1.26 -4.96 119.30 120.99 2k2d s MET 34 Ca 0.00 1.73 -0.13 0.00 -1.03 0.00 0.00 55.69 56.26 2k2d s MET 34 Cb 0.00 -3.45 -0.05 0.00 -1.53 0.00 0.00 34.83 29.80 2k2d s MET 34 CO 0.00 -0.35 0.25 0.95 -2.03 0.00 0.00 175.02 173.85 2k2d s THR 35 N 1.62 5.29 0.23 3.16 -4.23 -1.26 -1.39 115.64 119.07 2k2d s THR 35 Ca 0.58 0.38 0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2k2d s THR 35 Cb -0.27 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 2k2d s THR 35 CO 0.26 0.30 -0.17 0.68 -0.54 0.00 0.00 174.62 175.15 2k2d s VAL 36 N 1.21 2.68 -0.19 2.29 -7.23 0.58 -4.93 120.40 114.82 2k2d s VAL 36 Ca 0.12 -2.09 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2k2d s VAL 36 Cb -0.14 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2k2d s VAL 36 CO 0.06 -0.25 0.00 -0.62 -0.31 0.00 0.00 175.10 173.99 2k2d s ASP 37 N -3.12 4.93 -0.07 4.85 2.15 -1.26 -1.24 116.67 122.90 2k2d s ASP 37 Ca 0.26 -0.16 0.04 0.00 0.43 0.00 0.00 52.55 53.12 2k2d s ASP 37 Cb -0.07 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.71 2k2d s ASP 37 CO 0.14 0.09 -0.20 0.27 -0.17 0.00 0.00 175.17 175.30 2k2d s ILE 38 N 0.87 1.71 -0.18 4.11 -4.36 -0.74 -1.28 121.20 121.33 2k2d s ILE 38 Ca 0.01 -0.84 -0.04 0.00 -0.26 0.00 0.00 60.65 59.53 2k2d s ILE 38 Cb -0.14 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 2k2d s ILE 38 CO 0.02 0.48 -0.03 -0.22 0.24 0.00 0.00 174.94 175.43 2k2d s LEU 39 N 0.27 3.15 0.42 0.37 0.20 0.21 -1.46 118.68 121.83 2k2d s LEU 39 Ca -0.12 -0.22 -0.25 0.00 0.69 0.00 0.00 54.13 54.23 2k2d s LEU 39 Cb -0.15 -1.78 -0.08 0.00 -0.43 0.00 0.00 46.19 43.75 2k2d s LEU 39 CO 0.05 0.10 1.20 0.00 -0.29 0.00 0.00 176.35 177.41 2k2d h ASN 41 N 2.49 0.00 0.03 0.00 2.35 -1.79 -3.16 115.58 115.50 2k2d h ASN 41 Ca -0.49 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 54.96 2k2d h ASN 41 Cb 1.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.58 2k2d h ASN 41 CO 0.62 0.01 -1.65 -0.90 -1.65 0.00 0.00 177.43 173.86 2k2d n ASP 42 N -2.86 1.94 -0.54 5.81 5.75 -1.26 -4.44 116.55 120.95 2k2d n ASP 42 Ca 0.02 0.34 0.09 0.00 -0.01 0.00 0.00 54.79 55.22 2k2d n ASP 42 Cb 0.55 -0.90 0.03 0.00 -1.03 0.00 0.00 41.12 39.76 2k2d n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k2d n ASN 44 N 0.36 -5.52 -4.06 0.00 3.02 -1.19 -4.99 115.26 102.88 2k2d n ASN 44 Ca 0.09 -0.06 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 2k2d n ASN 44 Cb 0.41 -4.57 -0.14 0.00 -0.61 0.00 0.00 39.78 34.88 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 -2.23 0.56 0.14 7.41 0.00 -1.26 -4.85 107.32 107.09 2k2d s GLY 45 Ca 0.09 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.30 2k2d s GLY 45 CO 0.11 -0.50 0.16 1.09 0.00 0.00 0.00 173.10 173.95 2k2d s ARG 46 N -0.58 3.03 -0.02 2.90 1.70 -1.26 -1.55 118.95 123.18 2k2d s ARG 46 Ca 0.02 -0.75 -0.03 0.00 -0.47 0.00 0.00 55.73 54.50 2k2d s ARG 46 Cb -0.05 -2.75 0.00 0.00 -0.57 0.00 0.00 34.95 31.58 2k2d s ARG 46 CO 0.00 0.52 0.07 -1.12 -1.08 0.00 0.00 175.30 173.69 2k2d s SER 47 N -2.93 -0.05 -0.45 -2.89 0.01 -0.54 -4.92 113.70 101.94 2k2d s SER 47 Ca 0.31 0.08 -0.18 0.00 1.31 0.00 0.00 55.95 57.47 2k2d s SER 47 Cb -0.11 0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2k2d s SER 47 CO 0.24 -0.06 0.52 -0.89 0.41 0.00 0.00 173.24 173.46 2k2d s THR 48 N -0.15 4.99 0.36 1.44 2.01 -1.26 -1.79 115.64 121.24 2k2d s THR 48 Ca -0.02 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2k2d s THR 48 Cb -0.02 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2k2d s THR 48 CO 0.00 -0.56 0.08 0.68 -0.69 0.00 0.00 174.62 174.13 2k2d s VAL 49 N 2.37 1.00 0.54 3.82 -7.23 -0.38 -4.92 120.40 115.60 2k2d s VAL 49 Ca 0.14 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.14 2k2d s VAL 49 Cb -0.17 -2.63 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 2k2d s VAL 49 CO 0.14 0.00 1.04 0.00 -0.31 0.00 0.00 175.10 175.97 2k2d s GLN 50 N -3.84 3.59 -0.34 4.82 -2.07 -1.26 -0.30 119.66 120.26 2k2d s GLN 50 Ca 0.31 1.26 -0.29 0.00 -1.82 0.00 0.00 55.36 54.83 2k2d s GLN 50 Cb 0.06 -2.07 -0.01 0.00 -1.09 0.00 0.00 33.01 29.90 2k2d s GLN 50 CO 0.15 -0.59 1.67 0.12 -1.32 0.00 0.00 175.29 175.32 2k2d s PHE 51 N -2.24 2.00 -0.20 9.60 5.36 -0.48 -4.77 117.98 127.25 2k2d s PHE 51 Ca 0.65 0.62 -0.01 0.00 -0.96 0.00 0.00 56.93 57.23 2k2d s PHE 51 Cb -0.16 -4.16 0.01 0.00 -0.34 0.00 0.00 43.02 38.37 2k2d s PHE 51 CO 0.28 -2.70 -0.13 -1.58 -1.46 0.00 0.00 175.22 169.63 2k2d s HIS 52 N 6.29 2.87 0.28 10.12 5.65 -1.26 -4.94 115.29 134.29 2k2d s HIS 52 Ca 0.74 -1.40 0.16 0.00 0.25 0.00 0.00 55.06 54.81 2k2d s HIS 52 Cb -0.20 -1.99 0.72 0.00 -1.18 0.00 0.00 32.58 29.92 2k2d s HIS 52 CO 0.33 -0.71 1.78 0.82 -0.65 0.00 0.00 174.74 176.30 2k2d h ILE 53 N 5.88 1.07 -0.27 0.89 5.03 -2.03 -2.80 117.51 125.28 2k2d h ILE 53 Ca -0.43 -1.45 0.00 0.00 -0.12 0.00 0.00 64.86 62.85 2k2d h ILE 53 Cb 1.14 1.83 0.00 0.00 -3.03 0.00 0.00 36.82 36.77 2k2d h ILE 53 CO 0.62 0.39 0.00 0.18 -0.68 0.00 0.00 178.15 178.66 2k2d n LEU 54 N -3.76 2.60 0.00 1.44 4.77 -1.26 -4.92 117.00 115.87 2k2d n LEU 54 Ca -0.01 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2k2d n LEU 54 Cb 0.47 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2k2d n LEU 54 CO 0.38 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2k2d n GLY 55 N 0.51 2.55 3.69 -0.72 0.00 -1.05 -5.06 105.19 105.12 2k2d n GLY 55 Ca 0.12 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.43 4.32 -0.34 1.61 -1.94 -1.25 -4.79 119.30 112.48 2k2d s MET 56 Ca 0.00 0.68 -0.11 0.00 -1.71 0.00 0.00 55.69 54.56 2k2d s MET 56 Cb 0.00 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 33.34 2k2d s MET 56 CO 0.00 -0.05 0.19 0.21 -0.01 0.00 0.00 175.02 175.36 2k2d s LYS 57 N 1.24 3.16 0.28 2.03 2.20 -1.26 -4.29 119.74 123.11 2k2d s LYS 57 Ca 0.31 -0.85 -0.29 0.00 -0.36 0.00 0.00 55.97 54.78 2k2d s LYS 57 Cb -0.16 -3.66 -0.10 0.00 -1.51 0.00 0.00 37.83 32.39 2k2d s LYS 57 CO 0.13 -0.53 1.33 0.00 -0.36 0.00 0.00 175.35 175.92 2k2d n LYS 59 N 1.56 0.07 0.08 0.00 5.02 -1.26 -0.60 118.16 123.03 2k2d n LYS 59 Ca 0.03 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.21 2k2d n LYS 59 Cb 0.42 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 2k2d n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k2d h ILE 60 N 0.00 1.28 0.00 -0.18 2.04 -1.92 -3.41 117.51 115.32 2k2d h ILE 60 Ca 0.00 -2.89 0.00 0.00 1.00 0.00 0.00 64.86 62.97 2k2d h ILE 60 Cb 0.56 2.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2k2d h ILE 60 CO 0.00 0.84 -0.02 0.00 0.00 0.00 0.00 178.15 178.97 2k2d n GLU 62 N -0.19 -1.02 -3.84 0.00 1.02 0.24 -5.02 120.64 111.84 2k2d n GLU 62 Ca 0.00 0.75 -0.28 0.00 -0.02 0.00 0.00 57.16 57.61 2k2d n GLU 62 Cb 0.00 -4.93 -0.03 0.00 -0.02 0.00 0.00 31.44 26.46 2k2d n GLU 62 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k2d s SER 63 N -2.55 6.37 0.00 1.62 0.01 -1.26 -4.79 113.70 113.11 2k2d s SER 63 Ca 0.00 0.30 0.20 0.00 1.31 0.00 0.00 55.95 57.76 2k2d s SER 63 Cb 0.00 -1.97 0.36 0.00 0.21 0.00 0.00 66.02 64.62 2k2d s SER 63 CO 0.00 0.05 1.31 -1.22 0.41 0.00 0.00 173.24 173.79 2k2d n TYR 64 N -0.34 0.43 -2.51 2.43 4.01 -1.26 -2.88 117.16 117.04 2k2d n TYR 64 Ca -0.05 -0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 57.03 2k2d n TYR 64 Cb 0.53 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.34 6.55 0.06 7.72 3.84 -1.26 -4.78 114.94 125.72 2k2d s ASN 65 Ca 0.33 -2.20 0.00 0.00 0.21 0.00 0.00 52.86 51.20 2k2d s ASN 65 Cb 0.20 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.28 2k2d s ASN 65 CO 0.27 -1.47 -0.05 0.42 -2.79 0.00 0.00 177.10 173.48 2k2d s THR 66 N 5.25 0.38 -0.06 -5.21 -4.23 -1.26 -2.21 115.64 108.31 2k2d s THR 66 Ca 0.55 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.42 2k2d s THR 66 Cb 0.03 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.53 2k2d s THR 66 CO 0.06 -0.85 -0.16 0.00 -0.54 0.00 0.00 174.62 173.13 2k2d s ALA 67 N -3.31 1.52 -0.12 3.99 0.00 -0.12 -4.91 121.76 118.81 2k2d s ALA 67 Ca 0.04 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.08 2k2d s ALA 67 Cb 0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 2k2d s ALA 67 CO -0.06 0.22 1.58 -1.14 0.00 0.00 0.00 175.76 176.36 2k2d s GLN 68 N 0.30 4.07 -0.21 0.00 0.74 -1.26 -0.62 119.66 122.68 2k2d s GLN 68 Ca -0.10 1.94 -0.17 0.00 0.05 0.00 0.00 55.36 57.08 2k2d s GLN 68 Cb -0.14 -3.96 -0.13 0.00 1.10 0.00 0.00 33.01 29.88 2k2d s GLN 68 CO 0.04 -0.96 -0.05 0.00 -0.55 0.00 0.00 175.29 173.76 2k2d n ALA 69 N 7.46 0.82 -0.44 1.58 0.00 -0.40 -4.88 120.51 124.65 2k2d n ALA 69 Ca 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2k2d n ALA 69 Cb 0.44 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2k2d n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2d n GLY 70 N 1.43 2.81 3.17 0.00 0.00 -0.53 -4.64 105.19 107.44 2k2d n GLY 70 Ca -0.30 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 2k2d n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2d s GLY 71 N 0.00 0.88 0.23 -0.02 0.00 -1.26 -4.75 107.32 102.39 2k2d s GLY 71 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.56 2k2d s GLY 71 CO 0.00 -0.81 1.16 0.50 0.00 0.00 0.00 173.10 173.95 2k2d s ARG 72 N -1.03 4.54 -0.39 2.90 1.81 -1.26 -4.96 118.95 120.57 2k2d s ARG 72 Ca 0.04 1.86 -0.29 0.00 -1.72 0.00 0.00 55.73 55.62 2k2d s ARG 72 Cb -0.08 -3.22 0.00 0.00 -0.45 0.00 0.00 34.95 31.21 2k2d s ARG 72 CO 0.01 0.03 1.48 0.50 -0.68 0.00 0.00 175.30 176.63 2k2d s ARG 73 N -0.76 3.56 -0.31 3.54 3.00 -1.26 -4.98 118.95 121.74 2k2d s ARG 73 Ca 0.49 1.06 -0.15 0.00 -1.00 0.00 0.00 55.73 56.13 2k2d s ARG 73 Cb -0.32 -4.05 -0.02 0.00 0.00 0.00 0.00 34.95 30.56 2k2d s ARG 73 CO 0.39 -1.58 0.38 -1.50 0.00 0.00 0.00 175.30 172.99 2k2d s ILE 74 N 5.60 5.16 -0.72 4.11 2.07 -1.26 -5.03 121.20 131.13 2k2d s ILE 74 Ca 0.64 0.28 -0.22 0.00 -1.41 0.00 0.00 60.65 59.94 2k2d s ILE 74 Cb -0.16 -3.79 0.08 0.00 0.13 0.00 0.00 42.46 38.73 2k2d s ILE 74 CO 0.32 -0.01 1.01 -0.55 -1.91 0.00 0.00 174.94 173.80 2k2d s SER 75 N 1.71 6.27 -0.23 4.50 0.15 -1.26 -5.01 113.70 119.83 2k2d s SER 75 Ca 0.14 -1.21 -0.21 0.00 0.70 0.00 0.00 55.95 55.37 2k2d s SER 75 Cb -0.16 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2k2d s SER 75 CO 0.11 -1.37 0.65 -0.22 1.20 0.00 0.00 173.24 173.61 2k2d s LEU 76 N 3.83 4.10 -0.02 3.45 2.96 -1.26 -4.92 118.68 126.83 2k2d s LEU 76 Ca 0.25 0.80 0.13 0.00 -0.22 0.00 0.00 54.13 55.09 2k2d s LEU 76 Cb -0.14 -2.90 0.23 0.00 0.50 0.00 0.00 46.19 43.88 2k2d s LEU 76 CO 0.06 -0.34 1.10 -0.90 -1.32 0.00 0.00 176.35 174.95 2k2d n ASP 77 N 5.41 0.65 0.09 3.68 5.75 -1.26 -4.86 116.55 126.00 2k2d n ASP 77 Ca -0.00 -2.14 -0.01 0.00 -0.01 0.00 0.00 54.79 52.63 2k2d n ASP 77 Cb 0.49 -0.27 0.26 0.00 -1.03 0.00 0.00 41.12 40.57 2k2d n ASP 77 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2k2d h GLN 78 N 0.51 0.28 -0.03 0.11 4.20 -2.05 -3.58 115.11 114.56 2k2d h GLN 78 Ca -0.11 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2k2d h GLN 78 Cb 1.60 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.36 2k2d h GLN 78 CO 0.05 0.57 0.00 1.04 -0.67 0.00 0.00 178.83 179.81