#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 4.07 -0.18 3.52 -2.45 -1.26 -4.98 119.30 118.02 2k2d s MET 34 Ca 0.00 1.26 -0.18 0.00 -1.25 0.00 0.00 55.69 55.51 2k2d s MET 34 Cb 0.00 -3.77 -0.03 0.00 1.25 0.00 0.00 34.83 32.27 2k2d s MET 34 CO 0.00 -0.90 0.51 0.95 1.05 0.00 0.00 175.02 176.63 2k2d s THR 35 N 3.79 5.13 0.08 10.11 -4.23 -1.26 -1.71 115.64 127.54 2k2d s THR 35 Ca 0.50 0.96 0.09 0.00 -1.18 0.00 0.00 61.69 62.06 2k2d s THR 35 Cb -0.15 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 2k2d s THR 35 CO 0.16 0.22 -0.24 0.68 -0.54 0.00 0.00 174.62 174.90 2k2d s VAL 36 N 1.35 1.97 -0.00 2.29 -7.23 0.38 -4.87 120.40 114.29 2k2d s VAL 36 Ca 0.25 -1.46 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 2k2d s VAL 36 Cb -0.15 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2k2d s VAL 36 CO 0.10 0.18 0.66 -1.81 -0.31 0.00 0.00 175.10 173.92 2k2d s ASP 37 N -1.54 7.04 -0.08 4.85 1.01 -1.26 -1.50 116.67 125.18 2k2d s ASP 37 Ca 0.10 1.24 0.01 0.00 0.71 0.00 0.00 52.55 54.61 2k2d s ASP 37 Cb -0.10 -2.40 0.02 0.00 1.01 0.00 0.00 42.92 41.45 2k2d s ASP 37 CO 0.03 0.05 -0.08 0.27 0.21 0.00 0.00 175.17 175.65 2k2d s ILE 38 N -0.00 0.94 -0.23 0.77 -4.36 -0.70 -0.98 121.20 116.63 2k2d s ILE 38 Ca 0.34 -0.30 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 2k2d s ILE 38 Cb -0.19 -0.93 -0.01 0.00 1.25 0.00 0.00 42.46 42.58 2k2d s ILE 38 CO 0.19 0.33 0.00 -0.22 0.24 0.00 0.00 174.94 175.48 2k2d s LEU 39 N 1.22 3.13 0.49 0.37 0.20 0.00 -1.26 118.68 122.84 2k2d s LEU 39 Ca -0.05 -0.36 -0.24 0.00 0.69 0.00 0.00 54.13 54.17 2k2d s LEU 39 Cb -0.14 -1.80 -0.07 0.00 -0.43 0.00 0.00 46.19 43.75 2k2d s LEU 39 CO -0.02 -0.04 1.41 0.00 -0.29 0.00 0.00 176.35 177.41 2k2d n ASN 41 N -0.53 0.37 -0.10 0.00 4.13 -1.01 -3.08 115.26 115.04 2k2d n ASN 41 Ca 0.07 0.05 -0.18 0.00 1.68 0.00 0.00 54.58 56.20 2k2d n ASN 41 Cb 0.43 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.57 2k2d n ASN 41 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2k2d n ASP 42 N -1.59 1.81 -0.63 6.41 5.75 -1.26 -4.72 116.55 122.33 2k2d n ASP 42 Ca 0.06 0.31 0.11 0.00 -0.01 0.00 0.00 54.79 55.26 2k2d n ASP 42 Cb 0.35 -0.72 0.05 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 0.37 -4.31 -4.33 0.00 4.13 -1.18 -4.98 115.26 104.96 2k2d n ASN 44 Ca 0.11 0.02 -0.32 0.00 1.68 0.00 0.00 54.58 56.07 2k2d n ASN 44 Cb 0.50 -3.61 -0.15 0.00 -1.54 0.00 0.00 39.78 34.98 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2k2d s GLY 45 N -2.22 1.38 0.17 7.41 0.00 -1.26 -4.78 107.32 108.01 2k2d s GLY 45 Ca 0.10 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 2k2d s GLY 45 CO 0.13 -0.63 0.42 1.09 0.00 0.00 0.00 173.10 174.10 2k2d s ARG 46 N -0.26 3.65 -0.05 2.90 1.70 -1.26 -1.97 118.95 123.66 2k2d s ARG 46 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.23 2k2d s ARG 46 Cb -0.13 -2.80 0.02 0.00 -0.57 0.00 0.00 34.95 31.47 2k2d s ARG 46 CO 0.03 0.43 -0.02 -1.12 -1.08 0.00 0.00 175.30 173.53 2k2d s SER 47 N -2.49 0.96 -0.49 -2.89 0.01 -0.39 -4.94 113.70 103.48 2k2d s SER 47 Ca 0.42 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.35 2k2d s SER 47 Cb -0.12 -0.38 0.03 0.00 0.21 0.00 0.00 66.02 65.76 2k2d s SER 47 CO 0.24 -0.10 0.90 -0.89 0.41 0.00 0.00 173.24 173.80 2k2d s THR 48 N 1.20 4.49 0.31 1.44 2.01 -1.26 -1.72 115.64 122.09 2k2d s THR 48 Ca -0.07 0.50 0.03 0.00 0.31 0.00 0.00 61.69 62.46 2k2d s THR 48 Cb -0.14 -4.44 -0.05 0.00 0.01 0.00 0.00 72.50 67.88 2k2d s THR 48 CO -0.02 -0.90 0.09 0.68 -0.69 0.00 0.00 174.62 173.78 2k2d s VAL 49 N 3.70 0.76 0.44 3.82 -7.23 -0.56 -4.89 120.40 116.44 2k2d s VAL 49 Ca 0.33 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.27 2k2d s VAL 49 Cb -0.11 -2.64 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 2k2d s VAL 49 CO 0.23 0.00 1.09 -1.10 -0.31 0.00 0.00 175.10 175.01 2k2d s GLN 50 N -3.92 3.92 -0.40 4.82 -0.21 -1.26 -0.47 119.66 122.14 2k2d s GLN 50 Ca 0.35 1.58 -0.28 0.00 0.02 0.00 0.00 55.36 57.03 2k2d s GLN 50 Cb 0.07 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.69 2k2d s GLN 50 CO 0.15 -0.37 1.61 0.12 -2.12 0.00 0.00 175.29 174.68 2k2d s PHE 51 N -1.68 2.08 -0.26 0.91 5.36 -0.70 -4.82 117.98 118.87 2k2d s PHE 51 Ca 0.62 0.64 -0.05 0.00 -0.96 0.00 0.00 56.93 57.18 2k2d s PHE 51 Cb -0.23 -4.22 0.00 0.00 -0.34 0.00 0.00 43.02 38.23 2k2d s PHE 51 CO 0.29 -2.43 0.02 -1.58 -1.46 0.00 0.00 175.22 170.05 2k2d s HIS 52 N 6.37 3.08 0.33 10.12 5.65 -1.26 -4.99 115.29 134.58 2k2d s HIS 52 Ca 0.69 -1.04 0.02 0.00 0.25 0.00 0.00 55.06 54.97 2k2d s HIS 52 Cb -0.17 -2.17 0.57 0.00 -1.18 0.00 0.00 32.58 29.62 2k2d s HIS 52 CO 0.32 -0.58 1.94 0.82 -0.65 0.00 0.00 174.74 176.59 2k2d h ILE 53 N 5.86 1.18 -0.52 0.89 5.03 -2.02 -1.79 117.51 126.14 2k2d h ILE 53 Ca -0.35 -0.49 -0.33 0.00 -0.12 0.00 0.00 64.86 63.56 2k2d h ILE 53 Cb 1.14 0.44 -0.15 0.00 -3.03 0.00 0.00 36.82 35.21 2k2d h ILE 53 CO 0.59 0.21 0.43 0.18 -0.68 0.00 0.00 178.15 178.89 2k2d n LEU 54 N -4.38 6.26 -0.05 1.44 7.99 -1.26 -4.88 117.00 122.13 2k2d n LEU 54 Ca 0.05 -3.23 0.00 0.00 -0.01 0.00 0.00 56.01 52.82 2k2d n LEU 54 Cb 0.12 -0.98 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 2k2d n LEU 54 CO 0.37 1.16 0.00 0.61 -1.51 0.00 0.00 177.39 178.02 2k2d n GLY 55 N 0.14 0.77 3.73 -0.72 0.00 -0.68 -5.02 105.19 103.41 2k2d n GLY 55 Ca 0.32 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.90 4.43 -0.26 1.61 -1.94 -1.20 -4.73 119.30 115.31 2k2d s MET 56 Ca 0.00 1.95 -0.11 0.00 -1.71 0.00 0.00 55.69 55.82 2k2d s MET 56 Cb 0.00 -3.24 -0.05 0.00 2.01 0.00 0.00 34.83 33.55 2k2d s MET 56 CO 0.00 -0.21 0.17 0.21 -0.01 0.00 0.00 175.02 175.18 2k2d s LYS 57 N 0.13 4.00 0.06 2.03 2.20 -1.26 -4.33 119.74 122.57 2k2d s LYS 57 Ca 0.56 -0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.57 2k2d s LYS 57 Cb -0.34 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.33 2k2d s LYS 57 CO 0.35 -0.05 1.43 0.00 -0.36 0.00 0.00 175.35 176.73 2k2d n LYS 59 N 4.75 1.68 0.06 0.00 5.02 -1.26 -0.83 118.16 127.59 2k2d n LYS 59 Ca 0.13 -0.99 -0.17 0.00 -2.02 0.00 0.00 58.31 55.25 2k2d n LYS 59 Cb 0.43 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.83 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 2.32 1.13 0.00 -0.18 2.04 -1.93 -3.41 117.51 117.48 2k2d h ILE 60 Ca 0.00 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.09 2k2d h ILE 60 Cb 0.50 2.76 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 2k2d h ILE 60 CO 0.00 0.82 0.00 0.00 0.00 0.00 0.00 178.15 178.97 2k2d n GLU 62 N -0.33 -2.03 -4.68 0.00 -0.58 -0.01 -5.04 120.64 107.97 2k2d n GLU 62 Ca 0.00 0.42 -0.33 0.00 -0.42 0.00 0.00 57.16 56.84 2k2d n GLU 62 Cb 0.03 -4.29 -0.12 0.00 -0.57 0.00 0.00 31.44 26.49 2k2d n GLU 62 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2k2d s SER 63 N -2.83 4.31 0.00 1.62 0.01 -1.22 -4.88 113.70 110.71 2k2d s SER 63 Ca 0.12 -0.17 0.25 0.00 1.31 0.00 0.00 55.95 57.46 2k2d s SER 63 Cb -0.05 -0.95 0.60 0.00 0.21 0.00 0.00 66.02 65.82 2k2d s SER 63 CO 0.15 0.32 1.49 0.00 0.41 0.00 0.00 173.24 175.60 2k2d n TYR 64 N 1.98 0.05 -2.17 2.43 4.11 -1.26 -1.61 117.16 120.68 2k2d n TYR 64 Ca -0.17 -0.03 -0.31 0.00 -0.00 0.00 0.00 57.90 57.40 2k2d n TYR 64 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.82 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2k2d s ASN 65 N -1.93 5.46 0.12 9.48 2.47 -1.26 -4.67 114.94 124.61 2k2d s ASN 65 Ca 0.33 -1.16 -0.03 0.00 0.42 0.00 0.00 52.86 52.41 2k2d s ASN 65 Cb 0.20 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.40 2k2d s ASN 65 CO 0.31 -2.51 0.11 0.42 -3.72 0.00 0.00 177.10 171.71 2k2d s THR 66 N 9.05 0.11 -0.14 -5.21 -4.23 -1.26 -2.40 115.64 111.56 2k2d s THR 66 Ca 0.65 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2k2d s THR 66 Cb -0.03 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 71.95 2k2d s THR 66 CO 0.02 -0.51 -0.18 0.00 -0.54 0.00 0.00 174.62 173.40 2k2d s ALA 67 N -4.00 2.05 -0.11 3.99 0.00 -0.04 -4.87 121.76 118.78 2k2d s ALA 67 Ca 0.19 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 2k2d s ALA 67 Cb 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2k2d s ALA 67 CO -0.01 -0.18 1.77 -1.14 0.00 0.00 0.00 175.76 176.19 2k2d s GLN 68 N 1.10 3.92 -0.23 0.00 0.74 -1.26 -0.82 119.66 123.11 2k2d s GLN 68 Ca -0.02 2.07 -0.29 0.00 0.05 0.00 0.00 55.36 57.17 2k2d s GLN 68 Cb -0.14 -4.08 -0.01 0.00 1.10 0.00 0.00 33.01 29.87 2k2d s GLN 68 CO -0.06 -1.17 1.42 0.00 -0.55 0.00 0.00 175.29 174.93 2k2d s ALA 69 N 5.02 3.40 -0.13 1.58 0.00 -0.16 -4.92 121.76 126.56 2k2d s ALA 69 Ca 0.79 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 2k2d s ALA 69 Cb -0.32 -3.77 -0.26 0.00 0.00 0.00 0.00 23.12 18.77 2k2d s ALA 69 CO 0.32 -1.70 0.79 0.78 0.00 0.00 0.00 175.76 175.95 2k2d h GLY 70 N 10.90 0.01 0.00 0.00 0.00 -1.91 -3.42 103.07 108.64 2k2d h GLY 70 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k2d h GLY 70 CO 1.01 0.02 0.00 0.61 0.00 0.00 0.00 176.54 178.18 2k2d n GLY 71 N 1.58 4.77 3.51 4.60 0.00 -1.26 -5.07 105.19 113.32 2k2d n GLY 71 Ca -0.10 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.24 3.30 -0.80 1.61 3.52 -1.26 -4.98 118.95 116.11 2k2d s ARG 72 Ca 0.00 -0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.20 2k2d s ARG 72 Cb 0.00 -4.02 0.20 0.00 -1.56 0.00 0.00 34.95 29.57 2k2d s ARG 72 CO 0.00 -1.28 0.66 0.50 -0.81 0.00 0.00 175.30 174.37 2k2d s ARG 73 N 3.36 3.06 -0.38 5.12 3.00 -1.26 -4.96 118.95 126.89 2k2d s ARG 73 Ca 0.26 -2.94 0.02 0.00 -1.00 0.00 0.00 55.73 52.06 2k2d s ARG 73 Cb -0.14 -3.92 0.12 0.00 0.00 0.00 0.00 34.95 31.00 2k2d s ARG 73 CO 0.19 -1.23 0.16 0.42 0.00 0.00 0.00 175.30 174.83 2k2d s ILE 74 N -0.77 1.53 -0.20 4.11 -1.09 -1.26 -4.96 121.20 118.56 2k2d s ILE 74 Ca 0.23 -2.21 -0.15 0.00 -2.23 0.00 0.00 60.65 56.29 2k2d s ILE 74 Cb -0.12 -2.11 -0.19 0.00 -1.58 0.00 0.00 42.46 38.46 2k2d s ILE 74 CO -0.09 -0.75 0.11 -1.54 -1.23 0.00 0.00 174.94 171.44 2k2d n SER 75 N 4.08 1.95 -3.39 3.58 3.41 -1.26 -4.88 113.62 117.11 2k2d n SER 75 Ca 0.04 0.32 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 2k2d n SER 75 Cb 0.38 -0.88 -0.09 0.00 -0.26 0.00 0.00 64.21 63.36 2k2d n SER 75 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2k2d s LEU 76 N -7.51 -0.40 -0.88 1.04 2.96 -1.26 -5.09 118.68 107.55 2k2d s LEU 76 Ca -0.30 -0.38 -0.11 0.00 -0.22 0.00 0.00 54.13 53.13 2k2d s LEU 76 Cb 0.08 0.73 0.23 0.00 0.50 0.00 0.00 46.19 47.72 2k2d s LEU 76 CO 0.62 -0.35 0.81 -0.62 -1.32 0.00 0.00 176.35 175.48 2k2d s ASP 77 N 2.43 6.67 -0.16 3.68 2.15 -1.26 -5.00 116.67 125.18 2k2d s ASP 77 Ca 0.10 -2.99 -0.09 0.00 0.43 0.00 0.00 52.55 50.00 2k2d s ASP 77 Cb -0.14 -2.15 0.06 0.00 -0.30 0.00 0.00 42.92 40.38 2k2d s ASP 77 CO -0.25 -0.46 0.39 -1.58 -0.17 0.00 0.00 175.17 173.10 2k2d s GLN 78 N -0.30 0.37 0.00 4.34 2.00 -1.26 -5.24 119.66 119.57 2k2d s GLN 78 Ca 0.21 0.74 0.23 0.00 -2.00 0.00 0.00 55.36 54.54 2k2d s GLN 78 Cb -0.11 -0.03 0.18 0.00 0.80 0.00 0.00 33.01 33.85 2k2d s GLN 78 CO -0.08 -0.16 1.22 0.00 -0.50 0.00 0.00 175.29 175.77