#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 2.80 -0.20 1.20 -2.45 -1.26 -4.97 119.30 114.42 2k2d s MET 34 Ca 0.00 0.42 -0.07 0.00 -1.25 0.00 0.00 55.69 54.79 2k2d s MET 34 Cb 0.00 -4.32 -0.03 0.00 1.25 0.00 0.00 34.83 31.72 2k2d s MET 34 CO 0.00 -2.54 0.05 0.95 1.05 0.00 0.00 175.02 174.53 2k2d s THR 35 N 8.12 4.48 -0.03 10.11 -4.23 -1.26 -2.97 115.64 129.85 2k2d s THR 35 Ca 0.59 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.00 2k2d s THR 35 Cb -0.12 -3.04 -0.03 0.00 1.34 0.00 0.00 72.50 70.66 2k2d s THR 35 CO 0.20 0.42 -0.11 0.68 -0.54 0.00 0.00 174.62 175.26 2k2d s VAL 36 N 0.83 3.31 -0.22 2.29 -7.23 -0.00 -4.83 120.40 114.54 2k2d s VAL 36 Ca 0.03 -0.74 -0.21 0.00 -1.81 0.00 0.00 61.98 59.25 2k2d s VAL 36 Cb -0.14 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.43 2k2d s VAL 36 CO 0.02 0.52 0.65 -0.62 -0.31 0.00 0.00 175.10 175.36 2k2d s ASP 37 N -0.99 6.66 0.01 4.85 2.15 -1.26 -2.00 116.67 126.10 2k2d s ASP 37 Ca 0.13 0.81 0.08 0.00 0.43 0.00 0.00 52.55 54.00 2k2d s ASP 37 Cb -0.11 -2.35 -0.03 0.00 -0.30 0.00 0.00 42.92 40.13 2k2d s ASP 37 CO 0.03 -0.33 -0.25 0.27 -0.17 0.00 0.00 175.17 174.72 2k2d s ILE 38 N 2.21 2.19 -0.16 4.11 -4.36 -0.29 -1.08 121.20 123.81 2k2d s ILE 38 Ca 0.28 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.42 2k2d s ILE 38 Cb -0.16 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.72 2k2d s ILE 38 CO 0.09 0.47 -0.07 -0.22 0.24 0.00 0.00 174.94 175.46 2k2d s LEU 39 N -0.96 3.01 0.41 0.37 0.20 -0.09 -1.30 118.68 120.32 2k2d s LEU 39 Ca 0.11 -0.25 -0.25 0.00 0.69 0.00 0.00 54.13 54.43 2k2d s LEU 39 Cb -0.10 -1.72 -0.08 0.00 -0.43 0.00 0.00 46.19 43.86 2k2d s LEU 39 CO 0.01 0.12 1.17 0.00 -0.29 0.00 0.00 176.35 177.37 2k2d n ASN 41 N -0.01 0.63 -0.06 0.00 4.13 -0.70 -4.02 115.26 115.22 2k2d n ASN 41 Ca 0.05 -0.14 -0.13 0.00 1.68 0.00 0.00 54.58 56.03 2k2d n ASN 41 Cb 0.47 0.50 -0.04 0.00 -1.54 0.00 0.00 39.78 39.16 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 -1.90 1.29 -0.64 6.41 5.68 -1.26 -4.77 116.55 121.36 2k2d n ASP 42 Ca 0.03 0.21 0.12 0.00 -0.50 0.00 0.00 54.79 54.66 2k2d n ASP 42 Cb 0.41 -0.51 0.21 0.00 -1.14 0.00 0.00 41.12 40.10 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 0.49 -7.01 -3.65 0.00 2.85 -1.26 -5.05 115.26 101.62 2k2d n ASN 44 Ca 0.14 0.46 -0.02 0.00 -0.11 0.00 0.00 54.58 55.05 2k2d n ASN 44 Cb 0.48 -3.68 -0.06 0.00 1.24 0.00 0.00 39.78 37.76 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2k2d s GLY 45 N -1.85 0.34 0.16 8.20 0.00 -1.26 -4.95 107.32 107.95 2k2d s GLY 45 Ca 0.21 3.43 0.01 0.00 0.00 0.00 0.00 44.72 48.37 2k2d s GLY 45 CO 0.70 1.71 0.31 1.09 0.00 0.00 0.00 173.10 176.91 2k2d s ARG 46 N -0.29 3.47 -0.03 2.90 1.70 -1.26 -1.85 118.95 123.59 2k2d s ARG 46 Ca 0.09 -0.48 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 2k2d s ARG 46 Cb -0.04 -2.93 0.02 0.00 -0.57 0.00 0.00 34.95 31.44 2k2d s ARG 46 CO -0.15 0.49 0.07 -1.12 -1.08 0.00 0.00 175.30 173.51 2k2d s SER 47 N -3.11 -0.02 -0.44 -2.89 0.01 -0.42 -4.94 113.70 101.89 2k2d s SER 47 Ca 0.36 0.13 -0.17 0.00 1.31 0.00 0.00 55.95 57.58 2k2d s SER 47 Cb -0.11 0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.22 2k2d s SER 47 CO 0.29 -0.09 0.44 -0.89 0.41 0.00 0.00 173.24 173.39 2k2d s THR 48 N 0.72 5.11 0.26 1.44 2.01 -1.26 -1.13 115.64 122.79 2k2d s THR 48 Ca -0.06 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.39 2k2d s THR 48 Cb -0.08 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2k2d s THR 48 CO -0.03 -0.50 0.18 0.68 -0.69 0.00 0.00 174.62 174.26 2k2d s VAL 49 N 2.03 0.08 0.19 3.82 -7.23 -0.84 -4.90 120.40 113.55 2k2d s VAL 49 Ca 0.10 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.97 2k2d s VAL 49 Cb -0.19 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 2k2d s VAL 49 CO 0.11 0.00 1.25 -1.58 -0.31 0.00 0.00 175.10 174.57 2k2d s GLN 50 N -3.88 4.44 0.16 4.82 0.74 -1.26 -0.82 119.66 123.86 2k2d s GLN 50 Ca 0.39 1.96 -0.32 0.00 0.05 0.00 0.00 55.36 57.44 2k2d s GLN 50 Cb 0.05 -3.22 -0.10 0.00 1.10 0.00 0.00 33.01 30.84 2k2d s GLN 50 CO 0.18 -0.17 1.59 0.12 -0.55 0.00 0.00 175.29 176.46 2k2d s PHE 51 N 0.03 2.99 -0.08 1.67 5.36 -1.16 -4.64 117.98 122.15 2k2d s PHE 51 Ca 0.55 0.58 0.01 0.00 -0.96 0.00 0.00 56.93 57.10 2k2d s PHE 51 Cb -0.34 -3.94 0.02 0.00 -0.34 0.00 0.00 43.02 38.41 2k2d s PHE 51 CO 0.37 -3.52 -0.09 -1.58 -1.46 0.00 0.00 175.22 168.94 2k2d s HIS 52 N 1.29 1.37 0.36 10.12 5.65 -1.26 -5.02 115.29 127.81 2k2d s HIS 52 Ca 0.71 -0.57 0.11 0.00 0.25 0.00 0.00 55.06 55.55 2k2d s HIS 52 Cb -0.44 -1.08 0.70 0.00 -1.18 0.00 0.00 32.58 30.58 2k2d s HIS 52 CO 0.31 -0.36 1.83 0.82 -0.65 0.00 0.00 174.74 176.69 2k2d h ILE 53 N 6.08 1.25 -0.22 0.89 5.03 -2.02 -1.77 117.51 126.74 2k2d h ILE 53 Ca -0.31 -1.18 0.00 0.00 -0.12 0.00 0.00 64.86 63.25 2k2d h ILE 53 Cb 1.16 1.56 0.00 0.00 -3.03 0.00 0.00 36.82 36.51 2k2d h ILE 53 CO 0.44 0.35 0.00 0.18 -0.68 0.00 0.00 178.15 178.44 2k2d n LEU 54 N -4.14 2.17 0.00 1.44 7.99 -1.26 -4.94 117.00 118.27 2k2d n LEU 54 Ca -0.02 -1.09 0.00 0.00 -0.01 0.00 0.00 56.01 54.89 2k2d n LEU 54 Cb 0.38 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 2k2d n LEU 54 CO 0.39 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.25 2k2d n GLY 55 N 0.49 2.27 3.76 -0.72 0.00 -0.67 -4.97 105.19 105.35 2k2d n GLY 55 Ca 0.09 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.36 4.53 -0.54 1.61 -1.94 -1.24 -4.67 119.30 112.68 2k2d s MET 56 Ca 0.00 1.93 -0.25 0.00 -1.71 0.00 0.00 55.69 55.66 2k2d s MET 56 Cb 0.00 -3.17 0.04 0.00 2.01 0.00 0.00 34.83 33.71 2k2d s MET 56 CO 0.00 0.03 0.98 0.21 -0.01 0.00 0.00 175.02 176.23 2k2d s LYS 57 N -1.20 3.39 0.07 2.03 2.20 -1.26 -4.15 119.74 120.81 2k2d s LYS 57 Ca 0.48 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.66 2k2d s LYS 57 Cb -0.34 -4.03 -0.08 0.00 -1.51 0.00 0.00 37.83 31.87 2k2d s LYS 57 CO 0.43 -1.48 1.65 0.00 -0.36 0.00 0.00 175.35 175.59 2k2d n LYS 59 N 5.61 1.68 -0.02 0.00 3.00 -1.26 -0.66 118.16 126.52 2k2d n LYS 59 Ca 0.16 -1.06 -0.16 0.00 -0.00 0.00 0.00 58.31 57.25 2k2d n LYS 59 Cb 0.40 -1.27 -0.14 0.00 0.00 0.00 0.00 35.03 34.03 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2k2d n ILE 60 N 0.34 1.69 -0.24 3.15 5.41 -1.26 -4.68 119.36 123.76 2k2d n ILE 60 Ca 0.11 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.15 2k2d n ILE 60 Cb 0.26 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 -0.20 -0.62 -4.00 0.00 -0.58 0.17 -5.02 120.64 110.39 2k2d n GLU 62 Ca 0.00 0.74 -0.33 0.00 -0.42 0.00 0.00 57.16 57.15 2k2d n GLU 62 Cb 0.06 -4.63 -0.06 0.00 -0.57 0.00 0.00 31.44 26.24 2k2d n GLU 62 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2k2d s SER 63 N -2.86 6.03 0.00 1.62 0.15 -1.24 -4.81 113.70 112.59 2k2d s SER 63 Ca 0.00 0.24 0.27 0.00 0.70 0.00 0.00 55.95 57.17 2k2d s SER 63 Cb 0.00 -1.82 0.94 0.00 -1.71 0.00 0.00 66.02 63.44 2k2d s SER 63 CO 0.00 0.26 1.68 0.00 1.20 0.00 0.00 173.24 176.39 2k2d n TYR 64 N 1.01 0.00 -2.46 3.44 0.18 -1.26 -1.78 117.16 116.30 2k2d n TYR 64 Ca -0.12 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.28 2k2d n TYR 64 Cb 0.53 -0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2k2d s ASN 65 N -2.02 6.33 -0.02 9.48 3.84 -1.26 -4.05 114.94 127.24 2k2d s ASN 65 Ca 0.36 -1.83 -0.06 0.00 0.21 0.00 0.00 52.86 51.54 2k2d s ASN 65 Cb 0.21 -2.58 0.01 0.00 -0.55 0.00 0.00 41.25 38.34 2k2d s ASN 65 CO 0.34 -1.68 0.14 0.42 -2.79 0.00 0.00 177.10 173.52 2k2d s THR 66 N 5.91 0.05 -0.18 -5.21 -4.23 -1.26 -1.72 115.64 108.99 2k2d s THR 66 Ca 0.55 -0.39 -0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2k2d s THR 66 Cb 0.01 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.53 2k2d s THR 66 CO 0.02 -0.22 -0.16 0.00 -0.54 0.00 0.00 174.62 173.72 2k2d s ALA 67 N -0.73 2.46 -0.20 3.99 0.00 -0.11 -4.87 121.76 122.29 2k2d s ALA 67 Ca -0.08 -1.17 -0.36 0.00 0.00 0.00 0.00 51.96 50.34 2k2d s ALA 67 Cb -0.05 -1.29 -0.13 0.00 0.00 0.00 0.00 23.12 21.65 2k2d s ALA 67 CO 0.01 -0.30 1.90 0.94 0.00 0.00 0.00 175.76 178.31 2k2d n GLN 68 N 4.53 1.65 -1.97 0.00 7.27 -1.26 -0.91 117.38 126.70 2k2d n GLN 68 Ca -0.20 0.59 -0.43 0.00 0.07 0.00 0.00 57.00 57.03 2k2d n GLN 68 Cb 0.51 -2.45 -0.03 0.00 2.41 0.00 0.00 30.24 30.68 2k2d n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2k2d s ALA 69 N 4.55 2.95 0.00 1.69 0.00 -0.24 -4.76 121.76 125.94 2k2d s ALA 69 Ca 0.98 0.39 0.00 0.00 0.00 0.00 0.00 51.96 53.33 2k2d s ALA 69 Cb -0.84 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 18.30 2k2d s ALA 69 CO 0.56 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 174.24 2k2d n GLY 70 N 5.31 3.32 0.00 0.00 0.00 -1.26 -4.83 105.19 107.72 2k2d n GLY 70 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.09 2.38 3.86 -0.02 0.00 -1.26 -5.05 105.19 105.02 2k2d n GLY 71 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2k2d n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2d s ARG 72 N 0.00 3.30 -0.26 1.61 3.00 -1.26 -5.09 118.95 120.24 2k2d s ARG 72 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 55.73 55.33 2k2d s ARG 72 Cb 0.00 -3.00 0.05 0.00 0.00 0.00 0.00 34.95 32.00 2k2d s ARG 72 CO 0.00 0.65 -0.07 0.50 0.00 0.00 0.00 175.30 176.38 2k2d s ARG 73 N -1.99 2.48 -0.65 3.54 6.06 -1.26 -5.06 118.95 122.08 2k2d s ARG 73 Ca 0.27 -1.20 -0.24 0.00 -2.50 0.00 0.00 55.73 52.06 2k2d s ARG 73 Cb -0.12 -2.98 0.06 0.00 0.06 0.00 0.00 34.95 31.96 2k2d s ARG 73 CO 0.19 -0.52 1.03 -1.50 -2.50 0.00 0.00 175.30 171.99 2k2d s ILE 74 N 1.21 4.21 -1.24 4.11 2.07 -1.26 -4.94 121.20 125.37 2k2d s ILE 74 Ca -0.05 -0.04 -0.09 0.00 -1.41 0.00 0.00 60.65 59.06 2k2d s ILE 74 Cb -0.19 -4.70 0.20 0.00 0.13 0.00 0.00 42.46 37.90 2k2d s ILE 74 CO -0.04 -1.46 1.75 -1.20 -1.91 0.00 0.00 174.94 172.08 2k2d n SER 75 N 8.00 5.35 -4.63 4.50 7.64 -1.26 -4.98 113.62 128.24 2k2d n SER 75 Ca -0.01 -3.15 -0.43 0.00 1.01 0.00 0.00 58.87 56.29 2k2d n SER 75 Cb 0.47 -1.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 2k2d n SER 75 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k2d s LEU 76 N -0.49 3.83 -0.57 -3.43 0.20 -1.26 -4.96 118.68 112.00 2k2d s LEU 76 Ca 0.38 0.99 -0.28 0.00 0.69 0.00 0.00 54.13 55.92 2k2d s LEU 76 Cb 0.07 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 2k2d s LEU 76 CO 0.02 -1.07 1.53 -0.62 -0.29 0.00 0.00 176.35 175.93 2k2d s ASP 77 N 2.40 5.92 -0.01 3.68 2.15 -1.26 -4.97 116.67 124.58 2k2d s ASP 77 Ca 0.51 0.33 0.06 0.00 0.43 0.00 0.00 52.55 53.89 2k2d s ASP 77 Cb -0.13 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2k2d s ASP 77 CO 0.23 -1.86 -0.21 -1.58 -0.17 0.00 0.00 175.17 171.57 2k2d s GLN 78 N 5.87 2.20 0.00 4.34 0.74 -1.26 -5.35 119.66 126.21 2k2d s GLN 78 Ca 0.57 -0.88 0.18 0.00 0.05 0.00 0.00 55.36 55.28 2k2d s GLN 78 Cb -0.12 -2.18 0.14 0.00 1.10 0.00 0.00 33.01 31.96 2k2d s GLN 78 CO 0.24 0.57 1.07 1.04 -0.55 0.00 0.00 175.29 177.66