#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 2.94 -0.23 1.20 1.75 -1.26 -5.07 119.30 118.63 2k2d s MET 34 Ca 0.00 -0.89 -0.12 0.00 -1.25 0.00 0.00 55.69 53.43 2k2d s MET 34 Cb 0.00 -2.81 -0.05 0.00 2.84 0.00 0.00 34.83 34.81 2k2d s MET 34 CO 0.00 -0.30 0.24 0.95 -0.65 0.00 0.00 175.02 175.25 2k2d s THR 35 N 1.32 5.31 0.25 10.11 -4.23 -1.26 -1.09 115.64 126.04 2k2d s THR 35 Ca 0.02 0.35 0.10 0.00 -1.18 0.00 0.00 61.69 60.98 2k2d s THR 35 Cb -0.15 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.07 2k2d s THR 35 CO -0.08 0.31 -0.10 0.68 -0.54 0.00 0.00 174.62 174.90 2k2d s VAL 36 N 1.17 3.03 -0.20 2.29 -7.23 0.30 -4.89 120.40 114.88 2k2d s VAL 36 Ca 0.11 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 2k2d s VAL 36 Cb -0.14 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.17 2k2d s VAL 36 CO 0.06 -0.33 0.24 -1.81 -0.31 0.00 0.00 175.10 172.95 2k2d s ASP 37 N -3.43 6.30 -0.09 4.85 1.01 -1.26 -1.24 116.67 122.81 2k2d s ASP 37 Ca 0.29 0.34 0.04 0.00 0.71 0.00 0.00 52.55 53.94 2k2d s ASP 37 Cb -0.06 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.71 2k2d s ASP 37 CO 0.17 0.08 -0.23 0.27 0.21 0.00 0.00 175.17 175.66 2k2d s ILE 38 N 0.75 2.16 -0.20 0.77 -4.36 -0.56 -0.88 121.20 118.90 2k2d s ILE 38 Ca 0.13 -1.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.49 2k2d s ILE 38 Cb -0.13 -1.82 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 2k2d s ILE 38 CO 0.03 0.56 -0.06 -0.22 0.24 0.00 0.00 174.94 175.49 2k2d s LEU 39 N 0.20 2.88 0.62 0.37 0.20 0.35 -0.99 118.68 122.31 2k2d s LEU 39 Ca -0.14 -0.36 -0.17 0.00 0.69 0.00 0.00 54.13 54.15 2k2d s LEU 39 Cb -0.17 -1.71 -0.02 0.00 -0.43 0.00 0.00 46.19 43.86 2k2d s LEU 39 CO 0.07 0.03 1.17 0.00 -0.29 0.00 0.00 176.35 177.34 2k2d n ASN 41 N -1.93 1.33 -0.05 0.00 3.02 -0.77 -3.41 115.26 113.46 2k2d n ASN 41 Ca 0.12 -1.06 -0.09 0.00 -0.03 0.00 0.00 54.58 53.52 2k2d n ASN 41 Cb 0.50 0.38 -0.03 0.00 -0.61 0.00 0.00 39.78 40.03 2k2d n ASN 41 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2k2d n ASP 42 N -0.62 1.44 -0.00 6.41 5.68 -1.26 -4.69 116.55 123.50 2k2d n ASP 42 Ca 0.09 0.23 0.12 0.00 -0.50 0.00 0.00 54.79 54.73 2k2d n ASP 42 Cb 0.39 -0.53 0.21 0.00 -1.14 0.00 0.00 41.12 40.05 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 -1.50 -5.63 -4.28 0.00 4.13 -1.22 -4.99 115.26 101.76 2k2d n ASN 44 Ca 0.05 -0.24 -0.25 0.00 1.68 0.00 0.00 54.58 55.82 2k2d n ASN 44 Cb 0.33 -4.59 -0.13 0.00 -1.54 0.00 0.00 39.78 33.86 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 -2.59 1.23 0.22 7.41 0.00 -1.26 -4.79 107.32 107.54 2k2d s GLY 45 Ca 0.26 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2k2d s GLY 45 CO 0.33 -1.17 0.38 1.09 0.00 0.00 0.00 173.10 173.73 2k2d s ARG 46 N -1.65 3.47 -0.06 2.90 1.70 -1.26 -1.44 118.95 122.61 2k2d s ARG 46 Ca 0.08 -0.51 -0.03 0.00 -0.47 0.00 0.00 55.73 54.80 2k2d s ARG 46 Cb -0.10 -2.85 0.04 0.00 -0.57 0.00 0.00 34.95 31.47 2k2d s ARG 46 CO 0.03 0.40 0.13 -1.12 -1.08 0.00 0.00 175.30 173.66 2k2d s SER 47 N -3.54 0.07 -0.49 -2.89 0.01 -0.16 -4.90 113.70 101.80 2k2d s SER 47 Ca 0.37 0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.66 2k2d s SER 47 Cb -0.10 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.32 2k2d s SER 47 CO 0.30 -0.16 0.85 -0.89 0.41 0.00 0.00 173.24 173.75 2k2d s THR 48 N 1.35 4.55 0.17 1.44 2.01 -1.26 -1.49 115.64 122.42 2k2d s THR 48 Ca -0.07 0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.37 2k2d s THR 48 Cb -0.12 -4.41 -0.05 0.00 0.01 0.00 0.00 72.50 67.94 2k2d s THR 48 CO -0.06 -0.87 -0.11 0.68 -0.69 0.00 0.00 174.62 173.58 2k2d s VAL 49 N 3.54 1.38 0.20 3.82 -7.23 -0.37 -4.94 120.40 116.80 2k2d s VAL 49 Ca 0.31 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.06 2k2d s VAL 49 Cb -0.12 -1.95 -0.08 0.00 0.56 0.00 0.00 36.38 34.79 2k2d s VAL 49 CO 0.22 -0.67 1.11 -1.58 -0.31 0.00 0.00 175.10 173.88 2k2d s GLN 50 N -3.71 4.59 -0.28 4.82 -0.44 -1.26 -0.54 119.66 122.84 2k2d s GLN 50 Ca 0.20 1.76 -0.28 0.00 -2.50 0.00 0.00 55.36 54.53 2k2d s GLN 50 Cb 0.01 -3.26 -0.03 0.00 -1.64 0.00 0.00 33.01 28.10 2k2d s GLN 50 CO 0.03 0.07 1.99 0.12 0.50 0.00 0.00 175.29 178.01 2k2d s PHE 51 N -0.37 1.51 -0.25 1.67 5.36 -0.25 -4.86 117.98 120.79 2k2d s PHE 51 Ca 0.49 0.58 -0.08 0.00 -0.96 0.00 0.00 56.93 56.96 2k2d s PHE 51 Cb -0.30 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.31 2k2d s PHE 51 CO 0.36 -3.48 0.10 -1.58 -1.46 0.00 0.00 175.22 169.16 2k2d s HIS 52 N 7.53 3.13 0.39 10.12 5.65 -1.26 -4.95 115.29 135.90 2k2d s HIS 52 Ca 0.89 -0.26 0.13 0.00 0.25 0.00 0.00 55.06 56.07 2k2d s HIS 52 Cb -0.27 -2.26 0.78 0.00 -1.18 0.00 0.00 32.58 29.65 2k2d s HIS 52 CO 0.34 -0.27 1.87 0.82 -0.65 0.00 0.00 174.74 176.85 2k2d h ILE 53 N 5.45 1.23 -0.30 0.89 5.03 -2.03 -1.25 117.51 126.53 2k2d h ILE 53 Ca -0.37 -1.10 0.00 0.00 -0.12 0.00 0.00 64.86 63.27 2k2d h ILE 53 Cb 1.18 1.58 0.00 0.00 -3.03 0.00 0.00 36.82 36.54 2k2d h ILE 53 CO 0.58 0.32 0.00 0.18 -0.68 0.00 0.00 178.15 178.55 2k2d n LEU 54 N -4.16 1.77 0.00 1.44 7.99 -1.26 -4.93 117.00 117.85 2k2d n LEU 54 Ca -0.02 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 55.09 2k2d n LEU 54 Cb 0.36 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 2k2d n LEU 54 CO 0.38 0.40 0.00 0.61 -1.51 0.00 0.00 177.39 177.28 2k2d n GLY 55 N 0.89 3.06 3.75 -0.72 0.00 -0.47 -5.07 105.19 106.63 2k2d n GLY 55 Ca 0.10 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 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 -4.74 4.64 -0.21 1.61 -1.94 -1.23 -4.71 119.30 112.72 2k2d s MET 56 Ca 0.00 1.75 -0.05 0.00 -1.71 0.00 0.00 55.69 55.67 2k2d s MET 56 Cb 0.00 -3.23 -0.02 0.00 2.01 0.00 0.00 34.83 33.58 2k2d s MET 56 CO 0.00 0.18 0.01 0.21 -0.01 0.00 0.00 175.02 175.41 2k2d s LYS 57 N -0.97 3.61 0.12 2.03 2.20 -1.26 -4.44 119.74 121.03 2k2d s LYS 57 Ca 0.46 -0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 2k2d s LYS 57 Cb -0.30 -3.12 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 2k2d s LYS 57 CO 0.38 -0.03 1.27 0.00 -0.36 0.00 0.00 175.35 176.60 2k2d h LYS 59 N 6.29 0.00 -0.05 0.00 6.56 -1.91 0.16 116.57 127.62 2k2d h LYS 59 Ca -0.43 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.07 2k2d h LYS 59 Cb 1.21 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.88 2k2d h LYS 59 CO 0.81 0.00 -0.34 0.82 -2.06 0.00 0.00 179.45 178.68 2k2d h ILE 60 N 0.00 1.45 0.00 1.86 2.04 -1.92 -3.41 117.51 117.53 2k2d h ILE 60 Ca 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 2k2d h ILE 60 Cb 0.64 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2k2d h ILE 60 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2k2d n GLU 62 N -0.02 -0.96 -3.72 0.00 -0.58 0.04 -5.00 120.64 110.40 2k2d n GLU 62 Ca 0.00 0.86 -0.33 0.00 -0.42 0.00 0.00 57.16 57.27 2k2d n GLU 62 Cb 0.18 -4.97 -0.05 0.00 -0.57 0.00 0.00 31.44 26.03 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 -2.71 6.49 0.00 1.62 0.15 -1.26 -4.76 113.70 113.23 2k2d s SER 63 Ca 0.00 0.55 0.22 0.00 0.70 0.00 0.00 55.95 57.43 2k2d s SER 63 Cb 0.00 -2.08 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 2k2d s SER 63 CO 0.00 0.14 1.04 -1.22 1.20 0.00 0.00 173.24 174.40 2k2d n TYR 64 N 0.48 0.00 -2.35 3.44 4.02 -1.26 -2.30 117.16 119.19 2k2d n TYR 64 Ca -0.06 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.47 2k2d n TYR 64 Cb 0.52 -0.04 -0.04 0.00 -0.02 0.00 0.00 39.34 39.76 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 2k2d s ASN 65 N -2.86 5.91 0.22 7.72 2.47 -1.26 -4.81 114.94 122.33 2k2d s ASN 65 Ca 0.11 -0.94 -0.05 0.00 0.42 0.00 0.00 52.86 52.40 2k2d s ASN 65 Cb 0.17 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.38 2k2d s ASN 65 CO 0.77 -2.03 0.27 0.42 -3.72 0.00 0.00 177.10 172.80 2k2d s THR 66 N 7.10 0.00 0.03 -5.21 -4.23 -1.26 -1.85 115.64 110.23 2k2d s THR 66 Ca 0.55 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 2k2d s THR 66 Cb -0.04 -2.40 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 2k2d s THR 66 CO -0.02 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 173.90 2k2d s ALA 67 N -4.06 1.35 -0.32 3.99 0.00 0.05 -4.87 121.76 117.91 2k2d s ALA 67 Ca 0.33 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 51.12 2k2d s ALA 67 Cb 0.04 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2k2d s ALA 67 CO 0.11 0.28 1.18 -1.14 0.00 0.00 0.00 175.76 176.20 2k2d s GLN 68 N -1.06 3.98 -0.54 0.00 0.74 -1.26 -0.50 119.66 121.02 2k2d s GLN 68 Ca 0.04 1.13 -0.28 0.00 0.05 0.00 0.00 55.36 56.30 2k2d s GLN 68 Cb -0.08 -3.81 0.03 0.00 1.10 0.00 0.00 33.01 30.25 2k2d s GLN 68 CO 0.01 -1.02 1.23 0.00 -0.55 0.00 0.00 175.29 174.96 2k2d s ALA 69 N 4.01 3.01 0.00 1.58 0.00 -0.06 -1.87 121.76 128.43 2k2d s ALA 69 Ca 0.51 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2k2d s ALA 69 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.97 2k2d s ALA 69 CO 0.20 -2.58 0.00 0.41 0.00 0.00 0.00 175.76 173.79 2k2d n GLY 70 N 5.04 0.54 3.87 0.00 0.00 -1.26 -4.41 105.19 108.97 2k2d n GLY 70 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.05 1.85 0.43 -0.02 0.00 -0.78 -5.05 107.32 102.70 2k2d s GLY 71 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 2k2d s GLY 71 CO 0.00 0.06 0.99 0.50 0.00 0.00 0.00 173.10 174.65 2k2d s ARG 72 N -4.23 4.12 -0.22 2.90 1.81 -1.26 -4.98 118.95 117.09 2k2d s ARG 72 Ca 0.53 1.28 0.02 0.00 -1.72 0.00 0.00 55.73 55.84 2k2d s ARG 72 Cb -0.10 -2.27 0.04 0.00 -0.45 0.00 0.00 34.95 32.16 2k2d s ARG 72 CO 0.37 -0.14 -0.15 0.50 -0.68 0.00 0.00 175.30 175.20 2k2d s ARG 73 N -2.97 2.62 0.41 3.54 6.06 -1.26 -5.07 118.95 122.28 2k2d s ARG 73 Ca 0.62 -1.09 -0.10 0.00 -2.50 0.00 0.00 55.73 52.66 2k2d s ARG 73 Cb -0.14 -2.75 -0.06 0.00 0.06 0.00 0.00 34.95 32.05 2k2d s ARG 73 CO 0.19 -0.40 0.77 0.96 -2.50 0.00 0.00 175.30 174.32 2k2d s ILE 74 N 1.20 4.80 -0.51 4.11 -4.36 -1.26 -4.60 121.20 120.58 2k2d s ILE 74 Ca -0.02 0.59 -0.13 0.00 -0.26 0.00 0.00 60.65 60.83 2k2d s ILE 74 Cb -0.17 -3.74 0.02 0.00 1.25 0.00 0.00 42.46 39.82 2k2d s ILE 74 CO -0.09 -0.55 0.63 -1.20 0.24 0.00 0.00 174.94 173.97 2k2d n SER 75 N -1.39 -7.84 -4.06 4.36 7.64 -1.26 -5.02 113.62 106.05 2k2d n SER 75 Ca 0.02 0.37 -0.32 0.00 1.01 0.00 0.00 58.87 59.95 2k2d n SER 75 Cb 0.54 -5.25 -0.14 0.00 -1.01 0.00 0.00 64.21 58.34 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 -2.95 4.33 0.00 -3.43 2.96 -1.26 -4.91 118.68 113.42 2k2d s LEU 76 Ca 0.19 -1.82 0.24 0.00 -0.22 0.00 0.00 54.13 52.52 2k2d s LEU 76 Cb -0.05 -1.64 0.27 0.00 0.50 0.00 0.00 46.19 45.27 2k2d s LEU 76 CO 0.77 -0.33 1.31 -0.90 -1.32 0.00 0.00 176.35 175.88 2k2d n ASP 77 N 4.38 3.14 -4.75 3.68 5.75 -1.26 -4.95 116.55 122.54 2k2d n ASP 77 Ca -0.04 -2.00 -0.39 0.00 -0.01 0.00 0.00 54.79 52.35 2k2d n ASP 77 Cb 0.42 -0.08 -0.05 0.00 -1.03 0.00 0.00 41.12 40.38 2k2d n ASP 77 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2k2d s GLN 78 N -1.85 4.36 0.00 0.11 -0.21 -1.26 -5.36 119.66 115.46 2k2d s GLN 78 Ca 0.31 0.77 0.26 0.00 0.02 0.00 0.00 55.36 56.73 2k2d s GLN 78 Cb 0.21 -3.37 0.69 0.00 1.00 0.00 0.00 33.01 31.53 2k2d s GLN 78 CO 0.31 0.28 1.54 0.00 -2.12 0.00 0.00 175.29 175.29