#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 2.90 0.03 1.20 -2.45 -1.26 -5.05 119.30 114.67 2k2d s MET 34 Ca 0.00 -1.21 0.07 0.00 -1.25 0.00 0.00 55.69 53.30 2k2d s MET 34 Cb 0.00 -3.98 -0.02 0.00 1.25 0.00 0.00 34.83 32.08 2k2d s MET 34 CO 0.00 -0.88 -0.21 0.95 1.05 0.00 0.00 175.02 175.94 2k2d s THR 35 N 1.61 1.66 0.07 10.11 -4.23 -1.26 -2.36 115.64 121.25 2k2d s THR 35 Ca 0.04 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2k2d s THR 35 Cb -0.22 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 2k2d s THR 35 CO 0.07 0.25 -0.05 0.68 -0.54 0.00 0.00 174.62 175.03 2k2d s VAL 36 N -0.75 0.47 -0.19 2.29 -7.23 0.06 -4.92 120.40 110.14 2k2d s VAL 36 Ca 0.08 -1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2k2d s VAL 36 Cb -0.09 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.32 2k2d s VAL 36 CO 0.01 -0.88 0.18 -0.62 -0.31 0.00 0.00 175.10 173.49 2k2d s ASP 37 N -2.83 6.28 -0.08 4.85 2.15 -1.26 -1.32 116.67 124.46 2k2d s ASP 37 Ca 0.07 0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.39 2k2d s ASP 37 Cb 0.05 -2.12 0.02 0.00 -0.30 0.00 0.00 42.92 40.56 2k2d s ASP 37 CO -0.06 0.15 -0.12 0.27 -0.17 0.00 0.00 175.17 175.24 2k2d s ILE 38 N 0.40 1.14 -0.21 4.11 -4.36 -0.66 -0.91 121.20 120.73 2k2d s ILE 38 Ca 0.11 -0.46 -0.04 0.00 -0.26 0.00 0.00 60.65 60.00 2k2d s ILE 38 Cb -0.12 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.52 2k2d s ILE 38 CO -0.00 0.36 -0.05 -0.22 0.24 0.00 0.00 174.94 175.28 2k2d s LEU 39 N 0.85 2.94 0.58 0.37 0.20 0.04 -1.44 118.68 122.22 2k2d s LEU 39 Ca -0.11 -0.35 -0.20 0.00 0.69 0.00 0.00 54.13 54.16 2k2d s LEU 39 Cb -0.15 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2k2d s LEU 39 CO 0.01 0.02 1.30 0.00 -0.29 0.00 0.00 176.35 177.39 2k2d h ASN 41 N 1.09 0.00 0.00 0.00 2.35 -1.68 -3.17 115.58 114.17 2k2d h ASN 41 Ca -0.51 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.13 2k2d h ASN 41 Cb 1.31 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.66 2k2d h ASN 41 CO 0.56 0.16 -1.10 -0.90 -1.65 0.00 0.00 177.43 174.49 2k2d n ASP 42 N -2.93 1.88 -0.38 5.81 5.75 -1.26 -4.59 116.55 120.83 2k2d n ASP 42 Ca 0.00 0.46 0.12 0.00 -0.01 0.00 0.00 54.79 55.36 2k2d n ASP 42 Cb 0.61 -0.84 0.15 0.00 -1.03 0.00 0.00 41.12 40.01 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 -0.33 -4.49 -4.42 0.00 4.13 -1.20 -4.98 115.26 103.98 2k2d n ASN 44 Ca 0.10 0.01 -0.33 0.00 1.68 0.00 0.00 54.58 56.05 2k2d n ASN 44 Cb 0.42 -3.75 -0.14 0.00 -1.54 0.00 0.00 39.78 34.76 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 1.51 0.01 7.41 0.00 -1.26 -4.74 107.32 108.04 2k2d s GLY 45 Ca 0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 2k2d s GLY 45 CO 0.12 -0.55 0.11 1.09 0.00 0.00 0.00 173.10 173.87 2k2d s ARG 46 N -0.29 3.14 -0.05 2.90 1.70 -1.26 -1.66 118.95 123.44 2k2d s ARG 46 Ca 0.02 -0.47 -0.02 0.00 -0.47 0.00 0.00 55.73 54.78 2k2d s ARG 46 Cb -0.13 -2.90 0.03 0.00 -0.57 0.00 0.00 34.95 31.38 2k2d s ARG 46 CO 0.03 0.64 0.11 -1.12 -1.08 0.00 0.00 175.30 173.88 2k2d s SER 47 N -1.91 -0.07 -0.47 -2.89 0.01 -0.52 -4.95 113.70 102.91 2k2d s SER 47 Ca 0.25 0.22 -0.22 0.00 1.31 0.00 0.00 55.95 57.51 2k2d s SER 47 Cb -0.12 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.27 2k2d s SER 47 CO 0.17 -0.12 0.77 -0.89 0.41 0.00 0.00 173.24 173.57 2k2d s THR 48 N 0.95 4.66 0.28 1.44 2.01 -1.26 -1.65 115.64 122.08 2k2d s THR 48 Ca -0.07 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.22 2k2d s THR 48 Cb -0.10 -4.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 2k2d s THR 48 CO -0.04 -0.76 0.13 0.68 -0.69 0.00 0.00 174.62 173.93 2k2d s VAL 49 N 3.24 0.45 0.48 3.82 -7.23 -0.44 -4.94 120.40 115.79 2k2d s VAL 49 Ca 0.27 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.24 2k2d s VAL 49 Cb -0.13 -2.57 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 2k2d s VAL 49 CO 0.21 0.00 1.06 -1.10 -0.31 0.00 0.00 175.10 174.95 2k2d s GLN 50 N -3.93 3.78 -0.51 4.82 -0.21 -1.26 -0.76 119.66 121.59 2k2d s GLN 50 Ca 0.36 1.42 -0.28 0.00 0.02 0.00 0.00 55.36 56.89 2k2d s GLN 50 Cb 0.06 -2.14 -0.01 0.00 1.00 0.00 0.00 33.01 31.92 2k2d s GLN 50 CO 0.15 -0.46 1.69 0.12 -2.12 0.00 0.00 175.29 174.67 2k2d s PHE 51 N -1.90 1.93 -0.18 0.91 5.36 -0.99 -4.59 117.98 118.51 2k2d s PHE 51 Ca 0.67 0.64 -0.21 0.00 -0.96 0.00 0.00 56.93 57.07 2k2d s PHE 51 Cb -0.18 -4.20 -0.03 0.00 -0.34 0.00 0.00 43.02 38.27 2k2d s PHE 51 CO 0.22 -2.36 0.62 -1.58 -1.46 0.00 0.00 175.22 170.66 2k2d s HIS 52 N 7.39 3.40 0.29 10.12 5.65 -1.26 -4.97 115.29 135.91 2k2d s HIS 52 Ca 0.66 0.95 0.05 0.00 0.25 0.00 0.00 55.06 56.97 2k2d s HIS 52 Cb -0.15 -2.78 0.43 0.00 -1.18 0.00 0.00 32.58 28.90 2k2d s HIS 52 CO 0.26 -0.13 1.69 0.82 -0.65 0.00 0.00 174.74 176.73 2k2d h ILE 53 N 5.12 1.31 -0.37 0.89 5.03 -2.01 -2.37 117.51 125.10 2k2d h ILE 53 Ca -0.33 -1.51 0.00 0.00 -0.12 0.00 0.00 64.86 62.90 2k2d h ILE 53 Cb 1.15 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 2k2d h ILE 53 CO 0.77 0.46 0.00 0.18 -0.68 0.00 0.00 178.15 178.88 2k2d n LEU 54 N -4.03 3.43 0.00 1.44 4.77 -1.26 -4.88 117.00 116.47 2k2d n LEU 54 Ca -0.01 -1.74 0.00 0.00 -0.03 0.00 0.00 56.01 54.23 2k2d n LEU 54 Cb 0.48 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2k2d n LEU 54 CO 0.42 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 2k2d n GLY 55 N 0.58 2.80 3.73 -0.72 0.00 -0.90 -5.09 105.19 105.59 2k2d n GLY 55 Ca 0.16 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.23 4.33 -0.35 1.61 -1.94 -1.15 -4.62 119.30 114.95 2k2d s MET 56 Ca 0.00 2.11 -0.24 0.00 -1.71 0.00 0.00 55.69 55.84 2k2d s MET 56 Cb 0.00 -3.21 0.01 0.00 2.01 0.00 0.00 34.83 33.64 2k2d s MET 56 CO 0.00 -0.39 0.85 0.21 -0.01 0.00 0.00 175.02 175.68 2k2d s LYS 57 N 0.57 3.85 -0.24 2.03 2.20 -1.26 -4.11 119.74 122.77 2k2d s LYS 57 Ca 0.62 0.51 -0.29 0.00 -0.36 0.00 0.00 55.97 56.44 2k2d s LYS 57 Cb -0.38 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 2k2d s LYS 57 CO 0.34 -0.85 1.18 0.00 -0.36 0.00 0.00 175.35 175.66 2k2d n LYS 59 N 6.76 1.40 -0.01 0.00 4.81 -1.26 -0.98 118.16 128.87 2k2d n LYS 59 Ca 0.13 -0.86 -0.01 0.00 -0.87 0.00 0.00 58.31 56.70 2k2d n LYS 59 Cb 0.46 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 34.15 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2k2d n ILE 60 N 0.04 0.08 -0.16 3.15 5.41 -1.26 -4.89 119.36 121.73 2k2d n ILE 60 Ca 0.17 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2k2d n ILE 60 Cb 0.82 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 39.15 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 -0.35 -1.06 -4.14 0.00 -0.58 -0.15 -5.03 120.64 109.33 2k2d n GLU 62 Ca 0.00 0.75 -0.34 0.00 -0.42 0.00 0.00 57.16 57.15 2k2d n GLU 62 Cb 0.04 -4.96 -0.07 0.00 -0.57 0.00 0.00 31.44 25.87 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 -2.50 5.62 0.00 1.62 0.15 -1.26 -4.85 113.70 112.49 2k2d s SER 63 Ca 0.00 0.16 0.23 0.00 0.70 0.00 0.00 55.95 57.04 2k2d s SER 63 Cb 0.00 -1.62 0.48 0.00 -1.71 0.00 0.00 66.02 63.17 2k2d s SER 63 CO 0.00 0.30 1.43 0.00 1.20 0.00 0.00 173.24 176.18 2k2d n TYR 64 N 1.43 0.64 -2.38 3.44 4.11 -1.26 -2.71 117.16 120.44 2k2d n TYR 64 Ca -0.15 -0.33 -0.36 0.00 -0.00 0.00 0.00 57.90 57.06 2k2d n TYR 64 Cb 0.53 -0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.83 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 -1.32 6.02 0.33 9.48 2.47 -1.26 -4.57 114.94 126.10 2k2d s ASN 65 Ca 0.41 -1.23 0.07 0.00 0.42 0.00 0.00 52.86 52.53 2k2d s ASN 65 Cb 0.23 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.44 2k2d s ASN 65 CO 0.32 -1.95 0.30 0.42 -3.72 0.00 0.00 177.10 172.47 2k2d s THR 66 N 6.80 0.00 -0.03 -5.21 -4.23 -1.26 -1.87 115.64 109.84 2k2d s THR 66 Ca 0.55 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 2k2d s THR 66 Cb -0.02 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.33 2k2d s THR 66 CO -0.06 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.07 2k2d s ALA 67 N -3.39 0.01 -0.07 3.99 0.00 0.06 -4.78 121.76 117.57 2k2d s ALA 67 Ca 0.40 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.41 2k2d s ALA 67 Cb 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2k2d s ALA 67 CO 0.28 -0.11 1.69 -0.65 0.00 0.00 0.00 175.76 176.97 2k2d s GLN 68 N 0.97 4.11 -1.11 0.00 -0.21 -1.26 -0.78 119.66 121.37 2k2d s GLN 68 Ca -0.08 2.16 -0.19 0.00 0.02 0.00 0.00 55.36 57.27 2k2d s GLN 68 Cb -0.11 -4.01 0.09 0.00 1.00 0.00 0.00 33.01 29.98 2k2d s GLN 68 CO -0.03 -0.94 1.46 0.00 -2.12 0.00 0.00 175.29 173.67 2k2d s ALA 69 N 4.31 3.25 0.00 6.09 0.00 -0.08 -4.63 121.76 130.70 2k2d s ALA 69 Ca 0.75 -2.75 0.00 0.00 0.00 0.00 0.00 51.96 49.96 2k2d s ALA 69 Cb -0.33 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.40 2k2d s ALA 69 CO 0.30 -3.24 0.00 0.41 0.00 0.00 0.00 175.76 173.23 2k2d n GLY 70 N 5.68 1.64 2.83 0.00 0.00 -1.26 -4.70 105.19 109.38 2k2d n GLY 70 Ca 0.36 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 2.03 3.20 -0.02 0.00 -1.26 -4.75 105.19 104.40 2k2d n GLY 71 Ca 0.00 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 2.61 -0.73 1.61 1.81 -1.26 -5.04 118.95 117.95 2k2d s ARG 72 Ca 0.00 -1.97 -0.22 0.00 -1.72 0.00 0.00 55.73 51.82 2k2d s ARG 72 Cb 0.00 -3.95 0.08 0.00 -0.45 0.00 0.00 34.95 30.63 2k2d s ARG 72 CO 0.00 -1.20 1.00 0.50 -0.68 0.00 0.00 175.30 174.92 2k2d s ARG 73 N 0.99 3.23 0.11 3.54 6.06 -1.26 -4.59 118.95 127.02 2k2d s ARG 73 Ca 0.09 -1.07 0.11 0.00 -2.50 0.00 0.00 55.73 52.36 2k2d s ARG 73 Cb -0.23 -4.42 -0.04 0.00 0.06 0.00 0.00 34.95 30.32 2k2d s ARG 73 CO -0.02 -1.81 -0.27 0.96 -2.50 0.00 0.00 175.30 171.66 2k2d s ILE 74 N 3.73 2.21 -0.14 4.11 -4.36 -1.26 -5.04 121.20 120.46 2k2d s ILE 74 Ca 0.25 -1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 58.84 2k2d s ILE 74 Cb -0.14 -1.95 -0.10 0.00 1.25 0.00 0.00 42.46 41.53 2k2d s ILE 74 CO 0.05 0.14 0.16 0.77 0.24 0.00 0.00 174.94 176.30 2k2d h SER 75 N 4.07 0.00 -3.39 4.36 4.64 -1.95 -3.49 113.55 117.80 2k2d h SER 75 Ca -0.50 -0.30 -0.44 0.00 -0.47 0.00 0.00 61.79 60.08 2k2d h SER 75 Cb 1.16 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.11 2k2d h SER 75 CO 0.40 0.85 -0.66 -0.76 -0.87 0.00 0.00 176.83 175.79 2k2d s LEU 76 N -8.28 2.32 0.14 5.97 1.02 -1.26 -5.01 118.68 113.58 2k2d s LEU 76 Ca -0.13 -1.23 -0.10 0.00 0.02 0.00 0.00 54.13 52.69 2k2d s LEU 76 Cb 0.01 -0.44 -0.04 0.00 0.02 0.00 0.00 46.19 45.73 2k2d s LEU 76 CO 0.31 -0.45 1.44 -0.78 0.02 0.00 0.00 176.35 176.88 2k2d h ASP 77 N 2.34 0.93 -0.12 2.29 3.58 -1.98 -3.16 116.42 120.31 2k2d h ASP 77 Ca -0.39 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.57 2k2d h ASP 77 Cb 1.23 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.01 2k2d h ASP 77 CO 0.66 1.27 0.00 0.00 -2.88 0.00 0.00 179.24 178.30 2k2d n GLN 78 N -4.01 1.78 0.00 0.28 0.00 -1.26 -5.15 117.38 109.02 2k2d n GLN 78 Ca -0.04 -1.16 0.14 0.00 0.00 0.00 0.00 57.00 55.94 2k2d n GLN 78 Cb 0.61 -1.44 0.61 0.00 0.00 0.00 0.00 30.24 30.02 2k2d n GLN 78 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10