#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 0.93 -0.19 1.20 0.00 -1.26 -5.10 119.30 114.88 2k2d s MET 34 Ca 0.00 -1.49 -0.19 0.00 0.00 0.00 0.00 55.69 54.01 2k2d s MET 34 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 2k2d s MET 34 CO 0.00 -1.08 0.56 0.95 0.00 0.00 0.00 175.02 175.44 2k2d s THR 35 N 1.04 5.08 0.13 10.11 -4.23 -1.26 -0.76 115.64 125.74 2k2d s THR 35 Ca 0.14 1.04 0.10 0.00 -1.18 0.00 0.00 61.69 61.79 2k2d s THR 35 Cb -0.21 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.71 2k2d s THR 35 CO -0.12 0.16 -0.24 0.68 -0.54 0.00 0.00 174.62 174.57 2k2d s VAL 36 N 1.69 2.46 -0.22 2.29 -7.23 0.19 -4.92 120.40 114.66 2k2d s VAL 36 Ca 0.26 -1.68 -0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2k2d s VAL 36 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2k2d s VAL 36 CO 0.10 0.08 0.12 -0.62 -0.31 0.00 0.00 175.10 174.47 2k2d s ASP 37 N -2.11 5.80 -0.10 4.85 2.15 -1.26 -1.33 116.67 124.66 2k2d s ASP 37 Ca 0.16 0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.22 2k2d s ASP 37 Cb -0.10 -2.03 -0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2k2d s ASP 37 CO 0.08 0.08 -0.22 0.27 -0.17 0.00 0.00 175.17 175.20 2k2d s ILE 38 N 0.95 2.21 -0.15 4.11 -4.36 -0.80 -1.14 121.20 122.03 2k2d s ILE 38 Ca 0.06 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.45 2k2d s ILE 38 Cb -0.13 -1.86 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 2k2d s ILE 38 CO 0.03 0.55 -0.04 -0.22 0.24 0.00 0.00 174.94 175.50 2k2d s LEU 39 N 0.33 3.21 0.25 0.37 0.20 0.11 -1.34 118.68 121.82 2k2d s LEU 39 Ca -0.18 -0.14 -0.30 0.00 0.69 0.00 0.00 54.13 54.21 2k2d s LEU 39 Cb -0.18 -1.77 -0.09 0.00 -0.43 0.00 0.00 46.19 43.72 2k2d s LEU 39 CO 0.08 0.18 1.02 0.00 -0.29 0.00 0.00 176.35 177.34 2k2d n ASN 41 N 1.43 0.53 -0.01 0.00 3.02 -0.95 -3.87 115.26 115.42 2k2d n ASN 41 Ca -0.01 0.16 -0.04 0.00 -0.03 0.00 0.00 54.58 54.66 2k2d n ASN 41 Cb 0.46 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.53 2k2d n ASN 41 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k2d n ASP 42 N -1.85 0.36 -0.26 6.41 9.92 -1.26 -4.77 116.55 125.10 2k2d n ASP 42 Ca 0.05 0.06 0.14 0.00 -0.53 0.00 0.00 54.79 54.51 2k2d n ASP 42 Cb 0.39 -0.14 0.64 0.00 -0.64 0.00 0.00 41.12 41.37 2k2d n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2d n ASN 44 N -0.44 -7.42 0.00 0.00 4.13 -1.25 -5.04 115.26 105.24 2k2d n ASN 44 Ca 0.19 0.56 0.00 0.00 1.68 0.00 0.00 54.58 57.01 2k2d n ASN 44 Cb 0.27 -4.43 0.00 0.00 -1.54 0.00 0.00 39.78 34.09 2k2d n ASN 44 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k2d n GLY 45 N 0.01 2.67 3.52 7.41 0.00 -1.26 -4.99 105.19 112.56 2k2d n GLY 45 Ca 0.05 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 2k2d n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k2d s ARG 46 N -2.00 1.86 -0.08 1.61 1.70 -1.26 -1.26 118.95 119.51 2k2d s ARG 46 Ca 0.00 -1.54 -0.01 0.00 -0.47 0.00 0.00 55.73 53.72 2k2d s ARG 46 Cb 0.00 -1.95 0.03 0.00 -0.57 0.00 0.00 34.95 32.46 2k2d s ARG 46 CO 0.00 0.37 -0.03 -1.12 -1.08 0.00 0.00 175.30 173.45 2k2d s SER 47 N -3.22 1.65 -0.46 -2.89 0.01 -0.45 -4.96 113.70 103.38 2k2d s SER 47 Ca 0.27 -0.15 -0.23 0.00 1.31 0.00 0.00 55.95 57.15 2k2d s SER 47 Cb -0.07 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.64 2k2d s SER 47 CO 0.15 -0.15 0.80 -0.89 0.41 0.00 0.00 173.24 173.56 2k2d s THR 48 N 1.73 4.62 0.34 1.44 2.01 -1.26 -1.90 115.64 122.62 2k2d s THR 48 Ca 0.02 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.45 2k2d s THR 48 Cb -0.13 -4.35 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 2k2d s THR 48 CO -0.05 -0.77 0.07 0.68 -0.69 0.00 0.00 174.62 173.86 2k2d s VAL 49 N 3.36 1.02 0.24 3.82 -7.23 -0.44 -4.92 120.40 116.24 2k2d s VAL 49 Ca 0.30 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.17 2k2d s VAL 49 Cb -0.12 -2.68 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 2k2d s VAL 49 CO 0.22 0.00 1.07 -1.10 -0.31 0.00 0.00 175.10 174.98 2k2d s GLN 50 N -3.87 4.67 -0.02 4.82 -0.21 -1.26 -0.64 119.66 123.15 2k2d s GLN 50 Ca 0.33 1.72 -0.30 0.00 0.02 0.00 0.00 55.36 57.13 2k2d s GLN 50 Cb 0.07 -3.24 -0.06 0.00 1.00 0.00 0.00 33.01 30.78 2k2d s GLN 50 CO 0.15 0.22 1.66 0.12 -2.12 0.00 0.00 175.29 175.33 2k2d s PHE 51 N -0.85 2.04 -0.11 0.91 5.36 0.06 -4.84 117.98 120.55 2k2d s PHE 51 Ca 0.45 0.20 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 2k2d s PHE 51 Cb -0.30 -3.93 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 2k2d s PHE 51 CO 0.37 -3.91 -0.23 -1.58 -1.46 0.00 0.00 175.22 168.41 2k2d s HIS 52 N 3.75 2.60 0.27 10.12 5.65 -1.26 -4.94 115.29 131.48 2k2d s HIS 52 Ca 0.74 -1.13 -0.01 0.00 0.25 0.00 0.00 55.06 54.92 2k2d s HIS 52 Cb -0.35 -1.74 0.38 0.00 -1.18 0.00 0.00 32.58 29.69 2k2d s HIS 52 CO 0.31 -0.47 1.77 0.82 -0.65 0.00 0.00 174.74 176.52 2k2d h ILE 53 N 5.74 1.24 -0.00 0.89 1.08 -2.04 -2.53 117.51 121.88 2k2d h ILE 53 Ca -0.23 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 2k2d h ILE 53 Cb 1.22 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.91 2k2d h ILE 53 CO 0.50 0.35 -0.11 0.18 -0.69 0.00 0.00 178.15 178.38 2k2d n LEU 54 N -4.21 0.25 0.00 1.44 7.99 -1.26 -4.95 117.00 116.25 2k2d n LEU 54 Ca 0.02 0.19 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2k2d n LEU 54 Cb 0.30 -0.29 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 2k2d n LEU 54 CO 0.41 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.95 2k2d n GLY 55 N 1.36 4.13 3.74 -0.72 0.00 -0.95 -5.09 105.19 107.67 2k2d n GLY 55 Ca 0.11 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -5.04 4.39 -0.17 1.61 -1.94 -1.26 -4.69 119.30 112.21 2k2d s MET 56 Ca 0.00 0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 54.66 2k2d s MET 56 Cb 0.00 -3.38 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 2k2d s MET 56 CO 0.00 0.24 0.34 0.21 -0.01 0.00 0.00 175.02 175.80 2k2d s LYS 57 N 0.19 4.25 0.09 2.03 2.20 -1.26 -4.60 119.74 122.65 2k2d s LYS 57 Ca 0.34 0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.81 2k2d s LYS 57 Cb -0.18 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.60 2k2d s LYS 57 CO 0.18 0.15 1.54 0.00 -0.36 0.00 0.00 175.35 176.87 2k2d n LYS 59 N 4.79 1.93 0.00 0.00 5.02 -1.26 -1.19 118.16 127.46 2k2d n LYS 59 Ca 0.14 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 55.05 2k2d n LYS 59 Cb 0.41 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k2d n ILE 60 N -0.08 0.00 -0.27 -0.18 5.41 -1.26 -4.86 119.36 118.12 2k2d n ILE 60 Ca 0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.98 2k2d n ILE 60 Cb 0.93 -0.78 0.00 0.00 -0.71 0.00 0.00 39.64 39.07 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 -0.03 -1.66 -4.37 0.00 1.02 -0.33 -5.00 120.64 110.27 2k2d n GLU 62 Ca 0.00 1.04 -0.24 0.00 -0.02 0.00 0.00 57.16 57.95 2k2d n GLU 62 Cb 0.08 -5.66 -0.09 0.00 -0.02 0.00 0.00 31.44 25.76 2k2d n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k2d s SER 63 N -2.17 4.10 -0.36 1.62 0.15 -1.26 -4.78 113.70 111.00 2k2d s SER 63 Ca 0.00 -0.85 0.05 0.00 0.70 0.00 0.00 55.95 55.85 2k2d s SER 63 Cb 0.00 -0.58 0.63 0.00 -1.71 0.00 0.00 66.02 64.36 2k2d s SER 63 CO 0.00 -0.01 1.78 0.00 1.20 0.00 0.00 173.24 176.21 2k2d n TYR 64 N -0.79 2.57 -0.74 3.44 9.36 -1.26 -2.44 117.16 127.31 2k2d n TYR 64 Ca -0.06 -1.49 -0.13 0.00 3.32 0.00 0.00 57.90 59.55 2k2d n TYR 64 Cb 0.60 -0.79 0.03 0.00 -0.63 0.00 0.00 39.34 38.55 2k2d n TYR 64 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2k2d n ASN 65 N -0.66 6.01 -4.50 2.98 6.94 -1.26 -4.88 115.26 119.90 2k2d n ASN 65 Ca 0.48 -2.90 -0.31 0.00 -0.02 0.00 0.00 54.58 51.82 2k2d n ASN 65 Cb 1.46 -1.04 -0.12 0.00 -2.36 0.00 0.00 39.78 37.72 2k2d n ASN 65 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2k2d s THR 66 N -1.75 3.05 -0.12 5.53 -4.23 -1.26 -2.23 115.64 114.63 2k2d s THR 66 Ca 0.24 -1.01 -0.03 0.00 -1.18 0.00 0.00 61.69 59.71 2k2d s THR 66 Cb 0.19 -2.28 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 2k2d s THR 66 CO -0.00 0.39 0.00 0.00 -0.54 0.00 0.00 174.62 174.47 2k2d s ALA 67 N -0.91 3.23 -0.11 3.99 0.00 -0.15 -4.88 121.76 122.93 2k2d s ALA 67 Ca 0.15 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.02 2k2d s ALA 67 Cb -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 2k2d s ALA 67 CO 0.05 0.43 1.73 -1.14 0.00 0.00 0.00 175.76 176.83 2k2d s GLN 68 N -0.38 3.96 -0.73 0.00 0.74 -1.26 -0.71 119.66 121.28 2k2d s GLN 68 Ca 0.07 2.06 -0.23 0.00 0.05 0.00 0.00 55.36 57.31 2k2d s GLN 68 Cb -0.12 -4.06 0.07 0.00 1.10 0.00 0.00 33.01 30.00 2k2d s GLN 68 CO 0.02 -1.11 1.09 0.00 -0.55 0.00 0.00 175.29 174.74 2k2d s ALA 69 N 4.83 3.02 -0.35 1.58 0.00 -0.29 -4.82 121.76 125.73 2k2d s ALA 69 Ca 0.77 -1.85 0.14 0.00 0.00 0.00 0.00 51.96 51.03 2k2d s ALA 69 Cb -0.32 -4.02 0.45 0.00 0.00 0.00 0.00 23.12 19.23 2k2d s ALA 69 CO 0.31 -2.98 1.03 0.41 0.00 0.00 0.00 175.76 174.53 2k2d n GLY 70 N 5.47 3.09 0.00 0.00 0.00 -1.26 -4.71 105.19 107.77 2k2d n GLY 70 Ca 0.03 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.27 -0.38 3.27 -0.02 0.00 -1.26 -5.17 105.19 101.35 2k2d n GLY 71 Ca 0.19 0.61 -0.15 0.00 0.00 0.00 0.00 46.02 46.67 2k2d n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k2d s ARG 72 N 2.75 1.12 0.05 1.61 1.70 -1.26 -5.16 118.95 119.76 2k2d s ARG 72 Ca 0.00 -1.49 0.04 0.00 -0.47 0.00 0.00 55.73 53.81 2k2d s ARG 72 Cb 0.00 -0.71 -0.03 0.00 -0.57 0.00 0.00 34.95 33.64 2k2d s ARG 72 CO 0.00 0.08 -0.11 -0.98 -1.08 0.00 0.00 175.30 173.22 2k2d s ARG 73 N -3.74 0.67 0.01 3.89 1.04 -1.26 -5.12 118.95 114.44 2k2d s ARG 73 Ca 0.18 -0.82 -0.30 0.00 -1.04 0.00 0.00 55.73 53.75 2k2d s ARG 73 Cb 0.02 -0.55 -0.04 0.00 -2.04 0.00 0.00 34.95 32.34 2k2d s ARG 73 CO 0.02 0.12 1.18 0.42 -0.04 0.00 0.00 175.30 176.99 2k2d s ILE 74 N -1.27 4.22 -0.62 4.99 -1.09 -1.26 -4.99 121.20 121.18 2k2d s ILE 74 Ca -0.06 1.58 -0.21 0.00 -2.23 0.00 0.00 60.65 59.73 2k2d s ILE 74 Cb -0.10 -4.01 0.08 0.00 -1.58 0.00 0.00 42.46 36.85 2k2d s ILE 74 CO 0.01 0.07 0.84 -0.55 -1.23 0.00 0.00 174.94 174.08 2k2d s SER 75 N 1.23 6.18 -0.36 3.58 0.15 -1.26 -4.98 113.70 118.25 2k2d s SER 75 Ca 0.57 -1.15 0.03 0.00 0.70 0.00 0.00 55.95 56.09 2k2d s SER 75 Cb -0.26 -2.36 0.10 0.00 -1.71 0.00 0.00 66.02 61.79 2k2d s SER 75 CO 0.26 -1.27 0.09 -0.22 1.20 0.00 0.00 173.24 173.30 2k2d s LEU 76 N 3.41 4.06 0.00 3.45 2.96 -1.26 -4.82 118.68 126.48 2k2d s LEU 76 Ca 0.18 -2.16 0.00 0.00 -0.22 0.00 0.00 54.13 51.93 2k2d s LEU 76 Cb -0.20 -1.43 0.00 0.00 0.50 0.00 0.00 46.19 45.06 2k2d s LEU 76 CO 0.09 -0.37 0.24 -0.67 -1.32 0.00 0.00 176.35 174.32 2k2d n ASP 77 N 4.23 0.49 0.06 3.68 2.03 -1.26 -4.81 116.55 120.97 2k2d n ASP 77 Ca 0.03 -0.83 -0.10 0.00 0.52 0.00 0.00 54.79 54.41 2k2d n ASP 77 Cb 0.41 0.16 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 2k2d n ASP 77 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2k2d h GLN 78 N 0.00 -0.23 -0.02 -0.67 4.20 -2.04 -3.58 115.11 112.77 2k2d h GLN 78 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2k2d h GLN 78 Cb 0.13 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2k2d h GLN 78 CO 0.00 0.18 0.00 1.04 -0.67 0.00 0.00 178.83 179.38