#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 3.40 -0.23 1.20 1.75 -1.26 -5.01 119.30 119.15 2k2d s MET 34 Ca 0.00 -1.37 -0.10 0.00 -1.25 0.00 0.00 55.69 52.97 2k2d s MET 34 Cb 0.00 -4.67 -0.05 0.00 2.84 0.00 0.00 34.83 32.95 2k2d s MET 34 CO 0.00 -1.81 0.14 0.95 -0.65 0.00 0.00 175.02 173.65 2k2d s THR 35 N 3.32 5.23 0.02 10.11 -4.23 -1.26 -1.64 115.64 127.18 2k2d s THR 35 Ca 0.29 0.13 0.06 0.00 -1.18 0.00 0.00 61.69 60.99 2k2d s THR 35 Cb -0.10 -3.43 -0.03 0.00 1.34 0.00 0.00 72.50 70.29 2k2d s THR 35 CO -0.02 0.37 -0.16 0.68 -0.54 0.00 0.00 174.62 174.95 2k2d s VAL 36 N 0.95 2.96 -0.24 2.29 -7.23 0.01 -4.90 120.40 114.24 2k2d s VAL 36 Ca 0.07 -1.03 -0.16 0.00 -1.81 0.00 0.00 61.98 59.05 2k2d s VAL 36 Cb -0.13 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2k2d s VAL 36 CO 0.03 0.40 0.42 -0.62 -0.31 0.00 0.00 175.10 175.03 2k2d s ASP 37 N -1.27 6.38 0.06 4.85 2.15 -1.26 -2.09 116.67 125.49 2k2d s ASP 37 Ca 0.14 0.45 0.07 0.00 0.43 0.00 0.00 52.55 53.64 2k2d s ASP 37 Cb -0.11 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2k2d s ASP 37 CO 0.05 -0.17 -0.16 0.27 -0.17 0.00 0.00 175.17 174.98 2k2d s ILE 38 N 1.83 2.92 0.10 4.11 -4.36 -0.72 -0.82 121.20 124.25 2k2d s ILE 38 Ca 0.18 -1.24 0.06 0.00 -0.26 0.00 0.00 60.65 59.39 2k2d s ILE 38 Cb -0.15 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 2k2d s ILE 38 CO 0.09 0.26 -0.04 -0.22 0.24 0.00 0.00 174.94 175.27 2k2d s LEU 39 N -1.68 3.30 0.12 0.37 0.20 -0.14 -1.04 118.68 119.82 2k2d s LEU 39 Ca 0.16 -0.26 -0.08 0.00 0.69 0.00 0.00 54.13 54.64 2k2d s LEU 39 Cb -0.11 -2.06 -0.06 0.00 -0.43 0.00 0.00 46.19 43.54 2k2d s LEU 39 CO 0.07 0.17 0.41 0.00 -0.29 0.00 0.00 176.35 176.72 2k2d h ASN 41 N 3.20 0.00 0.02 0.00 4.21 -1.82 -3.17 115.58 118.02 2k2d h ASN 41 Ca -0.48 0.00 -0.39 0.00 1.21 0.00 0.00 56.30 56.64 2k2d h ASN 41 Cb 1.18 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 38.32 2k2d h ASN 41 CO 0.69 0.93 -2.35 -0.90 -1.29 0.00 0.00 177.43 174.52 2k2d n ASP 42 N -3.03 1.99 -0.55 5.81 5.75 -1.26 -4.54 116.55 120.72 2k2d n ASP 42 Ca -0.15 0.04 0.09 0.00 -0.01 0.00 0.00 54.79 54.77 2k2d n ASP 42 Cb 1.01 -0.60 0.03 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.35 -5.02 -4.46 0.00 4.13 -1.20 -4.99 115.26 104.08 2k2d n ASN 44 Ca 0.09 -0.02 -0.30 0.00 1.68 0.00 0.00 54.58 56.04 2k2d n ASN 44 Cb 0.43 -4.17 -0.12 0.00 -1.54 0.00 0.00 39.78 34.37 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 -2.21 1.63 -0.03 7.41 0.00 -1.26 -4.74 107.32 108.12 2k2d s GLY 45 Ca 0.09 -1.33 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 2k2d s GLY 45 CO 0.11 -1.28 0.08 1.09 0.00 0.00 0.00 173.10 173.09 2k2d s ARG 46 N -1.92 3.12 -0.09 2.90 1.70 -1.26 -1.82 118.95 121.57 2k2d s ARG 46 Ca 0.16 -0.42 0.01 0.00 -0.47 0.00 0.00 55.73 55.01 2k2d s ARG 46 Cb -0.10 -2.90 0.02 0.00 -0.57 0.00 0.00 34.95 31.39 2k2d s ARG 46 CO 0.08 0.67 -0.09 -1.12 -1.08 0.00 0.00 175.30 173.76 2k2d s SER 47 N -1.52 1.97 -0.51 -2.89 0.01 -0.20 -4.98 113.70 105.58 2k2d s SER 47 Ca 0.21 -0.30 -0.24 0.00 1.31 0.00 0.00 55.95 56.93 2k2d s SER 47 Cb -0.12 -0.82 0.04 0.00 0.21 0.00 0.00 66.02 65.33 2k2d s SER 47 CO 0.11 -0.06 0.87 -0.89 0.41 0.00 0.00 173.24 173.68 2k2d s THR 48 N 1.27 4.51 0.40 1.44 2.01 -1.26 -1.76 115.64 122.25 2k2d s THR 48 Ca -0.03 0.30 0.03 0.00 0.31 0.00 0.00 61.69 62.30 2k2d s THR 48 Cb -0.14 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2k2d s THR 48 CO -0.03 -0.95 0.08 0.68 -0.69 0.00 0.00 174.62 173.70 2k2d s VAL 49 N 3.63 0.97 0.65 3.82 -7.23 -0.89 -4.97 120.40 116.39 2k2d s VAL 49 Ca 0.30 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2k2d s VAL 49 Cb -0.13 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 2k2d s VAL 49 CO 0.20 0.00 1.06 0.00 -0.31 0.00 0.00 175.10 176.06 2k2d s GLN 50 N -3.80 3.05 -0.44 4.82 -2.07 -1.26 -0.81 119.66 119.15 2k2d s GLN 50 Ca 0.25 1.10 -0.29 0.00 -1.82 0.00 0.00 55.36 54.60 2k2d s GLN 50 Cb 0.05 -2.00 0.02 0.00 -1.09 0.00 0.00 33.01 29.99 2k2d s GLN 50 CO 0.13 -1.02 1.26 0.12 -1.32 0.00 0.00 175.29 174.46 2k2d s PHE 51 N -2.75 2.64 -0.23 9.60 5.36 -0.65 -4.66 117.98 127.28 2k2d s PHE 51 Ca 0.61 0.72 0.02 0.00 -0.96 0.00 0.00 56.93 57.32 2k2d s PHE 51 Cb -0.15 -4.34 0.05 0.00 -0.34 0.00 0.00 43.02 38.24 2k2d s PHE 51 CO 0.46 -1.59 -0.10 -1.58 -1.46 0.00 0.00 175.22 170.95 2k2d s HIS 52 N 4.86 2.82 0.34 10.12 5.65 -1.26 -5.00 115.29 132.82 2k2d s HIS 52 Ca 0.54 -1.96 0.12 0.00 0.25 0.00 0.00 55.06 54.01 2k2d s HIS 52 Cb -0.10 -1.78 0.62 0.00 -1.18 0.00 0.00 32.58 30.13 2k2d s HIS 52 CO 0.31 -0.82 1.77 0.82 -0.65 0.00 0.00 174.74 176.18 2k2d h ILE 53 N 6.58 1.31 -0.00 0.89 2.04 -2.03 -2.49 117.51 123.81 2k2d h ILE 53 Ca -0.23 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2k2d h ILE 53 Cb 1.07 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2k2d h ILE 53 CO 0.47 0.42 -0.00 0.18 0.00 0.00 0.00 178.15 179.22 2k2d n LEU 54 N -4.03 0.29 0.00 1.44 4.77 -1.26 -4.89 117.00 113.32 2k2d n LEU 54 Ca -0.02 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2k2d n LEU 54 Cb 0.46 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2k2d n LEU 54 CO 0.40 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2k2d n GLY 55 N 1.04 3.45 3.46 -0.72 0.00 -0.94 -5.08 105.19 106.39 2k2d n GLY 55 Ca 0.23 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.18 3.03 -0.14 1.61 -1.94 -1.23 -4.77 119.30 112.68 2k2d s MET 56 Ca 0.00 -0.95 -0.29 0.00 -1.71 0.00 0.00 55.69 52.73 2k2d s MET 56 Cb 0.00 -4.00 -0.01 0.00 2.01 0.00 0.00 34.83 32.83 2k2d s MET 56 CO 0.00 -0.86 1.05 0.21 -0.01 0.00 0.00 175.02 175.41 2k2d s LYS 57 N 1.92 4.36 -0.16 2.03 2.20 -1.26 -4.61 119.74 124.22 2k2d s LYS 57 Ca 0.08 1.42 -0.29 0.00 -0.36 0.00 0.00 55.97 56.83 2k2d s LYS 57 Cb -0.19 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.52 2k2d s LYS 57 CO 0.11 -0.44 1.42 0.00 -0.36 0.00 0.00 175.35 176.08 2k2d n LYS 59 N 6.99 0.58 -0.03 0.00 5.02 -1.26 -1.43 118.16 128.03 2k2d n LYS 59 Ca 0.16 0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 2k2d n LYS 59 Cb 0.45 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.18 1.64 -1.16 -0.18 5.41 -1.26 -4.70 119.36 117.92 2k2d n ILE 60 Ca 0.16 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.16 2k2d n ILE 60 Cb 0.17 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 37.90 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 0.00 -0.85 -4.24 0.00 -0.58 -0.51 -5.01 120.64 109.46 2k2d n GLU 62 Ca 0.00 0.87 -0.32 0.00 -0.42 0.00 0.00 57.16 57.29 2k2d n GLU 62 Cb 0.36 -4.90 -0.08 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 -2.81 5.16 0.00 1.62 0.15 -1.25 -4.87 113.70 111.70 2k2d s SER 63 Ca 0.00 -0.02 0.24 0.00 0.70 0.00 0.00 55.95 56.86 2k2d s SER 63 Cb 0.00 -1.34 0.42 0.00 -1.71 0.00 0.00 66.02 63.39 2k2d s SER 63 CO 0.00 0.26 1.39 -1.22 1.20 0.00 0.00 173.24 174.87 2k2d n TYR 64 N 1.21 0.24 -2.52 3.44 4.01 -1.26 -2.30 117.16 119.97 2k2d n TYR 64 Ca -0.14 -0.12 -0.40 0.00 -0.16 0.00 0.00 57.90 57.08 2k2d n TYR 64 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.53 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2k2d s ASN 65 N -1.74 6.45 0.02 7.72 2.47 -1.26 -4.87 114.94 123.73 2k2d s ASN 65 Ca 0.34 -1.58 -0.02 0.00 0.42 0.00 0.00 52.86 52.02 2k2d s ASN 65 Cb 0.21 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.42 2k2d s ASN 65 CO 0.31 -1.56 0.00 0.42 -3.72 0.00 0.00 177.10 172.56 2k2d s THR 66 N 5.28 0.12 0.54 -5.21 -4.23 -1.26 -2.37 115.64 108.51 2k2d s THR 66 Ca 0.49 -1.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2k2d s THR 66 Cb 0.00 -0.49 0.04 0.00 1.34 0.00 0.00 72.50 73.39 2k2d s THR 66 CO -0.06 -0.55 0.34 0.00 -0.54 0.00 0.00 174.62 173.81 2k2d n ALA 67 N 1.33 0.78 -2.73 3.99 0.00 0.34 -4.93 120.51 119.29 2k2d n ALA 67 Ca -0.22 -2.22 -0.36 0.00 0.00 0.00 0.00 53.44 50.63 2k2d n ALA 67 Cb 0.56 0.97 -0.07 0.00 0.00 0.00 0.00 19.45 20.91 2k2d n ALA 67 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2k2d s GLN 68 N -4.19 4.25 0.00 0.00 0.74 -1.26 -0.97 119.66 118.24 2k2d s GLN 68 Ca 0.26 0.10 0.27 0.00 0.05 0.00 0.00 55.36 56.03 2k2d s GLN 68 Cb -0.02 -3.43 0.83 0.00 1.10 0.00 0.00 33.01 31.49 2k2d s GLN 68 CO 0.16 0.24 1.61 0.00 -0.55 0.00 0.00 175.29 176.75 2k2d n ALA 69 N 3.57 3.00 -0.86 1.58 0.00 -0.00 -4.02 120.51 123.77 2k2d n ALA 69 Ca -0.12 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 2k2d n ALA 69 Cb 0.52 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.83 2k2d n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2d n GLY 70 N 1.32 3.76 3.67 0.00 0.00 -1.07 -4.93 105.19 107.93 2k2d n GLY 70 Ca 0.13 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 0.63 1.74 0.16 -0.02 0.00 -1.26 -4.99 107.32 103.58 2k2d s GLY 71 Ca 0.28 0.54 -0.30 0.00 0.00 0.00 0.00 44.72 45.24 2k2d s GLY 71 CO -0.02 2.48 1.04 0.50 0.00 0.00 0.00 173.10 177.10 2k2d s ARG 72 N 3.23 4.64 -0.19 2.90 0.52 -1.26 -5.00 118.95 123.79 2k2d s ARG 72 Ca 0.57 1.61 -0.26 0.00 -0.52 0.00 0.00 55.73 57.13 2k2d s ARG 72 Cb -0.24 -3.31 -0.01 0.00 0.52 0.00 0.00 34.95 31.91 2k2d s ARG 72 CO 0.18 0.14 0.88 0.50 0.02 0.00 0.00 175.30 177.02 2k2d s ARG 73 N -0.27 4.28 -0.03 3.54 3.52 -1.26 -5.05 118.95 123.68 2k2d s ARG 73 Ca 0.48 1.08 0.05 0.00 -0.13 0.00 0.00 55.73 57.21 2k2d s ARG 73 Cb -0.27 -3.60 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 2k2d s ARG 73 CO 0.33 -0.41 -0.17 -1.50 -0.81 0.00 0.00 175.30 172.73 2k2d s ILE 74 N 2.44 2.82 -0.38 4.11 2.07 -1.26 -5.10 121.20 125.90 2k2d s ILE 74 Ca 0.39 -0.88 -0.23 0.00 -1.41 0.00 0.00 60.65 58.52 2k2d s ILE 74 Cb -0.16 -2.10 0.01 0.00 0.13 0.00 0.00 42.46 40.34 2k2d s ILE 74 CO 0.11 0.54 0.77 -0.55 -1.91 0.00 0.00 174.94 173.90 2k2d s SER 75 N -0.83 6.52 -0.08 4.50 0.15 -1.26 -5.02 113.70 117.67 2k2d s SER 75 Ca 0.12 0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.96 2k2d s SER 75 Cb -0.10 -2.39 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 2k2d s SER 75 CO 0.01 -0.75 0.20 -1.48 1.20 0.00 0.00 173.24 172.42 2k2d s LEU 76 N 3.10 0.99 -0.38 3.45 2.34 -1.26 -5.13 118.68 121.79 2k2d s LEU 76 Ca 0.30 0.42 -0.21 0.00 0.06 0.00 0.00 54.13 54.70 2k2d s LEU 76 Cb -0.13 0.66 0.01 0.00 -0.56 0.00 0.00 46.19 46.17 2k2d s LEU 76 CO 0.18 -0.10 0.66 -0.62 -1.06 0.00 0.00 176.35 175.41 2k2d s ASP 77 N 0.49 6.41 -0.09 1.48 2.15 -1.26 -5.03 116.67 120.82 2k2d s ASP 77 Ca -0.03 0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.98 2k2d s ASP 77 Cb -0.05 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.26 2k2d s ASP 77 CO -0.02 -0.68 -0.09 0.00 -0.17 0.00 0.00 175.17 174.21 2k2d s GLN 78 N 2.83 1.50 0.00 4.34 -2.07 -1.26 -5.35 119.66 119.64 2k2d s GLN 78 Ca 0.25 -0.28 0.10 0.00 -1.82 0.00 0.00 55.36 53.61 2k2d s GLN 78 Cb -0.14 -1.44 0.08 0.00 -1.09 0.00 0.00 33.01 30.42 2k2d s GLN 78 CO 0.17 -0.15 0.83 0.94 -1.32 0.00 0.00 175.29 175.76