#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 0.27 -0.19 3.52 -2.45 -1.26 -5.09 119.30 114.11 2k2d s MET 34 Ca 0.00 0.93 -0.05 0.00 -1.25 0.00 0.00 55.69 55.32 2k2d s MET 34 Cb 0.00 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.25 2k2d s MET 34 CO 0.00 -0.25 -0.00 0.95 1.05 0.00 0.00 175.02 176.77 2k2d s THR 35 N 2.44 4.04 0.07 10.11 -4.23 -1.26 -0.85 115.64 125.96 2k2d s THR 35 Ca -0.02 -0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.29 2k2d s THR 35 Cb -0.12 -2.81 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 2k2d s THR 35 CO -0.11 0.45 -0.23 0.68 -0.54 0.00 0.00 174.62 174.87 2k2d s VAL 36 N 0.78 1.84 -0.17 2.29 -7.23 0.10 -4.90 120.40 113.11 2k2d s VAL 36 Ca 0.00 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2k2d s VAL 36 Cb -0.14 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2k2d s VAL 36 CO 0.02 0.14 0.29 -0.62 -0.31 0.00 0.00 175.10 174.61 2k2d s ASP 37 N -1.53 6.41 0.05 4.85 2.15 -1.26 -1.64 116.67 125.70 2k2d s ASP 37 Ca 0.09 0.48 0.05 0.00 0.43 0.00 0.00 52.55 53.60 2k2d s ASP 37 Cb -0.09 -2.18 -0.02 0.00 -0.30 0.00 0.00 42.92 40.32 2k2d s ASP 37 CO 0.03 0.09 -0.15 0.27 -0.17 0.00 0.00 175.17 175.23 2k2d s ILE 38 N 0.55 1.23 -0.12 4.11 -5.25 -0.89 -1.03 121.20 119.80 2k2d s ILE 38 Ca 0.16 -1.13 -0.02 0.00 -0.99 0.00 0.00 60.65 58.67 2k2d s ILE 38 Cb -0.13 -1.12 -0.03 0.00 2.95 0.00 0.00 42.46 44.13 2k2d s ILE 38 CO 0.04 -0.02 -0.04 -0.76 -1.79 0.00 0.00 174.94 172.36 2k2d s LEU 39 N -1.32 3.26 0.41 0.37 1.43 0.42 -1.41 118.68 121.84 2k2d s LEU 39 Ca 0.02 -0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 52.81 2k2d s LEU 39 Cb -0.09 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.29 2k2d s LEU 39 CO 0.02 0.24 1.12 0.00 0.23 0.00 0.00 176.35 177.96 2k2d n ASN 41 N -0.10 3.33 0.05 0.00 3.02 -0.52 -3.26 115.26 117.78 2k2d n ASN 41 Ca 0.05 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 2k2d n ASN 41 Cb 0.48 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 1.33 0.35 -0.38 6.41 5.68 -1.26 -4.84 116.55 123.85 2k2d n ASP 42 Ca 0.21 0.15 0.12 0.00 -0.50 0.00 0.00 54.79 54.77 2k2d n ASP 42 Cb 0.54 -0.03 0.11 0.00 -1.14 0.00 0.00 41.12 40.60 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 -0.34 -5.44 -4.55 0.00 4.13 -1.20 -4.98 115.26 102.88 2k2d n ASN 44 Ca 0.10 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.07 2k2d n ASN 44 Cb 0.42 -4.53 -0.10 0.00 -1.54 0.00 0.00 39.78 34.03 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 -2.11 1.75 0.25 7.41 0.00 -1.26 -4.66 107.32 108.69 2k2d s GLY 45 Ca 0.03 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 2k2d s GLY 45 CO 0.04 -1.32 0.48 1.09 0.00 0.00 0.00 173.10 173.39 2k2d s ARG 46 N -2.34 3.57 -0.13 2.90 1.70 -1.26 -1.74 118.95 121.65 2k2d s ARG 46 Ca 0.21 -0.17 -0.06 0.00 -0.47 0.00 0.00 55.73 55.24 2k2d s ARG 46 Cb -0.10 -2.74 0.06 0.00 -0.57 0.00 0.00 34.95 31.59 2k2d s ARG 46 CO 0.13 0.30 0.29 -1.12 -1.08 0.00 0.00 175.30 173.82 2k2d s SER 47 N -3.19 -0.13 -0.50 -2.89 0.01 -0.50 -4.88 113.70 101.62 2k2d s SER 47 Ca 0.41 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 58.06 2k2d s SER 47 Cb -0.11 0.61 0.03 0.00 0.21 0.00 0.00 66.02 66.77 2k2d s SER 47 CO 0.30 -0.20 0.92 -0.89 0.41 0.00 0.00 173.24 173.78 2k2d s THR 48 N 1.71 4.45 0.28 1.44 2.01 -1.26 -2.08 115.64 122.18 2k2d s THR 48 Ca -0.06 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.46 2k2d s THR 48 Cb -0.11 -4.47 -0.03 0.00 0.01 0.00 0.00 72.50 67.91 2k2d s THR 48 CO -0.10 -0.95 0.28 0.68 -0.69 0.00 0.00 174.62 173.84 2k2d s VAL 49 N 3.80 0.00 0.25 3.82 -7.23 -0.65 -4.96 120.40 115.44 2k2d s VAL 49 Ca 0.33 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2k2d s VAL 49 Cb -0.11 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.23 2k2d s VAL 49 CO 0.23 0.00 1.14 -1.10 -0.31 0.00 0.00 175.10 175.06 2k2d s GLN 50 N -3.67 4.58 -0.04 4.82 -0.21 -1.26 -0.72 119.66 123.16 2k2d s GLN 50 Ca 0.37 1.85 -0.30 0.00 0.02 0.00 0.00 55.36 57.30 2k2d s GLN 50 Cb 0.03 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.79 2k2d s GLN 50 CO 0.19 0.10 1.61 0.12 -2.12 0.00 0.00 175.29 175.19 2k2d s PHE 51 N -0.81 2.15 -0.09 0.91 5.36 -0.03 -4.66 117.98 120.82 2k2d s PHE 51 Ca 0.47 0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2k2d s PHE 51 Cb -0.32 -3.88 0.02 0.00 -0.34 0.00 0.00 43.02 38.50 2k2d s PHE 51 CO 0.40 -3.63 -0.05 -1.58 -1.46 0.00 0.00 175.22 168.91 2k2d s HIS 52 N 3.68 1.11 0.34 10.12 5.65 -1.26 -4.92 115.29 130.00 2k2d s HIS 52 Ca 0.72 -0.46 0.18 0.00 0.25 0.00 0.00 55.06 55.75 2k2d s HIS 52 Cb -0.33 -1.00 0.93 0.00 -1.18 0.00 0.00 32.58 31.00 2k2d s HIS 52 CO 0.29 -0.39 1.88 0.82 -0.65 0.00 0.00 174.74 176.69 2k2d h ILE 53 N 6.21 0.97 -0.45 0.89 5.03 -2.03 -2.25 117.51 125.88 2k2d h ILE 53 Ca -0.27 -1.09 -0.22 0.00 -0.12 0.00 0.00 64.86 63.17 2k2d h ILE 53 Cb 1.14 1.63 -0.13 0.00 -3.03 0.00 0.00 36.82 36.42 2k2d h ILE 53 CO 0.37 0.28 0.27 0.18 -0.68 0.00 0.00 178.15 178.58 2k2d n LEU 54 N -3.85 4.60 0.00 1.44 7.99 -1.26 -4.92 117.00 121.00 2k2d n LEU 54 Ca -0.01 -2.40 0.00 0.00 -0.01 0.00 0.00 56.01 53.59 2k2d n LEU 54 Cb 0.37 -0.65 0.00 0.00 -0.11 0.00 0.00 43.42 43.03 2k2d n LEU 54 CO 0.36 0.72 0.00 0.61 -1.51 0.00 0.00 177.39 177.57 2k2d n GLY 55 N -0.21 1.50 3.73 -0.72 0.00 -0.85 -4.95 105.19 103.70 2k2d n GLY 55 Ca 0.27 -1.41 -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 -4.97 4.71 -0.36 1.61 -1.94 -1.24 -4.61 119.30 112.51 2k2d s MET 56 Ca 0.00 1.44 -0.29 0.00 -1.71 0.00 0.00 55.69 55.13 2k2d s MET 56 Cb 0.00 -3.36 -0.00 0.00 2.01 0.00 0.00 34.83 33.48 2k2d s MET 56 CO 0.00 0.27 1.57 0.21 -0.01 0.00 0.00 175.02 177.05 2k2d s LYS 57 N -0.19 3.52 -0.14 2.03 2.47 -1.26 -4.12 119.74 122.04 2k2d s LYS 57 Ca 0.46 1.18 -0.28 0.00 -1.56 0.00 0.00 55.97 55.77 2k2d s LYS 57 Cb -0.24 -4.08 -0.01 0.00 -1.46 0.00 0.00 37.83 32.04 2k2d s LYS 57 CO 0.30 -1.64 0.97 0.00 0.16 0.00 0.00 175.35 175.14 2k2d n LYS 59 N 5.26 1.13 -0.02 0.00 5.02 -1.26 -0.68 118.16 127.61 2k2d n LYS 59 Ca 0.08 -0.26 -0.13 0.00 -2.02 0.00 0.00 58.31 55.98 2k2d n LYS 59 Cb 0.48 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.71 1.65 -1.10 -0.18 5.41 -1.26 -4.68 119.36 118.49 2k2d n ILE 60 Ca 0.22 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.21 2k2d n ILE 60 Cb 0.19 -1.22 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 -1.10 -3.40 0.00 -0.58 0.15 -5.00 120.64 110.71 2k2d n GLU 62 Ca 0.00 1.02 -0.34 0.00 -0.42 0.00 0.00 57.16 57.43 2k2d n GLU 62 Cb 0.25 -5.21 -0.06 0.00 -0.57 0.00 0.00 31.44 25.86 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 -2.78 6.72 0.00 1.62 0.15 -1.25 -4.77 113.70 113.38 2k2d s SER 63 Ca 0.00 0.98 0.22 0.00 0.70 0.00 0.00 55.95 57.85 2k2d s SER 63 Cb 0.00 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2k2d s SER 63 CO 0.00 0.02 1.09 -1.22 1.20 0.00 0.00 173.24 174.33 2k2d n TYR 64 N 0.36 0.00 -2.45 3.44 4.01 -1.26 -2.33 117.16 118.93 2k2d n TYR 64 Ca -0.03 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.33 2k2d n TYR 64 Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 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 -2.23 6.19 -0.03 7.72 2.47 -1.26 -3.65 114.94 124.15 2k2d s ASN 65 Ca 0.20 -1.22 -0.05 0.00 0.42 0.00 0.00 52.86 52.21 2k2d s ASN 65 Cb 0.18 -2.57 0.01 0.00 -1.45 0.00 0.00 41.25 37.42 2k2d s ASN 65 CO 0.47 -1.79 0.12 0.42 -3.72 0.00 0.00 177.10 172.60 2k2d s THR 66 N 6.10 0.03 0.07 -5.21 -4.23 -1.26 -1.43 115.64 109.71 2k2d s THR 66 Ca 0.51 -0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 2k2d s THR 66 Cb -0.02 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.52 2k2d s THR 66 CO -0.07 -0.15 -0.18 0.00 -0.54 0.00 0.00 174.62 173.68 2k2d s ALA 67 N -0.49 2.62 0.11 3.99 0.00 -0.15 -4.89 121.76 122.96 2k2d s ALA 67 Ca -0.06 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.33 2k2d s ALA 67 Cb -0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 23.12 22.30 2k2d s ALA 67 CO 0.00 0.58 1.60 -1.14 0.00 0.00 0.00 175.76 176.81 2k2d s GLN 68 N -1.72 4.21 0.82 0.00 0.74 -1.26 -0.44 119.66 122.01 2k2d s GLN 68 Ca 0.16 2.33 -0.06 0.00 0.05 0.00 0.00 55.36 57.84 2k2d s GLN 68 Cb -0.11 -3.38 0.17 0.00 1.10 0.00 0.00 33.01 30.80 2k2d s GLN 68 CO 0.07 -0.66 1.12 0.00 -0.55 0.00 0.00 175.29 175.27 2k2d n ALA 69 N 4.79 -0.39 0.00 1.58 0.00 -0.20 -4.75 120.51 121.53 2k2d n ALA 69 Ca 0.15 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.70 2k2d n ALA 69 Cb 0.40 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.05 -1.18 2.77 0.00 0.00 -1.26 -4.90 105.19 97.57 2k2d n GLY 70 Ca 0.17 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 5.45 3.11 -0.02 0.00 -1.26 -4.94 105.19 107.53 2k2d n GLY 71 Ca 0.00 -2.44 -0.34 0.00 0.00 0.00 0.00 46.02 43.24 2k2d n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2d s ARG 72 N -2.53 2.13 -0.17 1.61 3.52 -1.26 -5.08 118.95 117.18 2k2d s ARG 72 Ca 0.39 -1.49 -0.06 0.00 -0.13 0.00 0.00 55.73 54.45 2k2d s ARG 72 Cb 0.13 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.32 2k2d s ARG 72 CO -0.02 -0.73 0.01 0.50 -0.81 0.00 0.00 175.30 174.25 2k2d s ARG 73 N 1.13 3.81 -0.35 5.12 3.00 -1.26 -5.06 118.95 125.33 2k2d s ARG 73 Ca -0.01 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.73 53.99 2k2d s ARG 73 Cb -0.20 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.69 2k2d s ARG 73 CO -0.04 0.24 1.39 0.96 0.00 0.00 0.00 175.30 177.85 2k2d s ILE 74 N 0.40 3.97 -0.38 4.11 -4.36 -1.26 -4.97 121.20 118.71 2k2d s ILE 74 Ca -0.01 1.04 -0.02 0.00 -0.26 0.00 0.00 60.65 61.41 2k2d s ILE 74 Cb -0.13 -4.14 0.10 0.00 1.25 0.00 0.00 42.46 39.54 2k2d s ILE 74 CO 0.02 -0.61 0.16 -0.44 0.24 0.00 0.00 174.94 174.31 2k2d s SER 75 N 3.55 5.16 0.23 4.36 0.01 -1.26 -5.09 113.70 120.65 2k2d s SER 75 Ca 0.60 -1.92 -0.11 0.00 1.31 0.00 0.00 55.95 55.84 2k2d s SER 75 Cb -0.16 -1.79 -0.07 0.00 0.21 0.00 0.00 66.02 64.21 2k2d s SER 75 CO 0.29 -0.48 0.57 -1.48 0.41 0.00 0.00 173.24 172.54 2k2d s LEU 76 N 1.14 4.17 0.14 2.44 2.34 -1.26 -5.09 118.68 122.56 2k2d s LEU 76 Ca 0.06 0.97 0.02 0.00 0.06 0.00 0.00 54.13 55.24 2k2d s LEU 76 Cb -0.22 -3.68 -0.04 0.00 -0.56 0.00 0.00 46.19 41.69 2k2d s LEU 76 CO -0.04 -0.07 0.29 1.51 -1.06 0.00 0.00 176.35 176.98 2k2d s ASP 77 N -2.29 6.35 0.26 1.48 -4.77 -1.26 -5.11 116.67 111.33 2k2d s ASP 77 Ca 0.47 0.21 -0.21 0.00 -3.30 0.00 0.00 52.55 49.72 2k2d s ASP 77 Cb -0.11 -1.93 0.04 0.00 -1.09 0.00 0.00 42.92 39.82 2k2d s ASP 77 CO 0.21 0.06 0.79 0.00 0.70 0.00 0.00 175.17 176.93 2k2d s GLN 78 N -3.14 1.70 0.00 2.11 -2.07 -1.26 -5.35 119.66 111.65 2k2d s GLN 78 Ca 0.35 -0.97 0.27 0.00 -1.82 0.00 0.00 55.36 53.20 2k2d s GLN 78 Cb -0.11 0.56 0.90 0.00 -1.09 0.00 0.00 33.01 33.26 2k2d s GLN 78 CO 0.28 -0.78 1.66 0.00 -1.32 0.00 0.00 175.29 175.13