#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k36 s SER 2 N 0.00 1.67 0.09 4.52 0.15 -1.26 -5.14 113.70 113.72 1k36 s SER 2 Ca 0.00 -0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.48 1k36 s SER 2 Cb 0.00 -0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1k36 s SER 2 CO 0.00 -0.30 -0.17 -0.51 1.20 0.00 0.00 173.24 173.46 1k36 s ILE 3 N 2.19 1.38 0.00 6.45 1.10 -1.26 -3.18 121.20 127.88 1k36 s ILE 3 Ca 0.04 -1.43 0.00 0.00 -0.51 0.00 0.00 60.65 58.75 1k36 s ILE 3 Cb -0.14 -1.30 0.00 0.00 0.15 0.00 0.00 42.46 41.16 1k36 s ILE 3 CO -0.07 -0.16 0.00 0.41 -2.11 0.00 0.00 174.94 173.00 1k36 n THR 4 N 1.15 0.00 -4.21 4.00 -1.04 -0.85 -4.84 114.28 108.50 1k36 n THR 4 Ca -0.20 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.64 1k36 n THR 4 Cb 0.54 -0.06 -0.11 0.00 -1.82 0.00 0.00 70.33 68.88 1k36 n THR 4 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1k36 s LYS 5 N -0.00 0.94 0.00 -2.82 1.02 -1.26 -1.39 119.74 116.23 1k36 s LYS 5 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.81 1k36 s LYS 5 Cb 0.00 -0.77 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1k36 s LYS 5 CO 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 175.35 174.57 1k36 n SER 7 N -1.61 1.20 -4.90 0.00 3.41 -1.26 -5.10 113.62 105.37 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1k36 n SER 7 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1k36 n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1k36 s SER 8 N 1.00 4.67 -1.15 4.04 0.01 -1.26 -3.63 113.70 117.38 1k36 s SER 8 Ca 0.00 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.11 1k36 s SER 8 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1k36 s SER 8 CO 0.00 -1.81 0.00 0.47 0.41 0.00 0.00 173.24 172.31 1k36 n ASP 9 N -3.27 -2.96 0.00 2.44 8.00 -1.26 -4.65 116.55 114.85 1k36 n ASP 9 Ca 0.08 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1k36 n ASP 9 Cb 0.60 -2.82 0.00 0.00 -0.02 0.00 0.00 41.12 38.88 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 10 N -1.83 3.16 -1.54 -1.24 1.56 -1.24 -4.77 117.12 111.23 1k36 n MET 10 Ca -0.11 0.00 -0.29 0.00 -0.27 0.00 0.00 57.70 57.03 1k36 n MET 10 Cb 0.38 -0.70 -0.06 0.00 2.15 0.00 0.00 33.22 34.99 1k36 n MET 10 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1k36 n ASN 11 N -1.09 6.75 -0.54 6.12 2.85 -1.26 -4.26 115.26 123.83 1k36 n ASN 11 Ca 0.00 -3.10 0.06 0.00 -0.11 0.00 0.00 54.58 51.43 1k36 n ASN 11 Cb 0.00 -1.29 0.07 0.00 1.24 0.00 0.00 39.78 39.81 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k36 n GLY 12 N 1.31 0.37 0.09 8.20 0.00 -1.26 -4.65 105.19 109.24 1k36 n GLY 12 Ca 0.52 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1k36 n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k36 n TYR 13 N 0.69 0.64 -3.47 1.61 9.36 -1.26 -4.86 117.16 119.86 1k36 n TYR 13 Ca 0.08 0.28 -0.39 0.00 3.32 0.00 0.00 57.90 61.19 1k36 n TYR 13 Cb 0.34 -0.79 -0.10 0.00 -0.63 0.00 0.00 39.34 38.16 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 n LEU 15 N 5.22 2.24 -4.16 0.00 4.77 -0.95 -4.65 117.00 119.48 1k36 n LEU 15 Ca -0.11 0.32 -0.39 0.00 -0.03 0.00 0.00 56.01 55.80 1k36 n LEU 15 Cb 0.51 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1k36 n LEU 15 CO 0.36 0.56 0.28 -1.00 -1.33 0.00 0.00 177.39 176.26 1k36 s HIS 16 N -2.46 3.72 -2.54 -1.77 3.76 -1.21 -4.99 115.29 109.79 1k36 s HIS 16 Ca -0.26 -2.71 0.00 0.00 -0.15 0.00 0.00 55.06 51.94 1k36 s HIS 16 Cb 0.06 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.38 1k36 s HIS 16 CO 0.68 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 174.14 1k36 n GLY 17 N 3.06 -1.66 3.74 -2.22 0.00 -1.26 -0.80 105.19 106.06 1k36 n GLY 17 Ca 0.15 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1k36 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k36 s GLN 18 N -1.48 2.92 -0.16 1.61 -1.52 -0.49 -4.92 119.66 115.61 1k36 s GLN 18 Ca 0.00 -0.57 -0.14 0.00 -1.95 0.00 0.00 55.36 52.70 1k36 s GLN 18 Cb 0.00 -2.76 -0.05 0.00 -0.22 0.00 0.00 33.01 29.99 1k36 s GLN 18 CO 0.00 0.63 0.30 0.00 -0.25 0.00 0.00 175.29 175.96 1k36 s ILE 20 N 0.48 0.00 -0.04 0.00 -0.00 -0.65 -4.53 121.20 116.45 1k36 s ILE 20 Ca 0.17 -1.81 0.04 0.00 -0.00 0.00 0.00 60.65 59.04 1k36 s ILE 20 Cb -0.13 -2.55 -0.00 0.00 -0.00 0.00 0.00 42.46 39.78 1k36 s ILE 20 CO 0.04 0.00 -0.14 -0.47 -0.00 0.00 0.00 174.94 174.36 1k36 s TYR 21 N -3.39 1.47 -0.09 1.37 6.14 -0.48 -2.14 117.35 120.23 1k36 s TYR 21 Ca 0.36 -0.42 -0.17 0.00 0.64 0.00 0.00 57.07 57.48 1k36 s TYR 21 Cb 0.02 -1.01 -0.05 0.00 0.42 0.00 0.00 41.96 41.34 1k36 s TYR 21 CO 0.22 -0.15 0.43 -0.51 0.64 0.00 0.00 175.55 176.18 1k36 s LEU 22 N 0.12 4.33 -0.07 6.97 2.01 -1.10 -2.00 118.68 128.95 1k36 s LEU 22 Ca -0.04 0.81 0.10 0.00 0.01 0.00 0.00 54.13 55.01 1k36 s LEU 22 Cb -0.11 -2.62 -0.24 0.00 0.01 0.00 0.00 46.19 43.24 1k36 s LEU 22 CO 0.02 0.11 0.57 0.55 1.01 0.00 0.00 176.35 178.61 1k36 n VAL 23 N 3.13 1.62 0.25 -1.59 3.14 -1.19 -2.35 118.33 121.35 1k36 n VAL 23 Ca -0.10 -0.78 0.13 0.00 -2.96 0.00 0.00 64.34 60.64 1k36 n VAL 23 Cb 0.52 -1.12 0.28 0.00 -1.06 0.00 0.00 33.84 32.46 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1k36 h ASP 24 N 0.01 0.00 -2.04 6.55 1.82 -1.93 -3.32 116.42 117.51 1k36 h ASP 24 Ca -0.33 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.81 1k36 h ASP 24 Cb 2.03 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 41.64 1k36 h ASP 24 CO 0.08 0.00 -1.11 0.23 -1.61 0.00 0.00 179.24 176.83 1k36 n MET 25 N -3.05 1.24 -0.64 0.28 2.81 -1.25 -5.05 117.12 111.46 1k36 n MET 25 Ca 0.03 -3.56 -0.08 0.00 -1.81 0.00 0.00 57.70 52.28 1k36 n MET 25 Cb 0.48 -1.72 -0.08 0.00 -0.71 0.00 0.00 33.22 31.19 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1k36 n SER 26 N 0.38 -0.73 -3.70 7.83 3.41 -0.99 -4.59 113.62 115.23 1k36 n SER 26 Ca 0.25 -0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.45 1k36 n SER 26 Cb 0.61 -0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1k36 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k36 s GLN 27 N 3.02 1.80 -0.33 4.33 -2.07 -1.23 -4.99 119.66 120.19 1k36 s GLN 27 Ca 0.47 -1.03 -0.29 0.00 -1.82 0.00 0.00 55.36 52.70 1k36 s GLN 27 Cb -0.30 0.59 0.02 0.00 -1.09 0.00 0.00 33.01 32.22 1k36 s GLN 27 CO 0.20 -0.83 1.10 -0.80 -1.32 0.00 0.00 175.29 173.64 1k36 s ASN 28 N -2.95 6.89 -0.07 12.60 -0.87 -1.26 -2.70 114.94 126.58 1k36 s ASN 28 Ca 0.12 1.02 -0.02 0.00 -1.57 0.00 0.00 52.86 52.41 1k36 s ASN 28 Cb -0.05 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 1k36 s ASN 28 CO 0.07 -0.92 0.03 -0.47 -2.57 0.00 0.00 177.10 173.24 1k36 s TYR 29 N 3.76 3.23 -0.16 2.20 6.14 -0.91 -4.96 117.35 126.65 1k36 s TYR 29 Ca 0.46 0.23 -0.04 0.00 0.64 0.00 0.00 57.07 58.36 1k36 s TYR 29 Cb -0.12 -1.79 0.06 0.00 0.42 0.00 0.00 41.96 40.54 1k36 s TYR 29 CO 0.17 0.52 0.13 0.00 0.64 0.00 0.00 175.55 177.01 1k36 s ARG 31 N 2.20 3.84 0.87 0.00 6.06 -0.88 -4.89 118.95 126.15 1k36 s ARG 31 Ca 0.04 0.70 -0.13 0.00 -2.50 0.00 0.00 55.73 53.84 1k36 s ARG 31 Cb -0.15 -3.84 0.12 0.00 0.06 0.00 0.00 34.95 31.15 1k36 s ARG 31 CO -0.09 -1.14 1.22 0.00 -2.50 0.00 0.00 175.30 172.78 1k36 s GLU 33 N -5.64 3.93 -0.74 0.00 2.12 0.02 -4.84 118.70 113.55 1k36 s GLU 33 Ca 0.66 0.92 -0.32 0.00 0.36 0.00 0.00 54.97 56.59 1k36 s GLU 33 Cb -0.09 -3.82 -0.17 0.00 0.26 0.00 0.00 34.13 30.31 1k36 s GLU 33 CO 0.51 -1.10 2.51 0.28 -0.54 0.00 0.00 175.26 176.91 1k36 n VAL 34 N 6.26 0.00 0.00 3.70 0.31 -1.26 -1.90 118.33 125.44 1k36 n VAL 34 Ca 0.12 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1k36 n VAL 34 Cb 0.48 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.22 1k36 n VAL 34 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k36 n GLY 35 N 6.50 0.41 3.90 2.92 0.00 -1.26 -5.15 105.19 112.52 1k36 n GLY 35 Ca 0.55 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.27 1k36 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k36 s TYR 36 N 0.00 1.85 -0.21 1.61 2.02 -0.80 -4.65 117.35 117.18 1k36 s TYR 36 Ca 0.00 0.44 0.13 0.00 -0.37 0.00 0.00 57.07 57.27 1k36 s TYR 36 Cb 0.00 -3.93 0.42 0.00 -0.40 0.00 0.00 41.96 38.05 1k36 s TYR 36 CO 0.00 -2.52 1.28 -2.37 -1.57 0.00 0.00 175.55 170.37 1k36 n THR 37 N -3.73 2.22 -3.85 -0.71 5.66 -1.17 -4.85 114.28 107.86 1k36 n THR 37 Ca 0.13 -2.73 -0.09 0.00 -3.05 0.00 0.00 64.05 58.31 1k36 n THR 37 Cb 0.60 -0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 69.05 1k36 n THR 37 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k36 s GLY 38 N -2.84 0.09 -0.07 1.09 0.00 -1.26 -4.99 107.32 99.34 1k36 s GLY 38 Ca 0.39 -0.59 0.05 0.00 0.00 0.00 0.00 44.72 44.57 1k36 s GLY 38 CO -0.01 -0.76 0.95 -0.62 0.00 0.00 0.00 173.10 172.66 1k36 n VAL 39 N -0.09 0.90 -2.08 1.40 0.31 -1.26 -3.50 118.33 114.00 1k36 n VAL 39 Ca -0.14 -0.47 0.01 0.00 -0.01 0.00 0.00 64.34 63.73 1k36 n VAL 39 Cb 0.63 -0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k36 n ARG 40 N 0.22 0.00 -2.08 5.55 0.00 -1.26 -4.92 116.66 114.17 1k36 n ARG 40 Ca 0.09 -1.16 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 1k36 n ARG 40 Cb 0.55 -0.41 0.00 0.00 0.00 0.00 0.00 32.46 32.60 1k36 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k36 n GLU 42 N 1.28 0.00 -4.98 0.00 2.13 -1.26 -2.23 120.64 115.58 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1k36 n GLU 42 Cb 0.21 -0.08 -0.16 0.00 0.27 0.00 0.00 31.44 31.68 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1k36 s HIS 43 N -1.00 2.68 -0.08 4.31 -3.43 -1.26 -5.06 115.29 111.45 1k36 s HIS 43 Ca 0.00 -0.89 -0.22 0.00 -0.80 0.00 0.00 55.06 53.15 1k36 s HIS 43 Cb 0.00 -1.78 -0.04 0.00 -1.43 0.00 0.00 32.58 29.33 1k36 s HIS 43 CO 0.00 -0.34 0.63 0.12 -2.00 0.00 0.00 174.74 173.15 1k36 s PHE 44 N 0.38 3.57 -0.13 0.38 5.36 -1.26 -3.01 117.98 123.26 1k36 s PHE 44 Ca -0.15 1.15 0.09 0.00 -0.96 0.00 0.00 56.93 57.06 1k36 s PHE 44 Cb -0.17 -2.72 -0.23 0.00 -0.34 0.00 0.00 43.02 39.55 1k36 s PHE 44 CO 0.07 0.12 0.31 0.34 -1.46 0.00 0.00 175.22 174.60 1k36 n PHE 45 N 3.69 0.63 2.00 10.12 7.35 -1.26 -4.93 117.46 135.06 1k36 n PHE 45 Ca -0.03 0.19 0.16 0.00 -0.76 0.00 0.00 57.45 57.01 1k36 n PHE 45 Cb 0.51 -1.10 0.95 0.00 0.35 0.00 0.00 39.48 40.19 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28