#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 3.36 0.15 -1.34 0.01 -1.26 -5.12 113.70 109.49 1k36 s SER 2 Ca 0.00 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.22 1k36 s SER 2 Cb 0.00 -0.74 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1k36 s SER 2 CO 0.00 -0.33 -0.13 -0.51 0.41 0.00 0.00 173.24 172.68 1k36 s ILE 3 N 1.74 1.36 0.37 1.44 2.07 -1.26 -3.20 121.20 123.71 1k36 s ILE 3 Ca 0.01 -1.92 0.07 0.00 -1.41 0.00 0.00 60.65 57.40 1k36 s ILE 3 Cb -0.17 -1.73 -0.07 0.00 0.13 0.00 0.00 42.46 40.62 1k36 s ILE 3 CO -0.13 -0.56 -0.02 -0.89 -1.91 0.00 0.00 174.94 171.43 1k36 s THR 4 N -2.67 1.93 0.26 4.00 2.01 -0.97 -4.86 115.64 115.35 1k36 s THR 4 Ca 0.14 -2.07 0.03 0.00 0.31 0.00 0.00 61.69 60.10 1k36 s THR 4 Cb -0.02 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 1k36 s THR 4 CO 0.03 -0.09 0.41 -0.75 -0.69 0.00 0.00 174.62 173.53 1k36 s LYS 5 N -3.71 3.46 0.00 4.92 2.36 -1.26 -1.33 119.74 124.18 1k36 s LYS 5 Ca 0.34 -0.62 0.00 0.00 -2.55 0.00 0.00 55.97 53.14 1k36 s LYS 5 Cb 0.07 -2.83 0.00 0.00 -1.05 0.00 0.00 37.83 34.02 1k36 s LYS 5 CO 0.17 0.35 0.00 0.00 1.55 0.00 0.00 175.35 177.42 1k36 n SER 7 N 0.00 1.34 -0.06 0.00 7.64 -1.26 -5.04 113.62 116.24 1k36 n SER 7 Ca 0.00 -1.32 -0.07 0.00 1.01 0.00 0.00 58.87 58.49 1k36 n SER 7 Cb 0.00 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1k36 n SER 7 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1k36 h SER 8 N 0.22 -0.01 0.17 6.43 0.87 -2.01 -3.26 113.55 115.96 1k36 h SER 8 Ca -0.05 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1k36 h SER 8 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1k36 h SER 8 CO 0.08 0.72 0.00 -0.90 -0.53 0.00 0.00 176.83 176.20 1k36 n ASP 9 N -4.71 0.16 -1.39 6.23 5.75 -1.26 -2.03 116.55 119.30 1k36 n ASP 9 Ca -0.05 0.56 -0.06 0.00 -0.01 0.00 0.00 54.79 55.23 1k36 n ASP 9 Cb 0.22 -0.59 0.10 0.00 -1.03 0.00 0.00 41.12 39.82 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 1k36 n MET 10 N -1.71 1.80 -3.39 0.11 1.56 -1.23 -4.48 117.12 109.77 1k36 n MET 10 Ca 0.01 -1.24 -0.27 0.00 -0.27 0.00 0.00 57.70 55.93 1k36 n MET 10 Cb 0.06 -1.57 -0.08 0.00 2.15 0.00 0.00 33.22 33.79 1k36 n MET 10 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 1k36 n ASN 11 N -0.06 3.45 -0.02 6.12 4.13 -0.86 -4.77 115.26 123.25 1k36 n ASN 11 Ca 0.21 -3.38 0.00 0.00 1.68 0.00 0.00 54.58 53.09 1k36 n ASN 11 Cb 0.89 -0.67 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k36 n GLY 12 N 0.88 0.01 0.52 7.41 0.00 -1.26 -4.76 105.19 107.98 1k36 n GLY 12 Ca 0.29 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.14 0.00 -3.70 1.61 9.36 -1.26 -4.95 117.16 118.08 1k36 n TYR 13 Ca 0.00 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 60.85 1k36 n TYR 13 Cb 0.09 -0.55 -0.12 0.00 -0.63 0.00 0.00 39.34 38.13 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 4.96 2.39 -4.12 0.00 4.77 -0.98 -4.66 117.00 119.35 1k36 n LEU 15 Ca -0.15 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.73 1k36 n LEU 15 Cb 0.52 -1.07 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1k36 n LEU 15 CO 0.32 0.67 0.19 -1.00 -1.33 0.00 0.00 177.39 176.23 1k36 s HIS 16 N -2.50 3.60 0.00 -1.77 3.76 -1.21 -4.95 115.29 112.23 1k36 s HIS 16 Ca -0.24 -2.75 0.00 0.00 -0.15 0.00 0.00 55.06 51.91 1k36 s HIS 16 Cb 0.06 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.48 1k36 s HIS 16 CO 0.71 -0.82 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 1k36 n GLY 17 N 3.13 -0.59 3.53 -2.22 0.00 -1.26 0.40 105.19 108.16 1k36 n GLY 17 Ca 0.13 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1k36 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k36 s GLN 18 N -0.10 1.03 0.12 1.61 -2.07 -0.67 -4.97 119.66 114.60 1k36 s GLN 18 Ca 0.00 0.28 -0.08 0.00 -1.82 0.00 0.00 55.36 53.74 1k36 s GLN 18 Cb 0.00 0.49 -0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1k36 s GLN 18 CO 0.00 -0.32 0.40 0.00 -1.32 0.00 0.00 175.29 174.05 1k36 s ILE 20 N -1.54 0.01 -0.19 0.00 -4.36 -0.13 -4.22 121.20 110.77 1k36 s ILE 20 Ca 0.37 -0.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.86 1k36 s ILE 20 Cb -0.13 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.77 1k36 s ILE 20 CO 0.21 -0.03 -0.18 -0.47 0.24 0.00 0.00 174.94 174.71 1k36 s TYR 21 N -3.91 2.79 0.09 1.37 6.14 -0.44 -1.05 117.35 122.34 1k36 s TYR 21 Ca 0.11 -1.69 -0.26 0.00 0.64 0.00 0.00 57.07 55.87 1k36 s TYR 21 Cb -0.03 -1.90 -0.06 0.00 0.42 0.00 0.00 41.96 40.39 1k36 s TYR 21 CO 0.03 -0.81 0.81 -0.51 0.64 0.00 0.00 175.55 175.72 1k36 s LEU 22 N 1.28 4.50 0.01 6.97 1.43 -1.07 -2.29 118.68 129.51 1k36 s LEU 22 Ca 0.03 1.58 0.13 0.00 -1.03 0.00 0.00 54.13 54.84 1k36 s LEU 22 Cb -0.14 -3.33 -0.20 0.00 0.03 0.00 0.00 46.19 42.55 1k36 s LEU 22 CO -0.12 0.04 0.81 1.62 0.23 0.00 0.00 176.35 178.94 1k36 h VAL 23 N 3.90 0.90 0.00 -1.59 3.04 -1.91 -2.44 116.25 118.16 1k36 h VAL 23 Ca -0.44 -2.65 -0.05 0.00 -1.01 0.00 0.00 66.70 62.54 1k36 h VAL 23 Cb 1.21 2.40 -0.01 0.00 -2.01 0.00 0.00 31.29 32.88 1k36 h VAL 23 CO 0.70 0.51 -0.26 -2.24 -1.01 0.00 0.00 177.57 175.28 1k36 h ASP 24 N 0.00 0.00 -2.08 3.17 3.04 -1.93 -3.32 116.42 115.30 1k36 h ASP 24 Ca -0.21 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.06 1k36 h ASP 24 Cb 1.87 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.76 1k36 h ASP 24 CO 0.08 0.26 -1.03 0.23 -2.04 0.00 0.00 179.24 176.74 1k36 n MET 25 N -3.20 1.58 -0.57 4.15 2.81 -1.25 -5.05 117.12 115.60 1k36 n MET 25 Ca 0.02 -3.79 -0.06 0.00 -1.81 0.00 0.00 57.70 52.06 1k36 n MET 25 Cb 0.60 -1.82 -0.06 0.00 -0.71 0.00 0.00 33.22 31.22 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 0.25 -0.73 -3.74 7.83 3.41 -0.92 -4.53 113.62 115.19 1k36 n SER 26 Ca 0.26 -0.38 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1k36 n SER 26 Cb 0.57 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 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 2.73 1.56 -0.98 4.33 -2.07 -1.23 -4.98 119.66 119.02 1k36 s GLN 27 Ca 0.36 -0.81 -0.22 0.00 -1.82 0.00 0.00 55.36 52.87 1k36 s GLN 27 Cb -0.23 0.57 0.07 0.00 -1.09 0.00 0.00 33.01 32.33 1k36 s GLN 27 CO 0.15 -0.71 1.35 0.54 -1.32 0.00 0.00 175.29 175.31 1k36 s ASN 28 N -2.87 6.51 0.05 12.60 2.20 -1.26 -2.60 114.94 129.57 1k36 s ASN 28 Ca 0.09 -1.55 -0.30 0.00 -0.94 0.00 0.00 52.86 50.16 1k36 s ASN 28 Cb -0.04 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.64 1k36 s ASN 28 CO 0.02 -1.41 0.98 -0.47 -2.94 0.00 0.00 177.10 173.28 1k36 s TYR 29 N 4.42 3.71 -0.23 1.54 6.14 -0.22 -4.88 117.35 127.84 1k36 s TYR 29 Ca 0.42 1.72 0.02 0.00 0.64 0.00 0.00 57.07 59.87 1k36 s TYR 29 Cb -0.02 -3.11 0.05 0.00 0.42 0.00 0.00 41.96 39.30 1k36 s TYR 29 CO -0.09 0.02 -0.13 0.00 0.64 0.00 0.00 175.55 175.99 1k36 s ARG 31 N 1.19 4.06 0.90 0.00 6.06 -0.81 -4.89 118.95 125.46 1k36 s ARG 31 Ca -0.04 0.97 -0.14 0.00 -2.50 0.00 0.00 55.73 54.02 1k36 s ARG 31 Cb -0.18 -3.73 0.14 0.00 0.06 0.00 0.00 34.95 31.25 1k36 s ARG 31 CO -0.08 -0.82 1.23 0.00 -2.50 0.00 0.00 175.30 173.14 1k36 s GLU 33 N -5.67 3.79 -0.61 0.00 2.12 0.16 -4.79 118.70 113.70 1k36 s GLU 33 Ca 0.67 0.73 -0.32 0.00 0.36 0.00 0.00 54.97 56.42 1k36 s GLU 33 Cb -0.08 -3.88 -0.14 0.00 0.26 0.00 0.00 34.13 30.29 1k36 s GLU 33 CO 0.51 -1.28 2.42 0.28 -0.54 0.00 0.00 175.26 176.65 1k36 n VAL 34 N 6.63 0.03 0.00 3.70 0.31 -1.26 -1.83 118.33 125.92 1k36 n VAL 34 Ca 0.12 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1k36 n VAL 34 Cb 0.48 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 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 6.44 0.08 3.91 2.92 0.00 -1.26 -5.15 105.19 112.15 1k36 n GLY 35 Ca 0.49 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.21 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 1.17 -0.19 1.61 1.51 -0.76 -4.64 117.35 116.05 1k36 s TYR 36 Ca 0.00 0.22 0.15 0.00 -1.01 0.00 0.00 57.07 56.43 1k36 s TYR 36 Cb 0.00 -4.22 0.42 0.00 -0.11 0.00 0.00 41.96 38.04 1k36 s TYR 36 CO 0.00 -2.96 1.29 -2.37 -1.11 0.00 0.00 175.55 170.40 1k36 n THR 37 N -3.95 2.18 -3.76 -0.71 5.66 -1.16 -4.82 114.28 107.70 1k36 n THR 37 Ca 0.17 -2.47 -0.10 0.00 -3.05 0.00 0.00 64.05 58.59 1k36 n THR 37 Cb 0.59 -0.26 -0.07 0.00 -1.55 0.00 0.00 70.33 69.04 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 -2.66 -0.08 -0.20 1.09 0.00 -1.26 -5.00 107.32 99.21 1k36 s GLY 38 Ca 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1k36 s GLY 38 CO 0.02 -0.44 2.09 1.55 0.00 0.00 0.00 173.10 176.31 1k36 n VAL 39 N 0.18 2.52 -2.00 1.40 3.14 -1.26 -3.51 118.33 118.81 1k36 n VAL 39 Ca -0.17 -1.27 -0.01 0.00 -2.96 0.00 0.00 64.34 59.93 1k36 n VAL 39 Cb 0.61 -1.43 -0.01 0.00 -1.06 0.00 0.00 33.84 31.96 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1k36 n ARG 40 N 0.85 0.00 -2.36 1.45 0.00 -1.26 -5.01 116.66 110.33 1k36 n ARG 40 Ca 0.20 -0.11 -0.13 0.00 -0.00 0.00 0.00 57.85 57.82 1k36 n ARG 40 Cb 0.56 0.05 0.01 0.00 0.00 0.00 0.00 32.46 33.08 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 0.42 0.00 -5.04 0.00 2.13 -1.26 -2.32 120.64 114.57 1k36 n GLU 42 Ca -0.03 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.47 1k36 n GLU 42 Cb 0.37 -0.30 -0.17 0.00 0.27 0.00 0.00 31.44 31.62 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 -1.15 2.61 -0.06 4.31 -3.43 -1.26 -5.03 115.29 111.27 1k36 s HIS 43 Ca 0.00 -1.09 -0.23 0.00 -0.80 0.00 0.00 55.06 52.94 1k36 s HIS 43 Cb 0.00 -1.75 -0.04 0.00 -1.43 0.00 0.00 32.58 29.36 1k36 s HIS 43 CO 0.00 -0.45 0.70 0.12 -2.00 0.00 0.00 174.74 173.10 1k36 s PHE 44 N 0.47 3.59 -0.12 0.38 5.36 -1.26 -3.01 117.98 123.38 1k36 s PHE 44 Ca -0.15 1.25 -0.00 0.00 -0.96 0.00 0.00 56.93 57.06 1k36 s PHE 44 Cb -0.17 -2.79 -0.25 0.00 -0.34 0.00 0.00 43.02 39.47 1k36 s PHE 44 CO 0.06 0.10 0.36 0.34 -1.46 0.00 0.00 175.22 174.63 1k36 n PHE 45 N 3.71 1.03 1.97 10.12 7.35 -1.26 -4.91 117.46 135.46 1k36 n PHE 45 Ca -0.02 0.25 0.16 0.00 -0.76 0.00 0.00 57.45 57.08 1k36 n PHE 45 Cb 0.51 -1.15 0.94 0.00 0.35 0.00 0.00 39.48 40.13 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28