#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 0.59 0.04 6.55 0.01 -1.26 -5.11 113.70 114.52 1k36 s SER 2 Ca 0.00 -0.09 -0.06 0.00 1.31 0.00 0.00 55.95 57.11 1k36 s SER 2 Cb 0.00 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1k36 s SER 2 CO 0.00 0.03 0.11 -0.51 0.41 0.00 0.00 173.24 173.28 1k36 s ILE 3 N 0.12 0.13 0.17 1.44 1.10 -1.26 -2.67 121.20 120.23 1k36 s ILE 3 Ca -0.01 -1.04 -0.01 0.00 -0.51 0.00 0.00 60.65 59.08 1k36 s ILE 3 Cb -0.05 -0.86 -0.04 0.00 0.15 0.00 0.00 42.46 41.67 1k36 s ILE 3 CO -0.00 -0.57 0.12 -0.89 -2.11 0.00 0.00 174.94 171.48 1k36 s THR 4 N -2.51 0.04 0.82 4.00 2.01 -0.81 -4.87 115.64 114.32 1k36 s THR 4 Ca -0.06 -1.94 -0.06 0.00 0.31 0.00 0.00 61.69 59.95 1k36 s THR 4 Cb -0.02 -2.31 0.17 0.00 0.01 0.00 0.00 72.50 70.35 1k36 s THR 4 CO -0.04 -0.18 1.13 -0.75 -0.69 0.00 0.00 174.62 174.09 1k36 s LYS 5 N -4.11 1.17 0.33 4.92 2.20 -1.26 0.24 119.74 123.23 1k36 s LYS 5 Ca 0.33 -1.01 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1k36 s LYS 5 Cb 0.07 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 34.20 1k36 s LYS 5 CO 0.08 -1.88 0.31 0.00 -0.36 0.00 0.00 175.35 173.50 1k36 n SER 7 N -1.40 0.06 -4.80 0.00 2.88 -1.26 -5.06 113.62 104.04 1k36 n SER 7 Ca -0.02 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 7 Cb 0.59 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.15 1k36 n SER 7 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1k36 s SER 8 N -0.77 4.48 -0.23 -3.46 0.01 -1.26 -3.87 113.70 108.61 1k36 s SER 8 Ca 0.00 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.72 1k36 s SER 8 Cb 0.00 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.26 1k36 s SER 8 CO 0.00 -1.84 0.00 -0.67 0.41 0.00 0.00 173.24 171.14 1k36 n ASP 9 N -3.12 -1.40 0.00 2.44 2.03 -1.26 -4.63 116.55 110.60 1k36 n ASP 9 Ca 0.09 0.36 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1k36 n ASP 9 Cb 0.60 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.62 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k36 n MET 10 N -2.27 0.41 -3.64 -0.67 1.56 -1.25 -4.91 117.12 106.34 1k36 n MET 10 Ca -0.03 -0.68 -0.38 0.00 -0.27 0.00 0.00 57.70 56.34 1k36 n MET 10 Cb 0.43 -0.84 -0.08 0.00 2.15 0.00 0.00 33.22 34.88 1k36 n MET 10 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1k36 s ASN 11 N -0.28 5.68 -0.43 6.12 2.47 -1.26 -4.88 114.94 122.36 1k36 s ASN 11 Ca 0.00 -3.16 0.08 0.00 0.42 0.00 0.00 52.86 50.20 1k36 s ASN 11 Cb 0.00 -1.91 0.29 0.00 -1.45 0.00 0.00 41.25 38.18 1k36 s ASN 11 CO 0.00 -0.32 0.82 0.61 -3.72 0.00 0.00 177.10 174.49 1k36 n GLY 12 N 3.11 1.79 2.17 1.21 0.00 -1.26 -4.97 105.19 107.24 1k36 n GLY 12 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.88 -4.08 -3.38 1.61 9.36 -1.26 -5.08 117.16 115.20 1k36 n TYR 13 Ca 0.15 1.27 -0.40 0.00 3.32 0.00 0.00 57.90 62.24 1k36 n TYR 13 Cb 0.63 3.02 -0.09 0.00 -0.63 0.00 0.00 39.34 42.28 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 h LEU 15 N 8.72 0.75 -7.16 0.00 3.38 -1.38 -3.36 115.31 116.26 1k36 h LEU 15 Ca -0.30 -0.45 -0.65 0.00 0.09 0.00 0.00 57.88 56.57 1k36 h LEU 15 Cb 1.15 -0.21 -0.40 0.00 0.09 0.00 0.00 40.66 41.29 1k36 h LEU 15 CO 0.68 1.04 -0.43 -1.00 0.09 0.00 0.00 178.44 178.81 1k36 s HIS 16 N -4.46 3.66 -0.26 1.13 3.76 -1.15 -5.03 115.29 112.94 1k36 s HIS 16 Ca -0.12 -3.25 -0.31 0.00 -0.15 0.00 0.00 55.06 51.23 1k36 s HIS 16 Cb 0.09 -2.87 0.17 0.00 1.11 0.00 0.00 32.58 31.08 1k36 s HIS 16 CO 0.83 -0.61 1.30 0.20 -0.85 0.00 0.00 174.74 175.61 1k36 s GLY 17 N -1.03 -0.04 0.79 -2.22 0.00 -1.26 -1.84 107.32 101.72 1k36 s GLY 17 Ca 0.25 2.45 -0.11 0.00 0.00 0.00 0.00 44.72 47.31 1k36 s GLY 17 CO -0.15 0.96 1.15 -0.86 0.00 0.00 0.00 173.10 174.20 1k36 s GLN 18 N -1.36 2.03 -0.16 2.90 1.03 -0.12 -4.79 119.66 119.19 1k36 s GLN 18 Ca 0.08 0.06 -0.05 0.00 0.04 0.00 0.00 55.36 55.50 1k36 s GLN 18 Cb -0.01 -1.99 -0.03 0.00 0.03 0.00 0.00 33.01 31.01 1k36 s GLN 18 CO -0.06 -1.52 -0.00 0.00 -2.54 0.00 0.00 175.29 171.17 1k36 n ILE 20 N 3.50 0.00 -3.73 0.00 -0.00 -0.77 -4.13 119.36 114.24 1k36 n ILE 20 Ca -0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.46 1k36 n ILE 20 Cb 0.52 0.00 -0.11 0.00 -0.00 0.00 0.00 39.64 40.05 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.55 176.08 1k36 s TYR 21 N -1.08 -0.44 -0.11 1.39 6.14 0.66 -1.89 117.35 122.02 1k36 s TYR 21 Ca 0.00 1.01 -0.13 0.00 0.64 0.00 0.00 57.07 58.58 1k36 s TYR 21 Cb 0.00 0.15 -0.05 0.00 0.42 0.00 0.00 41.96 42.49 1k36 s TYR 21 CO 0.00 -0.24 0.31 -0.51 0.64 0.00 0.00 175.55 175.75 1k36 s LEU 22 N 0.75 4.33 0.06 6.97 2.01 -1.08 -1.93 118.68 129.79 1k36 s LEU 22 Ca -0.05 0.63 0.18 0.00 0.01 0.00 0.00 54.13 54.90 1k36 s LEU 22 Cb -0.06 -2.40 -0.13 0.00 0.01 0.00 0.00 46.19 43.61 1k36 s LEU 22 CO -0.05 0.20 0.81 0.55 1.01 0.00 0.00 176.35 178.87 1k36 n VAL 23 N 2.90 1.11 0.62 -1.59 3.14 -1.09 -2.58 118.33 120.83 1k36 n VAL 23 Ca -0.13 -0.68 0.13 0.00 -2.96 0.00 0.00 64.34 60.70 1k36 n VAL 23 Cb 0.52 -0.67 0.42 0.00 -1.06 0.00 0.00 33.84 33.06 1k36 n VAL 23 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1k36 n ASP 24 N -2.84 0.76 -3.03 6.55 9.92 -1.26 -4.03 116.55 122.62 1k36 n ASP 24 Ca -0.09 0.58 -0.17 0.00 -0.53 0.00 0.00 54.79 54.58 1k36 n ASP 24 Cb 0.81 -0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 40.49 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1k36 n MET 25 N -2.22 0.80 -0.68 -1.24 1.56 -1.25 -5.06 117.12 109.03 1k36 n MET 25 Ca 0.05 -2.72 -0.08 0.00 -0.27 0.00 0.00 57.70 54.68 1k36 n MET 25 Cb 0.40 -1.35 -0.09 0.00 2.15 0.00 0.00 33.22 34.34 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1k36 n SER 26 N 1.19 -0.78 -3.83 6.12 3.41 -1.07 -4.59 113.62 114.07 1k36 n SER 26 Ca 0.17 -0.37 -0.08 0.00 -0.26 0.00 0.00 58.87 58.34 1k36 n SER 26 Cb 0.59 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 1k36 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1k36 s GLN 27 N 3.21 1.76 -0.10 4.33 0.74 -1.23 -5.00 119.66 123.36 1k36 s GLN 27 Ca 0.50 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.52 1k36 s GLN 27 Cb -0.32 0.57 -0.01 0.00 1.10 0.00 0.00 33.01 34.35 1k36 s GLN 27 CO 0.21 -0.79 1.03 1.21 -0.55 0.00 0.00 175.29 176.41 1k36 s ASN 28 N -2.96 7.21 0.38 6.67 2.47 -1.26 -2.62 114.94 124.84 1k36 s ASN 28 Ca 0.14 1.56 0.08 0.00 0.42 0.00 0.00 52.86 55.06 1k36 s ASN 28 Cb -0.05 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.18 1k36 s ASN 28 CO 0.08 -0.47 0.36 -0.47 -3.72 0.00 0.00 177.10 172.87 1k36 s TYR 29 N 2.09 2.83 -0.21 0.43 5.04 -0.79 -4.91 117.35 121.82 1k36 s TYR 29 Ca 0.49 -0.38 -0.06 0.00 -2.44 0.00 0.00 57.07 54.68 1k36 s TYR 29 Cb -0.19 -2.01 0.10 0.00 0.35 0.00 0.00 41.96 40.21 1k36 s TYR 29 CO 0.18 0.00 0.41 0.00 -1.34 0.00 0.00 175.55 174.80 1k36 s ARG 31 N 2.60 4.35 0.69 0.00 6.06 -0.79 -4.88 118.95 126.99 1k36 s ARG 31 Ca 0.02 0.99 -0.11 0.00 -2.50 0.00 0.00 55.73 54.13 1k36 s ARG 31 Cb -0.13 -3.53 0.01 0.00 0.06 0.00 0.00 34.95 31.36 1k36 s ARG 31 CO -0.14 -0.20 1.08 0.00 -2.50 0.00 0.00 175.30 173.55 1k36 s GLU 33 N -5.31 3.78 -0.97 0.00 2.12 -0.76 -4.84 118.70 112.72 1k36 s GLU 33 Ca 0.58 0.84 -0.21 0.00 0.36 0.00 0.00 54.97 56.54 1k36 s GLU 33 Cb -0.11 -3.90 -0.26 0.00 0.26 0.00 0.00 34.13 30.11 1k36 s GLU 33 CO 0.52 -1.30 2.42 0.28 -0.54 0.00 0.00 175.26 176.64 1k36 n VAL 34 N 6.64 -0.00 0.00 3.70 0.31 -1.26 -1.59 118.33 126.12 1k36 n VAL 34 Ca 0.13 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1k36 n VAL 34 Cb 0.48 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 6.04 0.27 3.88 2.92 0.00 -1.26 -5.15 105.19 111.89 1k36 n GLY 35 Ca 0.65 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 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 3.03 -0.37 1.61 1.51 -0.62 -4.25 117.35 118.26 1k36 s TYR 36 Ca 0.00 0.88 0.06 0.00 -1.01 0.00 0.00 57.07 56.99 1k36 s TYR 36 Cb 0.00 -3.33 0.47 0.00 -0.11 0.00 0.00 41.96 38.99 1k36 s TYR 36 CO 0.00 -1.63 1.45 -2.37 -1.11 0.00 0.00 175.55 171.89 1k36 n THR 37 N -3.26 2.77 -3.46 -0.71 5.66 -1.17 -4.81 114.28 109.31 1k36 n THR 37 Ca 0.07 -3.53 -0.13 0.00 -3.05 0.00 0.00 64.05 57.41 1k36 n THR 37 Cb 0.59 -0.90 -0.03 0.00 -1.55 0.00 0.00 70.33 68.45 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 -2.93 -0.59 -0.18 1.09 0.00 -1.26 -5.00 107.32 98.45 1k36 s GLY 38 Ca 0.52 0.78 0.03 0.00 0.00 0.00 0.00 44.72 46.04 1k36 s GLY 38 CO 0.01 0.39 1.33 1.55 0.00 0.00 0.00 173.10 176.38 1k36 n VAL 39 N -0.03 1.81 0.00 1.40 3.14 -1.26 -3.65 118.33 119.74 1k36 n VAL 39 Ca -0.17 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.41 1k36 n VAL 39 Cb 0.63 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.11 2.41 -2.29 1.45 0.63 -1.26 -4.97 116.66 112.51 1k36 n ARG 40 Ca 0.23 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 57.12 1k36 n ARG 40 Cb 0.95 -0.76 0.01 0.00 0.45 0.00 0.00 32.46 33.10 1k36 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k36 n GLU 42 N -0.51 0.00 -4.04 0.00 0.00 -1.26 -1.50 120.64 113.33 1k36 n GLU 42 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.91 1k36 n GLU 42 Cb 0.29 -0.20 -0.16 0.00 0.00 0.00 0.00 31.44 31.38 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 1k36 s HIS 43 N -1.00 2.39 -0.59 4.31 -3.43 -1.26 -5.03 115.29 110.68 1k36 s HIS 43 Ca 0.00 -1.42 -0.27 0.00 -0.80 0.00 0.00 55.06 52.57 1k36 s HIS 43 Cb 0.00 -1.70 0.03 0.00 -1.43 0.00 0.00 32.58 29.49 1k36 s HIS 43 CO 0.00 -0.72 1.14 0.12 -2.00 0.00 0.00 174.74 173.28 1k36 s PHE 44 N 1.41 2.61 0.42 0.38 5.36 -1.26 -3.02 117.98 123.88 1k36 s PHE 44 Ca 0.04 0.24 0.21 0.00 -0.96 0.00 0.00 56.93 56.45 1k36 s PHE 44 Cb -0.14 -4.43 1.19 0.00 -0.34 0.00 0.00 43.02 39.31 1k36 s PHE 44 CO -0.11 -1.59 2.01 0.35 -1.46 0.00 0.00 175.22 174.42 1k36 h PHE 45 N 9.55 0.00 -0.02 10.12 3.57 -1.88 -3.48 116.94 134.81 1k36 h PHE 45 Ca -0.26 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1k36 h PHE 45 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1k36 h PHE 45 CO 1.02 0.18 0.00 1.28 -2.23 0.00 0.00 178.31 178.55