#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 3.83 0.04 -1.34 0.01 -1.26 -5.10 113.70 109.87 1k36 s SER 2 Ca 0.00 -0.49 -0.06 0.00 1.31 0.00 0.00 55.95 56.71 1k36 s SER 2 Cb 0.00 -1.63 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 1k36 s SER 2 CO 0.00 -0.01 0.10 -0.51 0.41 0.00 0.00 173.24 173.23 1k36 s ILE 3 N 1.40 0.13 0.31 1.44 2.07 -1.26 -3.62 121.20 121.66 1k36 s ILE 3 Ca 0.05 -1.08 0.09 0.00 -1.41 0.00 0.00 60.65 58.31 1k36 s ILE 3 Cb -0.14 -0.89 -0.06 0.00 0.13 0.00 0.00 42.46 41.51 1k36 s ILE 3 CO -0.07 -0.59 -0.10 -0.89 -1.91 0.00 0.00 174.94 171.38 1k36 s THR 4 N -2.58 2.07 0.38 4.00 2.01 -1.01 -4.88 115.64 115.63 1k36 s THR 4 Ca -0.05 -2.21 0.07 0.00 0.31 0.00 0.00 61.69 59.82 1k36 s THR 4 Cb -0.01 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1k36 s THR 4 CO -0.04 -0.27 0.46 -0.54 -0.69 0.00 0.00 174.62 173.53 1k36 s LYS 5 N -3.63 2.82 0.05 4.92 -0.14 -1.26 -0.56 119.74 121.94 1k36 s LYS 5 Ca 0.31 -1.25 0.01 0.00 -1.36 0.00 0.00 55.97 53.67 1k36 s LYS 5 Cb 0.02 -2.65 0.01 0.00 -1.68 0.00 0.00 37.83 33.52 1k36 s LYS 5 CO 0.14 -0.12 0.05 0.00 -0.76 0.00 0.00 175.35 174.67 1k36 n SER 7 N -2.19 0.87 -4.87 0.00 2.88 -1.26 -5.09 113.62 103.97 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 7 Cb 0.06 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.61 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 0.69 4.42 -1.04 -3.46 0.01 -1.26 -3.68 113.70 109.37 1k36 s SER 8 Ca 0.00 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1k36 s SER 8 Cb 0.00 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1k36 s SER 8 CO 0.00 -1.96 0.00 -0.67 0.41 0.00 0.00 173.24 171.02 1k36 n ASP 9 N -3.35 -5.27 -0.07 2.44 2.03 -1.26 -4.74 116.55 106.34 1k36 n ASP 9 Ca 0.08 0.24 0.04 0.00 0.52 0.00 0.00 54.79 55.68 1k36 n ASP 9 Cb 0.61 -3.89 0.06 0.00 -0.72 0.00 0.00 41.12 37.18 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 -0.71 1.82 -3.89 -0.67 1.56 -1.24 -4.97 117.12 109.01 1k36 n MET 10 Ca -0.10 -1.86 -0.29 0.00 -0.27 0.00 0.00 57.70 55.19 1k36 n MET 10 Cb 0.55 -1.14 -0.16 0.00 2.15 0.00 0.00 33.22 34.61 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 -1.74 3.00 0.00 6.12 3.04 -1.26 -4.93 114.94 119.17 1k36 s ASN 11 Ca 0.14 -0.75 0.00 0.00 0.04 0.00 0.00 52.86 52.28 1k36 s ASN 11 Cb 0.12 -0.95 0.00 0.00 -1.54 0.00 0.00 41.25 38.89 1k36 s ASN 11 CO 0.01 -0.20 0.66 0.61 -3.04 0.00 0.00 177.10 175.14 1k36 n GLY 12 N 4.85 0.36 1.18 1.21 0.00 -1.26 -4.99 105.19 106.53 1k36 n GLY 12 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -3.76 1.61 9.36 -1.26 -5.04 117.16 118.07 1k36 n TYR 13 Ca -0.16 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.70 1k36 n TYR 13 Cb 0.54 0.21 -0.11 0.00 -0.63 0.00 0.00 39.34 39.35 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 4.50 1.85 -4.35 0.00 4.77 -1.13 -4.64 117.00 118.00 1k36 n LEU 15 Ca -0.15 0.47 -0.45 0.00 -0.03 0.00 0.00 56.01 55.84 1k36 n LEU 15 Cb 0.52 -0.94 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1k36 n LEU 15 CO 0.33 0.12 0.74 -1.00 -1.33 0.00 0.00 177.39 176.25 1k36 s HIS 16 N -2.35 4.08 0.00 -1.77 3.76 -1.24 -4.89 115.29 112.88 1k36 s HIS 16 Ca -0.26 -2.46 0.00 0.00 -0.15 0.00 0.00 55.06 52.19 1k36 s HIS 16 Cb 0.05 -3.88 0.00 0.00 1.11 0.00 0.00 32.58 29.87 1k36 s HIS 16 CO 0.50 -1.00 0.00 0.41 -0.85 0.00 0.00 174.74 173.80 1k36 n GLY 17 N 3.17 -0.82 3.57 -2.22 0.00 -1.26 0.13 105.19 107.75 1k36 n GLY 17 Ca 0.22 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.07 0.95 -0.08 1.61 -2.07 -0.73 -4.98 119.66 114.29 1k36 s GLN 18 Ca 0.00 0.56 -0.20 0.00 -1.82 0.00 0.00 55.36 53.90 1k36 s GLN 18 Cb 0.00 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1k36 s GLN 18 CO 0.00 -0.23 0.58 0.00 -1.32 0.00 0.00 175.29 174.32 1k36 n ILE 20 N 3.50 0.00 -3.77 0.00 -5.35 -0.44 -4.14 119.36 109.15 1k36 n ILE 20 Ca -0.05 -0.64 -0.14 0.00 -0.27 0.00 0.00 62.75 61.65 1k36 n ILE 20 Cb 0.51 0.35 -0.14 0.00 -1.74 0.00 0.00 39.64 38.62 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k36 s TYR 21 N -3.20 -0.11 -0.04 4.28 6.14 0.27 -2.24 117.35 122.45 1k36 s TYR 21 Ca 0.11 0.36 -0.23 0.00 0.64 0.00 0.00 57.07 57.94 1k36 s TYR 21 Cb 0.00 -0.08 -0.04 0.00 0.42 0.00 0.00 41.96 42.26 1k36 s TYR 21 CO 0.07 -0.12 0.70 -0.51 0.64 0.00 0.00 175.55 176.33 1k36 s LEU 22 N 0.88 4.36 0.08 6.97 2.01 -1.08 -2.41 118.68 129.47 1k36 s LEU 22 Ca -0.07 1.24 0.18 0.00 0.01 0.00 0.00 54.13 55.49 1k36 s LEU 22 Cb -0.09 -3.09 -0.12 0.00 0.01 0.00 0.00 46.19 42.89 1k36 s LEU 22 CO -0.04 -0.06 0.84 0.55 1.01 0.00 0.00 176.35 178.65 1k36 n VAL 23 N 3.44 1.11 1.40 -1.59 3.14 -1.24 -2.64 118.33 121.96 1k36 n VAL 23 Ca -0.02 -0.67 0.14 0.00 -2.96 0.00 0.00 64.34 60.82 1k36 n VAL 23 Cb 0.51 -0.68 0.73 0.00 -1.06 0.00 0.00 33.84 33.34 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 -2.85 0.00 -2.77 6.55 8.00 -1.26 -4.03 116.55 120.19 1k36 n ASP 24 Ca -0.09 -0.25 -0.09 0.00 0.71 0.00 0.00 54.79 55.08 1k36 n ASP 24 Cb 0.80 -0.24 0.05 0.00 -0.02 0.00 0.00 41.12 41.72 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 25 N -1.24 0.81 -0.68 -1.24 1.56 -1.24 -5.07 117.12 110.02 1k36 n MET 25 Ca 0.15 -1.82 -0.09 0.00 -0.27 0.00 0.00 57.70 55.66 1k36 n MET 25 Cb 0.20 -1.40 -0.10 0.00 2.15 0.00 0.00 33.22 34.08 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 1.45 -0.73 -3.54 6.12 3.41 -1.08 -4.61 113.62 114.63 1k36 n SER 26 Ca 0.09 -0.31 -0.17 0.00 -0.26 0.00 0.00 58.87 58.22 1k36 n SER 26 Cb 0.64 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 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 1.00 0.61 4.33 0.74 -1.23 -5.01 119.66 123.32 1k36 s GLN 27 Ca 0.55 0.37 -0.19 0.00 0.05 0.00 0.00 55.36 56.14 1k36 s GLN 27 Cb -0.36 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.20 1k36 s GLN 27 CO 0.24 -0.29 1.26 -1.71 -0.55 0.00 0.00 175.29 174.24 1k36 n ASN 28 N 1.18 2.03 -3.56 6.67 4.05 -1.26 -2.65 115.26 121.71 1k36 n ASN 28 Ca -0.18 0.87 -0.16 0.00 0.45 0.00 0.00 54.58 55.56 1k36 n ASN 28 Cb 0.57 -1.53 -0.13 0.00 1.23 0.00 0.00 39.78 39.91 1k36 n ASN 28 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1k36 s TYR 29 N -1.38 -0.34 -0.33 1.20 6.14 -0.95 -4.81 117.35 116.88 1k36 s TYR 29 Ca 0.79 0.54 -0.07 0.00 0.64 0.00 0.00 57.07 58.96 1k36 s TYR 29 Cb -0.40 -0.23 0.03 0.00 0.42 0.00 0.00 41.96 41.78 1k36 s TYR 29 CO 0.44 -0.49 0.12 0.00 0.64 0.00 0.00 175.55 176.25 1k36 s ARG 31 N 1.46 3.81 0.93 0.00 6.06 -0.96 -4.92 118.95 125.32 1k36 s ARG 31 Ca 0.00 0.46 -0.15 0.00 -2.50 0.00 0.00 55.73 53.54 1k36 s ARG 31 Cb -0.19 -3.80 0.17 0.00 0.06 0.00 0.00 34.95 31.19 1k36 s ARG 31 CO 0.03 -0.89 1.28 0.00 -2.50 0.00 0.00 175.30 173.22 1k36 s GLU 33 N -5.80 4.01 -0.48 0.00 2.12 0.34 -4.78 118.70 114.10 1k36 s GLU 33 Ca 0.71 0.93 -0.32 0.00 0.36 0.00 0.00 54.97 56.65 1k36 s GLU 33 Cb -0.06 -3.76 -0.11 0.00 0.26 0.00 0.00 34.13 30.46 1k36 s GLU 33 CO 0.52 -0.92 2.33 0.28 -0.54 0.00 0.00 175.26 176.94 1k36 n VAL 34 N 5.91 0.10 0.00 3.70 0.31 -1.26 -2.28 118.33 124.81 1k36 n VAL 34 Ca 0.11 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1k36 n VAL 34 Cb 0.47 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 6.35 0.45 3.90 2.92 0.00 -1.26 -5.15 105.19 112.41 1k36 n GLY 35 Ca 0.43 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.16 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 2.17 -0.15 1.61 2.02 -0.97 -4.74 117.35 117.29 1k36 s TYR 36 Ca 0.00 0.52 0.10 0.00 -0.37 0.00 0.00 57.07 57.32 1k36 s TYR 36 Cb 0.00 -3.82 -0.16 0.00 -0.40 0.00 0.00 41.96 37.58 1k36 s TYR 36 CO 0.00 -2.31 -0.00 -2.37 -1.57 0.00 0.00 175.55 169.30 1k36 n THR 37 N -3.61 0.99 -3.16 -0.71 5.66 -1.18 -4.91 114.28 107.36 1k36 n THR 37 Ca 0.12 -0.55 -0.25 0.00 -3.05 0.00 0.00 64.05 60.31 1k36 n THR 37 Cb 0.60 -0.75 -0.01 0.00 -1.55 0.00 0.00 70.33 68.62 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 -4.99 1.43 -0.18 1.09 0.00 -1.26 -4.96 107.32 98.45 1k36 s GLY 38 Ca -0.11 -0.76 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1k36 s GLY 38 CO 0.54 -0.67 2.55 1.55 0.00 0.00 0.00 173.10 177.08 1k36 n VAL 39 N -1.85 2.73 -2.01 1.40 3.14 -1.26 -3.56 118.33 116.93 1k36 n VAL 39 Ca -0.03 -1.57 -0.05 0.00 -2.96 0.00 0.00 64.34 59.73 1k36 n VAL 39 Cb 0.56 -1.59 -0.05 0.00 -1.06 0.00 0.00 33.84 31.69 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 1.29 0.00 -1.58 1.45 0.00 -1.26 -5.02 116.66 111.54 1k36 n ARG 40 Ca 0.29 -0.73 0.00 0.00 -0.00 0.00 0.00 57.85 57.41 1k36 n ARG 40 Cb 0.63 0.35 0.00 0.00 0.00 0.00 0.00 32.46 33.44 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 0.99 0.00 -4.71 0.00 0.00 -1.26 -2.86 120.64 112.81 1k36 n GLU 42 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.88 1k36 n GLU 42 Cb 0.17 -0.06 -0.17 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 1.92 -0.38 4.31 -3.43 -1.26 -5.09 115.29 110.35 1k36 s HIS 43 Ca 0.00 -0.80 -0.18 0.00 -0.80 0.00 0.00 55.06 53.28 1k36 s HIS 43 Cb 0.00 -1.35 0.01 0.00 -1.43 0.00 0.00 32.58 29.80 1k36 s HIS 43 CO 0.00 -0.38 0.52 0.12 -2.00 0.00 0.00 174.74 173.00 1k36 s PHE 44 N 0.69 3.15 -0.95 0.38 5.36 -1.26 -3.10 117.98 122.25 1k36 s PHE 44 Ca -0.13 0.01 0.23 0.00 -0.96 0.00 0.00 56.93 56.08 1k36 s PHE 44 Cb -0.16 -3.01 0.13 0.00 -0.34 0.00 0.00 43.02 39.63 1k36 s PHE 44 CO 0.03 -0.65 1.14 0.34 -1.46 0.00 0.00 175.22 174.63 1k36 n PHE 45 N 5.83 0.03 1.72 10.12 -0.00 -1.26 -4.98 117.46 128.91 1k36 n PHE 45 Ca -0.05 0.01 0.15 0.00 -0.00 0.00 0.00 57.45 57.56 1k36 n PHE 45 Cb 0.48 -0.16 0.71 0.00 -0.00 0.00 0.00 39.48 40.52 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04