#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k36 n SER 2 N 0.00 5.42 -4.83 6.55 2.88 -1.26 -5.05 113.62 117.33 1k36 n SER 2 Ca 0.00 -3.71 -0.33 0.00 -1.33 0.00 0.00 58.87 53.50 1k36 n SER 2 Cb 0.00 -0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k36 s ILE 3 N -4.78 4.44 0.00 2.46 1.10 -1.26 -4.02 121.20 119.13 1k36 s ILE 3 Ca 0.47 1.34 0.00 0.00 -0.51 0.00 0.00 60.65 61.95 1k36 s ILE 3 Cb 0.31 -3.65 0.00 0.00 0.15 0.00 0.00 42.46 39.27 1k36 s ILE 3 CO -0.18 -0.50 0.00 0.41 -2.11 0.00 0.00 174.94 172.56 1k36 n THR 4 N -1.12 0.00 -3.48 4.00 -1.04 -0.64 -4.83 114.28 107.17 1k36 n THR 4 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.95 1k36 n THR 4 Cb 0.54 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.06 1k36 n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1k36 n LYS 5 N 0.00 0.96 0.00 -2.82 4.76 -1.26 -0.59 118.16 119.21 1k36 n LYS 5 Ca 0.00 -1.83 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 1k36 n LYS 5 Cb 0.00 0.09 0.00 0.00 -1.84 0.00 0.00 35.03 33.28 1k36 n LYS 5 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k36 n SER 7 N 0.00 1.54 0.00 0.00 2.88 -1.26 -4.98 113.62 111.80 1k36 n SER 7 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1k36 n SER 7 Cb 0.00 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 63.93 1k36 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k36 n SER 8 N 0.00 0.00 -1.16 -3.46 2.88 -1.26 -2.99 113.62 107.63 1k36 n SER 8 Ca 0.00 -1.43 0.08 0.00 -1.33 0.00 0.00 58.87 56.19 1k36 n SER 8 Cb 0.00 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.75 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k36 n ASP 9 N -0.76 4.24 0.12 -3.46 9.92 -1.26 -4.46 116.55 120.89 1k36 n ASP 9 Ca 0.12 -2.75 -0.00 0.00 -0.53 0.00 0.00 54.79 51.63 1k36 n ASP 9 Cb 0.05 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1k36 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k36 h MET 10 N 2.64 0.00 -2.32 -1.24 -0.00 -1.93 -3.34 114.93 108.73 1k36 h MET 10 Ca 0.00 0.00 -0.76 0.00 -0.00 0.00 0.00 59.70 58.94 1k36 h MET 10 Cb 1.44 0.00 -0.22 0.00 -0.00 0.00 0.00 31.60 32.82 1k36 h MET 10 CO 0.24 0.64 1.44 -1.71 -0.00 0.00 0.00 176.91 177.53 1k36 n ASN 11 N -3.29 7.54 -0.16 -0.10 4.05 -1.26 -4.22 115.26 117.83 1k36 n ASN 11 Ca 0.01 -3.49 0.00 0.00 0.45 0.00 0.00 54.58 51.55 1k36 n ASN 11 Cb 0.78 -1.23 0.00 0.00 1.23 0.00 0.00 39.78 40.57 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k36 n GLY 12 N 0.53 -0.89 2.17 8.20 0.00 -1.25 -4.98 105.19 108.96 1k36 n GLY 12 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.05 -3.75 1.61 9.36 -1.26 -5.09 117.16 113.99 1k36 n TYR 13 Ca 0.00 1.21 -0.37 0.00 3.32 0.00 0.00 57.90 62.06 1k36 n TYR 13 Cb 0.54 3.04 -0.12 0.00 -0.63 0.00 0.00 39.34 42.17 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 4.88 2.45 -3.96 0.00 4.77 -0.62 -4.58 117.00 119.93 1k36 n LEU 15 Ca -0.14 0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.75 1k36 n LEU 15 Cb 0.48 -1.09 -0.06 0.00 -2.33 0.00 0.00 43.42 40.42 1k36 n LEU 15 CO 0.32 0.71 0.39 1.41 -1.33 0.00 0.00 177.39 178.90 1k36 n HIS 16 N -3.72 3.81 -3.94 -1.77 8.25 -1.16 -5.01 115.22 111.68 1k36 n HIS 16 Ca -0.32 -3.93 -0.00 0.00 -0.26 0.00 0.00 57.72 53.20 1k36 n HIS 16 Cb 0.96 -1.03 0.02 0.00 1.12 0.00 0.00 29.99 31.06 1k36 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k36 s GLY 17 N -0.87 0.01 0.15 -1.41 0.00 -1.26 -1.37 107.32 102.57 1k36 s GLY 17 Ca 0.30 -0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.77 1k36 s GLY 17 CO -0.08 4.12 0.44 1.20 0.00 0.00 0.00 173.10 178.78 1k36 s GLN 18 N -2.07 3.74 -0.23 2.90 -0.21 -0.13 -4.89 119.66 118.78 1k36 s GLN 18 Ca 0.26 0.14 -0.05 0.00 0.02 0.00 0.00 55.36 55.72 1k36 s GLN 18 Cb -0.02 -2.85 -0.02 0.00 1.00 0.00 0.00 33.01 31.13 1k36 s GLN 18 CO 0.02 0.46 0.01 0.00 -2.12 0.00 0.00 175.29 173.66 1k36 s ILE 20 N 1.42 0.00 -0.05 0.00 -0.00 -0.49 -4.25 121.20 117.84 1k36 s ILE 20 Ca 0.05 -1.78 0.03 0.00 -0.00 0.00 0.00 60.65 58.95 1k36 s ILE 20 Cb -0.15 -2.60 0.00 0.00 -0.00 0.00 0.00 42.46 39.72 1k36 s ILE 20 CO 0.00 0.00 -0.15 -0.47 -0.00 0.00 0.00 174.94 174.33 1k36 s TYR 21 N -3.16 1.56 -0.03 1.37 6.14 0.25 -1.61 117.35 121.86 1k36 s TYR 21 Ca 0.35 -0.49 -0.20 0.00 0.64 0.00 0.00 57.07 57.38 1k36 s TYR 21 Cb 0.01 -1.08 -0.05 0.00 0.42 0.00 0.00 41.96 41.26 1k36 s TYR 21 CO 0.25 -0.20 0.58 -0.51 0.64 0.00 0.00 175.55 176.31 1k36 s LEU 22 N 0.25 4.38 0.05 6.97 2.01 -1.08 -1.62 118.68 129.64 1k36 s LEU 22 Ca -0.07 1.10 0.16 0.00 0.01 0.00 0.00 54.13 55.33 1k36 s LEU 22 Cb -0.13 -2.90 -0.15 0.00 0.01 0.00 0.00 46.19 43.03 1k36 s LEU 22 CO 0.03 0.06 0.80 0.55 1.01 0.00 0.00 176.35 178.79 1k36 n VAL 23 N 3.01 1.24 0.53 -1.59 3.14 -1.26 -2.47 118.33 120.93 1k36 n VAL 23 Ca -0.06 -0.71 0.13 0.00 -2.96 0.00 0.00 64.34 60.74 1k36 n VAL 23 Cb 0.51 -0.78 0.39 0.00 -1.06 0.00 0.00 33.84 32.90 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 0.00 0.00 -1.45 6.55 1.82 -1.93 -3.34 116.42 118.07 1k36 h ASP 24 Ca -0.18 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.01 1k36 h ASP 24 Cb 1.64 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 41.33 1k36 h ASP 24 CO 0.05 0.00 -0.96 0.23 -1.61 0.00 0.00 179.24 176.95 1k36 n MET 25 N -2.41 0.83 -0.66 0.28 2.81 -1.25 -5.06 117.12 111.66 1k36 n MET 25 Ca 0.05 -2.88 -0.09 0.00 -1.81 0.00 0.00 57.70 52.96 1k36 n MET 25 Cb 0.42 -1.38 -0.10 0.00 -0.71 0.00 0.00 33.22 31.45 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 1.00 -0.69 -3.85 7.83 3.41 -1.03 -4.58 113.62 115.71 1k36 n SER 26 Ca 0.19 -0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.45 1k36 n SER 26 Cb 0.60 -0.24 -0.02 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 3.09 1.79 -0.71 4.33 -2.07 -1.23 -4.99 119.66 119.86 1k36 s GLN 27 Ca 0.55 -1.00 -0.27 0.00 -1.82 0.00 0.00 55.36 52.82 1k36 s GLN 27 Cb -0.35 0.61 0.03 0.00 -1.09 0.00 0.00 33.01 32.21 1k36 s GLN 27 CO 0.24 -0.82 1.25 -0.80 -1.32 0.00 0.00 175.29 173.84 1k36 s ASN 28 N -2.92 6.20 -0.07 12.60 -0.87 -1.26 -2.62 114.94 125.99 1k36 s ASN 28 Ca 0.11 -0.41 -0.23 0.00 -1.57 0.00 0.00 52.86 50.77 1k36 s ASN 28 Cb -0.06 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1k36 s ASN 28 CO 0.07 -1.77 0.68 -0.47 -2.57 0.00 0.00 177.10 173.05 1k36 s TYR 29 N 5.53 3.58 -0.14 2.20 6.14 -0.63 -4.96 117.35 129.05 1k36 s TYR 29 Ca 0.35 1.22 -0.01 0.00 0.64 0.00 0.00 57.07 59.28 1k36 s TYR 29 Cb -0.08 -2.78 0.04 0.00 0.42 0.00 0.00 41.96 39.55 1k36 s TYR 29 CO 0.16 0.10 -0.04 0.00 0.64 0.00 0.00 175.55 176.41 1k36 s ARG 31 N 1.72 4.51 0.61 0.00 6.06 -0.76 -4.87 118.95 126.22 1k36 s ARG 31 Ca 0.02 1.46 -0.12 0.00 -2.50 0.00 0.00 55.73 54.59 1k36 s ARG 31 Cb -0.14 -3.47 -0.04 0.00 0.06 0.00 0.00 34.95 31.35 1k36 s ARG 31 CO -0.08 -0.15 1.02 0.00 -2.50 0.00 0.00 175.30 173.60 1k36 s GLU 33 N -4.97 3.55 -0.89 0.00 2.12 -0.47 -4.82 118.70 113.22 1k36 s GLU 33 Ca 0.56 0.51 -0.33 0.00 0.36 0.00 0.00 54.97 56.07 1k36 s GLU 33 Cb -0.11 -4.01 -0.21 0.00 0.26 0.00 0.00 34.13 30.07 1k36 s GLU 33 CO 0.50 -1.62 2.59 0.28 -0.54 0.00 0.00 175.26 176.47 1k36 n VAL 34 N 6.84 -0.00 0.00 3.70 0.31 -1.26 -1.56 118.33 126.36 1k36 n VAL 34 Ca 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1k36 n VAL 34 Cb 0.49 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 6.64 0.25 3.94 2.92 0.00 -1.26 -5.14 105.19 112.54 1k36 n GLY 35 Ca 0.63 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.38 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 2.41 -0.25 1.61 1.51 -0.60 -4.48 117.35 117.54 1k36 s TYR 36 Ca 0.00 0.32 0.14 0.00 -1.01 0.00 0.00 57.07 56.52 1k36 s TYR 36 Cb 0.00 -3.40 0.47 0.00 -0.11 0.00 0.00 41.96 38.92 1k36 s TYR 36 CO 0.00 -1.77 1.17 -2.37 -1.11 0.00 0.00 175.55 171.47 1k36 n THR 37 N -3.13 1.94 -3.71 -0.71 5.66 -1.18 -4.85 114.28 108.30 1k36 n THR 37 Ca 0.11 -3.51 -0.12 0.00 -3.05 0.00 0.00 64.05 57.48 1k36 n THR 37 Cb 0.60 -0.14 -0.07 0.00 -1.55 0.00 0.00 70.33 69.17 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 -3.53 -0.19 -0.01 1.09 0.00 -1.26 -4.97 107.32 98.45 1k36 s GLY 38 Ca 0.41 0.11 0.04 0.00 0.00 0.00 0.00 44.72 45.28 1k36 s GLY 38 CO -0.01 -0.12 1.00 -0.62 0.00 0.00 0.00 173.10 173.35 1k36 n VAL 39 N 0.50 0.26 -0.04 1.40 0.31 -1.26 -3.14 118.33 116.36 1k36 n VAL 39 Ca -0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1k36 n VAL 39 Cb 0.60 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1k36 n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1k36 n ARG 40 N -0.05 4.35 -3.19 5.55 3.00 -1.26 -5.02 116.66 120.03 1k36 n ARG 40 Ca 0.05 -0.09 -0.08 0.00 -0.01 0.00 0.00 57.85 57.71 1k36 n ARG 40 Cb 0.19 -0.53 0.03 0.00 0.00 0.00 0.00 32.46 32.15 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 -2.47 0.86 -4.52 0.00 2.13 -1.26 -1.59 120.64 113.78 1k36 n GLU 42 Ca -0.04 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.45 1k36 n GLU 42 Cb 0.56 -0.62 -0.16 0.00 0.27 0.00 0.00 31.44 31.49 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 -1.23 2.67 -0.58 4.31 -3.43 -1.26 -5.01 115.29 110.76 1k36 s HIS 43 Ca 0.00 -1.41 -0.24 0.00 -0.80 0.00 0.00 55.06 52.61 1k36 s HIS 43 Cb 0.00 -1.83 0.05 0.00 -1.43 0.00 0.00 32.58 29.37 1k36 s HIS 43 CO 0.00 -0.66 0.95 0.12 -2.00 0.00 0.00 174.74 173.15 1k36 s PHE 44 N 0.94 2.75 -1.68 0.38 5.36 -1.26 -3.11 117.98 121.37 1k36 s PHE 44 Ca -0.04 -0.15 0.18 0.00 -0.96 0.00 0.00 56.93 55.96 1k36 s PHE 44 Cb -0.15 -4.13 1.00 0.00 -0.34 0.00 0.00 43.02 39.41 1k36 s PHE 44 CO -0.05 -1.44 1.53 0.34 -1.46 0.00 0.00 175.22 174.15 1k36 n PHE 45 N 7.55 0.00 0.31 10.12 7.35 -1.26 -4.97 117.46 136.56 1k36 n PHE 45 Ca 0.00 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.73 1k36 n PHE 45 Cb 0.47 -0.16 0.03 0.00 0.35 0.00 0.00 39.48 40.17 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28