#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 -1.79 -4.85 6.55 2.88 -1.26 -5.12 113.62 110.03 1k36 n SER 2 Ca 0.00 -3.57 -0.32 0.00 -1.33 0.00 0.00 58.87 53.66 1k36 n SER 2 Cb 0.00 1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 64.91 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 -0.20 4.53 0.07 2.46 2.07 -1.26 -4.06 121.20 124.80 1k36 s ILE 3 Ca 0.26 1.10 0.00 0.00 -1.41 0.00 0.00 60.65 60.60 1k36 s ILE 3 Cb 0.30 -3.73 -0.00 0.00 0.13 0.00 0.00 42.46 39.15 1k36 s ILE 3 CO -0.06 -0.80 0.01 0.41 -1.91 0.00 0.00 174.94 172.58 1k36 n THR 4 N -1.95 0.00 -4.34 4.00 -1.04 -0.72 -4.85 114.28 105.38 1k36 n THR 4 Ca 0.07 -0.36 -0.20 0.00 -2.04 0.00 0.00 64.05 61.52 1k36 n THR 4 Cb 0.54 0.10 -0.10 0.00 -1.82 0.00 0.00 70.33 69.04 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 -2.26 1.32 0.00 -2.82 1.02 -1.26 -0.88 119.74 114.85 1k36 s LYS 5 Ca 0.01 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.47 1k36 s LYS 5 Cb 0.00 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.11 1k36 s LYS 5 CO 0.01 0.22 0.00 0.00 -0.92 0.00 0.00 175.35 174.65 1k36 n SER 7 N 0.00 0.00 -1.55 0.00 2.88 -1.26 -5.01 113.62 108.68 1k36 n SER 7 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1k36 n SER 7 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1k36 n SER 8 N 0.00 3.40 -1.58 -3.46 7.64 -1.26 -3.91 113.62 114.45 1k36 n SER 8 Ca 0.00 -2.76 0.01 0.00 1.01 0.00 0.00 58.87 57.13 1k36 n SER 8 Cb 0.00 -0.66 0.01 0.00 -1.01 0.00 0.00 64.21 62.55 1k36 n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k36 n ASP 9 N -0.21 0.56 -0.38 6.43 -0.08 -1.26 -4.86 116.55 116.76 1k36 n ASP 9 Ca 0.28 -2.01 0.00 0.00 -1.51 0.00 0.00 54.79 51.55 1k36 n ASP 9 Cb 1.03 -0.16 0.00 0.00 2.34 0.00 0.00 41.12 44.33 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1k36 n MET 10 N 0.21 0.00 -3.52 -0.67 1.56 -1.25 -5.01 117.12 108.42 1k36 n MET 10 Ca -0.02 -0.33 -0.40 0.00 -0.27 0.00 0.00 57.70 56.68 1k36 n MET 10 Cb 1.01 -0.19 -0.04 0.00 2.15 0.00 0.00 33.22 36.15 1k36 n MET 10 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1k36 s ASN 11 N -0.29 6.42 0.00 6.12 -0.87 -1.26 -4.68 114.94 120.38 1k36 s ASN 11 Ca 0.00 -3.53 0.00 0.00 -1.57 0.00 0.00 52.86 47.76 1k36 s ASN 11 Cb 0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 41.25 39.21 1k36 s ASN 11 CO 0.00 -0.26 0.38 0.61 -2.57 0.00 0.00 177.10 175.26 1k36 n GLY 12 N 2.67 -0.37 0.81 0.66 0.00 -1.26 -4.89 105.19 102.81 1k36 n GLY 12 Ca 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.07 0.00 -3.39 1.61 9.36 -1.26 -4.97 117.16 118.44 1k36 n TYR 13 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 1k36 n TYR 13 Cb 0.28 -0.16 -0.09 0.00 -0.63 0.00 0.00 39.34 38.74 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 8.74 0.52 -7.34 0.00 3.38 -1.51 -3.42 115.31 115.68 1k36 h LEU 15 Ca -0.30 -0.94 -0.65 0.00 0.09 0.00 0.00 57.88 56.08 1k36 h LEU 15 Cb 1.15 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 41.33 1k36 h LEU 15 CO 0.69 1.81 -0.53 -1.00 0.09 0.00 0.00 178.44 179.49 1k36 s HIS 16 N -2.56 3.36 0.00 1.13 3.76 -1.23 -5.03 115.29 114.71 1k36 s HIS 16 Ca -0.19 -3.12 0.00 0.00 -0.15 0.00 0.00 55.06 51.60 1k36 s HIS 16 Cb 0.06 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.85 1k36 s HIS 16 CO 0.81 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 1k36 n GLY 17 N 2.86 0.55 3.62 -2.22 0.00 -1.26 -1.10 105.19 107.64 1k36 n GLY 17 Ca 0.10 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.79 3.41 -0.17 1.61 -1.52 -0.40 -4.93 119.66 115.87 1k36 s GLN 18 Ca 0.00 -0.43 -0.18 0.00 -1.95 0.00 0.00 55.36 52.80 1k36 s GLN 18 Cb 0.00 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 1k36 s GLN 18 CO 0.00 0.47 0.48 0.00 -0.25 0.00 0.00 175.29 176.00 1k36 n ILE 20 N 4.14 0.00 -3.75 0.00 -0.00 -0.59 -3.75 119.36 115.41 1k36 n ILE 20 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.56 1k36 n ILE 20 Cb 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 40.02 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 -4.58 -0.26 -0.03 4.28 6.14 -0.06 -2.35 117.35 120.48 1k36 s TYR 21 Ca 0.00 0.65 -0.23 0.00 0.64 0.00 0.00 57.07 58.13 1k36 s TYR 21 Cb 0.00 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.37 1k36 s TYR 21 CO 0.00 -0.18 0.69 -0.51 0.64 0.00 0.00 175.55 176.19 1k36 s LEU 22 N 0.89 4.36 0.12 6.97 2.01 -1.08 -1.76 118.68 130.19 1k36 s LEU 22 Ca -0.06 1.23 0.20 0.00 0.01 0.00 0.00 54.13 55.50 1k36 s LEU 22 Cb -0.08 -3.07 -0.08 0.00 0.01 0.00 0.00 46.19 42.97 1k36 s LEU 22 CO -0.05 -0.05 0.90 0.55 1.01 0.00 0.00 176.35 178.71 1k36 n VAL 23 N 3.38 0.86 0.95 -1.59 3.14 -1.26 -2.71 118.33 121.11 1k36 n VAL 23 Ca -0.03 -0.62 0.13 0.00 -2.96 0.00 0.00 64.34 60.86 1k36 n VAL 23 Cb 0.51 -0.51 0.58 0.00 -1.06 0.00 0.00 33.84 33.36 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 -2.76 0.00 -2.82 6.55 8.00 -1.26 -4.11 116.55 120.16 1k36 n ASP 24 Ca -0.05 0.43 -0.10 0.00 0.71 0.00 0.00 54.79 55.78 1k36 n ASP 24 Cb 0.69 -0.48 0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.48 0.74 -0.69 -1.24 1.56 -1.24 -5.07 117.12 109.70 1k36 n MET 25 Ca 0.07 -1.97 -0.10 0.00 -0.27 0.00 0.00 57.70 55.43 1k36 n MET 25 Cb 0.30 -1.44 -0.11 0.00 2.15 0.00 0.00 33.22 34.12 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 1.75 -0.69 -3.60 6.12 3.41 -1.10 -4.64 113.62 114.88 1k36 n SER 26 Ca 0.12 -0.26 -0.16 0.00 -0.26 0.00 0.00 58.87 58.31 1k36 n SER 26 Cb 0.61 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.24 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 3.23 0.91 0.04 4.33 0.74 -1.23 -5.00 119.66 122.67 1k36 s GLN 27 Ca 0.60 0.31 -0.30 0.00 0.05 0.00 0.00 55.36 56.02 1k36 s GLN 27 Cb -0.39 0.43 -0.08 0.00 1.10 0.00 0.00 33.01 34.07 1k36 s GLN 27 CO 0.26 -0.25 1.73 -0.80 -0.55 0.00 0.00 175.29 175.68 1k36 s ASN 28 N -0.88 6.57 -0.13 6.67 -0.87 -1.26 -2.63 114.94 122.42 1k36 s ASN 28 Ca -0.09 2.49 -0.01 0.00 -1.57 0.00 0.00 52.86 53.68 1k36 s ASN 28 Cb -0.02 -2.55 -0.02 0.00 -0.02 0.00 0.00 41.25 38.64 1k36 s ASN 28 CO 0.07 -0.94 -0.10 -0.47 -2.57 0.00 0.00 177.10 173.09 1k36 s TYR 29 N 3.31 2.87 -0.18 2.20 6.14 -0.99 -4.92 117.35 125.77 1k36 s TYR 29 Ca 0.77 -0.48 -0.01 0.00 0.64 0.00 0.00 57.07 57.99 1k36 s TYR 29 Cb -0.39 -1.85 0.05 0.00 0.42 0.00 0.00 41.96 40.19 1k36 s TYR 29 CO 0.34 -0.10 -0.01 0.00 0.64 0.00 0.00 175.55 176.42 1k36 s ARG 31 N 1.73 4.49 0.70 0.00 6.06 -0.94 -4.90 118.95 126.08 1k36 s ARG 31 Ca -0.01 1.06 -0.11 0.00 -2.50 0.00 0.00 55.73 54.16 1k36 s ARG 31 Cb -0.17 -3.36 0.01 0.00 0.06 0.00 0.00 34.95 31.49 1k36 s ARG 31 CO -0.07 0.29 1.09 0.00 -2.50 0.00 0.00 175.30 174.10 1k36 s GLU 33 N -5.33 3.75 -0.93 0.00 2.12 -0.26 -4.77 118.70 113.27 1k36 s GLU 33 Ca 0.58 0.65 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 1k36 s GLU 33 Cb -0.11 -3.90 -0.23 0.00 0.26 0.00 0.00 34.13 30.14 1k36 s GLU 33 CO 0.52 -1.35 2.49 0.28 -0.54 0.00 0.00 175.26 176.66 1k36 n VAL 34 N 6.77 -0.01 0.00 3.70 0.31 -1.26 -1.57 118.33 126.27 1k36 n VAL 34 Ca 0.12 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1k36 n VAL 34 Cb 0.49 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 6.17 0.31 3.25 2.92 0.00 -1.26 -5.15 105.19 111.44 1k36 n GLY 35 Ca 0.62 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.39 1k36 n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1k36 n TYR 36 N 0.00 -3.98 -0.06 1.61 4.02 -0.61 -4.35 117.16 113.80 1k36 n TYR 36 Ca 0.00 -0.98 -0.10 0.00 -0.01 0.00 0.00 57.90 56.80 1k36 n TYR 36 Cb 0.00 -0.88 -0.03 0.00 -0.02 0.00 0.00 39.34 38.40 1k36 n TYR 36 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1k36 n THR 37 N -3.65 1.33 -2.92 -0.72 5.66 -1.15 -4.71 114.28 108.11 1k36 n THR 37 Ca 0.14 0.09 -0.31 0.00 -3.05 0.00 0.00 64.05 60.92 1k36 n THR 37 Cb 0.49 -2.03 -0.04 0.00 -1.55 0.00 0.00 70.33 67.20 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 -4.83 2.11 0.00 1.09 0.00 -1.26 -4.93 107.32 99.50 1k36 s GLY 38 Ca -0.22 -0.07 0.20 0.00 0.00 0.00 0.00 44.72 44.63 1k36 s GLY 38 CO 0.31 0.14 1.67 -0.62 0.00 0.00 0.00 173.10 174.59 1k36 n VAL 39 N -0.96 0.00 1.00 1.40 0.31 -1.26 -2.86 118.33 115.95 1k36 n VAL 39 Ca 0.03 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.50 1k36 n VAL 39 Cb 0.54 -0.49 0.61 0.00 -0.91 0.00 0.00 33.84 33.59 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 -0.89 0.00 -3.12 5.55 0.00 -1.26 -4.84 116.66 112.10 1k36 n ARG 40 Ca 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.96 1k36 n ARG 40 Cb 0.07 -1.50 0.02 0.00 0.00 0.00 0.00 32.46 31.05 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 -2.23 0.39 -4.17 0.00 0.00 -1.26 -1.57 120.64 111.80 1k36 n GLU 42 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.83 1k36 n GLU 42 Cb 0.54 -0.19 -0.16 0.00 0.00 0.00 0.00 31.44 31.63 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 -0.83 2.38 -0.47 4.31 -3.43 -1.26 -5.00 115.29 110.99 1k36 s HIS 43 Ca 0.00 -1.32 -0.29 0.00 -0.80 0.00 0.00 55.06 52.65 1k36 s HIS 43 Cb 0.00 -1.69 0.03 0.00 -1.43 0.00 0.00 32.58 29.48 1k36 s HIS 43 CO 0.00 -0.68 1.13 0.12 -2.00 0.00 0.00 174.74 173.31 1k36 s PHE 44 N 1.30 2.84 -0.61 0.38 5.36 -1.26 -2.94 117.98 123.04 1k36 s PHE 44 Ca 0.02 0.74 0.25 0.00 -0.96 0.00 0.00 56.93 56.98 1k36 s PHE 44 Cb -0.13 -4.38 0.90 0.00 -0.34 0.00 0.00 43.02 39.07 1k36 s PHE 44 CO -0.09 -1.24 1.75 0.34 -1.46 0.00 0.00 175.22 174.51 1k36 n PHE 45 N 7.77 0.86 1.30 10.12 7.35 -1.26 -4.92 117.46 138.69 1k36 n PHE 45 Ca 0.12 0.29 0.13 0.00 -0.76 0.00 0.00 57.45 57.23 1k36 n PHE 45 Cb 0.49 -0.97 0.36 0.00 0.35 0.00 0.00 39.48 39.70 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28