#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 5.92 0.05 6.55 0.01 -1.26 -5.03 113.70 119.94 1k36 s SER 2 Ca 0.00 -3.63 -0.07 0.00 1.31 0.00 0.00 55.95 53.56 1k36 s SER 2 Cb 0.00 -1.90 -0.01 0.00 0.21 0.00 0.00 66.02 64.32 1k36 s SER 2 CO 0.00 -0.20 0.13 -0.51 0.41 0.00 0.00 173.24 173.06 1k36 s ILE 3 N -1.21 0.14 0.23 1.44 2.07 -1.26 -3.36 121.20 119.24 1k36 s ILE 3 Ca 0.26 -1.11 0.10 0.00 -1.41 0.00 0.00 60.65 58.49 1k36 s ILE 3 Cb -0.08 -1.02 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 1k36 s ILE 3 CO -0.12 -0.61 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.29 1k36 s THR 4 N -2.91 2.96 0.41 4.00 2.01 -0.76 -4.87 115.64 116.49 1k36 s THR 4 Ca -0.02 -1.96 0.03 0.00 0.31 0.00 0.00 61.69 60.05 1k36 s THR 4 Cb 0.01 -2.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.00 1k36 s THR 4 CO -0.06 -0.25 0.60 -0.54 -0.69 0.00 0.00 174.62 173.68 1k36 s LYS 5 N -3.18 3.03 0.00 4.92 1.02 -1.26 -0.76 119.74 123.51 1k36 s LYS 5 Ca 0.27 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.51 1k36 s LYS 5 Cb -0.07 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1k36 s LYS 5 CO 0.15 -0.18 0.00 0.00 -0.92 0.00 0.00 175.35 174.41 1k36 n SER 7 N 0.00 1.23 -0.44 0.00 2.88 -1.26 -5.01 113.62 111.02 1k36 n SER 7 Ca 0.00 -1.10 0.03 0.00 -1.33 0.00 0.00 58.87 56.47 1k36 n SER 7 Cb 0.00 0.04 0.09 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.78 1.24 -0.06 -3.46 7.64 -1.26 -3.45 113.62 112.49 1k36 n SER 8 Ca -0.00 -2.04 0.06 0.00 1.01 0.00 0.00 58.87 57.90 1k36 n SER 8 Cb 0.03 -0.20 0.08 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.09 2.07 -0.20 6.43 -0.08 -1.26 -4.64 116.55 118.96 1k36 n ASP 9 Ca 0.07 -2.61 0.08 0.00 -1.51 0.00 0.00 54.79 50.82 1k36 n ASP 9 Cb 0.22 -0.26 0.12 0.00 2.34 0.00 0.00 41.12 43.54 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 -1.01 1.07 -3.18 -0.67 1.56 -1.22 -4.88 117.12 108.79 1k36 n MET 10 Ca 0.09 -2.36 -0.40 0.00 -0.27 0.00 0.00 57.70 54.76 1k36 n MET 10 Cb 0.50 -1.32 -0.01 0.00 2.15 0.00 0.00 33.22 34.54 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 -1.15 5.69 0.00 6.12 5.03 -1.26 -4.63 115.26 125.06 1k36 n ASN 11 Ca 0.13 -3.34 0.00 0.00 0.87 0.00 0.00 54.58 52.24 1k36 n ASN 11 Cb 0.66 -1.17 0.00 0.00 -1.02 0.00 0.00 39.78 38.25 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k36 n GLY 12 N 1.53 -0.56 1.02 7.41 0.00 -1.26 -4.82 105.19 108.50 1k36 n GLY 12 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.10 0.00 -3.16 1.61 9.36 -1.26 -5.00 117.16 118.61 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 0.06 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.69 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 5.35 1.83 -4.33 0.00 4.77 -1.24 -4.68 117.00 118.69 1k36 n LEU 15 Ca -0.02 0.56 -0.46 0.00 -0.03 0.00 0.00 56.01 56.06 1k36 n LEU 15 Cb 0.49 -0.89 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 1k36 n LEU 15 CO 0.43 -0.23 0.65 -1.00 -1.33 0.00 0.00 177.39 175.90 1k36 s HIS 16 N -2.31 4.09 -0.87 -1.77 3.76 -1.25 -4.94 115.29 112.00 1k36 s HIS 16 Ca -0.20 -2.45 0.00 0.00 -0.15 0.00 0.00 55.06 52.26 1k36 s HIS 16 Cb 0.04 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.90 1k36 s HIS 16 CO 0.34 -0.96 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1k36 n GLY 17 N 3.14 -0.58 3.27 -2.22 0.00 -1.26 0.13 105.19 107.69 1k36 n GLY 17 Ca 0.20 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.35 1.26 -0.14 1.61 -1.52 -0.37 -4.97 119.66 115.19 1k36 s GLN 18 Ca 0.00 -1.06 -0.16 0.00 -1.95 0.00 0.00 55.36 52.19 1k36 s GLN 18 Cb 0.00 -1.46 -0.04 0.00 -0.22 0.00 0.00 33.01 31.28 1k36 s GLN 18 CO 0.00 0.36 0.40 0.00 -0.25 0.00 0.00 175.29 175.79 1k36 n ILE 20 N 3.62 0.00 -3.71 0.00 -0.00 -0.54 -3.64 119.36 115.10 1k36 n ILE 20 Ca -0.09 -1.60 -0.15 0.00 -0.00 0.00 0.00 62.75 60.91 1k36 n ILE 20 Cb 0.52 0.85 -0.15 0.00 -0.00 0.00 0.00 39.64 40.85 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 -3.13 -0.17 -0.03 4.28 6.14 0.06 -2.39 117.35 122.11 1k36 s TYR 21 Ca 0.26 0.55 -0.30 0.00 0.64 0.00 0.00 57.07 58.23 1k36 s TYR 21 Cb 0.01 -0.17 -0.03 0.00 0.42 0.00 0.00 41.96 42.19 1k36 s TYR 21 CO 0.19 -0.22 1.01 -0.51 0.64 0.00 0.00 175.55 176.65 1k36 s LEU 22 N 1.76 4.33 0.05 6.97 1.02 -1.08 -1.82 118.68 129.90 1k36 s LEU 22 Ca -0.03 1.65 0.16 0.00 0.02 0.00 0.00 54.13 55.93 1k36 s LEU 22 Cb -0.12 -3.57 -0.15 0.00 0.02 0.00 0.00 46.19 42.38 1k36 s LEU 22 CO -0.06 -0.34 0.79 0.55 0.02 0.00 0.00 176.35 177.31 1k36 n VAL 23 N 4.14 1.22 0.78 -1.59 3.14 -1.21 -2.48 118.33 122.32 1k36 n VAL 23 Ca 0.07 -0.70 0.13 0.00 -2.96 0.00 0.00 64.34 60.88 1k36 n VAL 23 Cb 0.50 -0.76 0.51 0.00 -1.06 0.00 0.00 33.84 33.03 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 -2.90 0.31 -2.96 6.55 9.92 -1.26 -4.01 116.55 122.21 1k36 n ASP 24 Ca -0.11 0.54 -0.15 0.00 -0.53 0.00 0.00 54.79 54.54 1k36 n ASP 24 Cb 0.86 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 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 -1.80 0.79 -0.69 -1.24 1.56 -1.24 -5.07 117.12 109.43 1k36 n MET 25 Ca 0.06 -2.47 -0.10 0.00 -0.27 0.00 0.00 57.70 54.92 1k36 n MET 25 Cb 0.34 -1.35 -0.10 0.00 2.15 0.00 0.00 33.22 34.26 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 1.32 -0.68 -3.56 6.12 3.41 -1.04 -4.61 113.62 114.58 1k36 n SER 26 Ca 0.15 -0.26 -0.17 0.00 -0.26 0.00 0.00 58.87 58.33 1k36 n SER 26 Cb 0.60 -0.24 -0.06 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 3.20 0.97 0.06 4.33 0.74 -1.22 -5.00 119.66 122.74 1k36 s GLN 27 Ca 0.60 0.39 -0.31 0.00 0.05 0.00 0.00 55.36 56.10 1k36 s GLN 27 Cb -0.39 0.46 -0.08 0.00 1.10 0.00 0.00 33.01 34.11 1k36 s GLN 27 CO 0.26 -0.27 1.66 -0.80 -0.55 0.00 0.00 175.29 175.59 1k36 s ASN 28 N -0.83 6.61 -0.10 6.67 -0.87 -1.26 -2.64 114.94 122.51 1k36 s ASN 28 Ca -0.09 2.47 0.03 0.00 -1.57 0.00 0.00 52.86 53.70 1k36 s ASN 28 Cb -0.01 -2.56 -0.01 0.00 -0.02 0.00 0.00 41.25 38.64 1k36 s ASN 28 CO 0.07 -0.89 -0.18 -0.47 -2.57 0.00 0.00 177.10 173.06 1k36 s TYR 29 N 2.81 2.67 -0.19 2.20 6.14 -1.00 -4.92 117.35 125.05 1k36 s TYR 29 Ca 0.74 -0.68 -0.01 0.00 0.64 0.00 0.00 57.07 57.76 1k36 s TYR 29 Cb -0.39 -1.74 0.05 0.00 0.42 0.00 0.00 41.96 40.30 1k36 s TYR 29 CO 0.32 -0.20 -0.03 0.00 0.64 0.00 0.00 175.55 176.28 1k36 s ARG 31 N 1.63 3.83 1.02 0.00 6.06 -0.97 -4.92 118.95 125.60 1k36 s ARG 31 Ca -0.01 0.47 -0.17 0.00 -2.50 0.00 0.00 55.73 53.52 1k36 s ARG 31 Cb -0.17 -3.79 0.23 0.00 0.06 0.00 0.00 34.95 31.29 1k36 s ARG 31 CO -0.07 -0.84 1.32 0.00 -2.50 0.00 0.00 175.30 173.21 1k36 s GLU 33 N -5.90 3.98 -0.62 0.00 2.12 0.36 -4.75 118.70 113.89 1k36 s GLU 33 Ca 0.76 0.76 -0.29 0.00 0.36 0.00 0.00 54.97 56.56 1k36 s GLU 33 Cb -0.03 -3.74 -0.12 0.00 0.26 0.00 0.00 34.13 30.49 1k36 s GLU 33 CO 0.54 -0.79 2.47 0.28 -0.54 0.00 0.00 175.26 177.22 1k36 n VAL 34 N 5.71 -0.01 0.00 3.70 0.31 -1.26 -2.06 118.33 124.71 1k36 n VAL 34 Ca 0.07 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.93 1k36 n VAL 34 Cb 0.48 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 6.23 0.32 3.86 2.92 0.00 -1.26 -5.13 105.19 112.13 1k36 n GLY 35 Ca 0.47 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.18 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 3.49 -1.48 1.61 1.51 -0.88 -3.75 117.35 117.85 1k36 s TYR 36 Ca 0.00 1.31 0.16 0.00 -1.01 0.00 0.00 57.07 57.53 1k36 s TYR 36 Cb 0.00 -2.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.07 1k36 s TYR 36 CO 0.00 -0.85 0.86 -2.37 -1.11 0.00 0.00 175.55 172.08 1k36 n THR 37 N -2.86 0.00 -3.79 -0.71 5.66 -1.16 -4.78 114.28 106.64 1k36 n THR 37 Ca 0.06 -0.33 -0.37 0.00 -3.05 0.00 0.00 64.05 60.36 1k36 n THR 37 Cb 0.54 1.19 -0.06 0.00 -1.55 0.00 0.00 70.33 70.45 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 -1.89 2.24 0.60 1.09 0.00 -1.26 -4.92 107.32 103.17 1k36 s GLY 38 Ca 0.13 -0.55 0.29 0.00 0.00 0.00 0.00 44.72 44.59 1k36 s GLY 38 CO 0.40 -0.29 1.55 -0.24 0.00 0.00 0.00 173.10 174.52 1k36 h VAL 39 N 3.75 0.14 0.00 1.40 3.04 -1.99 -3.37 116.25 119.22 1k36 h VAL 39 Ca -0.53 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1k36 h VAL 39 Cb 1.22 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1k36 h VAL 39 CO 0.60 0.00 0.00 -1.14 -1.01 0.00 0.00 177.57 176.02 1k36 n ARG 40 N -3.46 0.20 -2.98 4.17 0.63 -1.26 -5.01 116.66 108.95 1k36 n ARG 40 Ca 0.19 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.98 1k36 n ARG 40 Cb 1.23 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 34.12 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 2.31 3.21 -3.87 0.00 0.00 -1.26 -3.64 120.64 117.40 1k36 n GLU 42 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 57.16 57.08 1k36 n GLU 42 Cb 0.55 -0.90 -0.17 0.00 0.00 0.00 0.00 31.44 30.92 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 -1.81 1.45 -0.62 4.31 -3.43 -1.26 -5.08 115.29 108.85 1k36 s HIS 43 Ca 0.00 -0.83 -0.28 0.00 -0.80 0.00 0.00 55.06 53.15 1k36 s HIS 43 Cb 0.00 -1.20 0.03 0.00 -1.43 0.00 0.00 32.58 29.98 1k36 s HIS 43 CO 0.00 -0.54 1.26 0.12 -2.00 0.00 0.00 174.74 173.57 1k36 s PHE 44 N 1.72 2.46 0.36 0.38 5.36 -1.26 -2.98 117.98 124.02 1k36 s PHE 44 Ca 0.03 0.31 0.08 0.00 -0.96 0.00 0.00 56.93 56.38 1k36 s PHE 44 Cb -0.14 -4.52 0.69 0.00 -0.34 0.00 0.00 43.02 38.71 1k36 s PHE 44 CO -0.08 -1.78 1.88 0.27 -1.46 0.00 0.00 175.22 174.05 1k36 h PHE 45 N 9.97 0.35 -0.00 10.12 -5.15 -1.87 -3.47 116.94 126.89 1k36 h PHE 45 Ca -0.26 -0.04 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 1k36 h PHE 45 Cb 1.06 -0.10 0.00 0.00 0.22 0.00 0.00 35.95 37.13 1k36 h PHE 45 CO 1.06 0.45 0.00 1.28 -2.00 0.00 0.00 178.31 179.10