#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 6.69 0.42 4.52 0.15 -1.26 -4.95 113.70 119.27 1k36 s SER 2 Ca 0.00 -2.01 -0.21 0.00 0.70 0.00 0.00 55.95 54.43 1k36 s SER 2 Cb 0.00 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.63 1k36 s SER 2 CO 0.00 -1.32 0.95 -0.51 1.20 0.00 0.00 173.24 173.56 1k36 s ILE 3 N 4.55 4.35 0.30 6.45 1.10 -1.26 -4.07 121.20 132.61 1k36 s ILE 3 Ca 0.50 1.50 0.11 0.00 -0.51 0.00 0.00 60.65 62.26 1k36 s ILE 3 Cb 0.02 -3.62 -0.05 0.00 0.15 0.00 0.00 42.46 38.95 1k36 s ILE 3 CO -0.00 -0.28 -0.14 -0.89 -2.11 0.00 0.00 174.94 171.51 1k36 s THR 4 N -2.13 2.54 0.35 4.00 2.01 -0.92 -4.87 115.64 116.62 1k36 s THR 4 Ca 0.61 -2.29 0.08 0.00 0.31 0.00 0.00 61.69 60.40 1k36 s THR 4 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1k36 s THR 4 CO 0.14 -0.34 0.19 -0.54 -0.69 0.00 0.00 174.62 173.38 1k36 s LYS 5 N -3.56 2.44 0.00 4.92 1.02 -1.26 -0.40 119.74 122.90 1k36 s LYS 5 Ca 0.31 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.78 1k36 s LYS 5 Cb -0.03 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1k36 s LYS 5 CO 0.16 0.06 0.00 0.00 -0.92 0.00 0.00 175.35 174.65 1k36 n SER 7 N 0.00 0.44 -0.40 0.00 7.64 -1.26 -5.01 113.62 115.03 1k36 n SER 7 Ca 0.00 -0.41 0.03 0.00 1.01 0.00 0.00 58.87 59.50 1k36 n SER 7 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1k36 n SER 7 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k36 n SER 8 N -1.06 1.14 -0.13 6.43 2.88 -1.26 -3.50 113.62 118.13 1k36 n SER 8 Ca 0.00 -2.01 0.08 0.00 -1.33 0.00 0.00 58.87 55.61 1k36 n SER 8 Cb 0.00 -0.15 0.11 0.00 -0.75 0.00 0.00 64.21 63.42 1k36 n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1k36 n ASP 9 N 0.11 1.96 -0.74 -3.46 2.03 -1.26 -4.67 116.55 110.52 1k36 n ASP 9 Ca 0.07 -2.84 0.02 0.00 0.52 0.00 0.00 54.79 52.56 1k36 n ASP 9 Cb 0.18 -0.36 0.02 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.15 0.15 -3.06 -0.67 1.56 -1.23 -4.93 117.12 107.78 1k36 n MET 10 Ca 0.12 -1.47 -0.38 0.00 -0.27 0.00 0.00 57.70 55.71 1k36 n MET 10 Cb 0.62 -0.48 -0.01 0.00 2.15 0.00 0.00 33.22 35.50 1k36 n MET 10 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1k36 n ASN 11 N -0.01 5.76 -2.38 6.12 2.85 -1.26 -4.80 115.26 121.53 1k36 n ASN 11 Ca 0.04 -3.47 -0.31 0.00 -0.11 0.00 0.00 54.58 50.72 1k36 n ASN 11 Cb 0.82 -1.06 0.04 0.00 1.24 0.00 0.00 39.78 40.81 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k36 n GLY 12 N 0.94 5.99 2.18 8.20 0.00 -1.26 -4.67 105.19 116.57 1k36 n GLY 12 Ca 0.30 -2.53 0.00 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.71 -4.21 -3.17 1.61 9.36 -1.26 -5.08 117.16 113.69 1k36 n TYR 13 Ca 0.52 1.32 -0.41 0.00 3.32 0.00 0.00 57.90 62.65 1k36 n TYR 13 Cb 0.67 3.26 -0.07 0.00 -0.63 0.00 0.00 39.34 42.57 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 5.70 2.40 -4.00 0.00 4.77 -0.89 -4.60 117.00 120.38 1k36 n LEU 15 Ca -0.02 0.27 -0.35 0.00 -0.03 0.00 0.00 56.01 55.88 1k36 n LEU 15 Cb 0.49 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.45 1k36 n LEU 15 CO 0.43 0.68 0.35 1.41 -1.33 0.00 0.00 177.39 178.93 1k36 n HIS 16 N -3.78 3.91 -2.87 -1.77 8.25 -1.19 -5.00 115.22 112.78 1k36 n HIS 16 Ca -0.33 -4.02 0.00 0.00 -0.26 0.00 0.00 57.72 53.11 1k36 n HIS 16 Cb 0.94 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1k36 n HIS 16 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k36 n GLY 17 N 2.00 -1.29 3.51 -1.41 0.00 -1.26 -0.72 105.19 106.03 1k36 n GLY 17 Ca 0.23 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.56 2.15 0.30 1.61 -1.52 -0.69 -4.93 119.66 116.03 1k36 s GLN 18 Ca 0.00 -0.96 -0.18 0.00 -1.95 0.00 0.00 55.36 52.27 1k36 s GLN 18 Cb 0.00 -2.27 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 1k36 s GLN 18 CO 0.00 0.54 0.78 0.00 -0.25 0.00 0.00 175.29 176.36 1k36 n ILE 20 N 0.08 0.00 -3.78 0.00 5.41 0.22 -4.18 119.36 117.11 1k36 n ILE 20 Ca 0.02 -1.02 -0.14 0.00 1.00 0.00 0.00 62.75 62.61 1k36 n ILE 20 Cb 0.52 0.80 -0.14 0.00 -0.71 0.00 0.00 39.64 40.11 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 -3.59 -0.10 -0.09 1.39 6.14 0.46 -1.61 117.35 119.96 1k36 s TYR 21 Ca 0.17 0.33 -0.15 0.00 0.64 0.00 0.00 57.07 58.06 1k36 s TYR 21 Cb -0.03 -0.09 -0.05 0.00 0.42 0.00 0.00 41.96 42.21 1k36 s TYR 21 CO 0.12 -0.12 0.36 -0.51 0.64 0.00 0.00 175.55 176.05 1k36 s LEU 22 N 0.85 4.35 0.07 6.97 2.01 -1.08 -2.17 118.68 129.68 1k36 s LEU 22 Ca -0.07 0.74 0.18 0.00 0.01 0.00 0.00 54.13 54.99 1k36 s LEU 22 Cb -0.09 -2.50 -0.13 0.00 0.01 0.00 0.00 46.19 43.48 1k36 s LEU 22 CO -0.04 0.19 0.81 0.55 1.01 0.00 0.00 176.35 178.87 1k36 n VAL 23 N 2.82 1.07 0.53 -1.59 3.14 -1.26 -2.62 118.33 120.43 1k36 n VAL 23 Ca -0.12 -0.67 0.13 0.00 -2.96 0.00 0.00 64.34 60.71 1k36 n VAL 23 Cb 0.52 -0.65 0.39 0.00 -1.06 0.00 0.00 33.84 33.04 1k36 n VAL 23 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1k36 h ASP 24 N 0.00 0.00 -1.40 6.55 3.04 -1.93 -3.34 116.42 119.34 1k36 h ASP 24 Ca -0.15 0.00 -0.44 0.00 -3.24 0.00 0.00 57.03 53.20 1k36 h ASP 24 Cb 1.51 0.00 -0.32 0.00 -1.04 0.00 0.00 39.33 39.48 1k36 h ASP 24 CO 0.04 0.00 -0.94 0.80 -2.04 0.00 0.00 179.24 177.10 1k36 n MET 25 N -2.41 0.82 -0.71 4.15 0.00 -1.25 -5.06 117.12 112.67 1k36 n MET 25 Ca 0.05 -2.83 -0.09 0.00 0.00 0.00 0.00 57.70 54.82 1k36 n MET 25 Cb 0.42 -1.36 -0.10 0.00 0.00 0.00 0.00 33.22 32.18 1k36 n MET 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1k36 n SER 26 N 1.07 -0.77 -3.47 6.12 2.88 -1.08 -4.60 113.62 113.77 1k36 n SER 26 Ca 0.18 -0.33 -0.07 0.00 -1.33 0.00 0.00 58.87 57.31 1k36 n SER 26 Cb 0.60 -0.27 -0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1k36 n SER 26 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1k36 s GLN 27 N 3.33 1.90 0.28 -1.46 0.74 -1.23 -5.00 119.66 118.21 1k36 s GLN 27 Ca 0.56 -1.13 -0.29 0.00 0.05 0.00 0.00 55.36 54.55 1k36 s GLN 27 Cb -0.36 0.59 -0.09 0.00 1.10 0.00 0.00 33.01 34.25 1k36 s GLN 27 CO 0.24 -0.88 1.02 1.21 -0.55 0.00 0.00 175.29 176.33 1k36 s ASN 28 N -3.00 7.38 -0.14 6.67 3.84 -1.26 -2.62 114.94 125.80 1k36 s ASN 28 Ca 0.13 2.08 -0.03 0.00 0.21 0.00 0.00 52.86 55.26 1k36 s ASN 28 Cb -0.05 -2.61 0.05 0.00 -0.55 0.00 0.00 41.25 38.08 1k36 s ASN 28 CO 0.08 -0.05 0.03 -0.47 -2.79 0.00 0.00 177.10 173.90 1k36 s TYR 29 N -1.26 0.78 -0.22 0.43 6.14 -0.63 -4.84 117.35 117.75 1k36 s TYR 29 Ca 0.45 -0.52 0.00 0.00 0.64 0.00 0.00 57.07 57.64 1k36 s TYR 29 Cb -0.27 -0.89 0.03 0.00 0.42 0.00 0.00 41.96 41.24 1k36 s TYR 29 CO 0.35 -0.49 -0.13 0.00 0.64 0.00 0.00 175.55 175.92 1k36 s ARG 31 N 1.29 4.17 0.83 0.00 6.06 -0.67 -4.86 118.95 125.76 1k36 s ARG 31 Ca 0.01 1.26 -0.12 0.00 -2.50 0.00 0.00 55.73 54.38 1k36 s ARG 31 Cb -0.15 -3.70 0.10 0.00 0.06 0.00 0.00 34.95 31.26 1k36 s ARG 31 CO -0.08 -0.77 1.19 0.00 -2.50 0.00 0.00 175.30 173.14 1k36 s GLU 33 N -5.58 4.10 -0.62 0.00 2.12 0.10 -4.86 118.70 113.96 1k36 s GLU 33 Ca 0.63 1.17 -0.31 0.00 0.36 0.00 0.00 54.97 56.82 1k36 s GLU 33 Cb -0.11 -3.73 -0.14 0.00 0.26 0.00 0.00 34.13 30.42 1k36 s GLU 33 CO 0.50 -0.86 2.44 0.28 -0.54 0.00 0.00 175.26 177.08 1k36 n VAL 34 N 5.77 0.02 0.00 3.70 0.31 -1.26 -2.07 118.33 124.81 1k36 n VAL 34 Ca 0.12 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1k36 n VAL 34 Cb 0.47 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 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 6.37 0.39 3.89 2.92 0.00 -1.26 -5.15 105.19 112.36 1k36 n GLY 35 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 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 2.52 -0.35 1.61 2.02 -0.88 -4.62 117.35 117.66 1k36 s TYR 36 Ca 0.00 0.65 0.07 0.00 -0.37 0.00 0.00 57.07 57.42 1k36 s TYR 36 Cb 0.00 -3.64 0.57 0.00 -0.40 0.00 0.00 41.96 38.49 1k36 s TYR 36 CO 0.00 -2.09 1.65 -2.37 -1.57 0.00 0.00 175.55 171.16 1k36 n THR 37 N -3.50 2.82 -3.43 -0.71 5.66 -1.16 -4.87 114.28 109.08 1k36 n THR 37 Ca 0.10 -2.42 -0.12 0.00 -3.05 0.00 0.00 64.05 58.56 1k36 n THR 37 Cb 0.60 -0.38 -0.02 0.00 -1.55 0.00 0.00 70.33 68.99 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 -2.04 -0.60 -0.17 1.09 0.00 -1.26 -5.01 107.32 99.32 1k36 s GLY 38 Ca 0.50 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.77 1k36 s GLY 38 CO 0.04 0.17 1.31 1.55 0.00 0.00 0.00 173.10 176.17 1k36 n VAL 39 N -0.37 1.77 -1.09 1.40 3.14 -1.26 -3.58 118.33 118.34 1k36 n VAL 39 Ca -0.16 -0.79 0.02 0.00 -2.96 0.00 0.00 64.34 60.45 1k36 n VAL 39 Cb 0.65 -0.66 0.02 0.00 -1.06 0.00 0.00 33.84 32.79 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 -0.08 0.80 -2.29 1.45 0.00 -1.26 -4.87 116.66 110.40 1k36 n ARG 40 Ca 0.23 -1.16 -0.06 0.00 -0.00 0.00 0.00 57.85 56.86 1k36 n ARG 40 Cb 0.92 -0.75 0.01 0.00 0.00 0.00 0.00 32.46 32.64 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 0.73 0.00 -4.11 0.00 4.07 -1.26 -2.10 120.64 117.98 1k36 n GLU 42 Ca -0.01 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.76 1k36 n GLU 42 Cb 0.34 -0.10 -0.16 0.00 -0.06 0.00 0.00 31.44 31.47 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1k36 s HIS 43 N -1.00 2.76 -0.43 4.31 -3.43 -1.26 -5.03 115.29 111.20 1k36 s HIS 43 Ca 0.00 -1.66 -0.26 0.00 -0.80 0.00 0.00 55.06 52.34 1k36 s HIS 43 Cb 0.00 -1.89 0.02 0.00 -1.43 0.00 0.00 32.58 29.28 1k36 s HIS 43 CO 0.00 -0.80 0.95 0.12 -2.00 0.00 0.00 174.74 173.00 1k36 s PHE 44 N 1.30 2.97 0.26 0.38 5.36 -1.26 -3.01 117.98 123.98 1k36 s PHE 44 Ca 0.04 0.57 0.27 0.00 -0.96 0.00 0.00 56.93 56.85 1k36 s PHE 44 Cb -0.14 -3.89 1.22 0.00 -0.34 0.00 0.00 43.02 39.88 1k36 s PHE 44 CO -0.12 -1.01 1.95 0.27 -1.46 0.00 0.00 175.22 174.85 1k36 h PHE 45 N 8.86 0.00 -0.01 10.12 -5.15 -1.89 -3.48 116.94 125.39 1k36 h PHE 45 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 1k36 h PHE 45 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.25 1k36 h PHE 45 CO 0.87 0.16 0.00 1.28 -2.00 0.00 0.00 178.31 178.61