#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 0.19 -3.69 6.55 7.64 -1.26 -5.08 113.62 117.96 1k36 n SER 2 Ca 0.00 -2.27 -0.17 0.00 1.01 0.00 0.00 58.87 57.44 1k36 n SER 2 Cb 0.00 0.06 -0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1k36 s ILE 3 N -1.99 -0.15 0.55 0.44 1.10 -1.26 -2.02 121.20 117.87 1k36 s ILE 3 Ca 0.21 0.34 -0.01 0.00 -0.51 0.00 0.00 60.65 60.68 1k36 s ILE 3 Cb 0.39 -0.20 0.02 0.00 0.15 0.00 0.00 42.46 42.83 1k36 s ILE 3 CO -0.06 0.14 0.80 -0.89 -2.11 0.00 0.00 174.94 172.82 1k36 s THR 4 N 1.93 3.22 0.38 4.00 2.01 -0.78 -4.76 115.64 121.64 1k36 s THR 4 Ca 0.01 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.63 1k36 s THR 4 Cb -0.12 -3.23 -0.07 0.00 0.01 0.00 0.00 72.50 69.08 1k36 s THR 4 CO -0.04 -0.19 0.01 -0.75 -0.69 0.00 0.00 174.62 172.96 1k36 s LYS 5 N -4.80 1.85 0.00 4.92 2.20 -1.26 0.86 119.74 123.50 1k36 s LYS 5 Ca 0.54 -2.03 0.00 0.00 -0.36 0.00 0.00 55.97 54.12 1k36 s LYS 5 Cb -0.10 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 1k36 s LYS 5 CO 0.40 -0.06 0.00 0.00 -0.36 0.00 0.00 175.35 175.33 1k36 n SER 7 N 0.00 0.02 -0.14 0.00 2.88 -1.26 -5.01 113.62 110.11 1k36 n SER 7 Ca 0.00 -0.63 0.05 0.00 -1.33 0.00 0.00 58.87 56.96 1k36 n SER 7 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 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 -1.87 0.41 -0.54 -3.46 7.64 -1.26 -3.38 113.62 111.16 1k36 n SER 8 Ca 0.00 -1.78 0.06 0.00 1.01 0.00 0.00 58.87 58.16 1k36 n SER 8 Cb 0.00 -0.04 0.19 0.00 -1.01 0.00 0.00 64.21 63.35 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1k36 n ASP 9 N -0.38 2.23 -1.22 6.43 9.92 -1.26 -4.62 116.55 127.65 1k36 n ASP 9 Ca 0.08 -3.54 0.01 0.00 -0.53 0.00 0.00 54.79 50.81 1k36 n ASP 9 Cb 0.09 -0.52 -0.00 0.00 -0.64 0.00 0.00 41.12 40.06 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1k36 n MET 10 N -1.17 0.00 -0.80 -1.24 1.56 -1.22 -4.87 117.12 109.38 1k36 n MET 10 Ca 0.20 -1.58 -0.04 0.00 -0.27 0.00 0.00 57.70 56.01 1k36 n MET 10 Cb 0.75 0.02 0.21 0.00 2.15 0.00 0.00 33.22 36.35 1k36 n MET 10 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1k36 n ASN 11 N 0.31 3.00 0.19 6.12 0.23 -1.26 -4.56 115.26 119.29 1k36 n ASN 11 Ca -0.02 -3.59 0.14 0.00 -0.53 0.00 0.00 54.58 50.59 1k36 n ASN 11 Cb 0.97 -0.65 0.47 0.00 -2.08 0.00 0.00 39.78 38.49 1k36 n ASN 11 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 1k36 h GLY 12 N 1.22 0.00 0.00 4.83 0.00 -1.95 -3.26 103.07 103.91 1k36 h GLY 12 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1k36 h GLY 12 CO 0.46 0.00 -0.46 -1.82 0.00 0.00 0.00 176.54 174.72 1k36 h TYR 13 N 0.00 0.00 -3.62 5.60 3.20 -1.96 -3.44 116.97 116.74 1k36 h TYR 13 Ca 0.00 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.22 1k36 h TYR 13 Cb 0.61 0.00 -0.22 0.00 1.54 0.00 0.00 36.73 38.66 1k36 h TYR 13 CO 0.00 1.17 -0.62 0.00 -1.64 0.00 0.00 178.16 177.08 1k36 n LEU 15 N 4.81 2.47 -4.11 0.00 4.77 -1.00 -4.65 117.00 119.28 1k36 n LEU 15 Ca -0.16 0.26 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 1k36 n LEU 15 Cb 0.51 -1.09 -0.08 0.00 -2.33 0.00 0.00 43.42 40.44 1k36 n LEU 15 CO 0.31 0.73 0.18 -1.00 -1.33 0.00 0.00 177.39 176.28 1k36 s HIS 16 N -2.52 3.60 -2.77 -1.77 3.76 -1.23 -5.00 115.29 109.38 1k36 s HIS 16 Ca -0.24 -2.80 0.00 0.00 -0.15 0.00 0.00 55.06 51.87 1k36 s HIS 16 Cb 0.07 -3.24 0.00 0.00 1.11 0.00 0.00 32.58 30.51 1k36 s HIS 16 CO 0.73 -0.80 0.00 0.41 -0.85 0.00 0.00 174.74 174.22 1k36 n GLY 17 N 3.05 -0.76 3.34 -2.22 0.00 -1.26 -0.38 105.19 106.96 1k36 n GLY 17 Ca 0.14 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.11 1.28 0.15 1.61 -0.21 -0.47 -4.95 119.66 115.97 1k36 s GLN 18 Ca 0.00 -1.35 -0.11 0.00 0.02 0.00 0.00 55.36 53.93 1k36 s GLN 18 Cb 0.00 -1.50 -0.07 0.00 1.00 0.00 0.00 33.01 32.44 1k36 s GLN 18 CO 0.00 0.33 0.49 0.00 -2.12 0.00 0.00 175.29 173.98 1k36 n ILE 20 N 0.51 0.00 -3.72 0.00 5.41 0.20 -4.54 119.36 117.23 1k36 n ILE 20 Ca -0.04 -0.61 -0.12 0.00 1.00 0.00 0.00 62.75 62.98 1k36 n ILE 20 Cb 0.52 0.44 -0.12 0.00 -0.71 0.00 0.00 39.64 39.77 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 -4.99 -0.44 -0.09 1.39 6.14 0.25 -1.64 117.35 117.97 1k36 s TYR 21 Ca 0.10 1.00 -0.17 0.00 0.64 0.00 0.00 57.07 58.63 1k36 s TYR 21 Cb -0.01 0.14 -0.05 0.00 0.42 0.00 0.00 41.96 42.46 1k36 s TYR 21 CO 0.07 -0.28 0.46 -0.51 0.64 0.00 0.00 175.55 175.94 1k36 s LEU 22 N 1.27 4.33 0.01 6.97 2.01 -1.07 -1.86 118.68 130.33 1k36 s LEU 22 Ca -0.09 0.86 0.16 0.00 0.01 0.00 0.00 54.13 55.06 1k36 s LEU 22 Cb -0.09 -2.67 -0.17 0.00 0.01 0.00 0.00 46.19 43.26 1k36 s LEU 22 CO -0.10 0.08 0.73 0.52 1.01 0.00 0.00 176.35 178.60 1k36 n VAL 23 N 3.19 1.32 0.24 -1.59 0.31 -0.86 -1.79 118.33 119.16 1k36 n VAL 23 Ca -0.09 -0.73 0.13 0.00 -0.01 0.00 0.00 64.34 63.65 1k36 n VAL 23 Cb 0.52 -0.81 0.30 0.00 -0.91 0.00 0.00 33.84 32.94 1k36 n VAL 23 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1k36 h ASP 24 N 0.00 0.00 -1.80 4.52 3.32 -1.93 -3.32 116.42 117.20 1k36 h ASP 24 Ca -0.22 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.36 1k36 h ASP 24 Cb 1.74 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.92 1k36 h ASP 24 CO 0.06 0.00 -1.11 0.23 -1.72 0.00 0.00 179.24 176.70 1k36 n MET 25 N -3.08 0.92 -0.68 3.56 2.81 -1.25 -5.06 117.12 114.34 1k36 n MET 25 Ca 0.03 -3.20 -0.10 0.00 -1.81 0.00 0.00 57.70 52.62 1k36 n MET 25 Cb 0.47 -1.56 -0.10 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.52 -0.68 -3.56 7.83 3.41 -0.74 -4.57 113.62 115.83 1k36 n SER 26 Ca 0.22 -0.26 -0.17 0.00 -0.26 0.00 0.00 58.87 58.40 1k36 n SER 26 Cb 0.64 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.28 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 3.19 0.99 0.17 4.33 0.74 -1.21 -4.97 119.66 122.89 1k36 s GLN 27 Ca 0.59 0.39 -0.33 0.00 0.05 0.00 0.00 55.36 56.06 1k36 s GLN 27 Cb -0.38 0.47 -0.13 0.00 1.10 0.00 0.00 33.01 34.07 1k36 s GLN 27 CO 0.26 -0.27 1.65 0.09 -0.55 0.00 0.00 175.29 176.46 1k36 n ASN 28 N 1.31 3.46 -4.04 6.67 3.02 -1.26 -2.61 115.26 121.81 1k36 n ASN 28 Ca -0.18 1.07 -0.32 0.00 -0.03 0.00 0.00 54.58 55.12 1k36 n ASN 28 Cb 0.57 -1.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.10 1k36 n ASN 28 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1k36 s TYR 29 N 1.16 3.25 -0.29 3.10 6.14 -0.65 -4.89 117.35 125.17 1k36 s TYR 29 Ca 0.78 -2.39 -0.03 0.00 0.64 0.00 0.00 57.07 56.07 1k36 s TYR 29 Cb -0.61 -2.08 0.03 0.00 0.42 0.00 0.00 41.96 39.72 1k36 s TYR 29 CO 0.36 -0.88 0.01 0.00 0.64 0.00 0.00 175.55 175.68 1k36 s ARG 31 N 1.34 4.08 0.93 0.00 6.06 -0.59 -4.87 118.95 125.91 1k36 s ARG 31 Ca -0.01 1.13 -0.15 0.00 -2.50 0.00 0.00 55.73 54.19 1k36 s ARG 31 Cb -0.18 -3.74 0.17 0.00 0.06 0.00 0.00 34.95 31.26 1k36 s ARG 31 CO -0.01 -0.88 1.27 0.00 -2.50 0.00 0.00 175.30 173.18 1k36 s GLU 33 N -5.76 3.75 -0.81 0.00 2.12 0.49 -4.81 118.70 113.68 1k36 s GLU 33 Ca 0.70 0.69 -0.31 0.00 0.36 0.00 0.00 54.97 56.41 1k36 s GLU 33 Cb -0.06 -3.90 -0.18 0.00 0.26 0.00 0.00 34.13 30.24 1k36 s GLU 33 CO 0.52 -1.35 2.56 0.28 -0.54 0.00 0.00 175.26 176.73 1k36 n VAL 34 N 6.75 -0.00 0.00 3.70 0.31 -1.26 -1.97 118.33 125.86 1k36 n VAL 34 Ca 0.13 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1k36 n VAL 34 Cb 0.49 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 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 6.50 0.21 3.90 2.92 0.00 -1.26 -5.15 105.19 112.30 1k36 n GLY 35 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 1.72 -0.27 1.61 2.02 -0.83 -4.64 117.35 116.95 1k36 s TYR 36 Ca 0.00 0.41 0.10 0.00 -0.37 0.00 0.00 57.07 57.21 1k36 s TYR 36 Cb 0.00 -3.96 0.49 0.00 -0.40 0.00 0.00 41.96 38.09 1k36 s TYR 36 CO 0.00 -2.63 1.42 -2.37 -1.57 0.00 0.00 175.55 170.40 1k36 n THR 37 N -3.79 2.46 -3.51 -0.71 5.66 -1.17 -4.84 114.28 108.38 1k36 n THR 37 Ca 0.14 -2.74 -0.14 0.00 -3.05 0.00 0.00 64.05 58.26 1k36 n THR 37 Cb 0.60 -0.30 -0.04 0.00 -1.55 0.00 0.00 70.33 69.03 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 -2.60 -0.51 -0.16 1.09 0.00 -1.26 -4.99 107.32 98.87 1k36 s GLY 38 Ca 0.43 0.64 -0.02 0.00 0.00 0.00 0.00 44.72 45.77 1k36 s GLY 38 CO -0.00 0.32 2.30 1.55 0.00 0.00 0.00 173.10 177.26 1k36 n VAL 39 N 0.15 2.56 -1.99 1.40 3.14 -1.26 -3.48 118.33 118.85 1k36 n VAL 39 Ca -0.18 -1.32 -0.02 0.00 -2.96 0.00 0.00 64.34 59.87 1k36 n VAL 39 Cb 0.62 -1.52 -0.02 0.00 -1.06 0.00 0.00 33.84 31.86 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 1.14 0.00 -1.52 1.45 0.63 -1.26 -5.00 116.66 112.10 1k36 n ARG 40 Ca 0.22 -0.29 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1k36 n ARG 40 Cb 0.59 0.15 0.00 0.00 0.45 0.00 0.00 32.46 33.65 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 1.08 0.00 -4.94 0.00 0.00 -1.26 -2.38 120.64 113.14 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 1k36 n GLU 42 Cb 0.15 -0.10 -0.16 0.00 0.00 0.00 0.00 31.44 31.32 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 -1.21 2.65 -0.11 4.31 -3.43 -1.26 -5.05 115.29 111.19 1k36 s HIS 43 Ca 0.00 -1.04 -0.22 0.00 -0.80 0.00 0.00 55.06 53.00 1k36 s HIS 43 Cb 0.00 -1.78 -0.03 0.00 -1.43 0.00 0.00 32.58 29.34 1k36 s HIS 43 CO 0.00 -0.43 0.66 0.12 -2.00 0.00 0.00 174.74 173.09 1k36 s PHE 44 N 0.50 3.51 -0.09 0.38 5.36 -1.26 -3.04 117.98 123.35 1k36 s PHE 44 Ca -0.13 1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 1k36 s PHE 44 Cb -0.17 -2.78 -0.26 0.00 -0.34 0.00 0.00 43.02 39.47 1k36 s PHE 44 CO 0.05 0.02 0.50 0.35 -1.46 0.00 0.00 175.22 174.67 1k36 h PHE 45 N 6.95 0.39 0.00 10.12 3.57 -1.88 -3.47 116.94 132.62 1k36 h PHE 45 Ca -0.38 -0.28 0.00 0.00 3.53 0.00 0.00 57.97 60.84 1k36 h PHE 45 Cb 1.18 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1k36 h PHE 45 CO 0.66 1.57 0.00 1.28 -2.23 0.00 0.00 178.31 179.59