#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 -0.60 0.23 4.52 0.01 -1.26 -5.02 113.70 111.58 1k36 s SER 2 Ca 0.00 0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.62 1k36 s SER 2 Cb 0.00 0.57 -0.05 0.00 0.21 0.00 0.00 66.02 66.75 1k36 s SER 2 CO 0.00 -0.82 -0.14 -0.51 0.41 0.00 0.00 173.24 172.17 1k36 s ILE 3 N -2.74 1.89 0.32 1.44 1.10 -1.26 -1.46 121.20 120.49 1k36 s ILE 3 Ca -0.04 -2.24 0.05 0.00 -0.51 0.00 0.00 60.65 57.91 1k36 s ILE 3 Cb -0.01 -2.16 -0.02 0.00 0.15 0.00 0.00 42.46 40.42 1k36 s ILE 3 CO -0.04 -0.51 0.19 0.41 -2.11 0.00 0.00 174.94 172.89 1k36 n THR 4 N -0.47 0.00 -2.02 4.00 -1.04 -0.32 -4.88 114.28 109.55 1k36 n THR 4 Ca -0.07 -2.10 -0.21 0.00 -2.04 0.00 0.00 64.05 59.63 1k36 n THR 4 Cb 0.61 0.92 0.14 0.00 -1.82 0.00 0.00 70.33 70.18 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 -0.66 -0.64 0.00 -2.82 5.02 -1.26 -0.38 118.16 117.42 1k36 n LYS 5 Ca 0.02 -1.82 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1k36 n LYS 5 Cb 0.53 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.66 1k36 n LYS 5 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k36 n SER 7 N 0.00 0.00 -4.91 0.00 3.41 -1.26 -5.10 113.62 105.76 1k36 n SER 7 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 1k36 n SER 7 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1k36 n SER 7 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1k36 s SER 8 N -4.00 4.71 -0.31 4.04 0.01 -1.26 -3.77 113.70 113.12 1k36 s SER 8 Ca 0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 1k36 s SER 8 Cb 0.00 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 65.01 1k36 s SER 8 CO 0.00 -1.72 0.00 0.47 0.41 0.00 0.00 173.24 172.40 1k36 n ASP 9 N -3.10 -1.46 0.00 2.44 9.92 -1.26 -4.64 116.55 118.45 1k36 n ASP 9 Ca 0.08 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1k36 n ASP 9 Cb 0.61 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.61 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 -2.09 0.56 -3.53 -1.24 1.56 -1.25 -4.90 117.12 106.24 1k36 n MET 10 Ca -0.04 -0.77 -0.40 0.00 -0.27 0.00 0.00 57.70 56.23 1k36 n MET 10 Cb 0.38 -0.88 -0.05 0.00 2.15 0.00 0.00 33.22 34.82 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 -0.33 6.36 -0.02 6.12 -0.87 -1.26 -4.74 114.94 120.20 1k36 s ASN 11 Ca 0.00 -3.48 0.14 0.00 -1.57 0.00 0.00 52.86 47.96 1k36 s ASN 11 Cb 0.00 -2.02 0.25 0.00 -0.02 0.00 0.00 41.25 39.47 1k36 s ASN 11 CO 0.00 -0.28 1.11 0.61 -2.57 0.00 0.00 177.10 175.97 1k36 n GLY 12 N 2.75 1.34 1.27 0.66 0.00 -1.26 -4.89 105.19 105.06 1k36 n GLY 12 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.19 -3.79 1.61 9.36 -1.26 -5.02 117.16 117.94 1k36 n TYR 13 Ca 0.05 0.03 -0.36 0.00 3.32 0.00 0.00 57.90 60.94 1k36 n TYR 13 Cb 0.91 0.14 -0.13 0.00 -0.63 0.00 0.00 39.34 39.63 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 8.15 0.29 -7.56 0.00 3.38 -1.69 -3.43 115.31 114.45 1k36 h LEU 15 Ca -0.39 -0.81 -0.71 0.00 0.09 0.00 0.00 57.88 56.07 1k36 h LEU 15 Cb 1.17 -0.09 -0.34 0.00 0.09 0.00 0.00 40.66 41.49 1k36 h LEU 15 CO 0.58 1.73 -0.24 -1.00 0.09 0.00 0.00 178.44 179.60 1k36 s HIS 16 N -2.49 3.54 0.00 1.13 3.76 -1.25 -4.93 115.29 115.05 1k36 s HIS 16 Ca -0.24 -2.67 0.00 0.00 -0.15 0.00 0.00 55.06 52.00 1k36 s HIS 16 Cb 0.06 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.45 1k36 s HIS 16 CO 0.71 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 174.17 1k36 n GLY 17 N 3.34 -0.42 3.64 -2.22 0.00 -1.26 0.08 105.19 108.34 1k36 n GLY 17 Ca 0.11 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 1k36 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1k36 s GLN 18 N 0.00 0.75 0.38 1.61 0.00 -0.69 -4.98 119.66 116.73 1k36 s GLN 18 Ca 0.00 1.09 -0.20 0.00 -0.00 0.00 0.00 55.36 56.25 1k36 s GLN 18 Cb 0.00 0.26 -0.10 0.00 0.00 0.00 0.00 33.01 33.17 1k36 s GLN 18 CO 0.00 -0.12 0.89 0.00 0.00 0.00 0.00 175.29 176.06 1k36 n ILE 20 N -0.34 0.00 -3.69 0.00 5.41 0.12 -4.50 119.36 116.36 1k36 n ILE 20 Ca 0.05 -0.23 -0.10 0.00 1.00 0.00 0.00 62.75 63.47 1k36 n ILE 20 Cb 0.53 0.22 -0.11 0.00 -0.71 0.00 0.00 39.64 39.58 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 -7.35 -0.64 0.02 1.39 6.14 0.49 -2.17 117.35 115.22 1k36 s TYR 21 Ca 0.04 1.34 -0.30 0.00 0.64 0.00 0.00 57.07 58.78 1k36 s TYR 21 Cb -0.01 0.28 -0.04 0.00 0.42 0.00 0.00 41.96 42.61 1k36 s TYR 21 CO 0.03 -0.36 1.00 -0.51 0.64 0.00 0.00 175.55 176.35 1k36 s LEU 22 N 1.54 4.38 -0.08 6.97 1.43 -1.02 -1.18 118.68 130.73 1k36 s LEU 22 Ca -0.09 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1k36 s LEU 22 Cb -0.09 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.32 1k36 s LEU 22 CO -0.13 -0.27 0.54 0.55 0.23 0.00 0.00 176.35 177.27 1k36 n VAL 23 N 3.81 1.68 0.22 -1.59 3.14 -0.54 -1.91 118.33 123.14 1k36 n VAL 23 Ca 0.06 -0.74 0.11 0.00 -2.96 0.00 0.00 64.34 60.81 1k36 n VAL 23 Cb 0.50 -1.32 0.24 0.00 -1.06 0.00 0.00 33.84 32.20 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 0.03 0.00 -2.04 6.55 3.04 -1.92 -3.32 116.42 118.75 1k36 h ASP 24 Ca -0.34 0.00 -0.51 0.00 -3.24 0.00 0.00 57.03 52.94 1k36 h ASP 24 Cb 2.02 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.91 1k36 h ASP 24 CO 0.08 0.08 -1.10 0.80 -2.04 0.00 0.00 179.24 177.07 1k36 n MET 25 N -3.13 1.29 -0.71 4.15 1.56 -1.25 -5.02 117.12 114.00 1k36 n MET 25 Ca 0.03 -3.60 -0.13 0.00 -0.27 0.00 0.00 57.70 53.74 1k36 n MET 25 Cb 0.52 -1.73 -0.10 0.00 2.15 0.00 0.00 33.22 34.06 1k36 n MET 25 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1k36 n SER 26 N 0.36 -0.48 -3.63 6.12 2.88 -0.80 -4.51 113.62 113.55 1k36 n SER 26 Ca 0.25 -0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 1k36 n SER 26 Cb 0.60 -0.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.69 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 3.59 0.81 -0.20 -1.46 0.74 -1.23 -4.96 119.66 116.96 1k36 s GLN 27 Ca 0.63 0.84 -0.32 0.00 0.05 0.00 0.00 55.36 56.57 1k36 s GLN 27 Cb -0.46 0.40 -0.09 0.00 1.10 0.00 0.00 33.01 33.96 1k36 s GLN 27 CO 0.26 -0.12 2.09 -1.71 -0.55 0.00 0.00 175.29 175.26 1k36 n ASN 28 N 2.49 3.06 -4.46 6.67 5.15 -1.26 -2.45 115.26 124.46 1k36 n ASN 28 Ca -0.15 0.55 -0.36 0.00 -0.60 0.00 0.00 54.58 54.02 1k36 n ASN 28 Cb 0.56 -1.41 -0.12 0.00 -0.53 0.00 0.00 39.78 38.27 1k36 n ASN 28 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1k36 s TYR 29 N 6.44 3.10 -0.21 1.20 6.14 -0.92 -4.92 117.35 128.17 1k36 s TYR 29 Ca 1.00 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 58.34 1k36 s TYR 29 Cb -0.61 -2.22 0.05 0.00 0.42 0.00 0.00 41.96 39.61 1k36 s TYR 29 CO 0.45 -0.31 -0.05 0.00 0.64 0.00 0.00 175.55 176.28 1k36 s ARG 31 N 1.49 3.30 0.87 0.00 6.06 -0.84 -4.90 118.95 124.93 1k36 s ARG 31 Ca -0.04 -0.28 -0.13 0.00 -2.50 0.00 0.00 55.73 52.78 1k36 s ARG 31 Cb -0.18 -4.10 0.14 0.00 0.06 0.00 0.00 34.95 30.87 1k36 s ARG 31 CO -0.07 -1.68 1.24 0.00 -2.50 0.00 0.00 175.30 172.29 1k36 s GLU 33 N -5.70 4.66 0.38 0.00 2.12 0.11 -4.84 118.70 115.43 1k36 s GLU 33 Ca 0.68 1.45 0.19 0.00 0.36 0.00 0.00 54.97 57.64 1k36 s GLU 33 Cb -0.07 -3.40 0.73 0.00 0.26 0.00 0.00 34.13 31.65 1k36 s GLU 33 CO 0.51 0.14 1.76 0.28 -0.54 0.00 0.00 175.26 177.41 1k36 h VAL 34 N 4.23 0.90 0.00 3.70 2.07 -1.93 -2.68 116.25 122.54 1k36 h VAL 34 Ca -0.42 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1k36 h VAL 34 Cb 1.21 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1k36 h VAL 34 CO 0.73 0.35 0.00 0.61 0.02 0.00 0.00 177.57 179.28 1k36 n GLY 35 N 0.12 -0.73 3.92 2.17 0.00 -1.26 -4.65 105.19 104.76 1k36 n GLY 35 Ca -0.00 0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.23 1.48 -0.26 1.61 1.51 -1.01 -4.63 117.35 112.82 1k36 s TYR 36 Ca -0.00 0.30 0.12 0.00 -1.01 0.00 0.00 57.07 56.48 1k36 s TYR 36 Cb 0.04 -4.13 0.54 0.00 -0.11 0.00 0.00 41.96 38.31 1k36 s TYR 36 CO 0.12 -2.75 1.50 -2.37 -1.11 0.00 0.00 175.55 170.95 1k36 n THR 37 N -3.83 2.52 -3.50 -0.71 5.66 -1.16 -4.84 114.28 108.41 1k36 n THR 37 Ca 0.15 -2.25 -0.13 0.00 -3.05 0.00 0.00 64.05 58.77 1k36 n THR 37 Cb 0.59 -0.31 -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 -2.10 -0.52 -0.18 1.09 0.00 -1.26 -5.02 107.32 99.33 1k36 s GLY 38 Ca 0.45 0.55 -0.03 0.00 0.00 0.00 0.00 44.72 45.69 1k36 s GLY 38 CO 0.05 0.23 2.57 -0.62 0.00 0.00 0.00 173.10 175.33 1k36 n VAL 39 N -0.01 2.72 -2.00 1.40 0.31 -1.26 -3.49 118.33 116.00 1k36 n VAL 39 Ca -0.17 -1.55 -0.00 0.00 -0.01 0.00 0.00 64.34 62.60 1k36 n VAL 39 Cb 0.63 -1.60 -0.00 0.00 -0.91 0.00 0.00 33.84 31.96 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 1.32 0.00 -1.62 5.55 0.63 -1.26 -4.87 116.66 116.40 1k36 n ARG 40 Ca 0.28 -0.14 -0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1k36 n ARG 40 Cb 0.64 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.48 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 0.80 0.00 -4.27 0.00 0.00 -1.26 -2.93 120.64 112.98 1k36 n GLU 42 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.83 1k36 n GLU 42 Cb 0.21 -0.16 -0.16 0.00 0.00 0.00 0.00 31.44 31.33 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 -1.00 2.76 -0.24 4.31 -3.43 -1.26 -5.09 115.29 111.34 1k36 s HIS 43 Ca 0.00 -1.52 -0.25 0.00 -0.80 0.00 0.00 55.06 52.49 1k36 s HIS 43 Cb 0.00 -1.90 -0.01 0.00 -1.43 0.00 0.00 32.58 29.25 1k36 s HIS 43 CO 0.00 -0.74 0.83 0.12 -2.00 0.00 0.00 174.74 172.95 1k36 s PHE 44 N 1.15 3.31 -0.85 0.38 5.36 -1.26 -3.00 117.98 123.08 1k36 s PHE 44 Ca 0.01 1.14 0.25 0.00 -0.96 0.00 0.00 56.93 57.38 1k36 s PHE 44 Cb -0.14 -3.05 0.58 0.00 -0.34 0.00 0.00 43.02 40.08 1k36 s PHE 44 CO -0.09 -0.39 1.49 0.34 -1.46 0.00 0.00 175.22 175.10 1k36 n PHE 45 N 5.97 0.27 0.88 10.12 7.35 -1.26 -4.94 117.46 135.85 1k36 n PHE 45 Ca 0.05 0.08 0.11 0.00 -0.76 0.00 0.00 57.45 56.93 1k36 n PHE 45 Cb 0.48 -0.49 0.09 0.00 0.35 0.00 0.00 39.48 39.90 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28