#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 5.51 0.21 6.55 0.15 -1.26 -5.07 113.70 119.79 1k36 s SER 2 Ca 0.00 -1.90 0.11 0.00 0.70 0.00 0.00 55.95 54.86 1k36 s SER 2 Cb 0.00 -1.93 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 1k36 s SER 2 CO 0.00 -0.61 -0.21 -0.51 1.20 0.00 0.00 173.24 173.10 1k36 s ILE 3 N 1.28 2.24 0.00 6.45 2.07 -1.26 -2.85 121.20 129.13 1k36 s ILE 3 Ca 0.06 -2.12 0.00 0.00 -1.41 0.00 0.00 60.65 57.18 1k36 s ILE 3 Cb -0.24 -2.11 0.00 0.00 0.13 0.00 0.00 42.46 40.24 1k36 s ILE 3 CO -0.02 -0.26 0.00 1.07 -1.91 0.00 0.00 174.94 173.82 1k36 n THR 4 N -0.00 0.00 -4.26 4.00 5.66 -1.13 -4.90 114.28 113.65 1k36 n THR 4 Ca -0.10 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.74 1k36 n THR 4 Cb 0.58 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.33 1k36 n THR 4 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1k36 n LYS 5 N 0.00 1.33 0.00 1.09 5.02 -1.26 -1.66 118.16 122.68 1k36 n LYS 5 Ca 0.00 -1.83 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 1k36 n LYS 5 Cb 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 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 1.92 -1.03 0.00 7.64 -1.26 -5.01 113.62 115.88 1k36 n SER 7 Ca 0.00 -1.16 0.05 0.00 1.01 0.00 0.00 58.87 58.77 1k36 n SER 7 Cb 0.00 0.02 0.20 0.00 -1.01 0.00 0.00 64.21 63.42 1k36 n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1k36 n SER 8 N -1.20 2.95 -1.19 6.43 7.64 -1.26 -3.92 113.62 123.06 1k36 n SER 8 Ca -0.01 -2.28 0.03 0.00 1.01 0.00 0.00 58.87 57.61 1k36 n SER 8 Cb 0.05 -0.45 0.11 0.00 -1.01 0.00 0.00 64.21 62.91 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 0.49 1.67 -0.50 6.43 9.92 -1.26 -4.73 116.55 128.57 1k36 n ASP 9 Ca 0.14 -3.05 -0.00 0.00 -0.53 0.00 0.00 54.79 51.35 1k36 n ASP 9 Cb 0.58 -0.42 -0.00 0.00 -0.64 0.00 0.00 41.12 40.63 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 -0.43 0.00 -3.22 -1.24 1.56 -1.25 -4.99 117.12 107.55 1k36 n MET 10 Ca 0.15 -0.59 -0.42 0.00 -0.27 0.00 0.00 57.70 56.56 1k36 n MET 10 Cb 0.89 -0.29 -0.00 0.00 2.15 0.00 0.00 33.22 35.97 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 0.00 5.75 -0.47 6.12 5.15 -1.26 -4.62 115.26 125.93 1k36 n ASN 11 Ca -0.00 -3.24 0.02 0.00 -0.60 0.00 0.00 54.58 50.76 1k36 n ASN 11 Cb 0.62 -1.27 0.03 0.00 -0.53 0.00 0.00 39.78 38.63 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1k36 n GLY 12 N 1.93 1.37 1.02 8.20 0.00 -1.26 -4.90 105.19 111.56 1k36 n GLY 12 Ca 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.25 0.00 -3.48 1.61 9.36 -1.26 -5.00 117.16 118.14 1k36 n TYR 13 Ca 0.03 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.87 1k36 n TYR 13 Cb 0.71 -0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 39.31 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 4.96 2.22 -4.03 0.00 4.77 -1.04 -4.60 117.00 119.28 1k36 n LEU 15 Ca -0.11 0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 1k36 n LEU 15 Cb 0.51 -1.02 -0.05 0.00 -2.33 0.00 0.00 43.42 40.53 1k36 n LEU 15 CO 0.36 0.55 0.50 1.41 -1.33 0.00 0.00 177.39 178.89 1k36 n HIS 16 N -4.00 3.95 -3.02 -1.77 8.25 -1.23 -4.98 115.22 112.42 1k36 n HIS 16 Ca -0.34 -3.85 0.00 0.00 -0.26 0.00 0.00 57.72 53.28 1k36 n HIS 16 Cb 0.85 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 1.98 1.30 3.20 -1.41 0.00 -1.26 -1.55 105.19 107.44 1k36 n GLY 17 Ca 0.24 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.08 2.11 0.33 1.61 -0.21 -0.80 -4.96 119.66 117.66 1k36 s GLN 18 Ca 0.00 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.38 1k36 s GLN 18 Cb 0.00 -1.82 -0.10 0.00 1.00 0.00 0.00 33.01 32.09 1k36 s GLN 18 CO 0.00 0.31 0.95 0.00 -2.12 0.00 0.00 175.29 174.43 1k36 n ILE 20 N 0.43 0.00 -3.73 0.00 5.41 0.13 -4.46 119.36 117.14 1k36 n ILE 20 Ca 0.02 -1.12 -0.14 0.00 1.00 0.00 0.00 62.75 62.52 1k36 n ILE 20 Cb 0.50 1.01 -0.14 0.00 -0.71 0.00 0.00 39.64 40.30 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 -2.29 -0.21 -0.04 1.39 6.14 -0.67 -1.54 117.35 120.14 1k36 s TYR 21 Ca 0.18 0.57 -0.25 0.00 0.64 0.00 0.00 57.07 58.22 1k36 s TYR 21 Cb -0.04 -0.08 -0.04 0.00 0.42 0.00 0.00 41.96 42.22 1k36 s TYR 21 CO 0.13 -0.20 0.76 -0.51 0.64 0.00 0.00 175.55 176.37 1k36 s LEU 22 N 1.36 4.34 0.05 6.97 2.01 -1.08 -2.84 118.68 129.49 1k36 s LEU 22 Ca -0.08 1.31 0.17 0.00 0.01 0.00 0.00 54.13 55.54 1k36 s LEU 22 Cb -0.11 -3.19 -0.15 0.00 0.01 0.00 0.00 46.19 42.75 1k36 s LEU 22 CO -0.07 -0.12 0.78 0.55 1.01 0.00 0.00 176.35 178.50 1k36 n VAL 23 N 3.66 1.16 1.48 -1.59 3.14 -1.13 -2.72 118.33 122.34 1k36 n VAL 23 Ca -0.00 -0.69 0.14 0.00 -2.96 0.00 0.00 64.34 60.83 1k36 n VAL 23 Cb 0.51 -0.71 0.75 0.00 -1.06 0.00 0.00 33.84 33.34 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1k36 n ASP 24 N -2.86 0.00 -2.75 6.55 2.03 -1.26 -4.00 116.55 114.26 1k36 n ASP 24 Ca -0.10 -0.40 -0.08 0.00 0.52 0.00 0.00 54.79 54.73 1k36 n ASP 24 Cb 0.84 -0.18 0.06 0.00 -0.72 0.00 0.00 41.12 41.12 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k36 n MET 25 N -1.18 0.82 -0.72 -0.67 1.56 -1.24 -5.07 117.12 110.61 1k36 n MET 25 Ca 0.16 -1.78 -0.12 0.00 -0.27 0.00 0.00 57.70 55.69 1k36 n MET 25 Cb 0.17 -1.40 -0.10 0.00 2.15 0.00 0.00 33.22 34.04 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 1.44 -0.56 -3.54 6.12 2.88 -1.10 -4.63 113.62 114.22 1k36 n SER 26 Ca 0.09 -0.20 -0.17 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 26 Cb 0.64 -0.29 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 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 3.52 1.01 0.15 -1.46 0.74 -1.23 -5.01 119.66 117.38 1k36 s GLN 27 Ca 0.64 0.41 -0.31 0.00 0.05 0.00 0.00 55.36 56.14 1k36 s GLN 27 Cb -0.44 0.48 -0.10 0.00 1.10 0.00 0.00 33.01 34.04 1k36 s GLN 27 CO 0.27 -0.28 1.64 1.21 -0.55 0.00 0.00 175.29 177.57 1k36 s ASN 28 N -0.87 6.53 -0.19 6.67 2.47 -1.26 -2.64 114.94 125.65 1k36 s ASN 28 Ca -0.09 2.66 0.01 0.00 0.42 0.00 0.00 52.86 55.86 1k36 s ASN 28 Cb -0.01 -2.59 0.03 0.00 -1.45 0.00 0.00 41.25 37.24 1k36 s ASN 28 CO 0.08 -0.88 -0.14 -0.47 -3.72 0.00 0.00 177.10 171.97 1k36 s TYR 29 N 1.56 2.64 -0.23 0.43 6.14 -0.59 -4.89 117.35 122.42 1k36 s TYR 29 Ca 0.73 -1.67 0.02 0.00 0.64 0.00 0.00 57.07 56.78 1k36 s TYR 29 Cb -0.44 -1.78 0.05 0.00 0.42 0.00 0.00 41.96 40.21 1k36 s TYR 29 CO 0.32 -0.78 -0.11 0.00 0.64 0.00 0.00 175.55 175.63 1k36 s ARG 31 N 1.28 3.30 0.83 0.00 6.06 -0.81 -4.87 118.95 124.73 1k36 s ARG 31 Ca -0.04 -0.08 -0.12 0.00 -2.50 0.00 0.00 55.73 52.98 1k36 s ARG 31 Cb -0.18 -4.13 0.09 0.00 0.06 0.00 0.00 34.95 30.80 1k36 s ARG 31 CO -0.07 -1.99 1.18 0.00 -2.50 0.00 0.00 175.30 171.92 1k36 s GLU 33 N -5.57 4.42 0.58 0.00 2.12 -0.59 -4.90 118.70 114.75 1k36 s GLU 33 Ca 0.63 1.43 0.36 0.00 0.36 0.00 0.00 54.97 57.75 1k36 s GLU 33 Cb -0.11 -3.54 1.70 0.00 0.26 0.00 0.00 34.13 32.44 1k36 s GLU 33 CO 0.50 -0.33 2.11 0.28 -0.54 0.00 0.00 175.26 177.28 1k36 h VAL 34 N 5.08 0.09 0.00 3.70 2.07 -1.93 -1.87 116.25 123.39 1k36 h VAL 34 Ca -0.31 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1k36 h VAL 34 Cb 1.15 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1k36 h VAL 34 CO 0.86 0.02 0.00 0.61 0.02 0.00 0.00 177.57 179.08 1k36 n GLY 35 N -0.40 -0.89 3.92 2.17 0.00 -1.26 -4.71 105.19 104.03 1k36 n GLY 35 Ca -0.01 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.05 1.83 -0.31 1.61 1.51 -0.71 -4.66 117.35 113.57 1k36 s TYR 36 Ca 0.05 0.40 0.09 0.00 -1.01 0.00 0.00 57.07 56.60 1k36 s TYR 36 Cb 0.07 -4.00 0.57 0.00 -0.11 0.00 0.00 41.96 38.49 1k36 s TYR 36 CO 0.20 -2.52 1.59 -2.37 -1.11 0.00 0.00 175.55 171.34 1k36 n THR 37 N -3.71 2.68 -3.48 -0.71 5.66 -1.17 -4.86 114.28 108.70 1k36 n THR 37 Ca 0.14 -2.32 -0.14 0.00 -3.05 0.00 0.00 64.05 58.68 1k36 n THR 37 Cb 0.60 -0.34 -0.04 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 -2.02 -0.57 -0.17 1.09 0.00 -1.26 -5.01 107.32 99.37 1k36 s GLY 38 Ca 0.48 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 45.97 1k36 s GLY 38 CO 0.05 0.46 2.48 1.55 0.00 0.00 0.00 173.10 177.64 1k36 n VAL 39 N 0.21 2.67 -2.00 1.40 3.14 -1.26 -3.49 118.33 118.99 1k36 n VAL 39 Ca -0.18 -1.48 -0.00 0.00 -2.96 0.00 0.00 64.34 59.72 1k36 n VAL 39 Cb 0.61 -1.57 -0.00 0.00 -1.06 0.00 0.00 33.84 31.82 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 1.27 0.00 -1.69 1.45 0.63 -1.26 -4.95 116.66 112.10 1k36 n ARG 40 Ca 0.26 -0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1k36 n ARG 40 Cb 0.62 -0.07 0.00 0.00 0.45 0.00 0.00 32.46 33.46 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 0.98 0.00 -4.21 0.00 2.13 -1.26 -2.51 120.64 115.78 1k36 n GLU 42 Ca 0.00 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.50 1k36 n GLU 42 Cb 0.20 -0.11 -0.16 0.00 0.27 0.00 0.00 31.44 31.63 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1k36 s HIS 43 N -1.00 2.60 -0.20 4.31 -3.43 -1.26 -5.07 115.29 111.24 1k36 s HIS 43 Ca 0.00 -1.48 -0.26 0.00 -0.80 0.00 0.00 55.06 52.52 1k36 s HIS 43 Cb 0.00 -1.82 -0.01 0.00 -1.43 0.00 0.00 32.58 29.33 1k36 s HIS 43 CO 0.00 -0.74 0.86 0.12 -2.00 0.00 0.00 174.74 172.99 1k36 s PHE 44 N 1.24 3.37 -0.20 0.38 5.36 -1.26 -3.04 117.98 123.83 1k36 s PHE 44 Ca 0.02 1.25 0.22 0.00 -0.96 0.00 0.00 56.93 57.47 1k36 s PHE 44 Cb -0.13 -3.07 -0.07 0.00 -0.34 0.00 0.00 43.02 39.41 1k36 s PHE 44 CO -0.10 -0.33 0.93 0.34 -1.46 0.00 0.00 175.22 174.60 1k36 n PHE 45 N 5.64 0.75 1.32 10.12 7.35 -1.26 -4.94 117.46 136.43 1k36 n PHE 45 Ca 0.06 0.22 0.13 0.00 -0.76 0.00 0.00 57.45 57.10 1k36 n PHE 45 Cb 0.48 -0.85 0.37 0.00 0.35 0.00 0.00 39.48 39.83 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28