#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 1.57 -4.91 6.55 7.64 -1.26 -5.11 113.62 118.10 1k36 n SER 2 Ca 0.00 -2.72 -0.28 0.00 1.01 0.00 0.00 58.87 56.88 1k36 n SER 2 Cb 0.00 -0.53 0.05 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.24 3.10 0.15 0.44 2.07 -1.26 -4.17 121.20 118.29 1k36 s ILE 3 Ca 0.28 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.61 1k36 s ILE 3 Cb 0.45 -3.31 -0.04 0.00 0.13 0.00 0.00 42.46 39.69 1k36 s ILE 3 CO 0.03 -0.36 0.04 -0.89 -1.91 0.00 0.00 174.94 171.85 1k36 s THR 4 N -3.23 0.31 0.29 4.00 2.01 -0.69 -4.86 115.64 113.47 1k36 s THR 4 Ca 0.58 -1.94 -0.05 0.00 0.31 0.00 0.00 61.69 60.58 1k36 s THR 4 Cb -0.11 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1k36 s THR 4 CO 0.48 -0.43 0.57 -0.75 -0.69 0.00 0.00 174.62 173.79 1k36 s LYS 5 N -4.01 3.65 0.00 4.92 2.20 -1.26 0.18 119.74 125.42 1k36 s LYS 5 Ca 0.25 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 1k36 s LYS 5 Cb 0.07 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.76 1k36 s LYS 5 CO 0.04 0.21 0.00 0.00 -0.36 0.00 0.00 175.35 175.23 1k36 n SER 7 N 0.00 0.00 -4.88 0.00 3.41 -1.26 -5.07 113.62 105.82 1k36 n SER 7 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1k36 n SER 7 Cb 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1k36 n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k36 s SER 8 N 1.97 5.05 -1.19 4.04 0.15 -1.26 -3.54 113.70 118.92 1k36 s SER 8 Ca 0.00 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.67 1k36 s SER 8 Cb 0.00 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 1k36 s SER 8 CO 0.00 -1.58 0.00 0.47 1.20 0.00 0.00 173.24 173.33 1k36 n ASP 9 N -3.15 -3.06 -0.12 5.45 8.00 -1.26 -4.68 116.55 117.74 1k36 n ASP 9 Ca 0.07 0.28 0.02 0.00 0.71 0.00 0.00 54.79 55.87 1k36 n ASP 9 Cb 0.58 -2.90 0.03 0.00 -0.02 0.00 0.00 41.12 38.82 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 10 N -1.84 1.14 0.00 -1.24 1.56 -1.23 -5.06 117.12 110.45 1k36 n MET 10 Ca -0.12 -1.33 0.00 0.00 -0.27 0.00 0.00 57.70 55.98 1k36 n MET 10 Cb 0.39 -0.86 0.00 0.00 2.15 0.00 0.00 33.22 34.91 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 -0.45 0.00 -0.43 6.12 4.13 -1.26 -4.81 115.26 118.56 1k36 n ASN 11 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1k36 n ASN 11 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k36 n GLY 12 N 5.00 0.50 1.95 7.41 0.00 -1.26 -5.00 105.19 113.78 1k36 n GLY 12 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.47 -1.82 -3.08 1.61 9.36 -1.26 -5.09 117.16 116.40 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 0.22 0.49 -0.05 0.00 -0.63 0.00 0.00 39.34 39.37 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 4.58 1.94 -4.13 0.00 4.77 -1.10 -4.59 117.00 118.48 1k36 n LEU 15 Ca -0.01 0.40 -0.40 0.00 -0.03 0.00 0.00 56.01 55.97 1k36 n LEU 15 Cb 0.50 -0.98 -0.02 0.00 -2.33 0.00 0.00 43.42 40.59 1k36 n LEU 15 CO 0.45 0.34 0.67 1.41 -1.33 0.00 0.00 177.39 178.94 1k36 n HIS 16 N -4.34 4.18 -4.00 -1.77 8.25 -1.23 -4.97 115.22 111.35 1k36 n HIS 16 Ca -0.33 -3.72 0.03 0.00 -0.26 0.00 0.00 57.72 53.44 1k36 n HIS 16 Cb 0.72 -1.35 0.01 0.00 1.12 0.00 0.00 29.99 30.50 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 2.13 0.25 3.64 -1.41 0.00 -1.26 0.89 105.19 109.43 1k36 n GLY 17 Ca 0.24 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.01 2.86 0.39 1.61 1.11 -0.62 -4.92 119.66 118.07 1k36 s GLN 18 Ca 0.27 -0.49 -0.23 0.00 0.01 0.00 0.00 55.36 54.92 1k36 s GLN 18 Cb -0.01 -2.69 -0.10 0.00 -1.01 0.00 0.00 33.01 29.20 1k36 s GLN 18 CO -0.01 0.68 0.95 0.00 0.01 0.00 0.00 175.29 176.93 1k36 n ILE 20 N -0.16 0.00 -3.71 0.00 5.41 -0.59 -4.24 119.36 116.07 1k36 n ILE 20 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.68 1k36 n ILE 20 Cb 0.52 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.33 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 -6.98 -0.42 -0.01 1.39 6.14 0.47 -2.09 117.35 115.86 1k36 s TYR 21 Ca 0.00 0.95 -0.26 0.00 0.64 0.00 0.00 57.07 58.40 1k36 s TYR 21 Cb 0.00 0.09 -0.04 0.00 0.42 0.00 0.00 41.96 42.43 1k36 s TYR 21 CO 0.00 -0.28 0.80 -0.51 0.64 0.00 0.00 175.55 176.19 1k36 s LEU 22 N 1.49 4.38 -0.01 6.97 2.01 -1.05 -1.71 118.68 130.76 1k36 s LEU 22 Ca -0.08 1.41 0.14 0.00 0.01 0.00 0.00 54.13 55.62 1k36 s LEU 22 Cb -0.10 -3.27 -0.20 0.00 0.01 0.00 0.00 46.19 42.64 1k36 s LEU 22 CO -0.10 -0.10 0.71 0.55 1.01 0.00 0.00 176.35 178.42 1k36 n VAL 23 N 3.42 1.43 0.56 -1.59 3.14 -1.26 -2.47 118.33 121.57 1k36 n VAL 23 Ca 0.00 -0.76 0.13 0.00 -2.96 0.00 0.00 64.34 60.75 1k36 n VAL 23 Cb 0.51 -0.90 0.40 0.00 -1.06 0.00 0.00 33.84 32.79 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 -1.55 6.55 3.04 -1.92 -3.33 116.42 119.20 1k36 h ASP 24 Ca -0.24 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.09 1k36 h ASP 24 Cb 1.85 0.00 -0.34 0.00 -1.04 0.00 0.00 39.33 39.80 1k36 h ASP 24 CO 0.06 0.00 -1.00 0.23 -2.04 0.00 0.00 179.24 176.50 1k36 n MET 25 N -2.34 0.84 -0.67 4.15 2.81 -1.25 -5.06 117.12 115.60 1k36 n MET 25 Ca 0.05 -2.96 -0.09 0.00 -1.81 0.00 0.00 57.70 52.88 1k36 n MET 25 Cb 0.41 -1.40 -0.10 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.94 -0.69 -3.85 7.83 3.41 -1.03 -4.59 113.62 115.64 1k36 n SER 26 Ca 0.19 -0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.45 1k36 n SER 26 Cb 0.60 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 1k36 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k36 s GLN 27 N 3.14 1.67 -0.08 4.33 -2.07 -1.22 -4.99 119.66 120.43 1k36 s GLN 27 Ca 0.57 -1.00 -0.30 0.00 -1.82 0.00 0.00 55.36 52.81 1k36 s GLN 27 Cb -0.36 0.57 -0.02 0.00 -1.09 0.00 0.00 33.01 32.10 1k36 s GLN 27 CO 0.24 -0.74 1.13 -0.80 -1.32 0.00 0.00 175.29 173.80 1k36 s ASN 28 N -2.93 7.12 0.24 12.60 -0.87 -1.26 -2.54 114.94 127.30 1k36 s ASN 28 Ca 0.13 1.69 0.08 0.00 -1.57 0.00 0.00 52.86 53.19 1k36 s ASN 28 Cb -0.04 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1k36 s ASN 28 CO 0.05 -0.54 0.04 -0.47 -2.57 0.00 0.00 177.10 173.61 1k36 s TYR 29 N 2.22 2.83 -0.29 2.20 6.14 -0.89 -4.89 117.35 124.67 1k36 s TYR 29 Ca 0.53 -0.17 -0.00 0.00 0.64 0.00 0.00 57.07 58.06 1k36 s TYR 29 Cb -0.22 -1.29 0.18 0.00 0.42 0.00 0.00 41.96 41.05 1k36 s TYR 29 CO 0.20 0.57 0.55 0.00 0.64 0.00 0.00 175.55 177.51 1k36 s ARG 31 N 2.79 3.96 0.92 0.00 6.06 -0.87 -4.90 118.95 126.90 1k36 s ARG 31 Ca 0.18 0.86 -0.15 0.00 -2.50 0.00 0.00 55.73 54.12 1k36 s ARG 31 Cb -0.14 -3.78 0.16 0.00 0.06 0.00 0.00 34.95 31.25 1k36 s ARG 31 CO -0.21 -0.97 1.26 0.00 -2.50 0.00 0.00 175.30 172.88 1k36 s GLU 33 N -5.75 4.14 -0.75 0.00 2.12 0.26 -4.80 118.70 113.92 1k36 s GLU 33 Ca 0.70 1.23 -0.28 0.00 0.36 0.00 0.00 54.97 56.97 1k36 s GLU 33 Cb -0.07 -3.71 -0.15 0.00 0.26 0.00 0.00 34.13 30.47 1k36 s GLU 33 CO 0.52 -0.80 2.56 0.28 -0.54 0.00 0.00 175.26 177.28 1k36 n VAL 34 N 5.65 -0.04 0.00 3.70 0.31 -1.26 -2.05 118.33 124.63 1k36 n VAL 34 Ca 0.12 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1k36 n VAL 34 Cb 0.46 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 6.25 0.32 3.90 2.92 0.00 -1.26 -5.15 105.19 112.18 1k36 n GLY 35 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 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 2.41 -0.31 1.61 2.02 -0.87 -4.64 117.35 117.57 1k36 s TYR 36 Ca 0.00 0.60 0.08 0.00 -0.37 0.00 0.00 57.07 57.38 1k36 s TYR 36 Cb 0.00 -3.71 0.50 0.00 -0.40 0.00 0.00 41.96 38.35 1k36 s TYR 36 CO 0.00 -2.15 1.46 -2.37 -1.57 0.00 0.00 175.55 170.92 1k36 n THR 37 N -3.52 2.60 -3.55 -0.71 5.66 -1.17 -4.86 114.28 108.72 1k36 n THR 37 Ca 0.11 -2.95 -0.10 0.00 -3.05 0.00 0.00 64.05 58.05 1k36 n THR 37 Cb 0.60 -0.44 -0.02 0.00 -1.55 0.00 0.00 70.33 68.92 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 -2.65 -0.46 -0.02 1.09 0.00 -1.26 -4.99 107.32 99.02 1k36 s GLY 38 Ca 0.46 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.50 1k36 s GLY 38 CO -0.00 0.09 0.96 3.33 0.00 0.00 0.00 173.10 177.48 1k36 n VAL 39 N -0.40 0.40 -1.26 1.40 0.24 -1.26 -3.33 118.33 114.11 1k36 n VAL 39 Ca -0.13 -0.26 0.05 0.00 -2.04 0.00 0.00 64.34 61.96 1k36 n VAL 39 Cb 0.63 -0.16 0.07 0.00 -1.47 0.00 0.00 33.84 32.91 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1k36 n ARG 40 N 0.05 0.94 -1.45 7.34 0.63 -1.26 -4.83 116.66 118.08 1k36 n ARG 40 Ca 0.06 -1.77 0.00 0.00 -0.92 0.00 0.00 57.85 55.21 1k36 n ARG 40 Cb 0.29 -1.03 0.00 0.00 0.45 0.00 0.00 32.46 32.17 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 0.87 0.00 -4.70 0.00 0.00 -1.26 -2.69 120.64 112.86 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 0.16 -0.09 -0.15 0.00 0.00 0.00 0.00 31.44 31.37 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 2.80 -0.13 4.31 -3.43 -1.26 -5.09 115.29 111.48 1k36 s HIS 43 Ca 0.00 -0.77 -0.23 0.00 -0.80 0.00 0.00 55.06 53.25 1k36 s HIS 43 Cb 0.00 -1.86 -0.03 0.00 -1.43 0.00 0.00 32.58 29.26 1k36 s HIS 43 CO 0.00 -0.30 0.72 0.12 -2.00 0.00 0.00 174.74 173.28 1k36 s PHE 44 N 0.51 3.48 -1.70 0.38 5.36 -1.26 -3.03 117.98 121.72 1k36 s PHE 44 Ca -0.09 1.16 0.05 0.00 -0.96 0.00 0.00 56.93 57.10 1k36 s PHE 44 Cb -0.16 -2.87 0.19 0.00 -0.34 0.00 0.00 43.02 39.84 1k36 s PHE 44 CO 0.04 -0.08 1.07 0.34 -1.46 0.00 0.00 175.22 175.13 1k36 n PHE 45 N 4.56 0.34 -0.43 10.12 7.35 -1.26 -4.94 117.46 133.19 1k36 n PHE 45 Ca 0.00 -0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1k36 n PHE 45 Cb 0.50 -0.05 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28