#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 5.66 0.18 -1.34 0.15 -1.26 -5.06 113.70 112.02 1k36 s SER 2 Ca 0.00 -1.70 0.03 0.00 0.70 0.00 0.00 55.95 54.99 1k36 s SER 2 Cb 0.00 -1.99 -0.03 0.00 -1.71 0.00 0.00 66.02 62.28 1k36 s SER 2 CO 0.00 -0.61 0.31 -0.51 1.20 0.00 0.00 173.24 173.63 1k36 s ILE 3 N 1.39 5.30 0.18 6.45 1.10 -1.26 -3.22 121.20 131.14 1k36 s ILE 3 Ca 0.04 -0.79 0.00 0.00 -0.51 0.00 0.00 60.65 59.40 1k36 s ILE 3 Cb -0.24 -3.78 -0.04 0.00 0.15 0.00 0.00 42.46 38.54 1k36 s ILE 3 CO 0.01 -0.17 0.06 -0.89 -2.11 0.00 0.00 174.94 171.83 1k36 s THR 4 N -1.82 0.36 0.19 4.00 2.01 -1.13 -4.91 115.64 114.33 1k36 s THR 4 Ca 0.34 -1.96 0.06 0.00 0.31 0.00 0.00 61.69 60.44 1k36 s THR 4 Cb -0.10 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1k36 s THR 4 CO 0.29 -0.30 0.13 -0.54 -0.69 0.00 0.00 174.62 173.50 1k36 s LYS 5 N -4.02 2.82 0.00 4.92 1.02 -1.26 -0.58 119.74 122.64 1k36 s LYS 5 Ca 0.29 -0.96 0.00 0.00 0.02 0.00 0.00 55.97 55.33 1k36 s LYS 5 Cb 0.07 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1k36 s LYS 5 CO 0.06 0.46 0.00 0.00 -0.92 0.00 0.00 175.35 174.95 1k36 n SER 7 N -0.24 0.79 -4.79 0.00 2.88 -1.26 -5.11 113.62 105.89 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 7 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1k36 n SER 7 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1k36 s SER 8 N 1.00 4.31 -0.67 -3.46 0.01 -1.26 -3.69 113.70 109.94 1k36 s SER 8 Ca 0.00 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1k36 s SER 8 Cb 0.00 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.12 1k36 s SER 8 CO 0.00 -2.02 0.00 0.47 0.41 0.00 0.00 173.24 172.10 1k36 n ASP 9 N -3.36 -2.13 0.00 2.44 9.92 -1.26 -4.66 116.55 117.50 1k36 n ASP 9 Ca 0.09 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1k36 n ASP 9 Cb 0.61 -2.07 0.00 0.00 -0.64 0.00 0.00 41.12 39.02 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 -1.94 1.56 -3.83 -1.24 1.56 -1.24 -4.94 117.12 107.04 1k36 n MET 10 Ca -0.07 -1.05 -0.34 0.00 -0.27 0.00 0.00 57.70 55.97 1k36 n MET 10 Cb 0.36 -0.87 -0.12 0.00 2.15 0.00 0.00 33.22 34.74 1k36 n MET 10 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1k36 s ASN 11 N -0.58 5.04 -0.25 6.12 3.04 -1.26 -4.88 114.94 122.17 1k36 s ASN 11 Ca 0.00 -2.35 0.21 0.00 0.04 0.00 0.00 52.86 50.76 1k36 s ASN 11 Cb 0.00 -1.77 0.48 0.00 -1.54 0.00 0.00 41.25 38.42 1k36 s ASN 11 CO 0.00 -0.44 1.18 0.61 -3.04 0.00 0.00 177.10 175.42 1k36 n GLY 12 N 4.11 1.76 2.01 1.21 0.00 -1.26 -4.92 105.19 108.09 1k36 n GLY 12 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.68 -1.18 -3.59 1.61 9.36 -1.26 -5.06 117.16 116.37 1k36 n TYR 13 Ca 0.02 0.21 -0.39 0.00 3.32 0.00 0.00 57.90 61.06 1k36 n TYR 13 Cb 0.83 0.68 -0.11 0.00 -0.63 0.00 0.00 39.34 40.11 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 5.06 2.41 -4.16 0.00 4.77 -0.85 -4.63 117.00 119.59 1k36 n LEU 15 Ca -0.14 0.27 -0.39 0.00 -0.03 0.00 0.00 56.01 55.72 1k36 n LEU 15 Cb 0.51 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.47 1k36 n LEU 15 CO 0.34 0.69 0.37 -1.00 -1.33 0.00 0.00 177.39 176.45 1k36 s HIS 16 N -2.50 3.85 0.00 -1.77 3.76 -1.20 -4.94 115.29 112.49 1k36 s HIS 16 Ca -0.25 -2.82 0.00 0.00 -0.15 0.00 0.00 55.06 51.84 1k36 s HIS 16 Cb 0.07 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.37 1k36 s HIS 16 CO 0.71 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1k36 n GLY 17 N 2.76 -0.78 3.60 -2.22 0.00 -1.26 -0.12 105.19 107.17 1k36 n GLY 17 Ca 0.19 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.03 0.88 0.08 1.61 -2.07 -0.83 -4.98 119.66 114.33 1k36 s GLN 18 Ca 0.00 0.80 -0.26 0.00 -1.82 0.00 0.00 55.36 54.07 1k36 s GLN 18 Cb 0.00 0.43 -0.06 0.00 -1.09 0.00 0.00 33.01 32.29 1k36 s GLN 18 CO 0.00 -0.16 0.82 0.00 -1.32 0.00 0.00 175.29 174.63 1k36 s ILE 20 N -0.23 0.00 -0.01 0.00 -1.09 0.10 -4.40 121.20 115.58 1k36 s ILE 20 Ca 0.40 -1.84 0.03 0.00 -2.23 0.00 0.00 60.65 57.02 1k36 s ILE 20 Cb -0.22 -2.40 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 1k36 s ILE 20 CO 0.25 -0.02 -0.11 -0.47 -1.23 0.00 0.00 174.94 173.36 1k36 s TYR 21 N -4.12 1.00 -0.12 3.97 6.14 0.26 0.17 117.35 124.65 1k36 s TYR 21 Ca 0.34 -0.19 -0.05 0.00 0.64 0.00 0.00 57.07 57.80 1k36 s TYR 21 Cb 0.05 -0.64 -0.04 0.00 0.42 0.00 0.00 41.96 41.75 1k36 s TYR 21 CO 0.11 -0.02 0.09 -0.51 0.64 0.00 0.00 175.55 175.86 1k36 s LEU 22 N -0.29 4.06 -0.00 6.97 2.01 -1.07 -2.86 118.68 127.49 1k36 s LEU 22 Ca 0.04 0.32 0.14 0.00 0.01 0.00 0.00 54.13 54.64 1k36 s LEU 22 Cb -0.04 -1.98 -0.19 0.00 0.01 0.00 0.00 46.19 43.98 1k36 s LEU 22 CO -0.00 0.37 0.71 0.55 1.01 0.00 0.00 176.35 178.99 1k36 n VAL 23 N 2.25 1.43 0.38 -1.59 3.14 -1.20 -2.51 118.33 120.23 1k36 n VAL 23 Ca -0.19 -0.75 0.13 0.00 -2.96 0.00 0.00 64.34 60.56 1k36 n VAL 23 Cb 0.54 -0.91 0.33 0.00 -1.06 0.00 0.00 33.84 32.75 1k36 n VAL 23 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1k36 h ASP 24 N 0.00 0.00 -2.01 6.55 3.58 -1.94 -3.32 116.42 119.28 1k36 h ASP 24 Ca -0.24 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.70 1k36 h ASP 24 Cb 1.84 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 42.50 1k36 h ASP 24 CO 0.06 0.00 -1.16 0.23 -2.88 0.00 0.00 179.24 175.49 1k36 n MET 25 N -2.75 0.94 -0.59 0.28 2.81 -1.25 -5.05 117.12 111.52 1k36 n MET 25 Ca 0.04 -3.37 -0.06 0.00 -1.81 0.00 0.00 57.70 52.51 1k36 n MET 25 Cb 0.45 -1.59 -0.06 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 0.58 -0.79 -2.38 7.83 3.41 -1.05 -4.55 113.62 116.68 1k36 n SER 26 Ca 0.24 -0.43 -0.06 0.00 -0.26 0.00 0.00 58.87 58.36 1k36 n SER 26 Cb 0.62 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1k36 n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k36 n GLN 27 N 2.33 0.78 -2.06 4.33 10.64 -1.23 -4.99 117.38 127.17 1k36 n GLN 27 Ca 0.17 -1.55 -0.29 0.00 -1.83 0.00 0.00 57.00 53.50 1k36 n GLN 27 Cb 0.14 1.96 0.04 0.00 -0.86 0.00 0.00 30.24 31.51 1k36 n GLN 27 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1k36 s ASN 28 N -2.57 5.60 -0.38 2.61 2.47 -1.26 -2.61 114.94 118.80 1k36 s ASN 28 Ca 0.13 1.03 0.04 0.00 0.42 0.00 0.00 52.86 54.48 1k36 s ASN 28 Cb -0.03 -1.93 0.16 0.00 -1.45 0.00 0.00 41.25 38.00 1k36 s ASN 28 CO 0.08 -1.18 0.44 -0.47 -3.72 0.00 0.00 177.10 172.25 1k36 s TYR 29 N -3.21 -0.64 -0.59 0.43 6.14 0.13 -4.72 117.35 114.88 1k36 s TYR 29 Ca 0.56 -0.55 -0.21 0.00 0.64 0.00 0.00 57.07 57.51 1k36 s TYR 29 Cb -0.11 -0.23 0.08 0.00 0.42 0.00 0.00 41.96 42.12 1k36 s TYR 29 CO 0.50 -1.02 0.79 0.00 0.64 0.00 0.00 175.55 176.46 1k36 s ARG 31 N 3.21 4.17 0.82 0.00 6.06 -0.87 -4.88 118.95 127.46 1k36 s ARG 31 Ca 0.17 1.28 -0.12 0.00 -2.50 0.00 0.00 55.73 54.56 1k36 s ARG 31 Cb -0.20 -3.70 0.09 0.00 0.06 0.00 0.00 34.95 31.20 1k36 s ARG 31 CO 0.10 -0.77 1.19 0.00 -2.50 0.00 0.00 175.30 173.32 1k36 s GLU 33 N -5.58 4.05 -0.46 0.00 2.12 0.83 -4.83 118.70 114.83 1k36 s GLU 33 Ca 0.63 1.07 -0.31 0.00 0.36 0.00 0.00 54.97 56.72 1k36 s GLU 33 Cb -0.11 -3.75 -0.10 0.00 0.26 0.00 0.00 34.13 30.43 1k36 s GLU 33 CO 0.49 -0.92 2.34 0.28 -0.54 0.00 0.00 175.26 176.91 1k36 n VAL 34 N 5.91 0.10 0.00 3.70 0.31 -1.26 -2.20 118.33 124.89 1k36 n VAL 34 Ca 0.12 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 1k36 n VAL 34 Cb 0.47 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 0.40 3.91 2.92 0.00 -1.26 -5.15 105.19 112.27 1k36 n GLY 35 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 1.40 -0.27 1.61 2.02 -0.93 -4.70 117.35 116.47 1k36 s TYR 36 Ca 0.00 0.30 0.11 0.00 -0.37 0.00 0.00 57.07 57.11 1k36 s TYR 36 Cb 0.00 -4.11 0.56 0.00 -0.40 0.00 0.00 41.96 38.01 1k36 s TYR 36 CO 0.00 -2.82 1.53 -2.37 -1.57 0.00 0.00 175.55 170.32 1k36 n THR 37 N -3.89 2.57 -3.44 -0.71 5.66 -1.17 -4.85 114.28 108.46 1k36 n THR 37 Ca 0.16 -2.25 -0.12 0.00 -3.05 0.00 0.00 64.05 58.79 1k36 n THR 37 Cb 0.59 -0.32 -0.02 0.00 -1.55 0.00 0.00 70.33 69.04 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 -2.05 -0.60 -0.22 1.09 0.00 -1.26 -5.00 107.32 99.28 1k36 s GLY 38 Ca 0.46 0.50 -0.00 0.00 0.00 0.00 0.00 44.72 45.68 1k36 s GLY 38 CO 0.05 0.16 1.89 1.55 0.00 0.00 0.00 173.10 176.75 1k36 n VAL 39 N -0.37 2.43 -1.59 1.40 3.14 -1.26 -3.48 118.33 118.60 1k36 n VAL 39 Ca -0.16 -1.23 0.00 0.00 -2.96 0.00 0.00 64.34 59.98 1k36 n VAL 39 Cb 0.65 -1.27 0.00 0.00 -1.06 0.00 0.00 33.84 32.15 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 0.51 0.00 -1.90 1.45 0.63 -1.26 -4.91 116.66 111.18 1k36 n ARG 40 Ca 0.22 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.67 1k36 n ARG 40 Cb 0.62 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.19 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 1.24 0.00 -4.72 0.00 0.00 -1.26 -2.01 120.64 113.89 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 0.19 -0.01 -0.17 0.00 0.00 0.00 0.00 31.44 31.45 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 2.62 -0.10 4.31 -3.43 -1.26 -5.04 115.29 111.39 1k36 s HIS 43 Ca 0.00 -1.29 -0.24 0.00 -0.80 0.00 0.00 55.06 52.72 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 -0.59 0.76 0.12 -2.00 0.00 0.00 174.74 173.03 1k36 s PHE 44 N 0.77 3.52 -0.03 0.38 5.36 -1.26 -3.06 117.98 123.65 1k36 s PHE 44 Ca -0.08 1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 57.14 1k36 s PHE 44 Cb -0.16 -2.89 -0.26 0.00 -0.34 0.00 0.00 43.02 39.37 1k36 s PHE 44 CO -0.01 -0.04 0.71 0.35 -1.46 0.00 0.00 175.22 174.77 1k36 h PHE 45 N 7.00 0.36 -0.01 10.12 3.57 -1.88 -3.47 116.94 132.63 1k36 h PHE 45 Ca -0.37 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 60.87 1k36 h PHE 45 Cb 1.17 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1k36 h PHE 45 CO 0.68 1.39 0.00 1.28 -2.23 0.00 0.00 178.31 179.43