#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 -0.14 0.06 6.55 0.15 -1.26 -5.10 113.70 113.96 1k36 s SER 2 Ca 0.00 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.65 1k36 s SER 2 Cb 0.00 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1k36 s SER 2 CO 0.00 -0.32 0.23 -0.51 1.20 0.00 0.00 173.24 173.83 1k36 s ILE 3 N -0.94 0.11 0.19 6.45 2.07 -1.26 -2.96 121.20 124.87 1k36 s ILE 3 Ca -0.10 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.24 1k36 s ILE 3 Cb -0.05 -1.07 -0.05 0.00 0.13 0.00 0.00 42.46 41.43 1k36 s ILE 3 CO 0.02 -0.51 -0.01 -0.89 -1.91 0.00 0.00 174.94 171.64 1k36 s THR 4 N -3.04 0.83 0.15 4.00 2.01 -0.96 -4.89 115.64 113.74 1k36 s THR 4 Ca -0.01 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.06 1k36 s THR 4 Cb 0.01 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 1k36 s THR 4 CO -0.06 -0.46 -0.17 -0.75 -0.69 0.00 0.00 174.62 172.49 1k36 s LYS 5 N -3.88 1.20 0.00 4.92 2.20 -1.26 -0.02 119.74 122.90 1k36 s LYS 5 Ca 0.25 -1.36 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 1k36 s LYS 5 Cb 0.06 -1.19 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1k36 s LYS 5 CO 0.05 0.24 0.00 0.00 -0.36 0.00 0.00 175.35 175.28 1k36 n SER 7 N 0.00 1.78 -0.57 0.00 2.88 -1.26 -4.95 113.62 111.50 1k36 n SER 7 Ca 0.00 -0.44 0.04 0.00 -1.33 0.00 0.00 58.87 57.14 1k36 n SER 7 Cb 0.00 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 63.58 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 -0.54 1.62 -0.48 -3.46 7.64 -1.26 -3.69 113.62 113.46 1k36 n SER 8 Ca 0.00 -2.05 0.07 0.00 1.01 0.00 0.00 58.87 57.90 1k36 n SER 8 Cb 0.00 -0.24 0.17 0.00 -1.01 0.00 0.00 64.21 63.13 1k36 n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k36 n ASP 9 N 0.27 1.81 -0.15 6.43 2.03 -1.26 -4.63 116.55 121.06 1k36 n ASP 9 Ca 0.09 -3.45 0.01 0.00 0.52 0.00 0.00 54.79 51.96 1k36 n ASP 9 Cb 0.28 -0.47 0.02 0.00 -0.72 0.00 0.00 41.12 40.23 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k36 n MET 10 N -1.08 0.75 -2.92 -0.67 1.56 -1.24 -4.90 117.12 108.62 1k36 n MET 10 Ca 0.17 -1.12 -0.40 0.00 -0.27 0.00 0.00 57.70 56.07 1k36 n MET 10 Cb 0.70 -0.73 0.00 0.00 2.15 0.00 0.00 33.22 35.34 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 -0.29 6.43 -1.48 6.12 3.02 -1.26 -4.77 115.26 123.03 1k36 n ASN 11 Ca 0.02 -3.52 -0.06 0.00 -0.03 0.00 0.00 54.58 50.99 1k36 n ASN 11 Cb 0.53 -1.16 0.14 0.00 -0.61 0.00 0.00 39.78 38.67 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k36 n GLY 12 N 0.78 2.90 2.04 7.41 0.00 -1.26 -4.35 105.19 112.71 1k36 n GLY 12 Ca 0.33 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.10 -2.23 -3.22 1.61 9.36 -1.26 -5.08 117.16 116.24 1k36 n TYR 13 Ca 0.25 0.49 -0.39 0.00 3.32 0.00 0.00 57.90 61.56 1k36 n TYR 13 Cb 0.97 1.18 -0.06 0.00 -0.63 0.00 0.00 39.34 40.80 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 4.22 2.27 -4.13 0.00 4.77 -1.15 -4.69 117.00 118.29 1k36 n LEU 15 Ca -0.05 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 55.86 1k36 n LEU 15 Cb 0.51 -1.04 -0.08 0.00 -2.33 0.00 0.00 43.42 40.48 1k36 n LEU 15 CO 0.44 0.58 0.12 -1.00 -1.33 0.00 0.00 177.39 176.20 1k36 s HIS 16 N -2.47 3.49 -1.44 -1.77 3.76 -1.23 -4.99 115.29 110.63 1k36 s HIS 16 Ca -0.26 -2.65 0.00 0.00 -0.15 0.00 0.00 55.06 52.00 1k36 s HIS 16 Cb 0.07 -3.29 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1k36 s HIS 16 CO 0.68 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 174.13 1k36 n GLY 17 N 3.43 -0.65 3.09 -2.22 0.00 -1.26 -0.19 105.19 107.40 1k36 n GLY 17 Ca 0.10 -0.77 -0.15 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.58 0.63 -0.22 1.61 -0.21 -0.62 -4.96 119.66 115.31 1k36 s GLN 18 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.30 1k36 s GLN 18 Cb 0.00 -0.49 0.01 0.00 1.00 0.00 0.00 33.01 33.53 1k36 s GLN 18 CO 0.00 0.10 1.04 0.00 -2.12 0.00 0.00 175.29 174.31 1k36 s ILE 20 N 3.14 1.83 -0.02 0.00 -1.09 -0.02 -2.61 121.20 122.43 1k36 s ILE 20 Ca 0.44 -2.05 0.00 0.00 -2.23 0.00 0.00 60.65 56.82 1k36 s ILE 20 Cb -0.15 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 37.91 1k36 s ILE 20 CO 0.07 -0.06 0.02 -0.47 -1.23 0.00 0.00 174.94 173.27 1k36 s TYR 21 N -2.85 0.10 -0.03 3.97 6.14 0.98 -0.19 117.35 125.46 1k36 s TYR 21 Ca 0.34 0.10 -0.19 0.00 0.64 0.00 0.00 57.07 57.96 1k36 s TYR 21 Cb 0.08 -0.28 -0.05 0.00 0.42 0.00 0.00 41.96 42.13 1k36 s TYR 21 CO 0.17 -0.10 0.55 -0.51 0.64 0.00 0.00 175.55 176.29 1k36 s LEU 22 N 1.07 4.39 0.06 6.97 2.01 -1.07 -2.28 118.68 129.83 1k36 s LEU 22 Ca -0.09 1.06 0.17 0.00 0.01 0.00 0.00 54.13 55.28 1k36 s LEU 22 Cb -0.13 -2.83 -0.14 0.00 0.01 0.00 0.00 46.19 43.10 1k36 s LEU 22 CO -0.03 0.10 0.81 0.55 1.01 0.00 0.00 176.35 178.80 1k36 n VAL 23 N 2.84 1.16 0.61 -1.59 3.14 -1.15 -2.56 118.33 120.77 1k36 n VAL 23 Ca -0.08 -0.69 0.13 0.00 -2.96 0.00 0.00 64.34 60.74 1k36 n VAL 23 Cb 0.51 -0.71 0.43 0.00 -1.06 0.00 0.00 33.84 33.01 1k36 n VAL 23 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1k36 n ASP 24 N -2.87 0.74 -3.02 6.55 8.00 -1.26 -4.01 116.55 120.68 1k36 n ASP 24 Ca -0.10 0.59 -0.17 0.00 0.71 0.00 0.00 54.79 55.82 1k36 n ASP 24 Cb 0.83 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 41.14 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 25 N -2.21 0.82 -0.66 -1.24 1.56 -1.25 -5.06 117.12 109.08 1k36 n MET 25 Ca 0.05 -2.72 -0.09 0.00 -0.27 0.00 0.00 57.70 54.67 1k36 n MET 25 Cb 0.39 -1.36 -0.09 0.00 2.15 0.00 0.00 33.22 34.31 1k36 n MET 25 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1k36 n SER 26 N 1.10 -0.72 -3.56 6.12 3.41 -1.06 -4.59 113.62 114.32 1k36 n SER 26 Ca 0.17 -0.31 -0.16 0.00 -0.26 0.00 0.00 58.87 58.31 1k36 n SER 26 Cb 0.60 -0.25 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 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 3.09 0.96 0.97 4.33 0.74 -1.23 -5.00 119.66 123.53 1k36 s GLN 27 Ca 0.52 0.52 -0.12 0.00 0.05 0.00 0.00 55.36 56.33 1k36 s GLN 27 Cb -0.34 0.46 0.11 0.00 1.10 0.00 0.00 33.01 34.34 1k36 s GLN 27 CO 0.22 -0.24 0.70 0.09 -0.55 0.00 0.00 175.29 175.51 1k36 n ASN 28 N 1.54 -1.18 -3.15 6.67 3.02 -1.26 -2.59 115.26 118.30 1k36 n ASN 28 Ca -0.17 0.28 -0.08 0.00 -0.03 0.00 0.00 54.58 54.58 1k36 n ASN 28 Cb 0.56 -1.29 -0.03 0.00 -0.61 0.00 0.00 39.78 38.41 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 -2.47 -1.01 -0.60 3.10 6.14 0.74 -4.73 117.35 118.51 1k36 s TYR 29 Ca 0.61 -0.54 -0.26 0.00 0.64 0.00 0.00 57.07 57.52 1k36 s TYR 29 Cb -0.21 -0.01 0.04 0.00 0.42 0.00 0.00 41.96 42.19 1k36 s TYR 29 CO 0.64 -1.11 1.10 0.00 0.64 0.00 0.00 175.55 176.82 1k36 s ARG 31 N 4.65 4.33 0.87 0.00 6.06 -0.86 -4.88 118.95 129.12 1k36 s ARG 31 Ca 0.36 1.24 -0.13 0.00 -2.50 0.00 0.00 55.73 54.69 1k36 s ARG 31 Cb -0.10 -3.58 0.12 0.00 0.06 0.00 0.00 34.95 31.45 1k36 s ARG 31 CO 0.21 -0.41 1.23 0.00 -2.50 0.00 0.00 175.30 173.82 1k36 s GLU 33 N -5.68 4.52 -0.36 0.00 2.12 0.74 -4.81 118.70 115.23 1k36 s GLU 33 Ca 0.66 1.42 -0.28 0.00 0.36 0.00 0.00 54.97 57.14 1k36 s GLU 33 Cb -0.09 -3.48 -0.07 0.00 0.26 0.00 0.00 34.13 30.76 1k36 s GLU 33 CO 0.51 -0.13 2.31 0.28 -0.54 0.00 0.00 175.26 177.69 1k36 n VAL 34 N 4.07 0.15 0.00 3.70 0.31 -1.26 -2.31 118.33 122.99 1k36 n VAL 34 Ca 0.07 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1k36 n VAL 34 Cb 0.50 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 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 5.96 0.52 3.84 2.92 0.00 -1.26 -5.13 105.19 112.05 1k36 n GLY 35 Ca 0.35 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 3.43 -0.60 1.61 2.02 -0.98 -3.74 117.35 119.08 1k36 s TYR 36 Ca 0.00 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.19 1k36 s TYR 36 Cb 0.00 -2.80 0.41 0.00 -0.40 0.00 0.00 41.96 39.16 1k36 s TYR 36 CO 0.00 -0.39 1.61 -2.37 -1.57 0.00 0.00 175.55 172.83 1k36 n THR 37 N -1.55 3.05 -3.46 -0.71 5.66 -1.17 -4.83 114.28 111.27 1k36 n THR 37 Ca 0.07 -4.24 -0.14 0.00 -3.05 0.00 0.00 64.05 56.69 1k36 n THR 37 Cb 0.54 -1.22 -0.04 0.00 -1.55 0.00 0.00 70.33 68.07 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 -2.38 -0.60 -0.22 1.09 0.00 -1.26 -4.99 107.32 98.95 1k36 s GLY 38 Ca 0.53 0.82 -0.00 0.00 0.00 0.00 0.00 44.72 46.07 1k36 s GLY 38 CO -0.20 0.47 1.82 1.55 0.00 0.00 0.00 173.10 176.74 1k36 n VAL 39 N 0.11 2.36 -2.00 1.40 3.14 -1.26 -3.57 118.33 118.52 1k36 n VAL 39 Ca -0.18 -1.17 -0.02 0.00 -2.96 0.00 0.00 64.34 60.02 1k36 n VAL 39 Cb 0.62 -1.22 -0.02 0.00 -1.06 0.00 0.00 33.84 32.16 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 0.44 0.00 -1.76 1.45 0.63 -1.26 -5.08 116.66 111.07 1k36 n ARG 40 Ca 0.22 -0.23 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1k36 n ARG 40 Cb 0.66 0.12 0.00 0.00 0.45 0.00 0.00 32.46 33.69 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 1.01 0.00 -4.01 0.00 0.00 -1.26 -2.92 120.64 113.46 1k36 n GLU 42 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 1k36 n GLU 42 Cb 0.21 -0.38 -0.16 0.00 0.00 0.00 0.00 31.44 31.11 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 2.30 -0.65 4.31 -3.43 -1.26 -5.05 115.29 110.51 1k36 s HIS 43 Ca 0.00 -1.39 -0.28 0.00 -0.80 0.00 0.00 55.06 52.59 1k36 s HIS 43 Cb 0.00 -1.63 0.03 0.00 -1.43 0.00 0.00 32.58 29.55 1k36 s HIS 43 CO 0.00 -0.71 1.26 0.12 -2.00 0.00 0.00 174.74 173.41 1k36 s PHE 44 N 1.44 2.41 0.39 0.38 5.36 -1.26 -3.05 117.98 123.66 1k36 s PHE 44 Ca 0.02 0.21 0.17 0.00 -0.96 0.00 0.00 56.93 56.37 1k36 s PHE 44 Cb -0.14 -4.56 0.99 0.00 -0.34 0.00 0.00 43.02 38.97 1k36 s PHE 44 CO -0.10 -1.86 1.94 0.27 -1.46 0.00 0.00 175.22 174.01 1k36 h PHE 45 N 9.97 0.00 -0.01 10.12 -5.15 -1.88 -3.48 116.94 126.50 1k36 h PHE 45 Ca -0.27 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 1k36 h PHE 45 Cb 1.06 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.23 1k36 h PHE 45 CO 1.08 0.25 0.00 1.28 -2.00 0.00 0.00 178.31 178.92