#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 -0.50 0.19 6.55 0.01 -1.26 -5.12 113.70 113.57 1k36 s SER 2 Ca 0.00 0.87 0.10 0.00 1.31 0.00 0.00 55.95 58.23 1k36 s SER 2 Cb 0.00 0.76 -0.04 0.00 0.21 0.00 0.00 66.02 66.95 1k36 s SER 2 CO 0.00 -0.19 -0.20 -0.51 0.41 0.00 0.00 173.24 172.75 1k36 s ILE 3 N 1.42 2.06 0.00 1.44 2.07 -1.26 -3.17 121.20 123.75 1k36 s ILE 3 Ca -0.09 -2.01 0.00 0.00 -1.41 0.00 0.00 60.65 57.13 1k36 s ILE 3 Cb -0.09 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.52 1k36 s ILE 3 CO -0.13 -0.27 0.00 0.41 -1.91 0.00 0.00 174.94 173.05 1k36 n THR 4 N 0.17 0.00 -4.62 4.00 -1.04 -0.79 -4.83 114.28 107.17 1k36 n THR 4 Ca -0.12 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.60 1k36 n THR 4 Cb 0.57 -0.01 -0.07 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.01 0.63 -0.22 -2.82 5.02 -1.26 -1.22 118.16 118.28 1k36 n LYS 5 Ca 0.00 -3.68 0.00 0.00 -2.02 0.00 0.00 58.31 52.61 1k36 n LYS 5 Cb 0.00 1.58 0.00 0.00 -0.02 0.00 0.00 35.03 36.59 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 -0.19 0.00 0.00 0.00 2.88 -1.26 -4.99 113.62 110.07 1k36 n SER 7 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1k36 n SER 7 Cb 0.00 0.00 0.68 0.00 -0.75 0.00 0.00 64.21 64.14 1k36 n SER 7 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1k36 n SER 8 N 0.00 0.00 -1.99 -3.46 3.41 -1.26 -3.44 113.62 106.89 1k36 n SER 8 Ca 0.00 -1.25 -0.16 0.00 -0.26 0.00 0.00 58.87 57.20 1k36 n SER 8 Cb 0.00 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.13 1k36 n SER 8 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1k36 n ASP 9 N -0.86 3.86 -0.19 4.04 5.68 -1.26 -4.07 116.55 123.74 1k36 n ASP 9 Ca 0.17 -3.27 0.02 0.00 -0.50 0.00 0.00 54.79 51.21 1k36 n ASP 9 Cb 0.08 -0.77 0.04 0.00 -1.14 0.00 0.00 41.12 39.33 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.33 0.00 0.00 177.20 176.67 1k36 n MET 10 N -0.67 1.39 -2.01 0.11 1.56 -1.22 -4.77 117.12 111.50 1k36 n MET 10 Ca 0.46 -1.25 -0.40 0.00 -0.27 0.00 0.00 57.70 56.24 1k36 n MET 10 Cb 1.43 -1.09 -0.00 0.00 2.15 0.00 0.00 33.22 35.71 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 0.02 7.86 0.00 6.12 3.02 -1.26 -4.00 115.26 127.03 1k36 n ASN 11 Ca 0.03 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1k36 n ASN 11 Cb 0.21 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 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 1.83 0.17 0.10 7.41 0.00 -1.26 -4.99 105.19 108.44 1k36 n GLY 12 Ca 0.61 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.11 0.60 -4.05 1.61 9.36 -1.26 -4.89 117.16 117.43 1k36 n TYR 13 Ca 0.00 0.26 -0.33 0.00 3.32 0.00 0.00 57.90 61.15 1k36 n TYR 13 Cb 0.00 -0.87 -0.15 0.00 -0.63 0.00 0.00 39.34 37.69 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 4.62 1.87 -4.32 0.00 4.77 -1.06 -4.63 117.00 118.25 1k36 n LEU 15 Ca -0.18 0.41 -0.45 0.00 -0.03 0.00 0.00 56.01 55.77 1k36 n LEU 15 Cb 0.48 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1k36 n LEU 15 CO 0.26 0.30 0.92 1.41 -1.33 0.00 0.00 177.39 178.94 1k36 n HIS 16 N -4.41 4.97 0.00 -1.77 8.25 -1.25 -4.94 115.22 116.07 1k36 n HIS 16 Ca -0.35 -3.72 0.00 0.00 -0.26 0.00 0.00 57.72 53.40 1k36 n HIS 16 Cb 0.70 -1.74 0.00 0.00 1.12 0.00 0.00 29.99 30.07 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 2.75 1.34 3.86 -1.41 0.00 -1.26 0.74 105.19 111.21 1k36 n GLY 17 Ca 0.26 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.00 3.77 0.14 1.61 -0.21 -0.18 -4.87 119.66 117.92 1k36 s GLN 18 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1k36 s GLN 18 Cb 0.00 -3.05 -0.04 0.00 1.00 0.00 0.00 33.01 30.92 1k36 s GLN 18 CO 0.00 0.60 0.30 0.00 -2.12 0.00 0.00 175.29 174.07 1k36 n ILE 20 N -0.29 0.00 -4.24 0.00 -0.00 -0.26 -4.31 119.36 110.25 1k36 n ILE 20 Ca -0.05 -0.46 -0.21 0.00 -0.00 0.00 0.00 62.75 62.03 1k36 n ILE 20 Cb 0.53 0.45 -0.16 0.00 -0.00 0.00 0.00 39.64 40.46 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 -5.86 0.89 -0.05 4.28 6.14 -0.36 -2.29 117.35 120.10 1k36 s TYR 21 Ca 0.07 -0.28 -0.22 0.00 0.64 0.00 0.00 57.07 57.28 1k36 s TYR 21 Cb -0.02 -0.75 -0.04 0.00 0.42 0.00 0.00 41.96 41.56 1k36 s TYR 21 CO 0.05 -0.21 0.66 -0.51 0.64 0.00 0.00 175.55 176.18 1k36 s LEU 22 N 0.89 4.34 0.03 6.97 2.01 -1.09 -1.89 118.68 129.94 1k36 s LEU 22 Ca -0.11 1.16 0.16 0.00 0.01 0.00 0.00 54.13 55.35 1k36 s LEU 22 Cb -0.15 -3.02 -0.16 0.00 0.01 0.00 0.00 46.19 42.87 1k36 s LEU 22 CO 0.01 -0.05 0.75 0.55 1.01 0.00 0.00 176.35 178.62 1k36 n VAL 23 N 3.47 1.27 0.60 -1.59 3.14 -1.19 -2.48 118.33 121.54 1k36 n VAL 23 Ca -0.03 -0.72 0.13 0.00 -2.96 0.00 0.00 64.34 60.76 1k36 n VAL 23 Cb 0.51 -0.78 0.43 0.00 -1.06 0.00 0.00 33.84 32.94 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 -2.91 0.75 -3.01 6.55 2.03 -1.26 -4.02 116.55 114.68 1k36 n ASP 24 Ca -0.12 0.59 -0.17 0.00 0.52 0.00 0.00 54.79 55.61 1k36 n ASP 24 Cb 0.89 -0.78 -0.01 0.00 -0.72 0.00 0.00 41.12 40.50 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1k36 n MET 25 N -2.22 0.81 -0.69 -0.67 2.81 -1.25 -5.06 117.12 110.85 1k36 n MET 25 Ca 0.05 -2.66 -0.09 0.00 -1.81 0.00 0.00 57.70 53.20 1k36 n MET 25 Cb 0.39 -1.35 -0.09 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.19 -0.79 -3.70 7.83 3.41 -1.04 -4.61 113.62 115.92 1k36 n SER 26 Ca 0.16 -0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1k36 n SER 26 Cb 0.60 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.24 1.50 -0.35 4.33 0.74 -1.23 -5.00 119.66 122.90 1k36 s GLN 27 Ca 0.51 -0.82 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 1k36 s GLN 27 Cb -0.33 0.57 0.01 0.00 1.10 0.00 0.00 33.01 34.36 1k36 s GLN 27 CO 0.22 -0.66 1.29 -0.80 -0.55 0.00 0.00 175.29 174.79 1k36 s ASN 28 N -2.86 6.61 -0.31 6.67 -0.87 -1.26 -2.67 114.94 120.25 1k36 s ASN 28 Ca 0.08 1.03 -0.11 0.00 -1.57 0.00 0.00 52.86 52.29 1k36 s ASN 28 Cb -0.03 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1k36 s ASN 28 CO -0.02 -1.16 0.19 -0.47 -2.57 0.00 0.00 177.10 173.07 1k36 s TYR 29 N 4.56 3.20 -0.26 2.20 6.14 -0.97 -4.96 117.35 127.27 1k36 s TYR 29 Ca 0.56 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 58.07 1k36 s TYR 29 Cb -0.15 -2.40 0.04 0.00 0.42 0.00 0.00 41.96 39.88 1k36 s TYR 29 CO 0.26 -0.32 -0.08 0.00 0.64 0.00 0.00 175.55 176.04 1k36 s ARG 31 N 1.22 3.47 1.00 0.00 6.06 -0.45 -4.95 118.95 125.29 1k36 s ARG 31 Ca -0.04 0.02 -0.17 0.00 -2.50 0.00 0.00 55.73 53.05 1k36 s ARG 31 Cb -0.18 -3.93 0.23 0.00 0.06 0.00 0.00 34.95 31.13 1k36 s ARG 31 CO -0.05 -1.15 1.33 0.00 -2.50 0.00 0.00 175.30 172.92 1k36 s GLU 33 N -5.90 3.97 -0.48 0.00 2.12 0.23 -4.76 118.70 113.88 1k36 s GLU 33 Ca 0.76 0.81 -0.32 0.00 0.36 0.00 0.00 54.97 56.57 1k36 s GLU 33 Cb -0.02 -3.76 -0.11 0.00 0.26 0.00 0.00 34.13 30.50 1k36 s GLU 33 CO 0.53 -0.87 2.33 0.28 -0.54 0.00 0.00 175.26 176.99 1k36 n VAL 34 N 5.84 0.10 0.00 3.70 0.31 -1.26 -1.98 118.33 125.04 1k36 n VAL 34 Ca 0.09 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1k36 n VAL 34 Cb 0.48 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 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 6.35 -0.25 3.87 2.92 0.00 -1.26 -5.14 105.19 111.68 1k36 n GLY 35 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.06 3.29 -0.38 1.61 1.51 -0.84 -4.44 117.35 118.05 1k36 s TYR 36 Ca 0.00 1.10 0.06 0.00 -1.01 0.00 0.00 57.07 57.22 1k36 s TYR 36 Cb 0.00 -3.03 0.63 0.00 -0.11 0.00 0.00 41.96 39.45 1k36 s TYR 36 CO 0.00 -1.20 1.76 -2.37 -1.11 0.00 0.00 175.55 172.63 1k36 n THR 37 N -3.03 2.82 -3.49 -0.71 5.66 -1.16 -4.83 114.28 109.54 1k36 n THR 37 Ca 0.07 -1.57 -0.16 0.00 -3.05 0.00 0.00 64.05 59.33 1k36 n THR 37 Cb 0.57 -0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 68.83 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 -0.94 -0.59 -0.15 1.09 0.00 -1.26 -5.00 107.32 100.46 1k36 s GLY 38 Ca 0.50 1.08 -0.02 0.00 0.00 0.00 0.00 44.72 46.28 1k36 s GLY 38 CO 0.11 0.73 2.52 1.55 0.00 0.00 0.00 173.10 178.01 1k36 n VAL 39 N 0.53 2.65 -1.99 1.40 3.14 -1.26 -3.52 118.33 119.28 1k36 n VAL 39 Ca -0.18 -1.44 -0.00 0.00 -2.96 0.00 0.00 64.34 59.76 1k36 n VAL 39 Cb 0.59 -1.59 -0.00 0.00 -1.06 0.00 0.00 33.84 31.78 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 1.35 0.00 -2.24 1.45 0.63 -1.26 -4.97 116.66 111.62 1k36 n ARG 40 Ca 0.26 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 1k36 n ARG 40 Cb 0.63 0.01 0.00 0.00 0.45 0.00 0.00 32.46 33.56 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 1.40 0.00 -4.02 0.00 0.00 -1.26 -2.58 120.64 114.19 1k36 n GLU 42 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.85 1k36 n GLU 42 Cb 0.21 -0.21 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 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 -1.03 2.73 -0.49 4.31 -3.43 -1.26 -5.06 115.29 111.05 1k36 s HIS 43 Ca 0.00 -1.88 -0.29 0.00 -0.80 0.00 0.00 55.06 52.09 1k36 s HIS 43 Cb 0.00 -1.75 0.02 0.00 -1.43 0.00 0.00 32.58 29.43 1k36 s HIS 43 CO 0.00 -0.80 1.24 0.12 -2.00 0.00 0.00 174.74 173.30 1k36 s PHE 44 N 1.29 2.62 -1.03 0.38 5.36 -1.26 -2.98 117.98 122.37 1k36 s PHE 44 Ca -0.04 0.62 0.09 0.00 -0.96 0.00 0.00 56.93 56.63 1k36 s PHE 44 Cb -0.18 -4.43 0.39 0.00 -0.34 0.00 0.00 43.02 38.46 1k36 s PHE 44 CO -0.07 -1.57 1.28 1.97 -1.46 0.00 0.00 175.22 175.37 1k36 n PHE 45 N 8.37 0.00 0.81 10.12 1.16 -1.26 -4.92 117.46 131.74 1k36 n PHE 45 Ca 0.12 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.80 1k36 n PHE 45 Cb 0.49 -0.49 0.08 0.00 -1.61 0.00 0.00 39.48 37.95 1k36 n PHE 45 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17