#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 6.24 0.14 4.52 0.01 -1.26 -5.04 113.70 118.32 1k36 s SER 2 Ca 0.00 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.61 1k36 s SER 2 Cb 0.00 -2.28 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1k36 s SER 2 CO 0.00 -0.77 -0.07 -0.51 0.41 0.00 0.00 173.24 172.31 1k36 s ILE 3 N 2.54 0.93 0.37 1.44 2.07 -1.26 -2.82 121.20 124.46 1k36 s ILE 3 Ca 0.16 -2.01 0.02 0.00 -1.41 0.00 0.00 60.65 57.42 1k36 s ILE 3 Cb -0.17 -1.88 -0.01 0.00 0.13 0.00 0.00 42.46 40.53 1k36 s ILE 3 CO 0.14 -0.71 0.08 0.41 -1.91 0.00 0.00 174.94 172.95 1k36 n THR 4 N -0.17 0.00 -3.97 4.00 -1.04 -0.82 -4.86 114.28 107.42 1k36 n THR 4 Ca -0.10 -2.00 -0.24 0.00 -2.04 0.00 0.00 64.05 59.67 1k36 n THR 4 Cb 0.61 0.61 -0.05 0.00 -1.82 0.00 0.00 70.33 69.68 1k36 n THR 4 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1k36 s LYS 5 N -3.38 2.31 0.00 -2.82 2.47 -1.26 -1.19 119.74 115.86 1k36 s LYS 5 Ca 0.11 -1.80 0.00 0.00 -1.56 0.00 0.00 55.97 52.72 1k36 s LYS 5 Cb 0.01 -2.08 0.00 0.00 -1.46 0.00 0.00 37.83 34.29 1k36 s LYS 5 CO 0.08 -0.20 0.00 0.00 0.16 0.00 0.00 175.35 175.39 1k36 n SER 7 N -0.70 1.34 -0.24 0.00 2.88 -1.26 -5.01 113.62 110.63 1k36 n SER 7 Ca 0.00 -0.71 0.03 0.00 -1.33 0.00 0.00 58.87 56.86 1k36 n SER 7 Cb 0.00 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.57 1k36 n SER 7 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1k36 n SER 8 N -1.17 0.71 -0.91 -3.46 2.88 -1.26 -3.52 113.62 106.89 1k36 n SER 8 Ca 0.00 -1.94 0.04 0.00 -1.33 0.00 0.00 58.87 55.64 1k36 n SER 8 Cb 0.00 -0.08 0.06 0.00 -0.75 0.00 0.00 64.21 63.44 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k36 n ASP 9 N -0.14 0.99 -0.30 -3.46 9.92 -1.26 -4.78 116.55 117.52 1k36 n ASP 9 Ca 0.06 -2.45 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 1k36 n ASP 9 Cb 0.12 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 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 -0.13 0.00 -2.70 -1.24 1.56 -1.23 -4.92 117.12 108.46 1k36 n MET 10 Ca 0.08 -0.64 -0.33 0.00 -0.27 0.00 0.00 57.70 56.54 1k36 n MET 10 Cb 0.89 -0.40 -0.01 0.00 2.15 0.00 0.00 33.22 35.85 1k36 n MET 10 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1k36 n ASN 11 N 0.00 5.73 -3.35 6.12 6.94 -1.26 -4.83 115.26 124.60 1k36 n ASN 11 Ca 0.00 -3.71 -0.34 0.00 -0.02 0.00 0.00 54.58 50.52 1k36 n ASN 11 Cb 0.60 -0.79 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1k36 n GLY 12 N -0.24 5.68 1.99 4.83 0.00 -1.26 -4.62 105.19 111.57 1k36 n GLY 12 Ca 0.39 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 0.09 -2.54 -3.71 1.61 9.36 -1.26 -5.09 117.16 115.62 1k36 n TYR 13 Ca 0.36 0.05 -0.37 0.00 3.32 0.00 0.00 57.90 61.26 1k36 n TYR 13 Cb 0.34 0.59 -0.12 0.00 -0.63 0.00 0.00 39.34 39.52 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 2.00 -3.87 0.00 4.77 -0.97 -4.54 117.00 119.36 1k36 n LEU 15 Ca -0.15 0.38 -0.40 0.00 -0.03 0.00 0.00 56.01 55.81 1k36 n LEU 15 Cb 0.51 -0.99 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1k36 n LEU 15 CO 0.32 0.39 0.96 1.41 -1.33 0.00 0.00 177.39 179.13 1k36 n HIS 16 N -4.26 2.51 -3.72 -1.77 8.25 -1.21 -4.96 115.22 110.06 1k36 n HIS 16 Ca -0.33 -2.86 0.00 0.00 -0.26 0.00 0.00 57.72 54.27 1k36 n HIS 16 Cb 0.76 -1.12 0.00 0.00 1.12 0.00 0.00 29.99 30.75 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 1.13 0.83 3.43 -1.41 0.00 -1.26 -0.53 105.19 107.38 1k36 n GLY 17 Ca 0.28 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 2.67 0.27 1.61 -1.52 -0.52 -4.93 119.66 115.24 1k36 s GLN 18 Ca 0.02 -0.72 -0.18 0.00 -1.95 0.00 0.00 55.36 52.53 1k36 s GLN 18 Cb -0.00 -2.40 -0.09 0.00 -0.22 0.00 0.00 33.01 30.30 1k36 s GLN 18 CO 0.00 0.52 0.75 0.00 -0.25 0.00 0.00 175.29 176.31 1k36 n ILE 20 N 0.23 0.00 -3.78 0.00 -5.35 -0.01 -4.13 119.36 106.32 1k36 n ILE 20 Ca 0.01 -0.48 -0.22 0.00 -0.27 0.00 0.00 62.75 61.79 1k36 n ILE 20 Cb 0.52 0.46 -0.18 0.00 -1.74 0.00 0.00 39.64 38.70 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k36 s TYR 21 N -5.75 0.60 0.04 4.28 6.14 -0.33 -1.99 117.35 120.34 1k36 s TYR 21 Ca 0.08 -0.12 -0.30 0.00 0.64 0.00 0.00 57.07 57.36 1k36 s TYR 21 Cb -0.02 -0.76 -0.04 0.00 0.42 0.00 0.00 41.96 41.56 1k36 s TYR 21 CO 0.06 -0.31 0.98 -0.51 0.64 0.00 0.00 175.55 176.41 1k36 s LEU 22 N 1.94 4.42 0.05 6.97 1.43 -1.09 -1.95 118.68 130.44 1k36 s LEU 22 Ca 0.04 1.73 0.13 0.00 -1.03 0.00 0.00 54.13 55.00 1k36 s LEU 22 Cb -0.12 -3.58 -0.16 0.00 0.03 0.00 0.00 46.19 42.36 1k36 s LEU 22 CO -0.05 -0.20 0.90 1.62 0.23 0.00 0.00 176.35 178.85 1k36 h VAL 23 N 4.51 0.86 0.00 -1.59 3.04 -1.89 -2.12 116.25 119.06 1k36 h VAL 23 Ca -0.42 -2.51 -0.01 0.00 -1.01 0.00 0.00 66.70 62.75 1k36 h VAL 23 Cb 1.22 2.35 -0.00 0.00 -2.01 0.00 0.00 31.29 32.84 1k36 h VAL 23 CO 0.74 0.49 -0.06 0.44 -1.01 0.00 0.00 177.57 178.17 1k36 h ASP 24 N 0.00 0.00 -1.98 3.17 5.19 -1.92 -3.34 116.42 117.54 1k36 h ASP 24 Ca -0.17 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.73 1k36 h ASP 24 Cb 1.76 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 40.87 1k36 h ASP 24 CO 0.07 0.06 -1.16 0.23 -3.12 0.00 0.00 179.24 175.32 1k36 n MET 25 N -3.12 0.87 -0.63 3.56 2.81 -1.24 -5.05 117.12 114.32 1k36 n MET 25 Ca 0.03 -3.31 -0.08 0.00 -1.81 0.00 0.00 57.70 52.54 1k36 n MET 25 Cb 0.52 -1.52 -0.08 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.70 -0.73 -3.54 7.83 3.41 -0.80 -4.53 113.62 115.96 1k36 n SER 26 Ca 0.23 -0.35 -0.17 0.00 -0.26 0.00 0.00 58.87 58.33 1k36 n SER 26 Cb 0.61 -0.25 -0.06 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 2.97 0.98 -0.41 4.33 0.74 -1.23 -4.97 119.66 122.06 1k36 s GLN 27 Ca 0.45 0.33 -0.27 0.00 0.05 0.00 0.00 55.36 55.92 1k36 s GLN 27 Cb -0.29 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 1k36 s GLN 27 CO 0.20 -0.29 2.08 0.54 -0.55 0.00 0.00 175.29 177.26 1k36 s ASN 28 N -1.00 5.25 -0.03 6.67 2.20 -1.26 -2.68 114.94 124.08 1k36 s ASN 28 Ca -0.09 1.16 -0.04 0.00 -0.94 0.00 0.00 52.86 52.96 1k36 s ASN 28 Cb -0.01 -2.52 -0.04 0.00 -2.00 0.00 0.00 41.25 36.69 1k36 s ASN 28 CO 0.08 -2.24 0.18 -0.47 -2.94 0.00 0.00 177.10 171.71 1k36 s TYR 29 N 9.17 3.56 -0.12 1.54 6.14 -0.84 -4.96 117.35 131.84 1k36 s TYR 29 Ca 0.87 0.42 -0.03 0.00 0.64 0.00 0.00 57.07 58.97 1k36 s TYR 29 Cb -0.21 -1.87 0.04 0.00 0.42 0.00 0.00 41.96 40.34 1k36 s TYR 29 CO 0.29 0.66 0.04 0.00 0.64 0.00 0.00 175.55 177.19 1k36 s ARG 31 N 2.03 3.96 0.88 0.00 6.06 -0.84 -4.86 118.95 126.18 1k36 s ARG 31 Ca 0.03 0.88 -0.14 0.00 -2.50 0.00 0.00 55.73 54.01 1k36 s ARG 31 Cb -0.14 -3.78 0.13 0.00 0.06 0.00 0.00 34.95 31.22 1k36 s ARG 31 CO -0.06 -0.99 1.23 0.00 -2.50 0.00 0.00 175.30 172.98 1k36 s GLU 33 N -5.67 4.17 -0.49 0.00 2.12 0.31 -4.85 118.70 114.28 1k36 s GLU 33 Ca 0.67 1.27 -0.33 0.00 0.36 0.00 0.00 54.97 56.94 1k36 s GLU 33 Cb -0.09 -3.70 -0.12 0.00 0.26 0.00 0.00 34.13 30.48 1k36 s GLU 33 CO 0.51 -0.76 2.33 0.28 -0.54 0.00 0.00 175.26 177.07 1k36 n VAL 34 N 5.57 0.10 0.00 3.70 0.31 -1.26 -2.15 118.33 124.60 1k36 n VAL 34 Ca 0.12 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1k36 n VAL 34 Cb 0.46 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 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 6.44 0.43 3.88 2.92 0.00 -1.26 -5.14 105.19 112.46 1k36 n GLY 35 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 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 3.00 -0.37 1.61 2.02 -0.91 -4.49 117.35 118.21 1k36 s TYR 36 Ca 0.00 0.85 0.06 0.00 -0.37 0.00 0.00 57.07 57.61 1k36 s TYR 36 Cb 0.00 -3.37 0.57 0.00 -0.40 0.00 0.00 41.96 38.76 1k36 s TYR 36 CO 0.00 -1.68 1.65 -2.37 -1.57 0.00 0.00 175.55 171.58 1k36 n THR 37 N -3.29 2.85 -3.47 -0.71 5.66 -1.17 -4.85 114.28 109.30 1k36 n THR 37 Ca 0.08 -2.49 -0.15 0.00 -3.05 0.00 0.00 64.05 58.43 1k36 n THR 37 Cb 0.60 -0.43 -0.04 0.00 -1.55 0.00 0.00 70.33 68.91 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 -2.07 -0.60 -0.18 1.09 0.00 -1.26 -5.01 107.32 99.29 1k36 s GLY 38 Ca 0.50 0.95 -0.02 0.00 0.00 0.00 0.00 44.72 46.14 1k36 s GLY 38 CO 0.04 0.59 2.53 1.55 0.00 0.00 0.00 173.10 177.81 1k36 n VAL 39 N 0.31 2.71 -2.00 1.40 3.14 -1.26 -3.47 118.33 119.17 1k36 n VAL 39 Ca -0.18 -1.55 -0.02 0.00 -2.96 0.00 0.00 64.34 59.63 1k36 n VAL 39 Cb 0.61 -1.59 -0.02 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 1.27 0.00 -1.48 1.45 0.63 -1.26 -4.99 116.66 112.28 1k36 n ARG 40 Ca 0.28 -0.28 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1k36 n ARG 40 Cb 0.63 0.12 0.00 0.00 0.45 0.00 0.00 32.46 33.66 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 0.97 0.00 -4.06 0.00 0.00 -1.26 -2.29 120.64 114.00 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 0.15 -0.17 -0.16 0.00 0.00 0.00 0.00 31.44 31.27 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 2.68 -0.34 4.31 -3.43 -1.26 -5.05 115.29 111.20 1k36 s HIS 43 Ca 0.00 -1.70 -0.29 0.00 -0.80 0.00 0.00 55.06 52.27 1k36 s HIS 43 Cb 0.00 -1.79 0.02 0.00 -1.43 0.00 0.00 32.58 29.38 1k36 s HIS 43 CO 0.00 -0.78 1.09 0.12 -2.00 0.00 0.00 174.74 173.17 1k36 s PHE 44 N 1.31 3.09 -0.10 0.38 5.36 -1.26 -3.02 117.98 123.75 1k36 s PHE 44 Ca 0.00 1.12 0.14 0.00 -0.96 0.00 0.00 56.93 57.23 1k36 s PHE 44 Cb -0.15 -3.81 -0.04 0.00 -0.34 0.00 0.00 43.02 38.68 1k36 s PHE 44 CO -0.10 -0.86 1.23 0.35 -1.46 0.00 0.00 175.22 174.38 1k36 h PHE 45 N 8.28 0.00 -0.01 10.12 3.57 -1.89 -3.48 116.94 133.54 1k36 h PHE 45 Ca -0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1k36 h PHE 45 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1k36 h PHE 45 CO 0.85 0.62 0.00 1.28 -2.23 0.00 0.00 178.31 178.84