#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 2.99 0.20 6.55 1.04 -1.26 -5.12 113.70 118.10 1k36 s SER 2 Ca 0.00 -2.19 -0.02 0.00 0.48 0.00 0.00 55.95 54.21 1k36 s SER 2 Cb 0.00 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.67 1k36 s SER 2 CO 0.00 -0.31 0.16 -0.51 0.98 0.00 0.00 173.24 173.56 1k36 s ILE 3 N 1.05 0.01 0.17 -1.02 2.07 -1.26 -3.05 121.20 119.17 1k36 s ILE 3 Ca 0.18 -1.93 -0.02 0.00 -1.41 0.00 0.00 60.65 57.47 1k36 s ILE 3 Cb -0.23 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 39.90 1k36 s ILE 3 CO 0.01 -0.04 0.13 -0.89 -1.91 0.00 0.00 174.94 172.23 1k36 s THR 4 N -4.14 0.06 0.04 4.00 2.01 -0.50 -4.86 115.64 112.26 1k36 s THR 4 Ca 0.36 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.49 1k36 s THR 4 Cb 0.06 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1k36 s THR 4 CO 0.11 -0.25 0.06 1.17 -0.69 0.00 0.00 174.62 175.01 1k36 n LYS 5 N -0.18 -0.01 -4.34 4.92 3.00 -1.26 0.15 118.16 120.43 1k36 n LYS 5 Ca -0.03 -0.09 -0.27 0.00 -0.00 0.00 0.00 58.31 57.92 1k36 n LYS 5 Cb 0.64 -0.06 -0.07 0.00 0.00 0.00 0.00 35.03 35.54 1k36 n LYS 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1k36 n SER 7 N -1.24 0.14 -4.72 0.00 2.88 -1.26 -5.07 113.62 104.34 1k36 n SER 7 Ca -0.06 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.22 1k36 n SER 7 Cb 0.66 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.09 4.36 -0.53 -3.46 0.01 -1.26 -3.90 113.70 109.01 1k36 s SER 8 Ca 0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 1k36 s SER 8 Cb 0.00 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.43 1k36 s SER 8 CO 0.00 -1.91 0.00 -0.67 0.41 0.00 0.00 173.24 171.07 1k36 n ASP 9 N -3.13 -1.87 0.00 2.44 2.03 -1.26 -4.66 116.55 110.10 1k36 n ASP 9 Ca 0.10 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.66 1k36 n ASP 9 Cb 0.60 -1.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 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 -1.98 -0.12 -3.31 -0.67 1.56 -1.25 -4.85 117.12 106.49 1k36 n MET 10 Ca -0.06 -0.67 -0.41 0.00 -0.27 0.00 0.00 57.70 56.29 1k36 n MET 10 Cb 0.36 -0.96 -0.02 0.00 2.15 0.00 0.00 33.22 34.75 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 -0.10 5.39 -1.08 6.12 5.03 -1.26 -4.69 115.26 124.66 1k36 n ASN 11 Ca 0.00 -3.20 0.04 0.00 0.87 0.00 0.00 54.58 52.29 1k36 n ASN 11 Cb 0.07 -1.23 0.06 0.00 -1.02 0.00 0.00 39.78 37.66 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k36 n GLY 12 N 2.07 1.94 1.79 7.41 0.00 -1.26 -4.90 105.19 112.24 1k36 n GLY 12 Ca 0.24 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.00 -1.98 -3.20 1.61 9.36 -1.26 -5.05 117.16 116.65 1k36 n TYR 13 Ca 0.08 0.35 -0.40 0.00 3.32 0.00 0.00 57.90 61.25 1k36 n TYR 13 Cb 0.96 0.47 -0.07 0.00 -0.63 0.00 0.00 39.34 40.06 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 5.54 2.49 -4.04 0.00 4.77 -1.01 -4.65 117.00 120.11 1k36 n LEU 15 Ca -0.03 0.25 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 1k36 n LEU 15 Cb 0.49 -1.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.39 1k36 n LEU 15 CO 0.41 0.75 0.09 -1.00 -1.33 0.00 0.00 177.39 176.31 1k36 s HIS 16 N -2.52 3.56 0.00 -1.77 3.76 -1.21 -5.02 115.29 112.09 1k36 s HIS 16 Ca -0.23 -3.01 0.00 0.00 -0.15 0.00 0.00 55.06 51.67 1k36 s HIS 16 Cb 0.06 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.69 1k36 s HIS 16 CO 0.74 -0.73 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1k36 n GLY 17 N 2.75 -0.66 3.88 -2.22 0.00 -1.26 -0.69 105.19 106.99 1k36 n GLY 17 Ca 0.14 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 3.46 0.03 1.61 -0.21 -0.31 -4.89 119.66 117.35 1k36 s GLN 18 Ca 0.00 -0.13 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 1k36 s GLN 18 Cb 0.00 -3.18 -0.05 0.00 1.00 0.00 0.00 33.01 30.78 1k36 s GLN 18 CO 0.00 0.77 0.74 0.00 -2.12 0.00 0.00 175.29 174.67 1k36 n ILE 20 N 2.86 0.00 -3.68 0.00 2.08 0.69 -3.70 119.36 117.61 1k36 n ILE 20 Ca -0.03 -1.08 -0.11 0.00 0.56 0.00 0.00 62.75 62.08 1k36 n ILE 20 Cb 0.50 0.53 -0.12 0.00 -0.75 0.00 0.00 39.64 39.81 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 1k36 s TYR 21 N -2.58 -0.56 0.06 1.39 6.14 0.39 -2.31 117.35 119.88 1k36 s TYR 21 Ca 0.17 1.17 -0.30 0.00 0.64 0.00 0.00 57.07 58.75 1k36 s TYR 21 Cb 0.01 0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.48 1k36 s TYR 21 CO 0.12 -0.37 0.99 -0.51 0.64 0.00 0.00 175.55 176.42 1k36 s LEU 22 N 2.10 4.43 -0.07 6.97 1.43 -1.04 -1.40 118.68 131.10 1k36 s LEU 22 Ca -0.03 1.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.88 1k36 s LEU 22 Cb -0.11 -3.58 -0.24 0.00 0.03 0.00 0.00 46.19 42.29 1k36 s LEU 22 CO -0.11 -0.19 0.57 0.55 0.23 0.00 0.00 176.35 177.41 1k36 n VAL 23 N 3.39 1.67 0.22 -1.59 3.14 -1.17 -2.19 118.33 121.80 1k36 n VAL 23 Ca 0.05 -0.75 0.11 0.00 -2.96 0.00 0.00 64.34 60.79 1k36 n VAL 23 Cb 0.50 -1.28 0.23 0.00 -1.06 0.00 0.00 33.84 32.23 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 0.02 0.00 -2.10 6.55 2.03 -1.92 -3.31 116.42 117.69 1k36 h ASP 24 Ca -0.33 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.45 1k36 h ASP 24 Cb 2.02 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 40.11 1k36 h ASP 24 CO 0.08 0.08 -1.00 0.80 -1.03 0.00 0.00 179.24 178.18 1k36 n MET 25 N -3.13 1.75 -0.68 4.15 1.56 -1.25 -5.05 117.12 114.47 1k36 n MET 25 Ca 0.03 -3.89 -0.10 0.00 -0.27 0.00 0.00 57.70 53.47 1k36 n MET 25 Cb 0.53 -1.89 -0.10 0.00 2.15 0.00 0.00 33.22 33.91 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 0.13 -0.70 -3.82 6.12 3.41 -0.93 -4.51 113.62 113.33 1k36 n SER 26 Ca 0.27 -0.28 -0.07 0.00 -0.26 0.00 0.00 58.87 58.53 1k36 n SER 26 Cb 0.56 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.17 1.81 -0.32 4.33 -2.07 -1.22 -4.98 119.66 120.38 1k36 s GLN 27 Ca 0.57 -1.02 -0.28 0.00 -1.82 0.00 0.00 55.36 52.82 1k36 s GLN 27 Cb -0.37 0.61 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 1k36 s GLN 27 CO 0.25 -0.83 1.03 1.21 -1.32 0.00 0.00 175.29 175.63 1k36 s ASN 28 N -2.93 6.87 -0.40 12.60 3.04 -1.26 -2.50 114.94 130.36 1k36 s ASN 28 Ca 0.11 0.95 -0.06 0.00 0.04 0.00 0.00 52.86 53.91 1k36 s ASN 28 Cb -0.06 -2.52 0.09 0.00 -1.54 0.00 0.00 41.25 37.22 1k36 s ASN 28 CO 0.07 -0.85 0.21 -0.47 -3.04 0.00 0.00 177.10 173.02 1k36 s TYR 29 N 3.57 3.41 -0.30 0.43 6.14 -0.98 -4.94 117.35 124.68 1k36 s TYR 29 Ca 0.43 -1.88 -0.07 0.00 0.64 0.00 0.00 57.07 56.20 1k36 s TYR 29 Cb -0.12 -2.93 0.01 0.00 0.42 0.00 0.00 41.96 39.33 1k36 s TYR 29 CO 0.15 -0.89 0.08 0.00 0.64 0.00 0.00 175.55 175.54 1k36 s ARG 31 N 1.50 4.28 0.87 0.00 6.06 -0.59 -4.87 118.95 126.20 1k36 s ARG 31 Ca 0.02 1.39 -0.13 0.00 -2.50 0.00 0.00 55.73 54.52 1k36 s ARG 31 Cb -0.17 -3.64 0.12 0.00 0.06 0.00 0.00 34.95 31.32 1k36 s ARG 31 CO 0.03 -0.60 1.20 0.00 -2.50 0.00 0.00 175.30 173.43 1k36 s GLU 33 N -5.59 4.29 -0.51 0.00 2.12 0.13 -4.82 118.70 114.32 1k36 s GLU 33 Ca 0.65 1.41 -0.31 0.00 0.36 0.00 0.00 54.97 57.08 1k36 s GLU 33 Cb -0.10 -3.63 -0.11 0.00 0.26 0.00 0.00 34.13 30.54 1k36 s GLU 33 CO 0.51 -0.57 2.36 0.28 -0.54 0.00 0.00 175.26 177.30 1k36 n VAL 34 N 5.15 0.07 0.00 3.70 0.31 -1.26 -2.11 118.33 124.20 1k36 n VAL 34 Ca 0.12 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1k36 n VAL 34 Cb 0.46 -1.88 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 6.31 0.42 3.89 2.92 0.00 -1.26 -5.14 105.19 112.32 1k36 n GLY 35 Ca 0.44 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 2.55 -0.31 1.61 1.51 -0.89 -4.43 117.35 117.38 1k36 s TYR 36 Ca 0.00 0.65 0.08 0.00 -1.01 0.00 0.00 57.07 56.79 1k36 s TYR 36 Cb 0.00 -3.64 0.49 0.00 -0.11 0.00 0.00 41.96 38.71 1k36 s TYR 36 CO 0.00 -2.08 1.45 -2.37 -1.11 0.00 0.00 175.55 171.45 1k36 n THR 37 N -3.49 2.60 -3.47 -0.71 5.66 -1.17 -4.82 114.28 108.88 1k36 n THR 37 Ca 0.10 -2.98 -0.14 0.00 -3.05 0.00 0.00 64.05 57.98 1k36 n THR 37 Cb 0.60 -0.46 -0.04 0.00 -1.55 0.00 0.00 70.33 68.89 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 -2.67 -0.59 -0.21 1.09 0.00 -1.26 -5.01 107.32 98.67 1k36 s GLY 38 Ca 0.46 0.90 -0.02 0.00 0.00 0.00 0.00 44.72 46.06 1k36 s GLY 38 CO -0.00 0.53 2.42 1.55 0.00 0.00 0.00 173.10 177.60 1k36 n VAL 39 N 0.21 2.71 -2.00 1.40 3.14 -1.26 -3.49 118.33 119.05 1k36 n VAL 39 Ca -0.17 -1.58 -0.00 0.00 -2.96 0.00 0.00 64.34 59.63 1k36 n VAL 39 Cb 0.61 -1.54 -0.00 0.00 -1.06 0.00 0.00 33.84 31.86 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 1.10 0.00 -1.49 1.45 0.63 -1.26 -5.03 116.66 112.06 1k36 n ARG 40 Ca 0.28 -0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1k36 n ARG 40 Cb 0.61 -0.08 0.00 0.00 0.45 0.00 0.00 32.46 33.44 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 0.86 0.00 -4.11 0.00 0.00 -1.26 -2.41 120.64 113.72 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 0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 31.44 31.33 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 2.75 -0.36 4.31 -3.43 -1.26 -5.03 115.29 111.26 1k36 s HIS 43 Ca 0.00 -1.64 -0.27 0.00 -0.80 0.00 0.00 55.06 52.35 1k36 s HIS 43 Cb 0.00 -1.89 0.02 0.00 -1.43 0.00 0.00 32.58 29.28 1k36 s HIS 43 CO 0.00 -0.80 0.97 0.12 -2.00 0.00 0.00 174.74 173.03 1k36 s PHE 44 N 1.30 3.09 0.11 0.38 5.36 -1.26 -3.03 117.98 123.92 1k36 s PHE 44 Ca 0.04 0.89 -0.04 0.00 -0.96 0.00 0.00 56.93 56.87 1k36 s PHE 44 Cb -0.13 -3.69 -0.18 0.00 -0.34 0.00 0.00 43.02 38.68 1k36 s PHE 44 CO -0.12 -0.83 1.23 0.35 -1.46 0.00 0.00 175.22 174.39 1k36 h PHE 45 N 8.40 0.52 -0.00 10.12 3.57 -1.88 -3.48 116.94 134.20 1k36 h PHE 45 Ca -0.22 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1k36 h PHE 45 Cb 1.07 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1k36 h PHE 45 CO 0.84 1.20 0.00 1.28 -2.23 0.00 0.00 178.31 179.40