#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k37 n SER 2 N 0.00 3.34 -4.79 6.55 2.88 -1.26 -5.09 113.62 115.26 1k37 n SER 2 Ca 0.00 -3.35 -0.36 0.00 -1.33 0.00 0.00 58.87 53.83 1k37 n SER 2 Cb 0.00 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.72 1k37 n SER 2 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1k37 s ILE 3 N -2.26 4.21 0.39 2.46 1.10 -1.26 -4.02 121.20 121.82 1k37 s ILE 3 Ca 0.38 1.75 0.08 0.00 -0.51 0.00 0.00 60.65 62.35 1k37 s ILE 3 Cb 0.13 -3.94 -0.06 0.00 0.15 0.00 0.00 42.46 38.75 1k37 s ILE 3 CO -0.04 0.07 0.08 -0.89 -2.11 0.00 0.00 174.94 172.05 1k37 s THR 4 N -1.70 2.30 0.38 4.00 2.01 -0.90 -4.87 115.64 116.86 1k37 s THR 4 Ca 0.52 -1.88 0.07 0.00 0.31 0.00 0.00 61.69 60.72 1k37 s THR 4 Cb -0.17 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.40 1k37 s THR 4 CO 0.22 -0.06 0.52 -0.54 -0.69 0.00 0.00 174.62 174.08 1k37 s LYS 5 N -3.79 2.97 0.47 4.92 1.02 -1.26 -0.05 119.74 124.02 1k37 s LYS 5 Ca 0.37 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 55.33 1k37 s LYS 5 Cb 0.05 -2.78 0.08 0.00 -0.52 0.00 0.00 37.83 34.65 1k37 s LYS 5 CO 0.20 -0.11 0.64 0.00 -0.92 0.00 0.00 175.35 175.17 1k37 n SER 7 N -2.50 0.72 0.09 0.00 2.88 -1.26 -5.03 113.62 108.51 1k37 n SER 7 Ca 0.13 -0.63 -0.13 0.00 -1.33 0.00 0.00 58.87 56.91 1k37 n SER 7 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 1k37 n SER 7 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1k37 h SER 8 N 0.00 0.34 -0.75 -3.46 0.87 -2.03 -3.27 113.55 105.25 1k37 h SER 8 Ca 0.00 -0.33 -0.46 0.00 -1.23 0.00 0.00 61.79 59.77 1k37 h SER 8 Cb 0.00 -0.11 -0.23 0.00 -0.44 0.00 0.00 62.40 61.63 1k37 h SER 8 CO 0.00 1.21 0.59 -0.67 -0.53 0.00 0.00 176.83 177.43 1k37 n ASP 9 N -3.56 5.49 0.00 6.23 2.03 -1.26 -4.08 116.55 121.39 1k37 n ASP 9 Ca -0.06 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.91 1k37 n ASP 9 Cb 0.94 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1k37 n ASP 9 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 1k37 n MET 10 N -0.52 0.69 -2.91 -0.67 1.56 -1.23 -4.88 117.12 109.17 1k37 n MET 10 Ca 0.46 -0.76 -0.43 0.00 -0.27 0.00 0.00 57.70 56.70 1k37 n MET 10 Cb 0.98 -0.84 0.01 0.00 2.15 0.00 0.00 33.22 35.52 1k37 n MET 10 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1k37 n ASN 11 N -0.17 6.25 -2.27 6.12 2.85 -1.26 -4.74 115.26 122.04 1k37 n ASN 11 Ca 0.00 -3.37 -0.23 0.00 -0.11 0.00 0.00 54.58 50.86 1k37 n ASN 11 Cb 0.21 -1.30 0.01 0.00 1.24 0.00 0.00 39.78 39.94 1k37 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k37 n GLY 12 N 1.52 5.81 2.18 8.20 0.00 -1.26 -4.82 105.19 116.82 1k37 n GLY 12 Ca 0.28 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1k37 n GLY 12 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k37 n TYR 13 N -0.59 -4.21 -3.14 1.61 9.36 -1.26 -5.09 117.16 113.84 1k37 n TYR 13 Ca 0.39 1.28 -0.41 0.00 3.32 0.00 0.00 57.90 62.48 1k37 n TYR 13 Cb 0.83 3.25 -0.07 0.00 -0.63 0.00 0.00 39.34 42.72 1k37 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k37 n LEU 15 N 5.82 2.56 -4.07 0.00 4.77 -1.05 -4.66 117.00 120.37 1k37 n LEU 15 Ca -0.02 0.23 -0.35 0.00 -0.03 0.00 0.00 56.01 55.85 1k37 n LEU 15 Cb 0.49 -1.11 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 1k37 n LEU 15 CO 0.45 0.80 0.13 -1.00 -1.33 0.00 0.00 177.39 176.44 1k37 s HIS 16 N -2.54 3.59 -0.71 -1.77 3.76 -1.12 -4.99 115.29 111.52 1k37 s HIS 16 Ca -0.23 -2.95 0.00 0.00 -0.15 0.00 0.00 55.06 51.73 1k37 s HIS 16 Cb 0.07 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.63 1k37 s HIS 16 CO 0.75 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 1k37 n GLY 17 N 2.82 -0.83 2.96 -2.22 0.00 -1.26 -0.03 105.19 106.64 1k37 n GLY 17 Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 1k37 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k37 s GLN 18 N -0.51 0.36 -0.25 1.61 -0.21 -0.21 -4.98 119.66 115.46 1k37 s GLN 18 Ca 0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 55.36 54.95 1k37 s GLN 18 Cb 0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 33.01 33.69 1k37 s GLN 18 CO 0.00 0.07 0.33 0.00 -2.12 0.00 0.00 175.29 173.57 1k37 n ILE 20 N 4.84 0.00 -3.77 0.00 -5.35 0.45 -3.21 119.36 112.32 1k37 n ILE 20 Ca -0.10 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1k37 n ILE 20 Cb 0.51 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 38.28 1k37 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k37 s TYR 21 N -1.43 -0.23 -0.09 4.28 6.14 0.93 -1.83 117.35 125.13 1k37 s TYR 21 Ca 0.00 0.58 -0.20 0.00 0.64 0.00 0.00 57.07 58.09 1k37 s TYR 21 Cb 0.00 0.03 -0.04 0.00 0.42 0.00 0.00 41.96 42.37 1k37 s TYR 21 CO 0.00 -0.15 0.56 -0.51 0.64 0.00 0.00 175.55 176.09 1k37 s LEU 22 N 0.61 4.31 0.08 6.97 2.01 -1.06 -2.13 118.68 129.47 1k37 s LEU 22 Ca -0.04 0.97 0.16 0.00 0.01 0.00 0.00 54.13 55.23 1k37 s LEU 22 Cb -0.06 -2.84 -0.12 0.00 0.01 0.00 0.00 46.19 43.18 1k37 s LEU 22 CO -0.03 -0.02 0.88 1.62 1.01 0.00 0.00 176.35 179.81 1k37 h VAL 23 N 4.65 0.56 0.00 -1.59 3.04 -1.92 -2.68 116.25 118.31 1k37 h VAL 23 Ca -0.42 -2.06 -0.10 0.00 -1.01 0.00 0.00 66.70 63.12 1k37 h VAL 23 Cb 1.19 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 32.55 1k37 h VAL 23 CO 0.75 0.32 -0.47 0.44 -1.01 0.00 0.00 177.57 177.59 1k37 h ASP 24 N 0.00 0.00 -2.01 3.17 3.32 -1.93 -3.35 116.42 115.62 1k37 h ASP 24 Ca -0.15 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.36 1k37 h ASP 24 Cb 1.59 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.74 1k37 h ASP 24 CO 0.05 0.47 -1.12 0.80 -1.72 0.00 0.00 179.24 177.72 1k37 n MET 25 N -3.29 0.88 -0.64 3.56 1.56 -1.25 -5.07 117.12 112.86 1k37 n MET 25 Ca 0.01 -3.33 -0.13 0.00 -0.27 0.00 0.00 57.70 53.98 1k37 n MET 25 Cb 0.68 -1.41 -0.08 0.00 2.15 0.00 0.00 33.22 34.56 1k37 n MET 25 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 1k37 n SER 26 N 1.01 -0.27 -3.55 6.12 3.41 -1.01 -4.64 113.62 114.69 1k37 n SER 26 Ca 0.23 -0.08 -0.17 0.00 -0.26 0.00 0.00 58.87 58.58 1k37 n SER 26 Cb 0.57 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 64.15 1k37 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1k37 s GLN 27 N 3.40 0.99 -0.34 4.33 0.74 -1.23 -4.99 119.66 122.56 1k37 s GLN 27 Ca 0.57 0.45 -0.28 0.00 0.05 0.00 0.00 55.36 56.15 1k37 s GLN 27 Cb -0.45 0.47 -0.03 0.00 1.10 0.00 0.00 33.01 34.10 1k37 s GLN 27 CO 0.23 -0.27 1.94 1.21 -0.55 0.00 0.00 175.29 177.85 1k37 s ASN 28 N -0.78 5.63 -0.09 6.67 2.47 -1.26 -2.57 114.94 125.00 1k37 s ASN 28 Ca -0.08 1.32 -0.13 0.00 0.42 0.00 0.00 52.86 54.40 1k37 s ASN 28 Cb -0.01 -2.52 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 1k37 s ASN 28 CO 0.07 -1.91 0.30 -0.47 -3.72 0.00 0.00 177.10 171.37 1k37 s TYR 29 N 7.79 3.59 -0.24 0.43 6.14 -0.76 -4.96 117.35 129.35 1k37 s TYR 29 Ca 0.84 0.73 -0.01 0.00 0.64 0.00 0.00 57.07 59.28 1k37 s TYR 29 Cb -0.23 -2.23 0.07 0.00 0.42 0.00 0.00 41.96 39.99 1k37 s TYR 29 CO 0.32 0.51 0.01 0.00 0.64 0.00 0.00 175.55 177.03 1k37 s ARG 31 N 1.59 4.09 0.88 0.00 6.06 -0.72 -4.88 118.95 125.97 1k37 s ARG 31 Ca -0.01 1.14 -0.14 0.00 -2.50 0.00 0.00 55.73 54.23 1k37 s ARG 31 Cb -0.18 -3.73 0.13 0.00 0.06 0.00 0.00 34.95 31.23 1k37 s ARG 31 CO -0.10 -0.87 1.23 0.00 -2.50 0.00 0.00 175.30 173.06 1k37 s GLU 33 N -5.66 4.59 -0.34 0.00 2.12 0.96 -4.81 118.70 115.55 1k37 s GLU 33 Ca 0.66 1.46 -0.28 0.00 0.36 0.00 0.00 54.97 57.18 1k37 s GLU 33 Cb -0.09 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1k37 s GLU 33 CO 0.51 0.00 1.89 0.08 -0.54 0.00 0.00 175.26 177.21 1k37 s VAL 34 N 0.73 3.37 0.00 3.70 1.01 -1.26 -2.53 120.40 125.42 1k37 s VAL 34 Ca 0.51 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1k37 s VAL 34 Cb -0.22 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1k37 s VAL 34 CO 0.29 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1k37 n GLY 35 N 5.52 0.79 3.86 4.51 0.00 -1.26 -5.14 105.19 113.47 1k37 n GLY 35 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1k37 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k37 s TYR 36 N 0.00 3.30 -0.52 1.61 1.51 -1.05 -4.50 117.35 117.70 1k37 s TYR 36 Ca 0.00 1.16 0.02 0.00 -1.01 0.00 0.00 57.07 57.24 1k37 s TYR 36 Cb 0.00 -2.98 0.45 0.00 -0.11 0.00 0.00 41.96 39.32 1k37 s TYR 36 CO 0.00 -1.17 1.66 -2.37 -1.11 0.00 0.00 175.55 172.56 1k37 n THR 37 N -3.03 3.14 -3.45 -0.71 5.66 -1.19 -4.88 114.28 109.82 1k37 n THR 37 Ca 0.07 -3.60 -0.13 0.00 -3.05 0.00 0.00 64.05 57.34 1k37 n THR 37 Cb 0.56 -1.16 -0.03 0.00 -1.55 0.00 0.00 70.33 68.15 1k37 n THR 37 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1k37 s GLY 38 N -2.58 -0.59 -0.10 1.09 0.00 -1.26 -5.00 107.32 98.87 1k37 s GLY 38 Ca 0.58 0.74 0.03 0.00 0.00 0.00 0.00 44.72 46.07 1k37 s GLY 38 CO -0.02 0.36 1.06 1.55 0.00 0.00 0.00 173.10 176.05 1k37 n VAL 39 N -0.08 1.22 -1.56 1.40 3.14 -1.26 -3.53 118.33 117.67 1k37 n VAL 39 Ca -0.17 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.70 1k37 n VAL 39 Cb 0.63 -0.59 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 1k37 n VAL 39 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1k37 n ARG 40 N 0.11 0.10 -2.49 1.45 0.63 -1.26 -4.93 116.66 110.27 1k37 n ARG 40 Ca 0.13 -0.87 -0.18 0.00 -0.92 0.00 0.00 57.85 56.01 1k37 n ARG 40 Cb 0.69 -0.54 0.02 0.00 0.45 0.00 0.00 32.46 33.08 1k37 n ARG 40 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1k37 n GLU 42 N 0.19 0.00 -4.07 0.00 0.00 -1.26 -2.54 120.64 112.96 1k37 n GLU 42 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.80 1k37 n GLU 42 Cb 0.40 -0.40 -0.16 0.00 0.00 0.00 0.00 31.44 31.28 1k37 n GLU 42 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 1k37 s HIS 43 N -1.00 2.69 -0.58 4.31 -3.43 -1.26 -5.04 115.29 110.98 1k37 s HIS 43 Ca 0.00 -1.68 -0.28 0.00 -0.80 0.00 0.00 55.06 52.30 1k37 s HIS 43 Cb 0.00 -1.82 0.03 0.00 -1.43 0.00 0.00 32.58 29.36 1k37 s HIS 43 CO 0.00 -0.79 1.20 0.12 -2.00 0.00 0.00 174.74 173.27 1k37 s PHE 44 N 1.31 2.60 0.35 0.38 5.36 -1.26 -3.17 117.98 123.55 1k37 s PHE 44 Ca 0.02 0.41 0.17 0.00 -0.96 0.00 0.00 56.93 56.57 1k37 s PHE 44 Cb -0.15 -4.52 0.88 0.00 -0.34 0.00 0.00 43.02 38.89 1k37 s PHE 44 CO -0.10 -1.60 1.87 0.35 -1.46 0.00 0.00 175.22 174.27 1k37 h PHE 45 N 9.58 0.00 0.00 10.12 3.57 -1.90 -3.48 116.94 134.82 1k37 h PHE 45 Ca -0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.25 1k37 h PHE 45 Cb 1.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1k37 h PHE 45 CO 1.04 0.31 0.00 1.28 -2.23 0.00 0.00 178.31 178.71