#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k36 n SER 2 N 0.00 0.00 -4.81 4.52 3.41 -1.26 -4.96 113.62 110.52 1k36 n SER 2 Ca 0.00 -0.04 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 1k36 n SER 2 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1k36 s ILE 3 N -3.00 4.29 0.31 -1.33 2.07 -1.26 -4.25 121.20 118.04 1k36 s ILE 3 Ca 0.00 1.54 -0.13 0.00 -1.41 0.00 0.00 60.65 60.65 1k36 s ILE 3 Cb 0.00 -3.69 0.05 0.00 0.13 0.00 0.00 42.46 38.95 1k36 s ILE 3 CO 0.00 -0.20 0.69 1.07 -1.91 0.00 0.00 174.94 174.59 1k36 n THR 4 N -0.37 0.00 -2.90 4.00 5.66 -1.13 -4.92 114.28 114.62 1k36 n THR 4 Ca 0.06 -0.79 -0.18 0.00 -3.05 0.00 0.00 64.05 60.08 1k36 n THR 4 Cb 0.53 0.81 0.07 0.00 -1.55 0.00 0.00 70.33 70.19 1k36 n THR 4 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1k36 n LYS 5 N -0.47 0.45 0.00 1.09 5.02 -1.26 -0.21 118.16 122.77 1k36 n LYS 5 Ca -0.07 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.52 1k36 n LYS 5 Cb 0.50 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 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 0.00 0.00 -4.90 0.00 2.88 -1.26 -5.09 113.62 105.25 1k36 n SER 7 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1k36 n SER 7 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1k36 n SER 7 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1k36 s SER 8 N -4.00 4.57 -0.31 -3.46 0.15 -1.26 -3.65 113.70 105.74 1k36 s SER 8 Ca 0.00 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.45 1k36 s SER 8 Cb 0.00 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1k36 s SER 8 CO 0.00 -1.87 0.00 -0.67 1.20 0.00 0.00 173.24 171.90 1k36 n ASP 9 N -3.29 -1.43 0.00 5.45 2.03 -1.26 -4.63 116.55 113.41 1k36 n ASP 9 Ca 0.08 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1k36 n ASP 9 Cb 0.61 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 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 -2.07 0.18 -3.06 -0.67 1.56 -1.24 -4.84 117.12 106.98 1k36 n MET 10 Ca -0.04 -0.69 -0.42 0.00 -0.27 0.00 0.00 57.70 56.29 1k36 n MET 10 Cb 0.37 -0.91 0.00 0.00 2.15 0.00 0.00 33.22 34.83 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 -0.12 6.15 -0.01 6.12 3.02 -1.26 -4.68 115.26 124.47 1k36 n ASN 11 Ca 0.00 -3.41 0.02 0.00 -0.03 0.00 0.00 54.58 51.17 1k36 n ASN 11 Cb 0.12 -1.22 -0.13 0.00 -0.61 0.00 0.00 39.78 37.95 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 1.31 -1.09 0.04 7.41 0.00 -1.26 -4.61 105.19 106.98 1k36 n GLY 12 Ca 0.26 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1k36 n GLY 12 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1k36 h TYR 13 N 0.00 0.00 -3.17 1.61 3.20 -2.02 -3.45 116.97 113.15 1k36 h TYR 13 Ca -0.20 0.00 -0.58 0.00 3.14 0.00 0.00 58.73 61.09 1k36 h TYR 13 Cb 1.50 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.70 1k36 h TYR 13 CO 0.00 0.00 0.72 0.00 -1.64 0.00 0.00 178.16 177.24 1k36 n LEU 15 N 6.31 2.17 -4.02 0.00 4.77 -1.25 -4.64 117.00 120.35 1k36 n LEU 15 Ca 0.10 0.33 -0.35 0.00 -0.03 0.00 0.00 56.01 56.07 1k36 n LEU 15 Cb 0.47 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.47 1k36 n LEU 15 CO 0.52 0.51 0.34 1.41 -1.33 0.00 0.00 177.39 178.84 1k36 n HIS 16 N -4.06 3.97 -3.06 -1.77 8.25 -1.26 -4.99 115.22 112.30 1k36 n HIS 16 Ca -0.33 -4.06 0.00 0.00 -0.26 0.00 0.00 57.72 53.06 1k36 n HIS 16 Cb 0.83 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 2.08 -0.62 3.13 -1.41 0.00 -1.26 -1.62 105.19 105.49 1k36 n GLY 17 Ca 0.23 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.13 1.39 0.10 1.61 -0.21 -0.97 -4.96 119.66 116.49 1k36 s GLN 18 Ca 0.00 -0.56 -0.28 0.00 0.02 0.00 0.00 55.36 54.53 1k36 s GLN 18 Cb 0.00 -1.30 -0.06 0.00 1.00 0.00 0.00 33.01 32.65 1k36 s GLN 18 CO 0.00 0.31 0.90 0.00 -2.12 0.00 0.00 175.29 174.38 1k36 s ILE 20 N -0.08 0.00 -0.01 0.00 -1.09 0.12 -3.51 121.20 116.64 1k36 s ILE 20 Ca 0.44 -1.87 0.01 0.00 -2.23 0.00 0.00 60.65 57.00 1k36 s ILE 20 Cb -0.23 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 1k36 s ILE 20 CO 0.28 0.00 -0.03 -0.47 -1.23 0.00 0.00 174.94 173.48 1k36 s TYR 21 N -3.87 0.36 -0.15 3.97 6.14 0.70 -0.70 117.35 123.80 1k36 s TYR 21 Ca 0.36 -0.06 -0.08 0.00 0.64 0.00 0.00 57.07 57.93 1k36 s TYR 21 Cb 0.04 -0.26 -0.04 0.00 0.42 0.00 0.00 41.96 42.11 1k36 s TYR 21 CO 0.16 -0.03 0.13 -0.51 0.64 0.00 0.00 175.55 175.93 1k36 s LEU 22 N 0.09 4.27 0.02 6.97 2.01 -1.07 -2.82 118.68 128.15 1k36 s LEU 22 Ca -0.01 0.36 0.16 0.00 0.01 0.00 0.00 54.13 54.65 1k36 s LEU 22 Cb -0.04 -2.06 -0.17 0.00 0.01 0.00 0.00 46.19 43.93 1k36 s LEU 22 CO -0.00 0.33 0.74 0.55 1.01 0.00 0.00 176.35 178.97 1k36 n VAL 23 N 2.54 1.31 0.42 -1.59 3.14 -1.26 -2.50 118.33 120.39 1k36 n VAL 23 Ca -0.19 -0.73 0.13 0.00 -2.96 0.00 0.00 64.34 60.60 1k36 n VAL 23 Cb 0.54 -0.81 0.35 0.00 -1.06 0.00 0.00 33.84 32.85 1k36 n VAL 23 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1k36 h ASP 24 N 0.00 0.00 -1.66 6.55 5.19 -1.94 -3.33 116.42 121.23 1k36 h ASP 24 Ca -0.22 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.72 1k36 h ASP 24 Cb 1.74 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 40.89 1k36 h ASP 24 CO 0.05 0.00 -1.04 0.23 -3.12 0.00 0.00 179.24 175.37 1k36 n MET 25 N -2.65 0.85 -0.65 3.56 2.81 -1.25 -5.06 117.12 114.74 1k36 n MET 25 Ca 0.04 -3.05 -0.08 0.00 -1.81 0.00 0.00 57.70 52.79 1k36 n MET 25 Cb 0.44 -1.43 -0.09 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 0.86 -0.71 -3.05 7.83 3.41 -1.04 -4.58 113.62 116.33 1k36 n SER 26 Ca 0.20 -0.31 -0.08 0.00 -0.26 0.00 0.00 58.87 58.42 1k36 n SER 26 Cb 0.61 -0.25 0.02 0.00 -0.26 0.00 0.00 64.21 64.33 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 3.05 2.14 0.52 4.33 -2.07 -1.23 -4.99 119.66 121.41 1k36 s GLN 27 Ca 0.51 -1.36 -0.14 0.00 -1.82 0.00 0.00 55.36 52.55 1k36 s GLN 27 Cb -0.33 0.61 -0.07 0.00 -1.09 0.00 0.00 33.01 32.14 1k36 s GLN 27 CO 0.22 -1.00 0.96 0.54 -1.32 0.00 0.00 175.29 174.69 1k36 s ASN 28 N -3.07 6.50 -0.33 12.60 4.22 -1.26 -2.61 114.94 130.99 1k36 s ASN 28 Ca 0.15 1.45 0.02 0.00 -2.14 0.00 0.00 52.86 52.35 1k36 s ASN 28 Cb -0.05 -2.46 0.16 0.00 1.28 0.00 0.00 41.25 40.17 1k36 s ASN 28 CO 0.11 -0.63 0.39 -0.47 -2.04 0.00 0.00 177.10 174.46 1k36 s TYR 29 N -2.73 -0.68 -0.43 1.54 6.14 0.12 -4.78 117.35 116.52 1k36 s TYR 29 Ca 0.56 -0.24 -0.13 0.00 0.64 0.00 0.00 57.07 57.91 1k36 s TYR 29 Cb -0.10 -0.28 0.06 0.00 0.42 0.00 0.00 41.96 42.06 1k36 s TYR 29 CO 0.37 -0.98 0.31 0.00 0.64 0.00 0.00 175.55 175.89 1k36 s ARG 31 N 1.58 3.24 0.93 0.00 6.06 -0.73 -4.83 118.95 125.20 1k36 s ARG 31 Ca 0.04 -0.38 -0.15 0.00 -2.50 0.00 0.00 55.73 52.73 1k36 s ARG 31 Cb -0.22 -4.43 0.17 0.00 0.06 0.00 0.00 34.95 30.53 1k36 s ARG 31 CO 0.06 -2.20 1.28 0.00 -2.50 0.00 0.00 175.30 171.95 1k36 s GLU 33 N -5.80 4.40 0.00 0.00 2.12 -0.64 -4.89 118.70 113.90 1k36 s GLU 33 Ca 0.71 1.40 0.08 0.00 0.36 0.00 0.00 54.97 57.51 1k36 s GLU 33 Cb -0.06 -3.56 0.34 0.00 0.26 0.00 0.00 34.13 31.11 1k36 s GLU 33 CO 0.52 -0.36 1.21 0.28 -0.54 0.00 0.00 175.26 176.37 1k36 n VAL 34 N 4.65 1.34 1.55 3.70 0.31 -1.26 -1.63 118.33 126.98 1k36 n VAL 34 Ca 0.09 0.33 0.14 0.00 -0.01 0.00 0.00 64.34 64.90 1k36 n VAL 34 Cb 0.48 -1.20 0.78 0.00 -0.91 0.00 0.00 33.84 32.99 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 -0.70 -1.09 3.89 2.92 0.00 -1.26 -4.82 105.19 104.13 1k36 n GLY 35 Ca 0.02 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.32 3.06 -0.39 1.61 1.51 -0.65 -4.27 117.35 115.91 1k36 s TYR 36 Ca 0.34 0.85 0.06 0.00 -1.01 0.00 0.00 57.07 57.31 1k36 s TYR 36 Cb 0.19 -3.36 0.54 0.00 -0.11 0.00 0.00 41.96 39.23 1k36 s TYR 36 CO 0.39 -1.60 1.64 -2.37 -1.11 0.00 0.00 175.55 172.51 1k36 n THR 37 N -3.23 2.88 -4.07 -0.71 5.66 -1.16 -4.79 114.28 108.86 1k36 n THR 37 Ca 0.08 -2.67 -0.11 0.00 -3.05 0.00 0.00 64.05 58.29 1k36 n THR 37 Cb 0.60 -0.54 -0.06 0.00 -1.55 0.00 0.00 70.33 68.78 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 -2.19 0.94 -0.08 1.09 0.00 -1.26 -5.00 107.32 100.81 1k36 s GLY 38 Ca 0.51 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 44.06 1k36 s GLY 38 CO 0.03 -0.90 0.93 1.55 0.00 0.00 0.00 173.10 174.71 1k36 n VAL 39 N -0.38 0.95 0.00 1.40 3.14 -1.26 -4.64 118.33 117.55 1k36 n VAL 39 Ca -0.00 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1k36 n VAL 39 Cb 0.63 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 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 0.17 0.00 0.00 1.45 0.63 -1.26 -5.06 116.66 112.59 1k36 n ARG 40 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1k36 n ARG 40 Cb 0.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.49 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 0.00 1.56 -3.90 0.00 2.13 -1.26 -3.79 120.64 115.38 1k36 n GLU 42 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1k36 n GLU 42 Cb 0.00 -0.66 -0.16 0.00 0.27 0.00 0.00 31.44 30.89 1k36 n GLU 42 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 1k36 s HIS 43 N -1.24 1.87 -0.57 4.31 -3.43 -1.26 -5.08 115.29 109.89 1k36 s HIS 43 Ca 0.00 -1.27 -0.28 0.00 -0.80 0.00 0.00 55.06 52.71 1k36 s HIS 43 Cb 0.00 -1.38 0.03 0.00 -1.43 0.00 0.00 32.58 29.80 1k36 s HIS 43 CO 0.00 -0.67 1.22 0.12 -2.00 0.00 0.00 174.74 173.42 1k36 s PHE 44 N 1.58 2.58 0.42 0.38 5.36 -1.26 -3.00 117.98 124.03 1k36 s PHE 44 Ca -0.01 0.45 0.15 0.00 -0.96 0.00 0.00 56.93 56.56 1k36 s PHE 44 Cb -0.16 -4.49 0.97 0.00 -0.34 0.00 0.00 43.02 38.99 1k36 s PHE 44 CO -0.07 -1.62 1.95 0.27 -1.46 0.00 0.00 175.22 174.28 1k36 h PHE 45 N 9.74 0.00 -0.02 10.12 -5.15 -1.87 -3.47 116.94 126.29 1k36 h PHE 45 Ca -0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 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 1.03 0.23 0.00 1.28 -2.00 0.00 0.00 178.31 178.85