#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 -0.54 0.12 6.55 0.01 -1.26 -5.11 113.70 113.47 1k36 s SER 2 Ca 0.00 1.17 0.07 0.00 1.31 0.00 0.00 55.95 58.50 1k36 s SER 2 Cb 0.00 1.62 -0.04 0.00 0.21 0.00 0.00 66.02 67.81 1k36 s SER 2 CO 0.00 -0.23 -0.07 -0.51 0.41 0.00 0.00 173.24 172.84 1k36 s ILE 3 N 2.64 3.49 0.29 1.44 2.07 -1.26 -2.77 121.20 127.11 1k36 s ILE 3 Ca -0.03 -1.28 0.10 0.00 -1.41 0.00 0.00 60.65 58.03 1k36 s ILE 3 Cb -0.12 -2.66 -0.05 0.00 0.13 0.00 0.00 42.46 39.77 1k36 s ILE 3 CO -0.15 0.07 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.00 1k36 s THR 4 N -1.32 2.88 0.50 4.00 2.01 -0.77 -4.86 115.64 118.08 1k36 s THR 4 Ca 0.23 -2.09 -0.08 0.00 0.31 0.00 0.00 61.69 60.06 1k36 s THR 4 Cb -0.11 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 1k36 s THR 4 CO 0.15 -0.33 0.85 -0.75 -0.69 0.00 0.00 174.62 173.85 1k36 s LYS 5 N -3.63 3.62 0.28 4.92 2.47 -1.26 -0.21 119.74 125.92 1k36 s LYS 5 Ca 0.32 0.41 -0.01 0.00 -1.56 0.00 0.00 55.97 55.13 1k36 s LYS 5 Cb -0.04 -2.30 0.06 0.00 -1.46 0.00 0.00 37.83 34.09 1k36 s LYS 5 CO 0.18 -0.25 0.38 0.00 0.16 0.00 0.00 175.35 175.81 1k36 n SER 7 N -3.03 0.33 -4.92 0.00 2.88 -1.26 -5.05 113.62 102.57 1k36 n SER 7 Ca 0.06 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.36 1k36 n SER 7 Cb 0.21 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.73 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 1.00 4.95 -1.35 -3.46 0.01 -1.26 -4.03 113.70 109.56 1k36 s SER 8 Ca 0.00 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.44 1k36 s SER 8 Cb 0.00 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.33 1k36 s SER 8 CO 0.00 -1.44 0.00 -0.67 0.41 0.00 0.00 173.24 171.54 1k36 n ASP 9 N -2.67 -3.52 -0.11 2.44 -0.08 -1.26 -4.71 116.55 106.64 1k36 n ASP 9 Ca 0.09 0.32 0.01 0.00 -1.51 0.00 0.00 54.79 53.69 1k36 n ASP 9 Cb 0.60 -3.24 0.02 0.00 2.34 0.00 0.00 41.12 40.84 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 1k36 n MET 10 N -1.77 1.26 -3.36 -0.67 1.56 -1.26 -4.83 117.12 108.05 1k36 n MET 10 Ca -0.13 -1.15 -0.39 0.00 -0.27 0.00 0.00 57.70 55.76 1k36 n MET 10 Cb 0.43 -1.05 -0.03 0.00 2.15 0.00 0.00 33.22 34.73 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 5.13 0.00 6.12 4.13 -1.26 -4.64 115.26 124.64 1k36 n ASN 11 Ca 0.02 -3.22 0.00 0.00 1.68 0.00 0.00 54.58 53.06 1k36 n ASN 11 Cb 0.18 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1k36 n GLY 12 N 1.97 0.00 0.07 7.41 0.00 -1.26 -4.84 105.19 108.54 1k36 n GLY 12 Ca 0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.88 1.61 3.20 -1.96 -3.44 116.97 112.51 1k36 h TYR 13 Ca 0.00 0.00 -0.64 0.00 3.14 0.00 0.00 58.73 61.23 1k36 h TYR 13 Cb 0.51 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.61 1k36 h TYR 13 CO 0.00 0.77 -0.49 0.00 -1.64 0.00 0.00 178.16 176.80 1k36 n LEU 15 N 5.09 2.38 -4.11 0.00 4.77 -0.97 -4.66 117.00 119.49 1k36 n LEU 15 Ca -0.13 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 1k36 n LEU 15 Cb 0.52 -1.06 -0.08 0.00 -2.33 0.00 0.00 43.42 40.47 1k36 n LEU 15 CO 0.34 0.66 0.19 -1.00 -1.33 0.00 0.00 177.39 176.24 1k36 s HIS 16 N -2.49 3.62 0.00 -1.77 3.76 -1.21 -5.01 115.29 112.18 1k36 s HIS 16 Ca -0.25 -2.80 0.00 0.00 -0.15 0.00 0.00 55.06 51.86 1k36 s HIS 16 Cb 0.07 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1k36 s HIS 16 CO 0.70 -0.81 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1k36 n GLY 17 N 3.03 -0.56 3.90 -2.22 0.00 -1.26 -0.59 105.19 107.50 1k36 n GLY 17 Ca 0.14 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.78 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 3.55 -0.13 1.61 -0.21 -0.48 -4.91 119.66 117.09 1k36 s GLN 18 Ca 0.00 -0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 1k36 s GLN 18 Cb 0.00 -2.98 -0.05 0.00 1.00 0.00 0.00 33.01 30.98 1k36 s GLN 18 CO 0.00 0.57 0.23 0.00 -2.12 0.00 0.00 175.29 173.97 1k36 n ILE 20 N 2.80 0.00 -3.79 0.00 -0.00 -0.61 -3.69 119.36 114.07 1k36 n ILE 20 Ca -0.16 -0.43 -0.13 0.00 -0.00 0.00 0.00 62.75 62.03 1k36 n ILE 20 Cb 0.53 0.27 -0.14 0.00 -0.00 0.00 0.00 39.64 40.29 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 -4.56 -0.09 -0.05 4.28 6.14 0.70 -2.20 117.35 121.57 1k36 s TYR 21 Ca 0.07 0.30 -0.24 0.00 0.64 0.00 0.00 57.07 57.85 1k36 s TYR 21 Cb -0.00 -0.09 -0.04 0.00 0.42 0.00 0.00 41.96 42.25 1k36 s TYR 21 CO 0.05 -0.11 0.71 -0.51 0.64 0.00 0.00 175.55 176.34 1k36 s LEU 22 N 0.77 4.34 0.06 6.97 2.01 -1.08 -1.85 118.68 129.90 1k36 s LEU 22 Ca -0.06 1.24 0.17 0.00 0.01 0.00 0.00 54.13 55.49 1k36 s LEU 22 Cb -0.08 -3.11 -0.14 0.00 0.01 0.00 0.00 46.19 42.87 1k36 s LEU 22 CO -0.03 -0.09 0.80 0.55 1.01 0.00 0.00 176.35 178.59 1k36 n VAL 23 N 3.59 1.17 0.80 -1.59 3.14 -1.11 -2.53 118.33 121.80 1k36 n VAL 23 Ca -0.01 -0.69 0.13 0.00 -2.96 0.00 0.00 64.34 60.80 1k36 n VAL 23 Cb 0.51 -0.72 0.52 0.00 -1.06 0.00 0.00 33.84 33.09 1k36 n VAL 23 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1k36 n ASP 24 N -2.87 0.28 -2.94 6.55 8.00 -1.26 -4.04 116.55 120.26 1k36 n ASP 24 Ca -0.10 0.53 -0.15 0.00 0.71 0.00 0.00 54.79 55.79 1k36 n ASP 24 Cb 0.84 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1k36 n ASP 24 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 25 N -1.77 0.80 -0.70 -1.24 1.56 -1.24 -5.07 117.12 109.46 1k36 n MET 25 Ca 0.06 -2.43 -0.10 0.00 -0.27 0.00 0.00 57.70 54.96 1k36 n MET 25 Cb 0.34 -1.35 -0.11 0.00 2.15 0.00 0.00 33.22 34.26 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 1.29 -0.68 -3.55 6.12 3.41 -1.05 -4.60 113.62 114.56 1k36 n SER 26 Ca 0.14 -0.25 -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 64.24 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 3.27 1.01 -0.10 4.33 0.74 -1.23 -5.00 119.66 122.67 1k36 s GLN 27 Ca 0.61 0.34 -0.29 0.00 0.05 0.00 0.00 55.36 56.07 1k36 s GLN 27 Cb -0.40 0.48 -0.06 0.00 1.10 0.00 0.00 33.01 34.13 1k36 s GLN 27 CO 0.26 -0.29 1.86 0.54 -0.55 0.00 0.00 175.29 177.12 1k36 s ASN 28 N -0.98 6.28 -0.10 6.67 4.22 -1.26 -2.64 114.94 127.13 1k36 s ASN 28 Ca -0.10 2.15 -0.03 0.00 -2.14 0.00 0.00 52.86 52.75 1k36 s ASN 28 Cb -0.01 -2.53 -0.03 0.00 1.28 0.00 0.00 41.25 39.96 1k36 s ASN 28 CO 0.08 -1.26 0.02 -0.47 -2.04 0.00 0.00 177.10 173.43 1k36 s TYR 29 N 5.33 3.22 -0.07 1.54 6.14 -0.94 -4.93 117.35 127.64 1k36 s TYR 29 Ca 0.83 0.20 -0.01 0.00 0.64 0.00 0.00 57.07 58.73 1k36 s TYR 29 Cb -0.34 -1.84 0.03 0.00 0.42 0.00 0.00 41.96 40.22 1k36 s TYR 29 CO 0.35 0.44 0.00 0.00 0.64 0.00 0.00 175.55 176.98 1k36 s ARG 31 N 1.91 3.97 0.89 0.00 6.06 -0.97 -4.95 118.95 125.86 1k36 s ARG 31 Ca 0.04 0.10 -0.14 0.00 -2.50 0.00 0.00 55.73 53.23 1k36 s ARG 31 Cb -0.12 -3.68 0.14 0.00 0.06 0.00 0.00 34.95 31.35 1k36 s ARG 31 CO -0.05 -0.36 1.24 0.00 -2.50 0.00 0.00 175.30 173.63 1k36 s GLU 33 N -5.70 4.12 -0.69 0.00 2.12 0.25 -4.82 118.70 113.99 1k36 s GLU 33 Ca 0.68 1.20 -0.30 0.00 0.36 0.00 0.00 54.97 56.90 1k36 s GLU 33 Cb -0.08 -3.72 -0.15 0.00 0.26 0.00 0.00 34.13 30.45 1k36 s GLU 33 CO 0.51 -0.82 2.49 0.28 -0.54 0.00 0.00 175.26 177.18 1k36 n VAL 34 N 5.70 -0.00 0.00 3.70 0.31 -1.26 -1.93 118.33 124.85 1k36 n VAL 34 Ca 0.12 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1k36 n VAL 34 Cb 0.47 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 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 6.37 0.39 3.88 2.92 0.00 -1.26 -5.15 105.19 112.34 1k36 n GLY 35 Ca 0.51 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 3.08 -0.44 1.61 2.02 -0.81 -4.47 117.35 118.34 1k36 s TYR 36 Ca 0.00 0.92 0.04 0.00 -0.37 0.00 0.00 57.07 57.66 1k36 s TYR 36 Cb 0.00 -3.28 0.51 0.00 -0.40 0.00 0.00 41.96 38.80 1k36 s TYR 36 CO 0.00 -1.55 1.67 -2.37 -1.57 0.00 0.00 175.55 171.73 1k36 n THR 37 N -3.22 3.01 -3.43 -0.71 5.66 -1.17 -4.85 114.28 109.57 1k36 n THR 37 Ca 0.07 -2.95 -0.12 0.00 -3.05 0.00 0.00 64.05 58.00 1k36 n THR 37 Cb 0.59 -0.77 -0.02 0.00 -1.55 0.00 0.00 70.33 68.58 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 -2.30 -0.61 -0.18 1.09 0.00 -1.26 -5.00 107.32 99.06 1k36 s GLY 38 Ca 0.54 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.88 1k36 s GLY 38 CO 0.02 0.25 1.35 1.55 0.00 0.00 0.00 173.10 176.27 1k36 n VAL 39 N -0.25 1.85 -2.01 1.40 3.14 -1.26 -3.60 118.33 117.60 1k36 n VAL 39 Ca -0.17 -0.76 0.00 0.00 -2.96 0.00 0.00 64.34 60.45 1k36 n VAL 39 Cb 0.64 -0.77 -0.00 0.00 -1.06 0.00 0.00 33.84 32.66 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 -0.14 0.00 -1.79 1.45 0.63 -1.26 -4.95 116.66 110.61 1k36 n ARG 40 Ca 0.23 -0.74 0.00 0.00 -0.92 0.00 0.00 57.85 56.43 1k36 n ARG 40 Cb 0.96 -0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.53 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 1.33 0.00 -4.07 0.00 0.00 -1.26 -2.30 120.64 114.34 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 0.14 -0.12 -0.16 0.00 0.00 0.00 0.00 31.44 31.30 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 2.66 -0.44 4.31 -3.43 -1.26 -5.04 115.29 111.08 1k36 s HIS 43 Ca 0.00 -1.64 -0.29 0.00 -0.80 0.00 0.00 55.06 52.33 1k36 s HIS 43 Cb 0.00 -1.80 0.03 0.00 -1.43 0.00 0.00 32.58 29.37 1k36 s HIS 43 CO 0.00 -0.78 1.11 0.12 -2.00 0.00 0.00 174.74 173.19 1k36 s PHE 44 N 1.32 2.89 0.21 0.38 5.36 -1.26 -3.05 117.98 123.84 1k36 s PHE 44 Ca 0.02 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 56.84 1k36 s PHE 44 Cb -0.15 -4.25 0.15 0.00 -0.34 0.00 0.00 43.02 38.44 1k36 s PHE 44 CO -0.11 -1.15 1.49 0.35 -1.46 0.00 0.00 175.22 174.34 1k36 h PHE 45 N 8.97 0.21 -0.01 10.12 3.57 -1.89 -3.48 116.94 134.44 1k36 h PHE 45 Ca -0.23 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1k36 h PHE 45 Cb 1.06 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.77 1k36 h PHE 45 CO 0.94 0.83 0.00 1.28 -2.23 0.00 0.00 178.31 179.13