#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 0.36 1.00 6.55 0.15 -1.26 -5.11 113.70 115.40 1k36 s SER 2 Ca 0.00 -2.06 -0.14 0.00 0.70 0.00 0.00 55.95 54.45 1k36 s SER 2 Cb 0.00 0.70 0.19 0.00 -1.71 0.00 0.00 66.02 65.20 1k36 s SER 2 CO 0.00 -0.17 1.12 0.00 1.20 0.00 0.00 173.24 175.39 1k36 n ILE 3 N 3.43 0.00 -3.61 6.45 3.06 -1.26 -3.58 119.36 123.85 1k36 n ILE 3 Ca 0.19 -0.83 -0.11 0.00 -2.50 0.00 0.00 62.75 59.51 1k36 n ILE 3 Cb 0.50 -1.59 -0.04 0.00 0.54 0.00 0.00 39.64 39.05 1k36 n ILE 3 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1k36 s THR 4 N -3.45 0.05 0.29 9.51 2.01 -0.68 -4.88 115.64 118.50 1k36 s THR 4 Ca 0.63 -0.49 0.08 0.00 0.31 0.00 0.00 61.69 62.22 1k36 s THR 4 Cb -0.02 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1k36 s THR 4 CO 0.45 -0.22 0.11 -0.54 -0.69 0.00 0.00 174.62 173.72 1k36 s LYS 5 N -3.80 2.50 0.00 4.92 1.02 -1.26 0.24 119.74 123.35 1k36 s LYS 5 Ca 0.04 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.66 1k36 s LYS 5 Cb 0.01 -2.28 0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1k36 s LYS 5 CO -0.11 0.28 0.00 0.00 -0.92 0.00 0.00 175.35 174.60 1k36 n SER 7 N 0.00 0.55 -0.05 0.00 2.88 -1.26 -5.03 113.62 110.71 1k36 n SER 7 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1k36 n SER 7 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1k36 n SER 7 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1k36 h SER 8 N 0.00 0.00 -0.52 -3.46 0.02 -2.01 -3.36 113.55 104.21 1k36 h SER 8 Ca 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1k36 h SER 8 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 1k36 h SER 8 CO 0.00 0.50 0.29 -0.67 -1.14 0.00 0.00 176.83 175.81 1k36 n ASP 9 N -4.45 3.51 -0.00 3.07 2.03 -1.26 -3.88 116.55 115.57 1k36 n ASP 9 Ca -0.01 -2.84 0.06 0.00 0.52 0.00 0.00 54.79 52.52 1k36 n ASP 9 Cb 0.05 -0.68 -0.07 0.00 -0.72 0.00 0.00 41.12 39.71 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 -0.26 2.63 -3.69 -0.67 1.56 -1.26 -4.85 117.12 110.59 1k36 n MET 10 Ca 0.30 -0.02 -0.30 0.00 -0.27 0.00 0.00 57.70 57.42 1k36 n MET 10 Cb 1.09 -1.09 -0.14 0.00 2.15 0.00 0.00 33.22 35.22 1k36 n MET 10 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 1k36 s ASN 11 N -2.34 3.82 -0.54 6.12 4.22 -1.25 -4.82 114.94 120.15 1k36 s ASN 11 Ca 0.03 -1.88 0.04 0.00 -2.14 0.00 0.00 52.86 48.91 1k36 s ASN 11 Cb 0.09 -0.82 0.39 0.00 1.28 0.00 0.00 41.25 42.18 1k36 s ASN 11 CO 0.48 -0.38 1.19 0.61 -2.04 0.00 0.00 177.10 176.97 1k36 n GLY 12 N 4.52 5.87 1.13 0.45 0.00 -1.26 -4.76 105.19 111.15 1k36 n GLY 12 Ca 0.01 -2.74 0.00 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.42 -0.22 -3.01 1.61 9.36 -1.26 -5.00 117.16 118.22 1k36 n TYR 13 Ca 0.39 0.04 -0.41 0.00 3.32 0.00 0.00 57.90 61.24 1k36 n TYR 13 Cb 0.54 0.05 -0.05 0.00 -0.63 0.00 0.00 39.34 39.25 1k36 n TYR 13 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1k36 h LEU 15 N 9.18 0.61 -6.94 0.00 3.38 -1.54 -3.39 115.31 116.61 1k36 h LEU 15 Ca -0.25 -0.88 -0.64 0.00 0.09 0.00 0.00 57.88 56.19 1k36 h LEU 15 Cb 1.11 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.26 1k36 h LEU 15 CO 0.83 1.44 -0.41 1.41 0.09 0.00 0.00 178.44 181.81 1k36 n HIS 16 N -4.03 3.55 -3.61 1.13 8.25 -1.17 -5.03 115.22 114.32 1k36 n HIS 16 Ca -0.14 -4.18 0.00 0.00 -0.26 0.00 0.00 57.72 53.15 1k36 n HIS 16 Cb 0.86 -0.76 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1k36 n HIS 16 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1k36 s GLY 17 N -1.39 -0.39 0.16 -1.41 0.00 -1.26 -1.75 107.32 101.28 1k36 s GLY 17 Ca 0.29 0.93 -0.14 0.00 0.00 0.00 0.00 44.72 45.80 1k36 s GLY 17 CO -0.12 0.22 0.56 1.20 0.00 0.00 0.00 173.10 174.97 1k36 s GLN 18 N -2.39 3.98 0.13 2.90 -1.52 0.18 -4.83 119.66 118.11 1k36 s GLN 18 Ca 0.13 0.49 -0.18 0.00 -1.95 0.00 0.00 55.36 53.86 1k36 s GLN 18 Cb 0.04 -2.89 -0.07 0.00 -0.22 0.00 0.00 33.01 29.87 1k36 s GLN 18 CO -0.04 0.45 0.59 0.00 -0.25 0.00 0.00 175.29 176.04 1k36 n ILE 20 N 1.21 0.00 -3.67 0.00 5.41 0.11 -4.49 119.36 117.93 1k36 n ILE 20 Ca -0.07 -0.60 -0.09 0.00 1.00 0.00 0.00 62.75 63.00 1k36 n ILE 20 Cb 0.51 0.55 -0.10 0.00 -0.71 0.00 0.00 39.64 39.90 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 -5.08 -0.78 0.00 1.39 6.14 0.14 -1.83 117.35 117.32 1k36 s TYR 21 Ca 0.10 1.52 -0.28 0.00 0.64 0.00 0.00 57.07 59.05 1k36 s TYR 21 Cb -0.02 0.33 -0.04 0.00 0.42 0.00 0.00 41.96 42.65 1k36 s TYR 21 CO 0.07 -0.45 0.88 -0.51 0.64 0.00 0.00 175.55 176.18 1k36 s LEU 22 N 2.24 4.38 0.10 6.97 2.01 -1.06 -1.69 118.68 131.64 1k36 s LEU 22 Ca -0.04 1.53 0.19 0.00 0.01 0.00 0.00 54.13 55.82 1k36 s LEU 22 Cb -0.11 -3.41 -0.10 0.00 0.01 0.00 0.00 46.19 42.58 1k36 s LEU 22 CO -0.13 -0.17 0.88 0.55 1.01 0.00 0.00 176.35 178.48 1k36 n VAL 23 N 3.63 0.98 0.90 -1.59 3.14 -1.23 -2.80 118.33 121.37 1k36 n VAL 23 Ca 0.03 -0.64 0.13 0.00 -2.96 0.00 0.00 64.34 60.89 1k36 n VAL 23 Cb 0.51 -0.59 0.56 0.00 -1.06 0.00 0.00 33.84 33.26 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 -2.81 0.04 -2.95 6.55 9.92 -1.26 -4.00 116.55 122.04 1k36 n ASP 24 Ca -0.07 0.50 -0.15 0.00 -0.53 0.00 0.00 54.79 54.55 1k36 n ASP 24 Cb 0.74 -0.51 -0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1k36 n ASP 24 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1k36 n MET 25 N -1.54 0.77 -0.66 -1.24 2.81 -1.24 -5.07 117.12 110.97 1k36 n MET 25 Ca 0.06 -2.43 -0.08 0.00 -1.81 0.00 0.00 57.70 53.44 1k36 n MET 25 Cb 0.32 -1.35 -0.08 0.00 -0.71 0.00 0.00 33.22 31.39 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 1.42 -0.76 -3.52 7.83 3.41 -1.12 -4.61 113.62 116.27 1k36 n SER 26 Ca 0.15 -0.36 -0.15 0.00 -0.26 0.00 0.00 58.87 58.25 1k36 n SER 26 Cb 0.59 -0.26 -0.05 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 3.10 1.10 0.07 4.33 0.74 -1.22 -5.02 119.66 122.76 1k36 s GLN 27 Ca 0.48 -0.09 -0.31 0.00 0.05 0.00 0.00 55.36 55.49 1k36 s GLN 27 Cb -0.31 0.51 -0.08 0.00 1.10 0.00 0.00 33.01 34.24 1k36 s GLN 27 CO 0.21 -0.40 1.48 -0.80 -0.55 0.00 0.00 175.29 175.22 1k36 s ASN 28 N -1.84 6.75 -0.17 6.67 0.02 -1.26 -2.56 114.94 122.55 1k36 s ASN 28 Ca -0.06 2.33 -0.00 0.00 -1.02 0.00 0.00 52.86 54.11 1k36 s ASN 28 Cb -0.01 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.69 1k36 s ASN 28 CO 0.00 -0.75 -0.15 -0.47 0.02 0.00 0.00 177.10 175.75 1k36 s TYR 29 N 1.87 2.80 -0.15 2.20 6.14 -0.76 -4.89 117.35 124.56 1k36 s TYR 29 Ca 0.67 -1.15 0.00 0.00 0.64 0.00 0.00 57.07 57.23 1k36 s TYR 29 Cb -0.37 -1.92 0.03 0.00 0.42 0.00 0.00 41.96 40.12 1k36 s TYR 29 CO 0.30 -0.55 -0.12 0.00 0.64 0.00 0.00 175.55 175.82 1k36 s ARG 31 N 1.52 4.40 0.64 0.00 6.06 -0.34 -4.84 118.95 126.39 1k36 s ARG 31 Ca 0.03 1.42 -0.11 0.00 -2.50 0.00 0.00 55.73 54.58 1k36 s ARG 31 Cb -0.14 -3.56 -0.03 0.00 0.06 0.00 0.00 34.95 31.29 1k36 s ARG 31 CO -0.10 -0.36 1.04 0.00 -2.50 0.00 0.00 175.30 173.38 1k36 s GLU 33 N -5.18 3.70 -0.97 0.00 2.12 -0.72 -4.84 118.70 112.81 1k36 s GLU 33 Ca 0.56 0.68 -0.20 0.00 0.36 0.00 0.00 54.97 56.37 1k36 s GLU 33 Cb -0.11 -3.93 -0.27 0.00 0.26 0.00 0.00 34.13 30.08 1k36 s GLU 33 CO 0.54 -1.41 2.40 0.28 -0.54 0.00 0.00 175.26 176.53 1k36 n VAL 34 N 6.86 -0.00 0.00 3.70 0.31 -1.26 -1.46 118.33 126.48 1k36 n VAL 34 Ca 0.13 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1k36 n VAL 34 Cb 0.49 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 6.00 0.31 3.89 2.92 0.00 -1.26 -5.15 105.19 111.90 1k36 n GLY 35 Ca 0.65 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 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 3.22 -0.25 1.61 1.51 -0.53 -3.94 117.35 118.96 1k36 s TYR 36 Ca 0.00 0.97 0.09 0.00 -1.01 0.00 0.00 57.07 57.12 1k36 s TYR 36 Cb 0.00 -3.19 0.44 0.00 -0.11 0.00 0.00 41.96 39.11 1k36 s TYR 36 CO 0.00 -1.35 1.20 -2.37 -1.11 0.00 0.00 175.55 171.92 1k36 n THR 37 N -3.10 2.35 -4.01 -0.71 5.66 -1.17 -4.80 114.28 108.51 1k36 n THR 37 Ca 0.07 -3.73 -0.08 0.00 -3.05 0.00 0.00 64.05 57.26 1k36 n THR 37 Cb 0.58 -0.68 -0.10 0.00 -1.55 0.00 0.00 70.33 68.57 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 -3.42 0.30 -0.03 1.09 0.00 -1.26 -5.01 107.32 98.99 1k36 s GLY 38 Ca 0.45 -0.78 0.05 0.00 0.00 0.00 0.00 44.72 44.44 1k36 s GLY 38 CO -0.01 -0.87 1.02 -0.62 0.00 0.00 0.00 173.10 172.61 1k36 n VAL 39 N 1.01 0.45 0.00 1.40 0.31 -1.26 -3.50 118.33 116.74 1k36 n VAL 39 Ca -0.20 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1k36 n VAL 39 Cb 0.57 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 1k36 n VAL 39 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1k36 n ARG 40 N 0.11 3.28 -2.03 5.55 0.00 -1.26 -5.06 116.66 117.24 1k36 n ARG 40 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.90 1k36 n ARG 40 Cb 0.30 -0.56 0.00 0.00 0.00 0.00 0.00 32.46 32.20 1k36 n ARG 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1k36 n GLU 42 N -0.02 0.00 -4.03 0.00 0.00 -1.26 -2.06 120.64 113.27 1k36 n GLU 42 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 56.88 1k36 n GLU 42 Cb 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 31.44 31.17 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 2.34 -0.63 4.31 -3.43 -1.26 -4.99 115.29 110.62 1k36 s HIS 43 Ca 0.00 -1.38 -0.27 0.00 -0.80 0.00 0.00 55.06 52.60 1k36 s HIS 43 Cb 0.00 -1.66 0.03 0.00 -1.43 0.00 0.00 32.58 29.52 1k36 s HIS 43 CO 0.00 -0.71 1.20 0.12 -2.00 0.00 0.00 174.74 173.35 1k36 s PHE 44 N 1.43 2.52 0.41 0.38 5.36 -1.26 -3.06 117.98 123.76 1k36 s PHE 44 Ca 0.04 0.22 0.34 0.00 -0.96 0.00 0.00 56.93 56.56 1k36 s PHE 44 Cb -0.14 -4.52 1.71 0.00 -0.34 0.00 0.00 43.02 39.74 1k36 s PHE 44 CO -0.11 -1.73 2.14 0.27 -1.46 0.00 0.00 175.22 174.33 1k36 h PHE 45 N 9.68 0.00 -0.01 10.12 -5.15 -1.87 -3.48 116.94 126.23 1k36 h PHE 45 Ca -0.26 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.51 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 1.06 0.05 0.00 1.28 -2.00 0.00 0.00 178.31 178.70