#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 4.80 -4.86 4.52 7.64 -1.26 -5.06 113.62 119.41 1k36 n SER 2 Ca 0.00 -3.73 -0.32 0.00 1.01 0.00 0.00 58.87 55.84 1k36 n SER 2 Cb 0.00 -0.44 -0.01 0.00 -1.01 0.00 0.00 64.21 62.75 1k36 n SER 2 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1k36 s ILE 3 N -5.29 4.61 0.00 0.44 2.07 -1.26 -4.34 121.20 117.43 1k36 s ILE 3 Ca 0.49 1.04 0.00 0.00 -1.41 0.00 0.00 60.65 60.77 1k36 s ILE 3 Cb 0.40 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 39.20 1k36 s ILE 3 CO -0.13 -0.92 0.00 1.07 -1.91 0.00 0.00 174.94 173.04 1k36 n THR 4 N -2.18 0.00 -3.27 4.00 5.66 -1.11 -4.89 114.28 112.48 1k36 n THR 4 Ca 0.06 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.85 1k36 n THR 4 Cb 0.54 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.36 1k36 n THR 4 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1k36 s LYS 5 N 1.62 2.29 0.00 1.09 1.02 -1.26 -1.59 119.74 122.90 1k36 s LYS 5 Ca 0.00 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.24 1k36 s LYS 5 Cb 0.00 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1k36 s LYS 5 CO 0.00 -0.80 0.00 0.00 -0.92 0.00 0.00 175.35 173.63 1k36 n SER 7 N 0.00 1.13 -0.63 0.00 7.64 -1.26 -5.00 113.62 115.50 1k36 n SER 7 Ca 0.00 -1.01 0.03 0.00 1.01 0.00 0.00 58.87 58.91 1k36 n SER 7 Cb 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1k36 n SER 7 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1k36 n SER 8 N -1.88 1.76 -0.41 6.43 2.88 -1.26 -3.60 113.62 117.54 1k36 n SER 8 Ca -0.00 -2.10 0.05 0.00 -1.33 0.00 0.00 58.87 55.49 1k36 n SER 8 Cb 0.00 -0.30 0.08 0.00 -0.75 0.00 0.00 64.21 63.24 1k36 n SER 8 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k36 n ASP 9 N 0.22 1.24 0.00 -3.46 8.00 -1.26 -4.71 116.55 116.59 1k36 n ASP 9 Ca 0.09 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.95 1k36 n ASP 9 Cb 0.33 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 1k36 n ASP 9 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 1k36 n MET 10 N -0.67 0.27 -1.21 -1.24 1.56 -1.24 -4.80 117.12 109.78 1k36 n MET 10 Ca 0.09 -0.61 -0.19 0.00 -0.27 0.00 0.00 57.70 56.71 1k36 n MET 10 Cb 0.71 -0.82 -0.09 0.00 2.15 0.00 0.00 33.22 35.17 1k36 n MET 10 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 1k36 n ASN 11 N -0.11 5.96 0.00 6.12 0.23 -1.26 -3.89 115.26 122.30 1k36 n ASN 11 Ca 0.00 -2.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.17 1k36 n ASN 11 Cb 0.18 -1.28 0.00 0.00 -2.08 0.00 0.00 39.78 36.59 1k36 n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k36 n GLY 12 N 1.47 -0.06 0.18 4.83 0.00 -1.26 -4.79 105.19 105.56 1k36 n GLY 12 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.12 0.00 -3.69 1.61 9.36 -1.25 -4.90 117.16 118.17 1k36 n TYR 13 Ca 0.00 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.84 1k36 n TYR 13 Cb 0.16 -0.94 -0.12 0.00 -0.63 0.00 0.00 39.34 37.82 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 4.96 2.48 -3.40 0.00 4.77 -0.92 -4.48 117.00 120.40 1k36 n LEU 15 Ca -0.14 0.22 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 1k36 n LEU 15 Cb 0.49 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.57 1k36 n LEU 15 CO 0.33 0.81 0.69 1.41 -1.33 0.00 0.00 177.39 179.31 1k36 n HIS 16 N -3.44 3.32 -2.71 -1.77 8.25 -1.22 -4.99 115.22 112.67 1k36 n HIS 16 Ca -0.31 -3.36 0.00 0.00 -0.26 0.00 0.00 57.72 53.79 1k36 n HIS 16 Cb 1.05 -0.84 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 0.22 1.44 3.22 -1.41 0.00 -1.26 -2.19 105.19 105.20 1k36 n GLY 17 Ca 0.35 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 0.91 2.13 0.28 1.61 -0.21 -0.65 -4.93 119.66 118.80 1k36 s GLN 18 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 55.36 54.41 1k36 s GLN 18 Cb 0.00 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 32.06 1k36 s GLN 18 CO 0.00 0.35 0.77 0.00 -2.12 0.00 0.00 175.29 174.29 1k36 n ILE 20 N 0.24 0.00 -3.80 0.00 -5.35 -0.44 -4.22 119.36 105.78 1k36 n ILE 20 Ca 0.01 -0.07 -0.14 0.00 -0.27 0.00 0.00 62.75 62.28 1k36 n ILE 20 Cb 0.52 0.06 -0.15 0.00 -1.74 0.00 0.00 39.64 38.33 1k36 n ILE 20 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1k36 s TYR 21 N -7.86 -0.03 0.00 4.28 6.14 -0.62 -2.46 117.35 116.80 1k36 s TYR 21 Ca 0.01 0.17 -0.23 0.00 0.64 0.00 0.00 57.07 57.66 1k36 s TYR 21 Cb -0.00 -0.12 -0.05 0.00 0.42 0.00 0.00 41.96 42.21 1k36 s TYR 21 CO 0.01 -0.08 0.69 -0.51 0.64 0.00 0.00 175.55 176.30 1k36 s LEU 22 N 0.70 4.41 0.06 6.97 2.01 -1.07 -2.74 118.68 129.02 1k36 s LEU 22 Ca -0.06 1.28 0.17 0.00 0.01 0.00 0.00 54.13 55.54 1k36 s LEU 22 Cb -0.08 -3.08 -0.13 0.00 0.01 0.00 0.00 46.19 42.90 1k36 s LEU 22 CO -0.02 0.02 0.80 0.55 1.01 0.00 0.00 176.35 178.71 1k36 n VAL 23 N 2.98 1.11 0.54 -1.59 3.14 -1.26 -2.56 118.33 120.69 1k36 n VAL 23 Ca -0.04 -0.68 0.13 0.00 -2.96 0.00 0.00 64.34 60.79 1k36 n VAL 23 Cb 0.51 -0.67 0.39 0.00 -1.06 0.00 0.00 33.84 33.01 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 0.00 0.00 -1.26 6.55 3.04 -1.92 -3.35 116.42 119.48 1k36 h ASP 24 Ca -0.16 0.00 -0.42 0.00 -3.24 0.00 0.00 57.03 53.21 1k36 h ASP 24 Cb 1.54 0.00 -0.30 0.00 -1.04 0.00 0.00 39.33 39.53 1k36 h ASP 24 CO 0.04 0.00 -0.89 0.23 -2.04 0.00 0.00 179.24 176.58 1k36 n MET 25 N -2.38 0.81 -0.66 4.15 2.81 -1.25 -5.06 117.12 115.54 1k36 n MET 25 Ca 0.05 -2.72 -0.09 0.00 -1.81 0.00 0.00 57.70 53.13 1k36 n MET 25 Cb 0.42 -1.35 -0.09 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.14 -0.70 -3.50 7.83 3.41 -1.06 -4.61 113.62 116.13 1k36 n SER 26 Ca 0.17 -0.30 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 1k36 n SER 26 Cb 0.60 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 3.08 1.94 0.19 4.33 -2.07 -1.23 -5.00 119.66 120.89 1k36 s GLN 27 Ca 0.53 -1.15 -0.30 0.00 -1.82 0.00 0.00 55.36 52.62 1k36 s GLN 27 Cb -0.34 0.61 -0.08 0.00 -1.09 0.00 0.00 33.01 32.11 1k36 s GLN 27 CO 0.23 -0.90 1.04 1.21 -1.32 0.00 0.00 175.29 175.55 1k36 s ASN 28 N -2.98 7.39 0.07 12.60 2.47 -1.26 -2.60 114.94 130.62 1k36 s ASN 28 Ca 0.13 2.02 0.02 0.00 0.42 0.00 0.00 52.86 55.45 1k36 s ASN 28 Cb -0.06 -2.60 -0.03 0.00 -1.45 0.00 0.00 41.25 37.11 1k36 s ASN 28 CO 0.09 -0.10 -0.07 -0.47 -3.72 0.00 0.00 177.10 172.82 1k36 s TYR 29 N -0.49 0.78 -0.21 0.43 6.14 -1.03 -4.86 117.35 118.11 1k36 s TYR 29 Ca 0.47 -0.68 -0.09 0.00 0.64 0.00 0.00 57.07 57.41 1k36 s TYR 29 Cb -0.28 -0.46 0.09 0.00 0.42 0.00 0.00 41.96 41.73 1k36 s TYR 29 CO 0.34 -0.11 0.47 0.00 0.64 0.00 0.00 175.55 176.89 1k36 s ARG 31 N 2.24 2.83 0.00 0.00 6.06 -0.93 -4.91 118.95 124.25 1k36 s ARG 31 Ca -0.05 -1.29 0.00 0.00 -2.50 0.00 0.00 55.73 51.89 1k36 s ARG 31 Cb -0.10 -3.92 0.00 0.00 0.06 0.00 0.00 34.95 30.99 1k36 s ARG 31 CO -0.14 -0.90 0.00 0.00 -2.50 0.00 0.00 175.30 171.76 1k36 s GLU 33 N 0.01 4.33 0.04 0.00 2.12 -0.93 -4.87 118.70 119.39 1k36 s GLU 33 Ca 0.00 1.49 0.09 0.00 0.36 0.00 0.00 54.97 56.90 1k36 s GLU 33 Cb 0.00 -3.61 0.38 0.00 0.26 0.00 0.00 34.13 31.16 1k36 s GLU 33 CO 0.00 -0.49 1.27 0.28 -0.54 0.00 0.00 175.26 175.78 1k36 n VAL 34 N 4.90 1.47 0.56 3.70 0.31 -1.26 -1.63 118.33 126.39 1k36 n VAL 34 Ca 0.11 0.40 0.06 0.00 -0.01 0.00 0.00 64.34 64.91 1k36 n VAL 34 Cb 0.47 -1.30 0.31 0.00 -0.91 0.00 0.00 33.84 32.41 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 -0.81 -0.79 3.88 2.92 0.00 -1.26 -4.72 105.19 104.40 1k36 n GLY 35 Ca 0.01 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.71 3.23 -0.38 1.61 1.51 -0.65 -4.27 117.35 115.69 1k36 s TYR 36 Ca 0.10 1.03 0.06 0.00 -1.01 0.00 0.00 57.07 57.25 1k36 s TYR 36 Cb 0.09 -3.12 0.50 0.00 -0.11 0.00 0.00 41.96 39.32 1k36 s TYR 36 CO 0.21 -1.31 1.56 -2.37 -1.11 0.00 0.00 175.55 172.53 1k36 n THR 37 N -3.09 2.83 -3.43 -0.71 5.66 -1.17 -4.82 114.28 109.55 1k36 n THR 37 Ca 0.07 -3.02 -0.12 0.00 -3.05 0.00 0.00 64.05 57.93 1k36 n THR 37 Cb 0.57 -0.67 -0.02 0.00 -1.55 0.00 0.00 70.33 68.66 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 -2.50 -0.60 -0.02 1.09 0.00 -1.26 -5.00 107.32 99.02 1k36 s GLY 38 Ca 0.51 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.86 1k36 s GLY 38 CO 0.02 0.22 1.01 1.55 0.00 0.00 0.00 173.10 175.90 1k36 n VAL 39 N -0.30 0.33 0.13 1.40 3.14 -1.26 -3.29 118.33 118.47 1k36 n VAL 39 Ca -0.16 -0.24 0.06 0.00 -2.96 0.00 0.00 64.34 61.03 1k36 n VAL 39 Cb 0.64 -0.06 -0.09 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.02 1.03 -3.18 1.45 0.63 -1.26 -5.03 116.66 110.32 1k36 n ARG 40 Ca 0.06 -0.08 -0.14 0.00 -0.92 0.00 0.00 57.85 56.76 1k36 n ARG 40 Cb 0.23 -1.23 0.07 0.00 0.45 0.00 0.00 32.46 31.99 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 -3.24 4.73 -3.95 0.00 2.13 -1.26 -2.17 120.64 116.87 1k36 n GLU 42 Ca -0.09 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.44 1k36 n GLU 42 Cb 0.62 -0.57 -0.17 0.00 0.27 0.00 0.00 31.44 31.59 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 -0.36 1.76 -0.52 4.31 -3.43 -1.26 -5.05 115.29 110.75 1k36 s HIS 43 Ca 0.00 -0.94 -0.27 0.00 -0.80 0.00 0.00 55.06 53.05 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 -0.58 1.09 0.12 -2.00 0.00 0.00 174.74 173.37 1k36 s PHE 44 N 1.62 2.76 -0.17 0.38 5.36 -1.26 -3.03 117.98 123.65 1k36 s PHE 44 Ca 0.05 0.46 0.26 0.00 -0.96 0.00 0.00 56.93 56.74 1k36 s PHE 44 Cb -0.13 -4.34 1.28 0.00 -0.34 0.00 0.00 43.02 39.49 1k36 s PHE 44 CO -0.09 -1.36 1.80 0.27 -1.46 0.00 0.00 175.22 174.38 1k36 h PHE 45 N 9.32 0.00 -0.03 10.12 -5.15 -1.88 -3.48 116.94 125.84 1k36 h PHE 45 Ca -0.24 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.53 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 0.97 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 178.56