#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kgm n VAL 2 N 0.00 0.00 -2.96 3.84 0.31 -1.26 -4.05 118.33 114.21 1kgm n VAL 2 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1kgm n VAL 2 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1kgm n VAL 2 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1kgm n THR 3 N 0.00 -6.93 -2.89 2.52 -1.04 -1.26 -4.80 114.28 99.88 1kgm n THR 3 Ca 0.00 1.17 0.00 0.00 -2.04 0.00 0.00 64.05 63.18 1kgm n THR 3 Cb 0.00 -4.93 0.00 0.00 -1.82 0.00 0.00 70.33 63.58 1kgm n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1kgm s GLU 5 N -0.44 3.65 -0.51 0.00 8.01 -1.26 -4.09 118.70 124.05 1kgm s GLU 5 Ca 0.00 -0.19 -0.27 0.00 0.01 0.00 0.00 54.97 54.52 1kgm s GLU 5 Cb 0.00 -3.23 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 1kgm s GLU 5 CO 0.00 0.61 1.76 -1.25 0.01 0.00 0.00 175.26 176.39 1kgm s PRO 6 N -0.54 2.96 0.00 0.39 0.04 -1.25 -2.77 135.00 133.84 1kgm s PRO 6 Ca 0.12 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1kgm s PRO 6 Cb -0.12 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1kgm s PRO 6 CO 0.02 -2.32 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1kgm n GLY 7 N 5.53 1.97 0.00 0.56 0.00 -1.25 -4.97 105.19 107.03 1kgm n GLY 7 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kgm n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kgm n THR 8 N -0.23 0.00 -0.51 2.61 -1.04 -1.11 -5.06 114.28 108.94 1kgm n THR 8 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1kgm n THR 8 Cb 0.00 -0.29 -0.00 0.00 -1.82 0.00 0.00 70.33 68.22 1kgm n THR 8 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1kgm n THR 9 N -0.94 0.00 -3.30 12.58 5.66 -1.26 -4.87 114.28 122.15 1kgm n THR 9 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1kgm n THR 9 Cb 0.14 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 1kgm n THR 9 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1kgm n PHE 10 N -0.52 0.00 -4.00 1.09 1.16 -0.99 -4.79 117.46 109.40 1kgm n PHE 10 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 1kgm n PHE 10 Cb 0.03 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.74 1kgm n PHE 10 CO 0.00 0.00 0.00 0.21 -1.87 0.00 0.00 176.76 175.10 1kgm s LYS 11 N -0.60 2.16 -0.18 3.97 2.20 -1.26 -1.22 119.74 124.81 1kgm s LYS 11 Ca 0.00 -0.64 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 1kgm s LYS 11 Cb 0.00 -2.19 -0.15 0.00 -1.51 0.00 0.00 37.83 33.98 1kgm s LYS 11 CO 0.00 -0.31 -0.09 -3.47 -0.36 0.00 0.00 175.35 171.12 1kgm n ASP 12 N 4.75 2.04 0.00 1.43 -0.08 -1.22 -4.97 116.55 118.49 1kgm n ASP 12 Ca -0.16 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 1kgm n ASP 12 Cb 0.49 0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.06 1kgm n ASP 12 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1kgm n LYS 13 N -2.89 0.00 -0.15 -0.67 5.02 -1.26 -4.97 118.16 113.24 1kgm n LYS 13 Ca -0.31 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.02 1kgm n LYS 13 Cb 0.91 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 36.04 1kgm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kgm s ASN 15 N -0.93 0.99 -0.18 0.00 0.01 -1.26 -4.56 114.94 109.01 1kgm s ASN 15 Ca 0.17 -1.55 -0.06 0.00 -0.71 0.00 0.00 52.86 50.70 1kgm s ASN 15 Cb 0.09 0.52 -0.04 0.00 0.41 0.00 0.00 41.25 42.24 1kgm s ASN 15 CO 0.11 -1.04 0.03 -0.89 -1.51 0.00 0.00 177.10 173.80 1kgm s THR 16 N -3.63 4.48 -0.37 1.60 2.01 -1.26 -3.41 115.64 115.06 1kgm s THR 16 Ca 0.37 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1kgm s THR 16 Cb 0.03 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.55 1kgm s THR 16 CO 0.21 0.47 0.24 0.00 -0.69 0.00 0.00 174.62 174.84 1kgm s ARG 18 N 1.65 4.35 0.01 0.00 6.06 -1.26 -2.35 118.95 127.40 1kgm s ARG 18 Ca 0.04 1.81 -0.30 0.00 -2.50 0.00 0.00 55.73 54.78 1kgm s ARG 18 Cb -0.18 -3.49 -0.08 0.00 0.06 0.00 0.00 34.95 31.26 1kgm s ARG 18 CO 0.09 -0.44 1.86 0.00 -2.50 0.00 0.00 175.30 174.31 1kgm n GLY 20 N 4.40 -2.47 0.00 0.00 0.00 0.46 -3.84 105.19 103.74 1kgm n GLY 20 Ca 0.19 -0.60 0.10 0.00 0.00 0.00 0.00 46.02 45.70 1kgm n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kgm n SER 21 N -0.13 0.00 -2.64 1.61 2.88 -1.26 -3.35 113.62 110.72 1kgm n SER 21 Ca 0.02 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1kgm n SER 21 Cb 0.49 -0.43 0.04 0.00 -0.75 0.00 0.00 64.21 63.55 1kgm n SER 21 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1kgm n ASP 22 N -1.43 2.26 -0.41 -3.46 5.75 -1.26 -4.70 116.55 113.30 1kgm n ASP 22 Ca 0.06 -2.60 0.02 0.00 -0.01 0.00 0.00 54.79 52.27 1kgm n ASP 22 Cb 0.21 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kgm n GLY 23 N -0.45 -0.44 4.39 6.12 0.00 -1.21 -4.68 105.19 108.92 1kgm n GLY 23 Ca 0.15 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1kgm n GLY 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1kgm n LYS 24 N -1.06 -1.78 -3.64 1.61 5.02 -1.26 -4.63 118.16 112.42 1kgm n LYS 24 Ca 0.00 0.24 -0.06 0.00 -2.02 0.00 0.00 58.31 56.46 1kgm n LYS 24 Cb 0.07 -4.82 -0.07 0.00 -0.02 0.00 0.00 35.03 30.19 1kgm n LYS 24 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1kgm s SER 25 N -3.34 -0.54 -0.13 4.39 0.01 -1.26 -4.81 113.70 108.01 1kgm s SER 25 Ca 0.74 0.95 -0.09 0.00 1.31 0.00 0.00 55.95 58.86 1kgm s SER 25 Cb -0.42 1.09 0.04 0.00 0.21 0.00 0.00 66.02 66.94 1kgm s SER 25 CO 0.98 -0.16 0.32 0.00 0.41 0.00 0.00 173.24 174.80 1kgm s ALA 26 N 0.83 -0.79 -0.07 1.44 0.00 -1.26 0.17 121.76 122.09 1kgm s ALA 26 Ca -0.03 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1kgm s ALA 26 Cb -0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 23.12 22.11 1kgm s ALA 26 CO -0.11 -0.20 0.76 0.00 0.00 0.00 0.00 175.76 176.22 1kgm h ALA 27 N 6.53 0.01 -3.46 0.00 0.00 -1.83 -3.46 119.26 117.04 1kgm h ALA 27 Ca -0.34 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1kgm h ALA 27 Cb 1.18 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1kgm h ALA 27 CO 0.33 0.54 -0.73 0.00 0.00 0.00 0.00 179.25 179.38 1kgm h THR 29 N 3.08 1.16 0.00 0.00 1.35 -1.31 -3.48 112.91 113.72 1kgm h THR 29 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1kgm h THR 29 Cb 0.00 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1kgm h THR 29 CO 0.00 0.23 0.00 0.18 -0.25 0.00 0.00 175.52 175.68 1kgm n LEU 30 N -4.29 0.00 -0.67 3.87 4.77 -1.26 -4.81 117.00 114.61 1kgm n LEU 30 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1kgm n LEU 30 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1kgm n LEU 30 CO 0.37 0.00 -0.08 1.17 -1.33 0.00 0.00 177.39 177.53 1kgm n LYS 31 N 11.91 -1.74 -1.38 3.23 4.81 -1.26 -4.81 118.16 128.91 1kgm n LYS 31 Ca 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1kgm n LYS 31 Cb 0.00 -5.02 0.00 0.00 0.02 0.00 0.00 35.03 30.03 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1kgm n ALA 32 N 0.98 0.00 -1.66 3.14 0.00 -1.26 -5.12 120.51 116.59 1kgm n ALA 32 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1kgm n ALA 32 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1kgm n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm h PRO 34 N 2.61 0.31 0.00 0.00 0.13 -2.00 -3.51 132.00 129.54 1kgm h PRO 34 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1kgm h PRO 34 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1kgm h PRO 34 CO 0.00 0.82 0.00 0.00 -0.23 0.00 0.00 178.00 178.59