#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 -0.84 -1.53 2.62 0.31 -1.26 -4.04 118.33 113.59 1kgm n VAL 2 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 1kgm n VAL 2 Cb 0.00 -1.91 -0.15 0.00 -0.91 0.00 0.00 33.84 30.86 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 -3.66 0.00 -3.79 2.52 -1.04 -1.26 -4.11 114.28 102.94 1kgm n THR 3 Ca -0.10 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.37 1kgm n THR 3 Cb 0.59 -0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 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 -3.45 4.37 0.05 0.00 2.02 -1.26 -4.57 118.70 115.86 1kgm s GLU 5 Ca 0.12 0.85 -0.31 0.00 0.02 0.00 0.00 54.97 55.66 1kgm s GLU 5 Cb -0.03 -3.33 -0.07 0.00 0.10 0.00 0.00 34.13 30.80 1kgm s GLU 5 CO 0.04 0.39 1.52 -1.25 0.02 0.00 0.00 175.26 175.98 1kgm s PRO 6 N -0.31 4.24 0.00 0.39 0.04 -1.26 -3.22 135.00 134.89 1kgm s PRO 6 Ca 0.33 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1kgm s PRO 6 Cb -0.19 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1kgm s PRO 6 CO 0.20 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1kgm n GLY 7 N 3.80 1.57 0.00 0.56 0.00 -1.04 -4.93 105.19 105.15 1kgm n GLY 7 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.12 0.00 -0.12 2.61 -1.04 -1.20 -5.03 114.28 108.39 1kgm n THR 8 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1kgm n THR 8 Cb 0.07 0.77 -0.00 0.00 -1.82 0.00 0.00 70.33 69.35 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 0.00 0.00 0.00 12.58 5.66 -1.26 -4.81 114.28 126.45 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 0.13 -0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -0.16 0.00 -3.08 1.09 1.16 -0.99 -4.65 117.46 110.84 1kgm n PHE 10 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1kgm n PHE 10 Cb 0.00 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.81 1kgm n PHE 10 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1kgm s LYS 11 N -2.00 4.38 0.00 3.97 -0.14 -1.26 -1.41 119.74 123.29 1kgm s LYS 11 Ca 0.00 0.97 0.00 0.00 -1.36 0.00 0.00 55.97 55.58 1kgm s LYS 11 Cb 0.00 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 1kgm s LYS 11 CO 0.00 0.52 0.00 -3.47 -0.76 0.00 0.00 175.35 171.64 1kgm n ASP 12 N 1.28 -0.00 0.00 2.83 2.03 -1.26 -4.81 116.55 116.62 1kgm n ASP 12 Ca -0.05 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.27 1kgm n ASP 12 Cb 0.50 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1kgm n ASP 12 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1kgm n LYS 13 N -2.51 0.67 0.00 -0.67 5.02 -1.26 -4.97 118.16 114.42 1kgm n LYS 13 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 1kgm n LYS 13 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 1kgm n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kgm n ASN 15 N -1.33 0.00 -3.77 0.00 5.03 -1.26 -5.03 115.26 108.89 1kgm n ASN 15 Ca 0.05 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.54 1kgm n ASN 15 Cb 0.10 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 38.87 1kgm n ASN 15 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1kgm s THR 16 N 0.00 0.00 -0.23 3.41 2.01 -1.26 -4.66 115.64 114.91 1kgm s THR 16 Ca 0.00 -0.07 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1kgm s THR 16 Cb 0.00 -2.52 0.11 0.00 0.01 0.00 0.00 72.50 70.09 1kgm s THR 16 CO 0.00 0.00 0.26 0.00 -0.69 0.00 0.00 174.62 174.19 1kgm s ARG 18 N 2.36 3.84 -0.43 0.00 6.06 -1.26 -2.33 118.95 127.19 1kgm s ARG 18 Ca 0.08 2.28 -0.28 0.00 -2.50 0.00 0.00 55.73 55.32 1kgm s ARG 18 Cb -0.15 -2.72 0.02 0.00 0.06 0.00 0.00 34.95 32.17 1kgm s ARG 18 CO -0.18 -0.64 1.04 0.00 -2.50 0.00 0.00 175.30 173.02 1kgm n GLY 20 N 4.65 -3.07 0.03 0.00 0.00 0.73 -2.50 105.19 105.03 1kgm n GLY 20 Ca 0.10 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.83 1kgm n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1kgm n SER 21 N 1.94 0.48 -0.99 1.61 7.64 -1.26 -3.58 113.62 119.45 1kgm n SER 21 Ca -0.01 0.10 0.10 0.00 1.01 0.00 0.00 58.87 60.08 1kgm n SER 21 Cb 0.68 -0.04 0.18 0.00 -1.01 0.00 0.00 64.21 64.02 1kgm n SER 21 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1kgm n ASP 22 N -1.75 3.18 -0.88 6.43 2.03 -1.26 -4.84 116.55 119.45 1kgm n ASP 22 Ca 0.05 -1.93 0.10 0.00 0.52 0.00 0.00 54.79 53.54 1kgm n ASP 22 Cb 0.38 -0.20 -0.06 0.00 -0.72 0.00 0.00 41.12 40.52 1kgm n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kgm n GLY 23 N 1.27 -3.13 2.61 0.27 0.00 -1.24 -4.79 105.19 100.19 1kgm n GLY 23 Ca 0.16 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.35 -1.39 -3.67 1.61 4.76 -1.26 -4.93 118.16 109.94 1kgm n LYS 24 Ca -0.06 1.01 -0.09 0.00 -2.87 0.00 0.00 58.31 56.30 1kgm n LYS 24 Cb 0.41 -5.30 -0.09 0.00 -1.84 0.00 0.00 35.03 28.21 1kgm n LYS 24 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1kgm s SER 25 N -2.64 -0.75 0.20 4.39 0.01 -1.26 -4.47 113.70 109.19 1kgm s SER 25 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1kgm s SER 25 Cb 0.00 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.33 1kgm s SER 25 CO 0.00 -0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.43 1kgm n ALA 26 N 4.29 0.17 0.00 1.44 0.00 -1.26 0.26 120.51 125.41 1kgm n ALA 26 Ca -0.22 -0.88 -0.01 0.00 0.00 0.00 0.00 53.44 52.33 1kgm n ALA 26 Cb 0.57 0.48 -0.00 0.00 0.00 0.00 0.00 19.45 20.50 1kgm n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm n ALA 27 N -2.38 2.90 -2.08 0.00 0.00 -0.61 -4.69 120.51 113.65 1kgm n ALA 27 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1kgm n ALA 27 Cb 0.25 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.14 1kgm n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm h THR 29 N 3.72 0.24 -6.41 0.00 1.03 -1.97 -3.47 112.91 106.06 1kgm h THR 29 Ca 0.00 -0.10 -0.36 0.00 -0.01 0.00 0.00 66.41 65.94 1kgm h THR 29 Cb 0.00 1.08 0.00 0.00 -1.07 0.00 0.00 68.15 68.16 1kgm h THR 29 CO 0.00 0.01 -0.93 0.18 -0.01 0.00 0.00 175.52 174.78 1kgm n LEU 30 N -3.40 -3.16 -2.73 0.00 4.77 -1.26 -4.88 117.00 106.33 1kgm n LEU 30 Ca -0.03 -0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 55.09 1kgm n LEU 30 Cb 0.11 -1.99 0.01 0.00 -2.33 0.00 0.00 43.42 39.22 1kgm n LEU 30 CO 0.24 -0.12 0.67 1.17 -1.33 0.00 0.00 177.39 178.03 1kgm n LYS 31 N -1.76 3.33 -1.16 3.23 3.00 -1.26 -5.05 118.16 118.49 1kgm n LYS 31 Ca -0.19 -4.26 0.03 0.00 -0.00 0.00 0.00 58.31 53.89 1kgm n LYS 31 Cb 0.65 -2.27 -0.01 0.00 0.00 0.00 0.00 35.03 33.40 1kgm n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1kgm n ALA 32 N -0.45 -1.84 -2.13 3.14 0.00 -1.26 -5.04 120.51 112.92 1kgm n ALA 32 Ca 0.43 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 1kgm n ALA 32 Cb 0.48 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1kgm n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kgm n PRO 34 N -0.03 0.00 -0.57 0.00 -0.04 -1.26 -5.13 135.00 127.98 1kgm n PRO 34 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1kgm n PRO 34 Cb 0.63 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1kgm n PRO 34 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40