#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2y h GLU 2 N 0.00 0.60 -0.44 3.52 4.81 -1.81 -2.25 114.58 119.02 2k2y h GLU 2 Ca 0.00 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 2k2y h GLU 2 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k2y h GLU 2 CO 0.00 0.82 0.02 0.00 -0.73 0.00 0.00 179.01 179.11 2k2y h VAL 4 N 0.67 1.31 -0.45 0.00 2.07 -1.74 -1.64 116.25 116.45 2k2y h VAL 4 Ca 0.14 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.60 2k2y h VAL 4 Cb 0.39 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2k2y h VAL 4 CO 0.01 0.63 0.13 -1.28 0.02 0.00 0.00 177.57 177.08 2k2y h SER 5 N 0.46 0.61 0.43 0.57 0.87 -1.30 -1.95 113.55 113.23 2k2y h SER 5 Ca -0.04 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2k2y h SER 5 Cb 1.36 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2k2y h SER 5 CO 0.15 0.60 -0.04 0.29 -0.53 0.00 0.00 176.83 177.30 2k2y n LYS 6 N -4.32 0.59 -0.95 2.24 4.76 -0.86 -4.95 118.16 114.68 2k2y n LYS 6 Ca 0.03 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2k2y n LYS 6 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2k2y n LYS 6 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k2y n GLY 7 N 1.25 0.85 3.68 0.72 0.00 -0.74 -5.05 105.19 105.91 2k2y n GLY 7 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2k2y n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k2y s PHE 8 N -3.38 1.41 0.74 1.61 0.08 -0.66 -4.93 117.98 112.85 2k2y s PHE 8 Ca 0.00 0.68 -0.10 0.00 0.12 0.00 0.00 56.93 57.64 2k2y s PHE 8 Cb 0.00 -3.45 0.16 0.00 -0.57 0.00 0.00 43.02 39.17 2k2y s PHE 8 CO 0.00 -3.24 1.01 0.41 -0.10 0.00 0.00 175.22 173.30 2k2y n GLY 9 N -1.44 -0.84 2.55 4.36 0.00 -1.09 -4.54 105.19 104.19 2k2y n GLY 9 Ca 0.10 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 2k2y n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2y s LEU 11 N -2.41 3.50 1.03 0.00 1.43 -1.26 -4.94 118.68 116.03 2k2y s LEU 11 Ca 0.28 2.07 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 2k2y s LEU 11 Cb 0.32 -4.56 0.20 0.00 0.03 0.00 0.00 46.19 42.19 2k2y s LEU 11 CO -0.06 -1.51 1.13 -2.16 0.23 0.00 0.00 176.35 173.98 2k2y s PRO 12 N -3.83 0.15 0.25 1.29 0.04 -1.26 -4.49 135.00 127.16 2k2y s PRO 12 Ca 0.69 0.21 0.19 0.00 0.04 0.00 0.00 61.00 62.13 2k2y s PRO 12 Cb -0.22 -1.73 0.95 0.00 0.04 0.00 0.00 34.50 33.54 2k2y s PRO 12 CO 0.37 -2.85 1.57 0.00 0.04 0.00 0.00 177.00 176.13 2k2y n GLN 13 N -4.20 0.12 0.00 4.56 10.64 -1.26 -1.20 117.38 126.04 2k2y n GLN 13 Ca 0.08 0.56 0.11 0.00 -1.83 0.00 0.00 57.00 55.93 2k2y n GLN 13 Cb 0.59 -1.86 0.07 0.00 -0.86 0.00 0.00 30.24 28.17 2k2y n GLN 13 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2k2y n SER 14 N -2.12 0.83 0.00 2.61 7.64 -1.26 -4.22 113.62 117.10 2k2y n SER 14 Ca -0.00 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2k2y n SER 14 Cb 0.07 0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 2k2y n SER 14 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k2y n ASP 15 N -1.40 0.70 -3.90 6.43 8.00 -0.66 -4.93 116.55 120.80 2k2y n ASP 15 Ca 0.05 -0.86 -0.29 0.00 0.71 0.00 0.00 54.79 54.40 2k2y n ASP 15 Cb 0.34 0.26 -0.13 0.00 -0.02 0.00 0.00 41.12 41.57 2k2y n ASP 15 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k2y s PRO 17 N -0.74 0.12 0.18 0.00 0.04 -1.26 -4.76 135.00 128.58 2k2y s PRO 17 Ca 0.21 -0.11 0.17 0.00 0.04 0.00 0.00 61.00 61.30 2k2y s PRO 17 Cb -0.16 -1.76 0.79 0.00 0.04 0.00 0.00 34.50 33.41 2k2y s PRO 17 CO -0.07 -2.81 1.51 1.04 0.04 0.00 0.00 177.00 176.71 2k2y n GLN 18 N -4.11 0.10 0.06 4.56 6.02 -1.26 -2.58 117.38 120.18 2k2y n GLN 18 Ca 0.12 0.48 -0.21 0.00 -0.01 0.00 0.00 57.00 57.38 2k2y n GLN 18 Cb 0.59 -1.76 -0.15 0.00 1.02 0.00 0.00 30.24 29.94 2k2y n GLN 18 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2k2y h GLU 19 N 0.00 0.35 0.00 -1.09 5.08 -2.02 -3.39 114.58 113.51 2k2y h GLU 19 Ca 0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 2k2y h GLU 19 Cb 0.15 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k2y h GLU 19 CO 0.00 1.26 -0.87 0.00 -1.00 0.00 0.00 179.01 178.39 2k2y n ALA 20 N -2.84 4.29 -1.75 3.43 0.00 -1.14 -4.97 120.51 117.54 2k2y n ALA 20 Ca -0.24 -0.51 -0.36 0.00 0.00 0.00 0.00 53.44 52.32 2k2y n ALA 20 Cb 1.07 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 19.68 2k2y n ALA 20 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k2y s ARG 21 N -3.02 2.85 0.73 0.00 1.70 -1.06 -2.26 118.95 117.88 2k2y s ARG 21 Ca 0.08 1.93 -0.07 0.00 -0.47 0.00 0.00 55.73 57.21 2k2y s ARG 21 Cb 0.16 -1.92 0.08 0.00 -0.57 0.00 0.00 34.95 32.70 2k2y s ARG 21 CO 0.82 -1.33 1.03 -0.51 -1.08 0.00 0.00 175.30 174.23 2k2y s LEU 22 N -4.13 2.85 0.00 -1.89 1.43 -1.23 -4.82 118.68 110.88 2k2y s LEU 22 Ca 0.79 0.31 0.12 0.00 -1.03 0.00 0.00 54.13 54.32 2k2y s LEU 22 Cb -0.33 -2.87 0.61 0.00 0.03 0.00 0.00 46.19 43.63 2k2y s LEU 22 CO 0.36 -1.74 1.26 -0.24 0.23 0.00 0.00 176.35 176.22 2k2y n SER 23 N -2.98 0.00 -3.85 2.29 2.88 -1.26 -4.78 113.62 105.92 2k2y n SER 23 Ca 0.10 0.03 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 2k2y n SER 23 Cb 0.60 -0.24 -0.06 0.00 -0.75 0.00 0.00 64.21 63.76 2k2y n SER 23 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2k2y s TYR 24 N -2.47 0.16 -0.83 0.66 1.13 -1.26 -5.12 117.35 109.62 2k2y s TYR 24 Ca 0.12 -0.54 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 2k2y s TYR 24 Cb 0.08 0.03 0.24 0.00 -1.10 0.00 0.00 41.96 41.21 2k2y s TYR 24 CO 0.17 -0.66 0.86 0.41 -2.51 0.00 0.00 175.55 173.82 2k2y n GLY 25 N -0.16 4.50 0.10 5.49 0.00 -1.26 -4.80 105.19 109.06 2k2y n GLY 25 Ca -0.12 -2.66 0.04 0.00 0.00 0.00 0.00 46.02 43.28 2k2y n GLY 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2y n GLY 26 N 1.65 -0.75 1.09 -0.02 0.00 -1.26 -4.81 105.19 101.09 2k2y n GLY 26 Ca 0.25 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2k2y n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2y h SER 28 N 0.07 0.00 0.00 0.00 0.02 -2.01 -3.43 113.55 108.21 2k2y h SER 28 Ca -0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k2y h SER 28 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2k2y h SER 28 CO 0.12 0.45 0.00 1.07 -1.14 0.00 0.00 176.83 177.33 2k2y n THR 29 N -3.60 0.00 -3.87 -2.27 5.66 -1.26 -5.14 114.28 103.80 2k2y n THR 29 Ca -0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.83 2k2y n THR 29 Cb 0.54 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.16 2k2y n THR 29 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k2y s VAL 30 N -1.00 0.09 0.00 1.08 0.11 -1.26 -5.01 120.40 114.41 2k2y s VAL 30 Ca 0.00 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.21 2k2y s VAL 30 Cb 0.00 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 2k2y s VAL 30 CO 0.00 0.12 -0.10 0.00 -3.33 0.00 0.00 175.10 171.79 2k2y s ASP 33 N -2.70 6.18 0.00 0.00 1.47 -0.96 -2.67 116.67 117.99 2k2y s ASP 33 Ca 0.07 1.31 0.00 0.00 1.18 0.00 0.00 52.55 55.11 2k2y s ASP 33 Cb 0.01 -2.39 0.00 0.00 -0.34 0.00 0.00 42.92 40.20 2k2y s ASP 33 CO -0.03 -0.86 0.73 0.00 0.68 0.00 0.00 175.17 175.69 2k2y n LEU 34 N -2.69 1.33 0.29 2.11 -0.00 -1.26 -4.67 117.00 112.11 2k2y n LEU 34 Ca 0.05 -1.33 0.14 0.00 -0.00 0.00 0.00 56.01 54.87 2k2y n LEU 34 Cb 0.54 0.00 0.85 0.00 -0.00 0.00 0.00 43.42 44.82 2k2y n LEU 34 CO 0.57 0.33 1.10 -1.28 -0.00 0.00 0.00 177.39 178.12 2k2y h SER 35 N 0.00 0.00 0.18 1.45 0.87 -1.95 -1.47 113.55 112.63 2k2y h SER 35 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 2k2y h SER 35 Cb 0.42 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2k2y h SER 35 CO 0.00 0.01 -0.73 0.11 -0.53 0.00 0.00 176.83 175.70 2k2y h LYS 36 N 0.00 0.48 -0.28 2.24 1.57 -1.87 -2.58 116.57 116.13 2k2y h LYS 36 Ca -0.00 -0.38 -0.11 0.00 -1.87 0.00 0.00 60.65 58.28 2k2y h LYS 36 Cb 0.03 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2k2y h LYS 36 CO 0.00 1.02 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.56 2k2y h LEU 37 N 0.33 0.71 0.00 2.94 3.38 -1.64 -2.93 115.31 118.10 2k2y h LEU 37 Ca -0.03 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2k2y h LEU 37 Cb 1.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k2y h LEU 37 CO 0.13 1.03 0.00 0.35 0.09 0.00 0.00 178.44 180.04 2k2y n THR 38 N -4.30 0.44 -0.06 0.22 -2.24 -1.00 -5.18 114.28 102.17 2k2y n THR 38 Ca -0.04 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2k2y n THR 38 Cb 0.46 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2k2y n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11