#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enh n SER 2 N 0.00 -0.64 -4.56 1.61 3.41 -1.26 -4.74 113.62 107.44 2enh n SER 2 Ca 0.00 -0.94 -0.38 0.00 -0.26 0.00 0.00 58.87 57.30 2enh n SER 2 Cb 0.00 -1.19 -0.03 0.00 -0.26 0.00 0.00 64.21 62.73 2enh n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2enh s SER 3 N -3.15 6.19 0.00 4.04 0.01 -1.26 -3.63 113.70 115.90 2enh s SER 3 Ca 0.41 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2enh s SER 3 Cb -0.24 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2enh s SER 3 CO 0.76 -1.80 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2enh n GLY 4 N 6.61 0.69 3.50 3.44 0.00 -1.26 -5.13 105.19 113.04 2enh n GLY 4 Ca 0.37 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2enh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2enh s SER 5 N -0.92 4.37 0.24 1.61 0.15 -1.24 -5.11 113.70 112.80 2enh s SER 5 Ca 0.00 -0.15 -0.18 0.00 0.70 0.00 0.00 55.95 56.32 2enh s SER 5 Cb 0.00 -1.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.05 2enh s SER 5 CO 0.00 0.28 0.58 -0.44 1.20 0.00 0.00 173.24 174.87 2enh s SER 6 N -0.35 -0.23 -0.03 5.45 0.01 -1.26 -5.17 113.70 112.12 2enh s SER 6 Ca 0.04 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 2enh s SER 6 Cb -0.12 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.77 2enh s SER 6 CO 0.02 -1.18 0.05 -0.83 0.41 0.00 0.00 173.24 171.71 2enh s GLY 7 N -2.92 0.11 -0.02 3.44 0.00 -1.26 -5.15 107.32 101.53 2enh s GLY 7 Ca 0.13 0.32 0.04 0.00 0.00 0.00 0.00 44.72 45.21 2enh s GLY 7 CO 0.03 0.90 -0.13 -0.51 0.00 0.00 0.00 173.10 173.39 2enh s THR 8 N 1.35 1.03 -0.47 0.90 -4.23 -1.26 -4.81 115.64 108.16 2enh s THR 8 Ca -0.06 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 59.89 2enh s THR 8 Cb -0.13 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2enh s THR 8 CO -0.03 0.30 0.41 0.61 -0.54 0.00 0.00 174.62 175.36 2enh n GLY 9 N 2.91 0.39 2.99 3.99 0.00 -1.26 -5.01 105.19 109.21 2enh n GLY 9 Ca -0.15 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 2enh n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2enh s GLU 10 N -5.31 2.68 0.02 1.61 2.56 -1.26 -5.05 118.70 113.95 2enh s GLU 10 Ca 0.18 -3.16 -0.07 0.00 0.00 0.00 0.00 54.97 51.91 2enh s GLU 10 Cb -0.08 -3.62 -0.00 0.00 2.00 0.00 0.00 34.13 32.43 2enh s GLU 10 CO 0.26 -1.25 0.14 -1.59 -0.56 0.00 0.00 175.26 172.26 2enh s LYS 11 N -1.15 0.58 0.00 4.30 -2.85 -1.26 -5.03 119.74 114.34 2enh s LYS 11 Ca 0.24 -0.57 0.15 0.00 -1.00 0.00 0.00 55.97 54.79 2enh s LYS 11 Cb -0.10 0.24 0.76 0.00 -2.06 0.00 0.00 37.83 36.67 2enh s LYS 11 CO -0.12 -0.15 1.40 -0.35 0.10 0.00 0.00 175.35 176.23 2enh n PRO 12 N 1.03 0.23 -3.63 1.78 -0.04 -1.26 -4.54 135.00 128.57 2enh n PRO 12 Ca -0.21 0.14 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 2enh n PRO 12 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 2enh n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2enh s TYR 13 N -2.53 3.21 0.11 0.54 1.51 -1.26 -5.06 117.35 113.87 2enh s TYR 13 Ca 0.15 -0.75 -0.11 0.00 -1.01 0.00 0.00 57.07 55.35 2enh s TYR 13 Cb 0.10 -2.40 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 2enh s TYR 13 CO 0.22 -0.55 0.26 -1.21 -1.11 0.00 0.00 175.55 173.17 2enh s GLU 14 N 1.59 0.97 0.01 -0.62 2.02 -1.26 -2.88 118.70 118.53 2enh s GLU 14 Ca 0.03 -0.94 -0.05 0.00 0.02 0.00 0.00 54.97 54.04 2enh s GLU 14 Cb -0.18 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.39 2enh s GLU 14 CO 0.06 -0.34 0.24 0.00 0.02 0.00 0.00 175.26 175.25 2enh n ASP 16 N 0.98 3.29 0.12 0.00 2.03 -1.26 -2.24 116.55 119.47 2enh n ASP 16 Ca -0.10 -2.46 0.00 0.00 0.52 0.00 0.00 54.79 52.74 2enh n ASP 16 Cb 0.53 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 2enh n ASP 16 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2enh n VAL 17 N 0.27 0.39 0.27 5.18 0.31 -1.26 -4.88 118.33 118.61 2enh n VAL 17 Ca 0.14 0.13 0.10 0.00 -0.01 0.00 0.00 64.34 64.70 2enh n VAL 17 Cb 0.73 -0.84 0.17 0.00 -0.91 0.00 0.00 33.84 32.98 2enh n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2enh n ARG 19 N 1.16 -3.74 -2.85 0.00 5.12 -0.95 -4.90 116.66 110.50 2enh n ARG 19 Ca 0.15 0.49 -0.41 0.00 -1.93 0.00 0.00 57.85 56.16 2enh n ARG 19 Cb 0.52 -5.24 -0.04 0.00 -1.16 0.00 0.00 32.46 26.54 2enh n ARG 19 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2enh s LYS 20 N -6.23 4.51 -0.03 5.56 2.20 -1.26 -4.54 119.74 119.94 2enh s LYS 20 Ca 0.49 1.20 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 2enh s LYS 20 Cb -0.26 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.56 2enh s LYS 20 CO 0.60 0.00 0.45 0.00 -0.36 0.00 0.00 175.35 176.05 2enh s ALA 21 N 0.91 3.60 -0.05 3.13 0.00 -1.26 -1.72 121.76 126.37 2enh s ALA 21 Ca 0.46 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2enh s ALA 21 Cb -0.20 -2.51 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2enh s ALA 21 CO 0.24 0.30 -0.16 -0.06 0.00 0.00 0.00 175.76 176.08 2enh s PHE 22 N -0.46 1.66 0.11 0.00 0.40 -1.14 -4.99 117.98 113.55 2enh s PHE 22 Ca 0.25 -0.54 -0.19 0.00 -0.60 0.00 0.00 56.93 55.84 2enh s PHE 22 Cb -0.16 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.15 2enh s PHE 22 CO 0.13 -0.22 1.68 0.77 0.70 0.00 0.00 175.22 178.27 2enh h SER 23 N 6.54 0.30 -3.75 1.36 0.02 -1.98 -3.41 113.55 112.63 2enh h SER 23 Ca -0.31 -0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 59.89 2enh h SER 23 Cb 1.18 -0.08 -0.17 0.00 0.14 0.00 0.00 62.40 63.48 2enh h SER 23 CO 0.48 0.33 -0.53 -2.28 -1.14 0.00 0.00 176.83 173.69 2enh s HIS 24 N -5.72 3.23 0.07 3.45 5.65 -1.26 -5.00 115.29 115.71 2enh s HIS 24 Ca -0.13 0.08 -0.14 0.00 0.25 0.00 0.00 55.06 55.11 2enh s HIS 24 Cb 0.08 -2.32 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 2enh s HIS 24 CO 0.71 -0.10 0.97 1.58 -0.65 0.00 0.00 174.74 177.25 2enh n HIS 25 N 4.74 -0.20 -0.13 3.88 -0.00 -1.26 -0.87 115.22 121.38 2enh n HIS 25 Ca -0.15 0.57 -0.03 0.00 0.46 0.00 0.00 57.72 58.57 2enh n HIS 25 Cb 0.52 -0.49 -0.03 0.00 -0.12 0.00 0.00 29.99 29.87 2enh n HIS 25 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2enh n ALA 26 N -3.19 -0.20 -0.28 1.57 0.00 -1.26 0.14 120.51 117.29 2enh n ALA 26 Ca 0.01 0.26 0.20 0.00 0.00 0.00 0.00 53.44 53.91 2enh n ALA 26 Cb 0.12 0.15 0.38 0.00 0.00 0.00 0.00 19.45 20.10 2enh n ALA 26 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2enh n SER 27 N -3.67 0.10 -0.01 0.00 7.64 -0.05 0.18 113.62 117.82 2enh n SER 27 Ca 0.01 1.43 -0.18 0.00 1.01 0.00 0.00 58.87 61.14 2enh n SER 27 Cb 0.08 -0.61 -0.08 0.00 -1.01 0.00 0.00 64.21 62.59 2enh n SER 27 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2enh h LEU 28 N 0.00 0.83 0.70 -3.43 5.85 0.13 -2.19 115.31 117.20 2enh h LEU 28 Ca 0.62 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 2enh h LEU 28 Cb 1.50 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 42.29 2enh h LEU 28 CO -0.73 1.36 -0.34 0.74 -0.34 0.00 0.00 178.44 179.14 2enh h THR 29 N 0.36 0.00 -0.94 1.05 2.02 0.41 -2.77 112.91 113.04 2enh h THR 29 Ca -0.06 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 66.93 2enh h THR 29 Cb 1.39 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 2enh h THR 29 CO 0.15 0.00 0.57 -0.61 0.37 0.00 0.00 175.52 176.01 2enh h GLN 30 N -1.25 0.88 -0.52 6.66 4.15 -0.11 -1.68 115.11 123.25 2enh h GLN 30 Ca -0.10 -0.05 0.09 0.00 0.77 0.00 0.00 58.65 59.36 2enh h GLN 30 Cb 0.72 -0.20 -0.07 0.00 0.21 0.00 0.00 27.48 28.14 2enh h GLN 30 CO 0.16 0.58 0.12 1.25 -1.93 0.00 0.00 178.83 179.01 2enh h HIS 31 N 0.91 0.20 -1.17 3.99 2.76 -1.39 -1.48 115.15 118.97 2enh h HIS 31 Ca 0.47 0.03 0.38 0.00 -2.20 0.00 0.00 60.37 59.05 2enh h HIS 31 Cb 0.47 -0.01 -0.09 0.00 1.55 0.00 0.00 27.41 29.33 2enh h HIS 31 CO -0.03 0.01 0.79 1.04 -1.30 0.00 0.00 177.93 178.44 2enh n GLN 32 N -5.09 -0.02 -0.27 5.26 1.13 -0.63 0.05 117.38 117.81 2enh n GLN 32 Ca 0.06 0.88 -0.07 0.00 -1.94 0.00 0.00 57.00 55.93 2enh n GLN 32 Cb 0.25 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.75 2enh n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2enh h ARG 33 N 0.00 -0.14 -0.71 -1.09 3.08 -1.41 0.12 114.38 114.23 2enh h ARG 33 Ca 0.66 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.94 2enh h ARG 33 Cb 2.33 0.03 -0.13 0.00 0.08 0.00 0.00 29.97 32.28 2enh h ARG 33 CO -0.23 -0.09 0.07 1.33 -1.07 0.00 0.00 179.97 179.98 2enh n VAL 34 N -5.40 -0.30 -2.80 2.04 0.24 0.11 -3.41 118.33 108.81 2enh n VAL 34 Ca 0.04 1.55 -0.43 0.00 -2.04 0.00 0.00 64.34 63.46 2enh n VAL 34 Cb 0.35 -2.29 -0.04 0.00 -1.47 0.00 0.00 33.84 30.39 2enh n VAL 34 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2enh s HIS 35 N -5.54 2.69 0.35 6.34 3.76 0.42 -4.90 115.29 118.43 2enh s HIS 35 Ca -0.09 -0.13 0.13 0.00 -0.15 0.00 0.00 55.06 54.82 2enh s HIS 35 Cb 0.21 -4.22 0.96 0.00 1.11 0.00 0.00 32.58 30.65 2enh s HIS 35 CO 0.55 -1.52 1.76 0.66 -0.85 0.00 0.00 174.74 175.34 2enh h SER 36 N 9.47 0.59 -4.90 1.40 4.64 -1.79 -3.48 113.55 119.48 2enh h SER 36 Ca -0.27 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2enh h SER 36 Cb 1.07 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2enh h SER 36 CO 1.14 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 177.84 2enh n GLY 37 N -1.39 0.65 0.00 -0.77 0.00 -1.26 -4.70 105.19 97.72 2enh n GLY 37 Ca 0.25 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 44.08 2enh n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2enh n GLU 38 N -0.66 0.33 -3.96 1.61 1.02 -1.26 -4.67 120.64 113.04 2enh n GLU 38 Ca 0.00 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2enh n GLU 38 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 2enh n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2enh s LYS 39 N -2.43 0.19 -0.51 3.49 -2.85 -1.26 -5.10 119.74 111.27 2enh s LYS 39 Ca 0.19 -0.21 -0.27 0.00 -1.00 0.00 0.00 55.97 54.68 2enh s LYS 39 Cb 0.12 -0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 35.79 2enh s LYS 39 CO 0.25 0.02 1.79 -1.25 0.10 0.00 0.00 175.35 176.26 2enh s PRO 40 N -0.42 2.94 -0.05 1.78 0.04 -1.26 -4.93 135.00 133.10 2enh s PRO 40 Ca -0.03 0.88 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2enh s PRO 40 Cb -0.03 -4.29 0.04 0.00 0.04 0.00 0.00 34.50 30.25 2enh s PRO 40 CO -0.00 -2.35 0.10 -1.54 0.04 0.00 0.00 177.00 173.25 2enh s SER 41 N 7.04 0.32 0.08 6.66 1.04 -1.26 -5.15 113.70 122.43 2enh s SER 41 Ca 0.70 0.19 -0.02 0.00 0.48 0.00 0.00 55.95 57.30 2enh s SER 41 Cb -0.16 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2enh s SER 41 CO 0.26 -0.18 0.02 -0.83 0.98 0.00 0.00 173.24 173.49 2enh s GLY 42 N 1.53 0.58 1.21 7.32 0.00 -1.26 -4.96 107.32 111.74 2enh s GLY 42 Ca -0.04 -1.22 -0.19 0.00 0.00 0.00 0.00 44.72 43.26 2enh s GLY 42 CO -0.05 -1.27 1.11 2.56 0.00 0.00 0.00 173.10 175.45 2enh s PRO 43 N -3.95 -1.27 -0.09 2.90 0.04 -1.26 -5.08 135.00 126.29 2enh s PRO 43 Ca 0.12 -0.08 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 2enh s PRO 43 Cb 0.07 -1.59 0.05 0.00 0.04 0.00 0.00 34.50 33.07 2enh s PRO 43 CO -0.07 -3.74 0.18 -1.54 0.04 0.00 0.00 177.00 171.87 2enh s SER 44 N -3.90 0.48 0.18 6.66 1.04 -1.26 -5.16 113.70 111.74 2enh s SER 44 Ca 0.71 0.38 0.09 0.00 0.48 0.00 0.00 55.95 57.60 2enh s SER 44 Cb -0.10 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2enh s SER 44 CO 0.56 -0.22 -0.18 -0.44 0.98 0.00 0.00 173.24 173.94 2enh s SER 45 N 2.05 2.72 0.00 7.02 0.01 -1.26 -5.39 113.70 118.85 2enh s SER 45 Ca -0.00 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2enh s SER 45 Cb -0.12 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2enh s SER 45 CO -0.06 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.15