#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enh s SER 2 N 0.00 -0.08 0.48 1.61 0.01 -1.26 -5.17 113.70 109.30 2enh s SER 2 Ca 0.00 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 56.86 2enh s SER 2 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 2enh s SER 2 CO 0.00 -0.71 0.75 -0.94 0.41 0.00 0.00 173.24 172.75 2enh s SER 3 N -2.51 5.94 0.00 2.44 1.04 -1.26 -5.08 113.70 114.27 2enh s SER 3 Ca 0.00 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2enh s SER 3 Cb 0.02 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2enh s SER 3 CO -0.08 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2enh n GLY 4 N -2.23 2.19 3.52 7.32 0.00 -1.26 -5.17 105.19 109.56 2enh n GLY 4 Ca 0.01 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 -0.68 0.24 1.61 0.15 -1.26 -5.04 113.70 108.72 2enh s SER 5 Ca 0.00 1.25 -0.04 0.00 0.70 0.00 0.00 55.95 57.86 2enh s SER 5 Cb 0.00 1.24 0.46 0.00 -1.71 0.00 0.00 66.02 66.00 2enh s SER 5 CO 0.00 -0.22 1.72 0.77 1.20 0.00 0.00 173.24 176.72 2enh h SER 6 N 5.60 0.24 0.00 5.45 4.64 -2.07 -3.45 113.55 123.97 2enh h SER 6 Ca -0.29 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2enh h SER 6 Cb 1.18 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2enh h SER 6 CO 0.14 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 2enh n GLY 7 N -1.33 2.61 3.57 -0.77 0.00 -1.26 -5.04 105.19 102.97 2enh n GLY 7 Ca 0.14 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2enh n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2enh s THR 8 N 0.00 3.82 -0.33 2.61 2.01 -1.26 -4.61 115.64 117.88 2enh s THR 8 Ca 0.00 -1.17 -0.06 0.00 0.31 0.00 0.00 61.69 60.77 2enh s THR 8 Cb 0.00 -4.82 0.24 0.00 0.01 0.00 0.00 72.50 67.92 2enh s THR 8 CO 0.00 -1.57 1.16 0.61 -0.69 0.00 0.00 174.62 174.13 2enh n GLY 9 N 6.05 -1.77 0.06 4.40 0.00 -1.26 -5.02 105.19 107.66 2enh n GLY 9 Ca 0.43 1.23 -0.03 0.00 0.00 0.00 0.00 46.02 47.65 2enh n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2enh n GLU 10 N 2.21 0.95 -1.01 1.61 4.07 -1.26 -5.02 120.64 122.19 2enh n GLU 10 Ca 0.08 -0.06 -0.33 0.00 -0.06 0.00 0.00 57.16 56.79 2enh n GLU 10 Cb 0.67 -1.45 -0.01 0.00 -0.06 0.00 0.00 31.44 30.59 2enh n GLU 10 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2enh n LYS 11 N -2.50 0.00 0.18 5.31 4.01 -1.26 -4.79 118.16 119.11 2enh n LYS 11 Ca -0.21 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.73 2enh n LYS 11 Cb 0.90 -0.76 0.56 0.00 -0.51 0.00 0.00 35.03 35.21 2enh n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2enh h PRO 12 N 0.39 0.00 -4.40 1.97 0.13 -1.95 -3.42 132.00 124.72 2enh h PRO 12 Ca -0.26 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.40 2enh h PRO 12 Cb 1.10 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.90 2enh h PRO 12 CO 0.38 0.00 -0.80 0.71 -0.23 0.00 0.00 178.00 178.06 2enh s TYR 13 N -3.43 1.15 -0.06 1.56 2.02 -1.26 -5.03 117.35 112.30 2enh s TYR 13 Ca 0.03 -0.38 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 2enh s TYR 13 Cb 0.09 -0.88 0.04 0.00 -0.40 0.00 0.00 41.96 40.82 2enh s TYR 13 CO 0.43 -0.22 0.46 -2.00 -1.57 0.00 0.00 175.55 172.65 2enh s GLU 14 N 0.65 0.76 1.05 -0.62 2.12 -1.26 -3.40 118.70 118.00 2enh s GLU 14 Ca -0.12 0.13 -0.16 0.00 0.36 0.00 0.00 54.97 55.19 2enh s GLU 14 Cb -0.14 0.35 0.22 0.00 0.26 0.00 0.00 34.13 34.81 2enh s GLU 14 CO 0.02 -0.20 1.15 0.00 -0.54 0.00 0.00 175.26 175.69 2enh n ASP 16 N -4.23 3.35 -0.08 0.00 5.75 -1.26 -3.62 116.55 116.46 2enh n ASP 16 Ca 0.10 -0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.74 2enh n ASP 16 Cb 0.59 0.66 -0.11 0.00 -1.03 0.00 0.00 41.12 41.23 2enh n ASP 16 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 2enh h VAL 17 N 0.00 1.33 -0.10 2.12 2.07 -2.00 -3.38 116.25 116.28 2enh h VAL 17 Ca -0.18 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2enh h VAL 17 Cb 1.41 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.82 2enh h VAL 17 CO 0.01 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.05 2enh n ARG 19 N 0.71 -1.57 -2.86 0.00 3.00 -1.24 -4.88 116.66 109.81 2enh n ARG 19 Ca 0.09 0.20 -0.38 0.00 -0.01 0.00 0.00 57.85 57.76 2enh n ARG 19 Cb 0.35 -4.47 -0.06 0.00 0.00 0.00 0.00 32.46 28.28 2enh n ARG 19 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2enh s LYS 20 N -7.15 4.56 0.13 5.56 2.20 -1.26 -4.56 119.74 119.22 2enh s LYS 20 Ca 0.50 1.24 -0.21 0.00 -0.36 0.00 0.00 55.97 57.15 2enh s LYS 20 Cb -0.29 -2.96 -0.07 0.00 -1.51 0.00 0.00 37.83 33.00 2enh s LYS 20 CO 0.99 0.38 0.65 0.00 -0.36 0.00 0.00 175.35 177.00 2enh s ALA 21 N -1.46 3.52 0.00 3.13 0.00 -1.26 -1.76 121.76 123.93 2enh s ALA 21 Ca 0.45 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.54 2enh s ALA 21 Cb -0.20 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2enh s ALA 21 CO 0.25 0.36 0.00 1.19 0.00 0.00 0.00 175.76 177.56 2enh n PHE 22 N 1.44 0.00 -2.56 0.00 3.01 -1.22 -5.03 117.46 113.10 2enh n PHE 22 Ca -0.07 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.18 2enh n PHE 22 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 2enh n PHE 22 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2enh n SER 23 N -1.32 -5.92 -3.16 4.37 7.64 -1.25 -4.94 113.62 109.05 2enh n SER 23 Ca 0.00 -0.08 0.04 0.00 1.01 0.00 0.00 58.87 59.85 2enh n SER 23 Cb 0.17 -4.89 -0.01 0.00 -1.01 0.00 0.00 64.21 58.47 2enh n SER 23 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2enh s HIS 24 N -3.07 -1.19 0.30 1.43 5.65 -1.26 -4.94 115.29 112.20 2enh s HIS 24 Ca 0.08 1.28 0.02 0.00 0.25 0.00 0.00 55.06 56.69 2enh s HIS 24 Cb -0.03 0.43 0.73 0.00 -1.18 0.00 0.00 32.58 32.53 2enh s HIS 24 CO 0.09 -0.65 1.61 1.12 -0.65 0.00 0.00 174.74 176.27 2enh h HIS 25 N 8.00 0.19 -0.13 3.88 -0.00 -1.96 1.26 115.15 126.39 2enh h HIS 25 Ca -0.19 0.06 -0.04 0.00 -0.00 0.00 0.00 60.37 60.19 2enh h HIS 25 Cb 1.16 0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.63 2enh h HIS 25 CO 0.09 -0.31 -0.10 0.00 -0.00 0.00 0.00 177.93 177.61 2enh h ALA 26 N 1.86 1.59 -0.01 6.11 0.00 -1.98 0.20 119.26 127.01 2enh h ALA 26 Ca 0.57 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 55.16 2enh h ALA 26 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2enh h ALA 26 CO -0.76 0.30 -0.68 0.77 0.00 0.00 0.00 179.25 178.88 2enh h SER 27 N 0.19 0.09 0.10 0.00 0.02 0.12 -2.92 113.55 111.15 2enh h SER 27 Ca 0.04 -0.06 -0.21 0.00 -0.84 0.00 0.00 61.79 60.73 2enh h SER 27 Cb 0.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2enh h SER 27 CO 0.02 0.74 -1.02 0.25 -1.14 0.00 0.00 176.83 175.68 2enh h LEU 28 N 0.05 0.33 -1.58 5.07 5.85 -0.51 -2.83 115.31 121.71 2enh h LEU 28 Ca -0.01 -0.88 0.13 0.00 0.84 0.00 0.00 57.88 57.97 2enh h LEU 28 Cb 1.21 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.08 2enh h LEU 28 CO 0.09 1.45 0.48 0.00 -0.34 0.00 0.00 178.44 180.13 2enh h THR 29 N -0.47 0.83 0.03 1.05 1.03 -0.71 0.94 112.91 115.61 2enh h THR 29 Ca -0.21 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.03 2enh h THR 29 Cb 1.59 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 2enh h THR 29 CO 0.06 0.08 -0.01 1.56 -0.01 0.00 0.00 175.52 177.20 2enh h GLN 30 N 0.44 -0.04 -0.28 0.00 4.20 -1.63 -3.36 115.11 114.43 2enh h GLN 30 Ca 0.35 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.13 2enh h GLN 30 Cb 0.75 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 2enh h GLN 30 CO -0.11 0.52 -0.16 1.25 -0.67 0.00 0.00 178.83 179.65 2enh h HIS 31 N -0.97 -0.41 -1.31 2.96 2.76 -1.21 -0.11 115.15 116.85 2enh h HIS 31 Ca -0.00 0.03 0.38 0.00 -2.20 0.00 0.00 60.37 58.58 2enh h HIS 31 Cb 0.57 0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.70 2enh h HIS 31 CO 0.15 -0.24 1.22 1.04 -1.30 0.00 0.00 177.93 178.80 2enh n GLN 32 N -5.33 0.01 -0.16 5.26 1.13 0.29 0.78 117.38 119.36 2enh n GLN 32 Ca 0.00 0.97 -0.03 0.00 -1.94 0.00 0.00 57.00 56.01 2enh n GLN 32 Cb 0.24 -2.35 0.07 0.00 0.11 0.00 0.00 30.24 28.31 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 0.27 0.00 -1.09 2.47 -1.17 0.14 114.38 115.00 2enh h ARG 33 Ca 0.62 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.33 2enh h ARG 33 Cb 3.05 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 31.30 2enh h ARG 33 CO -0.01 0.18 0.36 -0.39 0.56 0.00 0.00 179.97 180.67 2enh h VAL 34 N 0.28 0.00 -3.41 2.04 -1.51 0.18 -3.14 116.25 110.69 2enh h VAL 34 Ca 0.25 0.00 -0.73 0.00 -1.23 0.00 0.00 66.70 64.98 2enh h VAL 34 Cb 0.31 0.49 -0.33 0.00 -2.13 0.00 0.00 31.29 29.63 2enh h VAL 34 CO -0.30 0.00 0.06 -1.00 -1.23 0.00 0.00 177.57 175.10 2enh s HIS 35 N -3.80 3.99 0.00 5.19 3.76 0.48 -5.05 115.29 119.86 2enh s HIS 35 Ca -0.02 -2.90 -0.29 0.00 -0.15 0.00 0.00 55.06 51.70 2enh s HIS 35 Cb 0.06 -3.43 -0.15 0.00 1.11 0.00 0.00 32.58 30.18 2enh s HIS 35 CO 0.20 -0.81 0.78 0.43 -0.85 0.00 0.00 174.74 174.49 2enh n SER 36 N 2.52 -0.02 -3.66 1.40 7.64 -1.19 -4.94 113.62 115.38 2enh n SER 36 Ca 0.21 0.85 -0.06 0.00 1.01 0.00 0.00 58.87 60.88 2enh n SER 36 Cb 0.38 -0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 2enh n SER 36 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2enh s GLY 37 N -0.01 -0.47 -1.47 0.23 0.00 -1.26 -4.93 107.32 99.41 2enh s GLY 37 Ca 0.66 1.78 -0.08 0.00 0.00 0.00 0.00 44.72 47.09 2enh s GLY 37 CO 0.42 2.54 0.75 -2.21 0.00 0.00 0.00 173.10 174.60 2enh n GLU 38 N 5.28 -4.52 -4.11 2.90 2.13 -1.26 -4.97 120.64 116.08 2enh n GLU 38 Ca -0.11 0.53 -0.14 0.00 0.66 0.00 0.00 57.16 58.09 2enh n GLU 38 Cb 0.50 -5.13 -0.11 0.00 0.27 0.00 0.00 31.44 26.97 2enh n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2enh s LYS 39 N -6.47 0.65 0.77 5.31 -2.85 -1.26 -5.15 119.74 110.74 2enh s LYS 39 Ca 0.34 -0.89 -0.11 0.00 -1.00 0.00 0.00 55.97 54.32 2enh s LYS 39 Cb -0.18 -0.45 0.05 0.00 -2.06 0.00 0.00 37.83 35.20 2enh s LYS 39 CO 0.85 0.08 1.09 -1.25 0.10 0.00 0.00 175.35 176.23 2enh s PRO 40 N -1.89 2.27 0.00 1.78 0.04 -1.26 -5.02 135.00 130.92 2enh s PRO 40 Ca -0.05 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.17 2enh s PRO 40 Cb -0.08 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2enh s PRO 40 CO 0.01 -1.63 0.00 0.45 0.04 0.00 0.00 177.00 175.86 2enh n SER 41 N -3.47 0.00 0.00 6.66 2.88 -1.26 -5.11 113.62 113.32 2enh n SER 41 Ca 0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2enh n SER 41 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2enh n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enh n GLY 42 N 2.66 1.46 3.55 0.46 0.00 -1.26 -5.04 105.19 107.02 2enh n GLY 42 Ca 0.00 -0.51 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 2enh n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2enh s PRO 43 N 0.00 2.68 -1.04 1.61 0.04 -1.26 -4.90 135.00 132.12 2enh s PRO 43 Ca 0.00 0.66 -0.24 0.00 0.04 0.00 0.00 61.00 61.46 2enh s PRO 43 Cb 0.00 -4.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.09 2enh s PRO 43 CO 0.00 -2.67 1.96 -1.54 0.04 0.00 0.00 177.00 174.79 2enh s SER 44 N 7.94 4.99 0.02 6.66 1.04 -1.26 -4.88 113.70 128.21 2enh s SER 44 Ca 0.68 -1.14 0.01 0.00 0.48 0.00 0.00 55.95 55.98 2enh s SER 44 Cb -0.13 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.40 2enh s SER 44 CO 0.21 -3.01 -0.05 -0.55 0.98 0.00 0.00 173.24 170.82 2enh s SER 45 N 7.40 0.56 0.00 7.02 0.15 -1.26 -5.30 113.70 122.27 2enh s SER 45 Ca 0.70 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.97 2enh s SER 45 Cb -0.04 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.30 2enh s SER 45 CO 0.07 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.97