#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 5.44 -0.04 1.61 1.04 -1.26 -5.00 113.70 115.50 2enh s SER 2 Ca 0.00 -0.27 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 2enh s SER 2 Cb 0.00 -1.36 -0.13 0.00 0.10 0.00 0.00 66.02 64.63 2enh s SER 2 CO 0.00 -0.03 2.88 -1.54 0.98 0.00 0.00 173.24 175.54 2enh n SER 3 N -1.08 5.40 -0.16 7.02 3.41 -1.26 -4.45 113.62 122.49 2enh n SER 3 Ca -0.08 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 55.92 2enh n SER 3 Cb 0.58 -1.28 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2enh n SER 3 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2enh h GLY 4 N 4.06 0.89 -7.55 5.00 0.00 -2.08 -3.37 103.07 100.02 2enh h GLY 4 Ca 0.13 -0.65 -0.73 0.00 0.00 0.00 0.00 47.33 46.08 2enh h GLY 4 CO 0.20 0.60 0.44 -1.35 0.00 0.00 0.00 176.54 176.42 2enh s SER 5 N -6.31 6.61 -0.55 0.19 1.04 -1.26 -4.98 113.70 108.44 2enh s SER 5 Ca -0.13 -2.20 -0.07 0.00 0.48 0.00 0.00 55.95 54.03 2enh s SER 5 Cb 0.11 -2.31 0.14 0.00 0.10 0.00 0.00 66.02 64.06 2enh s SER 5 CO 0.81 -0.88 0.40 -0.44 0.98 0.00 0.00 173.24 174.11 2enh s SER 6 N 3.05 5.65 0.00 7.02 0.01 -1.26 -5.04 113.70 123.14 2enh s SER 6 Ca 0.24 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 55.23 2enh s SER 6 Cb -0.10 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.16 2enh s SER 6 CO -0.07 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2enh n GLY 7 N 4.39 1.81 3.29 3.44 0.00 -1.26 -5.12 105.19 111.74 2enh n GLY 7 Ca -0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 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 4.62 1.93 -0.39 2.61 2.01 -1.26 -5.08 115.64 120.07 2enh s THR 8 Ca 0.00 -1.09 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 2enh s THR 8 Cb 0.00 -1.61 0.19 0.00 0.01 0.00 0.00 72.50 71.09 2enh s THR 8 CO 0.00 0.51 0.89 -0.83 -0.69 0.00 0.00 174.62 174.49 2enh s GLY 9 N -0.67 -1.50 0.46 4.40 0.00 -1.26 -5.17 107.32 103.58 2enh s GLY 9 Ca 0.10 0.52 0.03 0.00 0.00 0.00 0.00 44.72 45.37 2enh s GLY 9 CO -0.00 4.01 0.02 -0.54 0.00 0.00 0.00 173.10 176.59 2enh s GLU 10 N 1.51 2.06 -0.20 2.90 8.01 -1.26 -5.16 118.70 126.56 2enh s GLU 10 Ca 0.20 -2.26 -0.33 0.00 0.01 0.00 0.00 54.97 52.59 2enh s GLU 10 Cb 0.03 -1.40 0.15 0.00 -4.31 0.00 0.00 34.13 28.60 2enh s GLU 10 CO -0.10 -0.28 1.20 -1.59 0.01 0.00 0.00 175.26 174.50 2enh s LYS 11 N -3.81 0.32 0.45 1.61 -2.85 -1.26 -5.03 119.74 109.16 2enh s LYS 11 Ca 0.18 -0.05 0.23 0.00 -1.00 0.00 0.00 55.97 55.34 2enh s LYS 11 Cb 0.04 0.15 1.00 0.00 -2.06 0.00 0.00 37.83 36.97 2enh s LYS 11 CO 0.09 -0.12 1.87 -1.00 0.10 0.00 0.00 175.35 176.29 2enh h PRO 12 N 2.11 0.00 -4.33 1.78 0.13 -1.99 -3.44 132.00 126.26 2enh h PRO 12 Ca -0.11 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 2enh h PRO 12 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 2enh h PRO 12 CO 0.24 0.23 -0.70 0.71 -0.23 0.00 0.00 178.00 178.26 2enh s TYR 13 N -3.81 0.57 -0.25 1.56 2.02 -1.26 -5.09 117.35 111.09 2enh s TYR 13 Ca -0.01 -0.81 -0.29 0.00 -0.37 0.00 0.00 57.07 55.59 2enh s TYR 13 Cb 0.11 -0.38 0.17 0.00 -0.40 0.00 0.00 41.96 41.46 2enh s TYR 13 CO 0.64 -0.23 1.23 -2.00 -1.57 0.00 0.00 175.55 173.61 2enh s GLU 14 N -2.95 0.26 -0.20 -0.62 2.12 -1.26 -4.23 118.70 111.82 2enh s GLU 14 Ca 0.00 0.11 -0.23 0.00 0.36 0.00 0.00 54.97 55.21 2enh s GLU 14 Cb 0.00 0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 2enh s GLU 14 CO -0.05 -0.07 0.75 0.00 -0.54 0.00 0.00 175.26 175.35 2enh n ASP 16 N 5.43 0.59 -0.02 0.00 2.03 -1.26 0.62 116.55 123.95 2enh n ASP 16 Ca 0.03 -2.02 -0.03 0.00 0.52 0.00 0.00 54.79 53.29 2enh n ASP 16 Cb 0.49 -0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.65 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 -0.23 0.22 -0.02 5.18 0.31 -1.26 -4.79 118.33 117.74 2enh n VAL 17 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2enh n VAL 17 Cb 0.14 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 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 -0.51 -6.67 -2.56 0.00 3.00 0.20 -4.98 116.66 105.14 2enh n ARG 19 Ca 0.00 0.74 -0.24 0.00 -0.01 0.00 0.00 57.85 58.34 2enh n ARG 19 Cb 0.01 -5.50 0.13 0.00 0.00 0.00 0.00 32.46 27.10 2enh n ARG 19 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2enh n LYS 20 N -4.25 -0.24 -4.10 5.56 5.02 -1.23 -4.78 118.16 114.13 2enh n LYS 20 Ca -0.08 -2.74 -0.14 0.00 -2.02 0.00 0.00 58.31 53.32 2enh n LYS 20 Cb 0.59 -0.75 -0.12 0.00 -0.02 0.00 0.00 35.03 34.73 2enh n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2enh s ALA 21 N -3.26 0.61 0.23 7.82 0.00 -1.26 -2.33 121.76 123.57 2enh s ALA 21 Ca 0.69 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 2enh s ALA 21 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2enh s ALA 21 CO 0.46 0.03 0.19 -0.06 0.00 0.00 0.00 175.76 176.38 2enh s PHE 22 N -1.08 1.21 -0.19 0.00 0.40 -1.26 -5.02 117.98 112.05 2enh s PHE 22 Ca -0.06 -1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 54.85 2enh s PHE 22 Cb -0.08 -0.52 -0.10 0.00 0.51 0.00 0.00 43.02 42.82 2enh s PHE 22 CO 0.00 -0.72 -0.20 0.45 0.70 0.00 0.00 175.22 175.46 2enh n SER 23 N -0.55 2.10 -4.61 1.36 2.88 -1.26 -4.63 113.62 108.90 2enh n SER 23 Ca 0.03 0.04 -0.39 0.00 -1.33 0.00 0.00 58.87 57.22 2enh n SER 23 Cb 0.65 -0.40 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 2enh n SER 23 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2enh s HIS 24 N -2.36 3.26 0.20 0.66 5.65 -1.26 -4.98 115.29 116.46 2enh s HIS 24 Ca -0.25 0.41 -0.20 0.00 0.25 0.00 0.00 55.06 55.27 2enh s HIS 24 Cb 0.08 -2.55 0.14 0.00 -1.18 0.00 0.00 32.58 29.07 2enh s HIS 24 CO 0.38 -0.19 1.45 1.58 -0.65 0.00 0.00 174.74 177.31 2enh n HIS 25 N 5.19 -0.11 -0.05 3.88 -0.00 -1.26 -0.15 115.22 122.72 2enh n HIS 25 Ca -0.09 1.16 -0.08 0.00 0.46 0.00 0.00 57.72 59.17 2enh n HIS 25 Cb 0.51 -0.77 -0.02 0.00 -0.12 0.00 0.00 29.99 29.59 2enh n HIS 25 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2enh h ALA 26 N 1.04 -0.16 -1.66 1.57 0.00 -1.99 0.26 119.26 118.32 2enh h ALA 26 Ca 0.27 0.07 0.48 0.00 0.00 0.00 0.00 54.91 55.74 2enh h ALA 26 Cb 0.51 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 2enh h ALA 26 CO -0.92 -0.69 1.31 0.43 0.00 0.00 0.00 179.25 179.38 2enh n SER 27 N -5.39 0.00 -0.04 0.00 7.64 0.79 0.32 113.62 116.94 2enh n SER 27 Ca -0.01 0.89 -0.05 0.00 1.01 0.00 0.00 58.87 60.70 2enh n SER 27 Cb 0.30 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -0.02 -2.53 -3.43 5.85 -0.83 -2.10 115.31 112.25 2enh h LEU 28 Ca 0.79 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 59.16 2enh h LEU 28 Cb 3.39 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 44.43 2enh h LEU 28 CO -0.01 0.64 0.16 0.00 -0.34 0.00 0.00 178.44 178.89 2enh h THR 29 N -1.00 0.01 0.07 1.05 1.03 -0.01 -0.22 112.91 113.84 2enh h THR 29 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 66.41 66.06 2enh h THR 29 Cb 0.37 0.84 -0.03 0.00 -1.07 0.00 0.00 68.15 68.27 2enh h THR 29 CO 0.00 0.00 -1.87 0.00 -0.01 0.00 0.00 175.52 173.64 2enh n GLN 30 N -3.01 0.70 0.02 0.00 6.02 0.06 -4.32 117.38 116.85 2enh n GLN 30 Ca -0.02 0.28 -0.13 0.00 -0.01 0.00 0.00 57.00 57.12 2enh n GLN 30 Cb 0.22 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 29.64 2enh n GLN 30 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2enh h HIS 31 N 0.04 -0.05 -1.40 1.08 2.76 -0.35 -3.04 115.15 114.19 2enh h HIS 31 Ca -0.36 -0.00 0.48 0.00 -2.20 0.00 0.00 60.37 58.29 2enh h HIS 31 Cb 2.03 0.02 -0.14 0.00 1.55 0.00 0.00 27.41 30.86 2enh h HIS 31 CO 0.04 0.33 0.90 1.04 -1.30 0.00 0.00 177.93 178.95 2enh n GLN 32 N -4.93 -0.04 -0.34 5.26 6.02 -0.52 -0.71 117.38 122.12 2enh n GLN 32 Ca -0.08 1.25 -0.00 0.00 -0.01 0.00 0.00 57.00 58.15 2enh n GLN 32 Cb 0.21 -2.48 0.04 0.00 1.02 0.00 0.00 30.24 29.04 2enh n GLN 32 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2enh n ARG 33 N -4.70 -0.20 -0.29 -1.09 5.12 -1.15 0.79 116.66 115.14 2enh n ARG 33 Ca 0.41 1.37 0.18 0.00 -1.93 0.00 0.00 57.85 57.88 2enh n ARG 33 Cb 1.58 -2.03 0.35 0.00 -1.16 0.00 0.00 32.46 31.20 2enh n ARG 33 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2enh n VAL 34 N -5.32 -0.37 -2.77 1.55 0.24 0.11 -4.03 118.33 107.74 2enh n VAL 34 Ca 0.10 1.87 -0.42 0.00 -2.04 0.00 0.00 64.34 63.84 2enh n VAL 34 Cb 0.36 -2.83 -0.03 0.00 -1.47 0.00 0.00 33.84 29.87 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 -5.65 3.44 0.05 6.34 3.76 0.24 -4.89 115.29 118.58 2enh s HIS 35 Ca -0.10 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.23 2enh s HIS 35 Cb 0.27 -3.12 0.00 0.00 1.11 0.00 0.00 32.58 30.84 2enh s HIS 35 CO 0.68 -0.27 0.00 0.45 -0.85 0.00 0.00 174.74 174.75 2enh n SER 36 N 5.31 0.41 0.00 1.40 2.88 -1.26 -4.99 113.62 117.38 2enh n SER 36 Ca 0.07 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2enh n SER 36 Cb 0.48 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2enh n SER 36 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enh n GLY 37 N 3.08 0.03 3.65 0.46 0.00 -1.26 -5.01 105.19 106.14 2enh n GLY 37 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -7.26 -1.46 1.61 1.02 -1.26 -4.85 120.64 108.43 2enh n GLU 38 Ca 0.00 0.78 -0.51 0.00 -0.02 0.00 0.00 57.16 57.41 2enh n GLU 38 Cb 0.00 -5.78 -0.05 0.00 -0.02 0.00 0.00 31.44 25.59 2enh n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2enh n LYS 39 N -4.84 0.21 -2.06 3.49 3.00 -1.26 -4.73 118.16 111.97 2enh n LYS 39 Ca -0.02 0.07 -0.27 0.00 -0.00 0.00 0.00 58.31 58.09 2enh n LYS 39 Cb 0.57 -1.30 -0.06 0.00 0.00 0.00 0.00 35.03 34.24 2enh n LYS 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2enh s PRO 40 N -0.66 2.51 1.16 1.64 0.04 -1.26 -4.96 135.00 133.47 2enh s PRO 40 Ca 0.73 -0.80 -0.17 0.00 0.04 0.00 0.00 61.00 60.80 2enh s PRO 40 Cb -1.01 -5.17 0.19 0.00 0.04 0.00 0.00 34.50 28.55 2enh s PRO 40 CO 0.56 -3.75 0.39 0.43 0.04 0.00 0.00 177.00 174.67 2enh n SER 41 N 14.26 -2.22 0.00 6.66 7.64 -1.26 -4.91 113.62 133.79 2enh n SER 41 Ca 0.43 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2enh n SER 41 Cb 0.47 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 2enh n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enh n GLY 42 N 1.68 -2.32 3.74 0.23 0.00 -1.26 -5.14 105.19 102.12 2enh n GLY 42 Ca 0.01 0.79 -0.41 0.00 0.00 0.00 0.00 46.02 46.41 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 4.40 0.73 1.61 0.04 -1.26 -5.02 135.00 135.49 2enh s PRO 43 Ca 0.00 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 2enh s PRO 43 Cb 0.00 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2enh s PRO 43 CO 0.00 -0.23 1.09 -1.54 0.04 0.00 0.00 177.00 176.36 2enh s SER 44 N 0.28 5.15 -1.21 6.66 1.04 -1.26 -4.14 113.70 120.22 2enh s SER 44 Ca 0.56 1.26 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 2enh s SER 44 Cb -0.36 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.70 2enh s SER 44 CO 0.39 -1.54 1.03 -1.20 0.98 0.00 0.00 173.24 172.90 2enh n SER 45 N -3.15 -3.88 -0.76 7.02 7.64 -1.26 -5.31 113.62 113.91 2enh n SER 45 Ca 0.07 -0.56 0.13 0.00 1.01 0.00 0.00 58.87 59.52 2enh n SER 45 Cb 0.56 -4.87 0.27 0.00 -1.01 0.00 0.00 64.21 59.17 2enh n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64