#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 h SER 2 N 0.00 -0.20 -0.97 1.61 0.87 -2.13 -3.45 113.55 109.27 2em3 h SER 2 Ca 0.00 -0.32 -0.75 0.00 -1.23 0.00 0.00 61.79 59.48 2em3 h SER 2 Cb 0.00 0.05 0.05 0.00 -0.44 0.00 0.00 62.40 62.07 2em3 h SER 2 CO 0.00 0.33 0.01 -1.20 -0.53 0.00 0.00 176.83 175.45 2em3 n SER 3 N -4.94 -0.11 0.00 6.23 7.64 -1.26 -4.79 113.62 116.40 2em3 n SER 3 Ca -0.08 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2em3 n SER 3 Cb 0.26 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2em3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em3 n GLY 4 N 1.49 3.89 3.37 0.23 0.00 -1.26 -5.14 105.19 107.77 2em3 n GLY 4 Ca 0.19 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.75 2em3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2em3 s SER 5 N 0.00 -1.08 -0.26 1.61 1.04 -1.26 -5.12 113.70 108.63 2em3 s SER 5 Ca 0.00 1.05 -0.40 0.00 0.48 0.00 0.00 55.95 57.08 2em3 s SER 5 Cb 0.00 2.06 -0.16 0.00 0.10 0.00 0.00 66.02 68.02 2em3 s SER 5 CO 0.00 -0.20 1.71 -1.20 0.98 0.00 0.00 173.24 174.53 2em3 n SER 6 N 5.37 2.29 0.00 7.02 7.64 -1.26 -4.91 113.62 129.77 2em3 n SER 6 Ca -0.07 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2em3 n SER 6 Cb 0.51 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2em3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2em3 n GLY 7 N 4.06 1.70 3.64 0.23 0.00 -1.26 -5.13 105.19 108.42 2em3 n GLY 7 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 2em3 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2em3 s THR 8 N 3.76 3.84 -0.47 2.61 -4.23 -1.26 -5.08 115.64 114.81 2em3 s THR 8 Ca 0.00 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 59.77 2em3 s THR 8 Cb 0.00 -2.73 0.18 0.00 1.34 0.00 0.00 72.50 71.29 2em3 s THR 8 CO 0.00 0.31 0.63 -0.83 -0.54 0.00 0.00 174.62 174.19 2em3 s GLY 9 N -1.70 -0.84 -0.13 3.99 0.00 -1.26 -5.12 107.32 102.26 2em3 s GLY 9 Ca 0.20 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.33 2em3 s GLY 9 CO 0.11 3.38 -0.15 -1.83 0.00 0.00 0.00 173.10 174.61 2em3 s GLU 10 N 1.03 2.28 -0.22 2.90 -1.05 -1.26 -5.11 118.70 117.27 2em3 s GLU 10 Ca 0.26 -0.57 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 2em3 s GLU 10 Cb -0.02 -2.02 0.11 0.00 -0.44 0.00 0.00 34.13 31.76 2em3 s GLU 10 CO -0.07 -0.15 0.92 -1.59 0.95 0.00 0.00 175.26 175.31 2em3 s LYS 11 N 1.24 0.67 0.25 -4.83 0.00 -1.26 -4.98 119.74 110.83 2em3 s LYS 11 Ca -0.01 0.51 0.23 0.00 0.00 0.00 0.00 55.97 56.71 2em3 s LYS 11 Cb -0.14 0.32 0.97 0.00 0.00 0.00 0.00 37.83 38.99 2em3 s LYS 11 CO -0.06 -0.14 1.70 -0.35 0.00 0.00 0.00 175.35 176.50 2em3 n PRO 12 N 1.74 0.19 -3.56 1.78 -0.04 -1.26 -4.54 135.00 129.30 2em3 n PRO 12 Ca -0.13 0.42 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 2em3 n PRO 12 Cb 0.56 -1.86 -0.11 0.00 -0.04 0.00 0.00 33.50 32.05 2em3 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2em3 s TYR 13 N -3.31 3.22 -0.05 0.54 2.02 -1.26 -5.06 117.35 113.45 2em3 s TYR 13 Ca 0.04 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 2em3 s TYR 13 Cb 0.09 -2.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.21 2em3 s TYR 13 CO 0.38 -0.47 0.12 -2.00 -1.57 0.00 0.00 175.55 172.01 2em3 s GLU 14 N 1.66 0.09 0.60 -0.62 -6.30 -1.26 -1.89 118.70 110.98 2em3 s GLU 14 Ca 0.05 0.26 -0.06 0.00 -2.50 0.00 0.00 54.97 52.72 2em3 s GLU 14 Cb -0.18 -0.08 0.01 0.00 0.00 0.00 0.00 34.13 33.88 2em3 s GLU 14 CO 0.09 -0.10 0.91 0.00 0.02 0.00 0.00 175.26 176.18 2em3 n LYS 16 N -2.60 1.91 -0.01 0.00 3.00 -1.26 -3.52 118.16 115.68 2em3 n LYS 16 Ca 0.05 0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.25 2em3 n LYS 16 Cb 0.58 -1.09 -0.07 0.00 0.00 0.00 0.00 35.03 34.45 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2em3 h VAL 17 N 0.00 1.16 0.00 3.15 2.07 -1.94 -3.33 116.25 117.36 2em3 h VAL 17 Ca -0.10 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2em3 h VAL 17 Cb 1.19 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2em3 h VAL 17 CO -0.00 0.14 -1.33 0.00 0.02 0.00 0.00 177.57 176.39 2em3 n SER 19 N -1.77 -2.76 -4.59 0.00 2.88 -1.23 -5.01 113.62 101.15 2em3 n SER 19 Ca -0.01 0.04 -0.40 0.00 -1.33 0.00 0.00 58.87 57.17 2em3 n SER 19 Cb 0.27 -1.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.02 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2em3 s LYS 20 N -3.61 3.86 0.38 -1.46 2.20 -1.26 -4.68 119.74 115.17 2em3 s LYS 20 Ca 0.00 0.02 -0.00 0.00 -0.36 0.00 0.00 55.97 55.63 2em3 s LYS 20 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 2em3 s LYS 20 CO 0.00 -0.45 0.60 0.00 -0.36 0.00 0.00 175.35 175.14 2em3 s ALA 21 N 2.27 3.66 -0.01 3.13 0.00 -1.26 -2.31 121.76 127.23 2em3 s ALA 21 Ca 0.18 -0.87 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 2em3 s ALA 21 Cb -0.16 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2em3 s ALA 21 CO 0.11 -0.12 0.05 -0.06 0.00 0.00 0.00 175.76 175.73 2em3 s PHE 22 N -2.42 0.02 0.22 0.00 0.40 -0.79 -4.98 117.98 110.43 2em3 s PHE 22 Ca 0.42 -0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.67 2em3 s PHE 22 Cb -0.10 -0.03 0.19 0.00 0.51 0.00 0.00 43.02 43.59 2em3 s PHE 22 CO 0.38 -0.10 1.72 1.79 0.70 0.00 0.00 175.22 179.71 2em3 h THR 23 N 4.88 1.26 -1.77 0.64 1.35 -1.94 -3.37 112.91 113.95 2em3 h THR 23 Ca -0.27 -1.04 -0.55 0.00 -0.55 0.00 0.00 66.41 64.01 2em3 h THR 23 Cb 1.21 0.74 -0.08 0.00 -1.73 0.00 0.00 68.15 68.28 2em3 h THR 23 CO 0.45 0.38 -0.52 -1.10 -0.25 0.00 0.00 175.52 174.48 2em3 s GLN 24 N -5.10 2.31 0.07 4.72 -0.21 -1.26 -4.90 119.66 115.30 2em3 s GLN 24 Ca -0.11 -1.65 0.08 0.00 0.02 0.00 0.00 55.36 53.70 2em3 s GLN 24 Cb 0.14 -2.11 -0.22 0.00 1.00 0.00 0.00 33.01 31.83 2em3 s GLN 24 CO 0.84 0.02 1.11 1.57 -2.12 0.00 0.00 175.29 176.70 2em3 h LYS 25 N 1.50 0.01 -0.90 2.91 -0.00 -2.00 -3.29 116.57 114.79 2em3 h LYS 25 Ca -0.43 -0.02 0.07 0.00 -0.00 0.00 0.00 60.65 60.27 2em3 h LYS 25 Cb 1.25 0.01 -0.06 0.00 -0.00 0.00 0.00 32.23 33.43 2em3 h LYS 25 CO 0.65 0.87 0.59 0.00 -0.00 0.00 0.00 179.45 181.56 2em3 h ALA 26 N 0.98 1.52 0.04 0.07 0.00 -1.98 0.20 119.26 120.09 2em3 h ALA 26 Ca -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2em3 h ALA 26 Cb 1.84 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2em3 h ALA 26 CO 0.12 0.34 -0.02 0.45 0.00 0.00 0.00 179.25 180.13 2em3 h HIS 27 N 1.01 -0.05 0.85 0.00 3.86 -1.98 -2.43 115.15 116.41 2em3 h HIS 27 Ca 0.39 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.56 2em3 h HIS 27 Cb 0.22 0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.71 2em3 h HIS 27 CO -0.00 0.39 -0.41 1.25 0.86 0.00 0.00 177.93 180.02 2em3 h LEU 28 N -0.51 -0.96 -0.78 2.43 5.85 -1.54 -0.32 115.31 119.48 2em3 h LEU 28 Ca -0.01 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.92 2em3 h LEU 28 Cb 0.46 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 2em3 h LEU 28 CO 0.01 -0.66 0.07 0.00 -0.34 0.00 0.00 178.44 177.52 2em3 h ALA 29 N -1.06 0.90 -0.33 1.25 0.00 -0.73 0.43 119.26 119.73 2em3 h ALA 29 Ca -0.12 0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2em3 h ALA 29 Cb 0.88 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2em3 h ALA 29 CO 0.19 -0.42 -0.11 0.37 0.00 0.00 0.00 179.25 179.28 2em3 h GLN 30 N 0.14 0.56 0.01 0.00 4.15 -1.30 -3.10 115.11 115.58 2em3 h GLN 30 Ca 0.44 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.70 2em3 h GLN 30 Cb 0.80 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2em3 h GLN 30 CO -0.64 0.67 -0.01 1.25 -1.93 0.00 0.00 178.83 178.17 2em3 h HIS 31 N 0.52 -0.02 -1.64 3.99 2.76 0.15 -2.93 115.15 117.98 2em3 h HIS 31 Ca 0.10 -0.00 0.48 0.00 -2.20 0.00 0.00 60.37 58.74 2em3 h HIS 31 Cb 0.50 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.40 2em3 h HIS 31 CO 0.02 0.34 1.30 1.96 -1.30 0.00 0.00 177.93 180.26 2em3 h GLN 32 N -0.38 0.00 -0.50 5.26 4.20 -0.68 0.50 115.11 123.50 2em3 h GLN 32 Ca -0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.79 2em3 h GLN 32 Cb 0.37 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 2em3 h GLN 32 CO 0.00 0.00 0.09 0.87 -0.67 0.00 0.00 178.83 179.12 2em3 h LYS 33 N 0.00 0.22 -0.02 1.46 1.57 -1.58 0.12 116.57 118.33 2em3 h LYS 33 Ca 0.78 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.55 2em3 h LYS 33 Cb 3.38 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 35.64 2em3 h LYS 33 CO -0.01 0.14 0.02 0.00 -0.57 0.00 0.00 179.45 179.03 2em3 h THR 34 N 0.22 0.86 0.05 -0.16 1.03 -0.18 -2.59 112.91 112.15 2em3 h THR 34 Ca 0.25 0.00 -0.09 0.00 -0.01 0.00 0.00 66.41 66.56 2em3 h THR 34 Cb 0.34 0.99 0.01 0.00 -1.07 0.00 0.00 68.15 68.42 2em3 h THR 34 CO -0.34 0.00 -0.37 0.45 -0.01 0.00 0.00 175.52 175.25 2em3 h HIS 35 N 0.00 0.29 -3.24 0.00 3.86 -0.94 -3.43 115.15 111.69 2em3 h HIS 35 Ca 0.01 -0.19 -0.70 0.00 -1.16 0.00 0.00 60.37 58.33 2em3 h HIS 35 Cb 0.05 -0.02 -0.20 0.00 1.06 0.00 0.00 27.41 28.30 2em3 h HIS 35 CO 0.00 1.09 -0.07 0.95 0.86 0.00 0.00 177.93 180.76 2em3 s THR 36 N -2.61 4.99 0.00 2.45 -4.23 0.10 -4.58 115.64 111.75 2em3 s THR 36 Ca -0.16 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 2em3 s THR 36 Cb -0.00 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.58 2em3 s THR 36 CO 0.76 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2em3 n GLY 37 N 5.19 -1.27 3.90 3.99 0.00 -1.26 -4.72 105.19 111.03 2em3 n GLY 37 Ca -0.09 0.49 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 2em3 n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2em3 s GLU 38 N 0.00 2.45 -0.63 1.61 4.04 -1.26 -4.81 118.70 120.10 2em3 s GLU 38 Ca 0.00 0.12 -0.14 0.00 0.04 0.00 0.00 54.97 54.99 2em3 s GLU 38 Cb 0.00 -2.07 -0.17 0.00 0.02 0.00 0.00 34.13 31.91 2em3 s GLU 38 CO 0.00 -1.19 1.57 1.17 -1.84 0.00 0.00 175.26 174.97 2em3 n LYS 39 N -3.01 0.00 -2.04 -4.83 4.81 -1.26 -4.72 118.16 107.11 2em3 n LYS 39 Ca 0.07 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.12 2em3 n LYS 39 Cb 0.59 -0.82 -0.03 0.00 0.02 0.00 0.00 35.03 34.79 2em3 n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2em3 s PRO 40 N 5.19 2.65 -1.00 1.64 0.04 -1.26 -4.93 135.00 137.34 2em3 s PRO 40 Ca 0.85 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 2em3 s PRO 40 Cb -0.69 -4.38 0.07 0.00 0.04 0.00 0.00 34.50 29.54 2em3 s PRO 40 CO 0.33 -2.70 1.36 0.45 0.04 0.00 0.00 177.00 176.48 2em3 s SER 41 N 8.03 6.54 0.05 6.66 0.15 -1.26 -4.90 113.70 128.97 2em3 s SER 41 Ca 0.68 -1.63 -0.28 0.00 0.70 0.00 0.00 55.95 55.42 2em3 s SER 41 Cb -0.13 -2.52 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 2em3 s SER 41 CO 0.21 -1.38 1.16 -0.83 1.20 0.00 0.00 173.24 173.60 2em3 s GLY 42 N 4.59 -0.34 -0.27 9.45 0.00 -1.26 -5.11 107.32 114.38 2em3 s GLY 42 Ca 0.42 0.48 -0.29 0.00 0.00 0.00 0.00 44.72 45.33 2em3 s GLY 42 CO -0.10 0.08 1.65 2.56 0.00 0.00 0.00 173.10 177.29 2em3 s PRO 43 N -2.77 3.64 0.09 2.90 0.04 -1.26 -4.91 135.00 132.73 2em3 s PRO 43 Ca 0.13 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.43 2em3 s PRO 43 Cb 0.02 -4.08 -0.13 0.00 0.04 0.00 0.00 34.50 30.35 2em3 s PRO 43 CO -0.01 -1.48 1.68 0.66 0.04 0.00 0.00 177.00 177.88 2em3 h SER 44 N 11.33 -0.41 -3.41 6.66 4.64 -1.95 -3.39 113.55 127.02 2em3 h SER 44 Ca -0.33 0.03 -0.62 0.00 -0.47 0.00 0.00 61.79 60.41 2em3 h SER 44 Cb 1.15 0.13 -0.40 0.00 -0.31 0.00 0.00 62.40 62.98 2em3 h SER 44 CO 1.02 -0.25 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.55 2em3 s SER 45 N -4.87 4.33 0.00 4.97 0.01 -1.26 -4.99 113.70 111.88 2em3 s SER 45 Ca -0.15 -1.92 0.00 0.00 1.31 0.00 0.00 55.95 55.19 2em3 s SER 45 Cb 0.06 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 65.09 2em3 s SER 45 CO 0.65 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.52