#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2em3 n SER 2 N 0.00 -4.07 -4.03 1.61 2.88 -1.26 -4.95 113.62 103.80 2em3 n SER 2 Ca 0.00 -0.78 -0.32 0.00 -1.33 0.00 0.00 58.87 56.44 2em3 n SER 2 Cb 0.00 -3.95 -0.15 0.00 -0.75 0.00 0.00 64.21 59.37 2em3 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2em3 s SER 3 N -3.54 4.81 0.25 -3.46 0.15 -1.26 -4.89 113.70 105.77 2em3 s SER 3 Ca 0.52 -2.18 0.00 0.00 0.70 0.00 0.00 55.95 54.99 2em3 s SER 3 Cb -0.26 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2em3 s SER 3 CO 0.82 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2em3 n GLY 4 N 4.25 -0.30 3.14 9.45 0.00 -1.26 -5.11 105.19 115.36 2em3 n GLY 4 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.87 0.02 -0.07 1.61 1.04 -1.26 -5.15 113.70 105.02 2em3 s SER 5 Ca 0.00 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.24 2em3 s SER 5 Cb 0.00 1.09 0.01 0.00 0.10 0.00 0.00 66.02 67.21 2em3 s SER 5 CO 0.00 -0.24 -0.15 -0.55 0.98 0.00 0.00 173.24 173.28 2em3 s SER 6 N 2.54 2.02 0.00 7.02 0.15 -1.26 -4.89 113.70 119.27 2em3 s SER 6 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 2em3 s SER 6 Cb -0.12 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 2em3 s SER 6 CO -0.11 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.01 2em3 n GLY 7 N 3.68 2.05 3.89 9.45 0.00 -1.26 -5.10 105.19 117.90 2em3 n GLY 7 Ca -0.22 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 0.00 3.00 0.00 2.61 -4.23 -1.26 -5.04 115.64 110.71 2em3 s THR 8 Ca 0.00 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2em3 s THR 8 Cb 0.00 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2em3 s THR 8 CO 0.00 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 2em3 n GLY 9 N -3.07 -0.04 3.23 3.99 0.00 -1.26 -5.11 105.19 102.92 2em3 n GLY 9 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 2em3 n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 10 N -0.05 0.37 0.46 1.61 2.12 -1.26 -5.14 118.70 116.80 2em3 s GLU 10 Ca 0.00 0.66 -0.22 0.00 0.36 0.00 0.00 54.97 55.77 2em3 s GLU 10 Cb 0.00 0.02 -0.11 0.00 0.26 0.00 0.00 34.13 34.30 2em3 s GLU 10 CO 0.00 -0.13 0.59 1.63 -0.54 0.00 0.00 175.26 176.81 2em3 n LYS 11 N 3.85 0.65 0.20 4.30 4.01 -1.26 -4.85 118.16 125.07 2em3 n LYS 11 Ca -0.21 0.24 0.15 0.00 -0.51 0.00 0.00 58.31 57.98 2em3 n LYS 11 Cb 0.55 -1.61 0.60 0.00 -0.51 0.00 0.00 35.03 34.06 2em3 n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2em3 h PRO 12 N 0.75 0.00 -4.07 1.97 0.13 -1.90 -3.41 132.00 125.47 2em3 h PRO 12 Ca -0.42 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.19 2em3 h PRO 12 Cb 1.39 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.15 2em3 h PRO 12 CO 0.51 0.00 -0.79 0.71 -0.23 0.00 0.00 178.00 178.20 2em3 s TYR 13 N -3.50 1.40 -0.03 1.56 2.02 -1.26 -5.12 117.35 112.42 2em3 s TYR 13 Ca 0.02 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 55.95 2em3 s TYR 13 Cb 0.09 -1.18 0.02 0.00 -0.40 0.00 0.00 41.96 40.49 2em3 s TYR 13 CO 0.46 -0.53 -0.02 -2.00 -1.57 0.00 0.00 175.55 171.89 2em3 s GLU 14 N 1.73 0.48 0.78 -0.62 2.56 -1.26 -2.34 118.70 120.04 2em3 s GLU 14 Ca 0.03 -0.03 -0.11 0.00 0.00 0.00 0.00 54.97 54.86 2em3 s GLU 14 Cb -0.14 -0.57 0.06 0.00 2.00 0.00 0.00 34.13 35.48 2em3 s GLU 14 CO -0.08 -0.07 1.09 0.00 -0.56 0.00 0.00 175.26 175.64 2em3 n LYS 16 N -3.39 1.32 0.30 0.00 4.01 -1.26 -3.57 118.16 115.58 2em3 n LYS 16 Ca 0.07 0.04 -0.12 0.00 -0.51 0.00 0.00 58.31 57.78 2em3 n LYS 16 Cb 0.56 -1.31 -0.06 0.00 -0.51 0.00 0.00 35.03 33.72 2em3 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2em3 h VAL 17 N 0.00 0.00 -0.53 -0.18 2.07 -1.98 -3.30 116.25 112.33 2em3 h VAL 17 Ca -0.33 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.83 2em3 h VAL 17 Cb 1.65 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2em3 h VAL 17 CO -0.01 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.69 2em3 n SER 19 N -0.25 -0.92 -4.78 0.00 3.41 -1.23 -4.81 113.62 105.03 2em3 n SER 19 Ca 0.32 -0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.47 2em3 n SER 19 Cb 1.18 -0.86 0.04 0.00 -0.26 0.00 0.00 64.21 64.32 2em3 n SER 19 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2em3 s LYS 20 N -4.20 2.87 -0.08 4.33 2.47 -1.26 -4.69 119.74 119.17 2em3 s LYS 20 Ca 0.23 1.26 0.03 0.00 -1.56 0.00 0.00 55.97 55.93 2em3 s LYS 20 Cb -0.13 -1.97 0.01 0.00 -1.46 0.00 0.00 37.83 34.27 2em3 s LYS 20 CO 0.28 -1.18 -0.18 0.00 0.16 0.00 0.00 175.35 174.43 2em3 s ALA 21 N -2.54 1.72 0.14 3.13 0.00 -1.26 -0.44 121.76 122.51 2em3 s ALA 21 Ca 0.64 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.99 2em3 s ALA 21 Cb -0.18 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 2em3 s ALA 21 CO 0.44 0.21 -0.21 -0.06 0.00 0.00 0.00 175.76 176.14 2em3 s PHE 22 N 0.49 1.92 -0.05 0.00 0.40 -0.99 -5.05 117.98 114.72 2em3 s PHE 22 Ca -0.17 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2em3 s PHE 22 Cb -0.17 -1.00 -0.25 0.00 0.51 0.00 0.00 43.02 42.11 2em3 s PHE 22 CO 0.06 0.30 0.66 0.00 0.70 0.00 0.00 175.22 176.95 2em3 h THR 23 N 3.63 0.90 -5.21 0.64 1.03 -2.01 -3.37 112.91 108.53 2em3 h THR 23 Ca -0.45 -2.65 -0.52 0.00 -0.01 0.00 0.00 66.41 62.78 2em3 h THR 23 Cb 1.19 2.56 -0.07 0.00 -1.07 0.00 0.00 68.15 70.76 2em3 h THR 23 CO 0.45 0.72 -0.32 0.00 -0.01 0.00 0.00 175.52 176.37 2em3 n GLN 24 N -3.31 0.90 -0.09 0.00 6.02 -1.26 -4.89 117.38 114.75 2em3 n GLN 24 Ca -0.20 -2.98 -0.16 0.00 -0.01 0.00 0.00 57.00 53.64 2em3 n GLN 24 Cb 1.04 0.57 -0.10 0.00 1.02 0.00 0.00 30.24 32.78 2em3 n GLN 24 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2em3 h LYS 25 N 0.00 0.00 -0.98 -1.09 6.56 -2.00 -3.35 116.57 115.70 2em3 h LYS 25 Ca -0.32 0.00 0.32 0.00 -1.06 0.00 0.00 60.65 59.59 2em3 h LYS 25 Cb 1.06 0.00 -0.18 0.00 -0.57 0.00 0.00 32.23 32.54 2em3 h LYS 25 CO 0.52 0.79 0.19 0.00 -2.06 0.00 0.00 179.45 178.89 2em3 n ALA 26 N -3.24 0.67 0.03 3.86 0.00 -1.26 0.49 120.51 121.06 2em3 n ALA 26 Ca -0.22 1.04 -0.11 0.00 0.00 0.00 0.00 53.44 54.15 2em3 n ALA 26 Cb 0.54 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 19.09 2em3 n ALA 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2em3 h HIS 27 N 0.00 -0.17 0.48 0.00 3.86 -1.98 0.13 115.15 117.47 2em3 h HIS 27 Ca 0.67 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.87 2em3 h HIS 27 Cb 1.55 0.08 0.00 0.00 1.06 0.00 0.00 27.41 30.11 2em3 h HIS 27 CO -0.34 -0.11 -0.23 1.25 0.86 0.00 0.00 177.93 179.36 2em3 h LEU 28 N -0.11 -0.55 -0.79 2.43 5.85 -0.09 -1.73 115.31 120.32 2em3 h LEU 28 Ca 0.04 -0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.86 2em3 h LEU 28 Cb 0.16 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 2em3 h LEU 28 CO -0.09 -0.20 0.26 0.00 -0.34 0.00 0.00 178.44 178.07 2em3 h ALA 29 N -0.61 1.12 0.00 1.25 0.00 -0.62 0.94 119.26 121.33 2em3 h ALA 29 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2em3 h ALA 29 Cb 0.59 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2em3 h ALA 29 CO 0.11 -0.32 0.00 0.37 0.00 0.00 0.00 179.25 179.41 2em3 h GLN 30 N 0.33 0.00 0.00 0.00 -0.00 -0.71 -3.18 115.11 111.55 2em3 h GLN 30 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.11 2em3 h GLN 30 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.29 2em3 h GLN 30 CO -0.51 0.00 -0.29 1.58 0.00 0.00 0.00 178.83 179.61 2em3 n HIS 31 N -2.61 0.46 -0.27 3.99 -0.00 0.28 -4.40 115.22 112.67 2em3 n HIS 31 Ca 0.02 0.20 0.09 0.00 0.46 0.00 0.00 57.72 58.49 2em3 n HIS 31 Cb 0.29 -0.51 0.19 0.00 -0.12 0.00 0.00 29.99 29.84 2em3 n HIS 31 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2em3 n GLN 32 N -3.52 -0.06 -0.29 1.57 1.13 0.15 0.73 117.38 117.09 2em3 n GLN 32 Ca -0.04 1.17 0.11 0.00 -1.94 0.00 0.00 57.00 56.29 2em3 n GLN 32 Cb 0.15 -1.82 0.21 0.00 0.11 0.00 0.00 30.24 28.89 2em3 n GLN 32 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 2em3 n LYS 33 N -5.13 -0.07 -0.23 -1.09 2.85 -1.20 0.19 118.16 113.47 2em3 n LYS 33 Ca 0.16 1.26 -0.03 0.00 -1.05 0.00 0.00 58.31 58.66 2em3 n LYS 33 Cb 0.53 -1.98 0.08 0.00 -0.65 0.00 0.00 35.03 33.01 2em3 n LYS 33 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2em3 h THR 34 N 0.00 1.04 -2.82 0.58 1.35 0.08 -3.41 112.91 109.73 2em3 h THR 34 Ca 0.48 -0.26 -0.53 0.00 -0.55 0.00 0.00 66.41 65.55 2em3 h THR 34 Cb 0.93 0.21 0.04 0.00 -1.73 0.00 0.00 68.15 67.60 2em3 h THR 34 CO -0.80 0.14 0.88 -1.00 -0.25 0.00 0.00 175.52 174.49 2em3 s HIS 35 N -6.11 3.01 -0.03 4.73 3.76 0.49 -4.92 115.29 116.22 2em3 s HIS 35 Ca -0.13 0.62 -0.11 0.00 -0.15 0.00 0.00 55.06 55.29 2em3 s HIS 35 Cb 0.15 -3.91 -0.31 0.00 1.11 0.00 0.00 32.58 29.62 2em3 s HIS 35 CO 0.76 -3.39 0.72 1.15 -0.85 0.00 0.00 174.74 173.14 2em3 h THR 36 N 4.11 0.99 0.00 1.30 2.02 -1.81 -3.49 112.91 116.04 2em3 h THR 36 Ca -0.43 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.20 2em3 h THR 36 Cb 1.20 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2em3 h THR 36 CO 0.91 0.85 0.00 0.61 0.37 0.00 0.00 175.52 178.26 2em3 n GLY 37 N 1.84 2.10 3.66 2.16 0.00 -1.26 -4.96 105.19 108.72 2em3 n GLY 37 Ca -0.23 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 2em3 n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2em3 s GLU 38 N 0.00 4.27 0.20 1.61 2.12 -1.26 -5.01 118.70 120.62 2em3 s GLU 38 Ca 0.00 1.27 -0.30 0.00 0.36 0.00 0.00 54.97 56.30 2em3 s GLU 38 Cb 0.00 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 2em3 s GLU 38 CO 0.00 -0.55 1.20 -1.59 -0.54 0.00 0.00 175.26 173.77 2em3 s LYS 39 N 2.93 4.49 0.88 4.30 -2.85 -1.26 -5.02 119.74 123.21 2em3 s LYS 39 Ca 0.42 1.89 -0.11 0.00 -1.00 0.00 0.00 55.97 57.17 2em3 s LYS 39 Cb -0.16 -3.23 0.12 0.00 -2.06 0.00 0.00 37.83 32.50 2em3 s LYS 39 CO 0.08 -0.07 1.09 -1.25 0.10 0.00 0.00 175.35 175.30 2em3 s PRO 40 N -0.39 1.42 -0.71 1.78 0.04 -1.26 -5.01 135.00 130.87 2em3 s PRO 40 Ca 0.52 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.42 2em3 s PRO 40 Cb -0.33 -1.82 0.18 0.00 0.04 0.00 0.00 34.50 32.56 2em3 s PRO 40 CO 0.38 -2.14 0.54 -1.12 0.04 0.00 0.00 177.00 174.69 2em3 s SER 41 N -3.42 5.34 -0.31 6.66 0.01 -1.26 -4.89 113.70 115.83 2em3 s SER 41 Ca 0.63 -3.24 -0.22 0.00 1.31 0.00 0.00 55.95 54.43 2em3 s SER 41 Cb -0.18 -1.83 0.03 0.00 0.21 0.00 0.00 66.02 64.25 2em3 s SER 41 CO 0.57 -0.27 0.41 0.61 0.41 0.00 0.00 173.24 174.97 2em3 n GLY 42 N 2.94 -0.43 0.25 3.44 0.00 -1.26 -4.41 105.19 105.71 2em3 n GLY 42 Ca 0.13 0.79 0.16 0.00 0.00 0.00 0.00 46.02 47.11 2em3 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2em3 h PRO 43 N 2.59 0.00 0.00 1.61 0.13 -1.94 -0.52 132.00 133.88 2em3 h PRO 43 Ca -0.29 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.57 2em3 h PRO 43 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.21 2em3 h PRO 43 CO 0.15 0.00 -1.93 0.43 -0.23 0.00 0.00 178.00 176.42 2em3 n SER 44 N -2.90 1.48 0.06 1.44 7.64 -1.26 -4.78 113.62 115.29 2em3 n SER 44 Ca 0.01 0.15 -0.08 0.00 1.01 0.00 0.00 58.87 59.96 2em3 n SER 44 Cb 0.28 -0.45 -0.05 0.00 -1.01 0.00 0.00 64.21 62.98 2em3 n SER 44 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2em3 h SER 45 N -0.49 -0.20 0.00 6.43 0.87 -1.92 -3.56 113.55 114.68 2em3 h SER 45 Ca -0.41 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 59.92 2em3 h SER 45 Cb 1.41 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2em3 h SER 45 CO -0.22 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.03