#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl s SER 2 N 0.00 -0.21 -0.16 1.61 0.15 -1.26 -3.35 113.70 110.48 2dkl s SER 2 Ca 0.00 0.50 -0.05 0.00 0.70 0.00 0.00 55.95 57.10 2dkl s SER 2 Cb 0.00 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2dkl s SER 2 CO 0.00 -0.17 0.11 -0.44 1.20 0.00 0.00 173.24 173.94 2dkl s SER 3 N 1.31 2.07 -0.28 5.45 0.01 -1.26 -5.13 113.70 115.88 2dkl s SER 3 Ca -0.09 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.44 2dkl s SER 3 Cb -0.11 -0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.15 2dkl s SER 3 CO -0.08 -0.34 1.21 -0.83 0.41 0.00 0.00 173.24 173.61 2dkl s GLY 4 N 2.17 0.05 -0.02 3.44 0.00 -1.26 -5.07 107.32 106.63 2dkl s GLY 4 Ca 0.03 2.97 -0.03 0.00 0.00 0.00 0.00 44.72 47.69 2dkl s GLY 4 CO -0.09 1.76 -0.06 -1.14 0.00 0.00 0.00 173.10 173.57 2dkl n SER 5 N 1.74 0.62 -4.31 1.64 3.41 -1.26 -5.05 113.62 110.41 2dkl n SER 5 Ca -0.11 0.09 -0.32 0.00 -0.26 0.00 0.00 58.87 58.28 2dkl n SER 5 Cb 0.57 -0.23 -0.16 0.00 -0.26 0.00 0.00 64.21 64.13 2dkl n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dkl s SER 6 N -5.61 3.25 0.33 4.04 0.01 -1.26 -5.13 113.70 109.32 2dkl s SER 6 Ca -0.07 -0.45 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2dkl s SER 6 Cb 0.02 -0.76 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 2dkl s SER 6 CO 0.09 0.27 0.12 -0.83 0.41 0.00 0.00 173.24 173.30 2dkl s GLY 7 N -0.32 2.16 0.00 3.44 0.00 -1.26 -5.09 107.32 106.25 2dkl s GLY 7 Ca 0.01 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.04 2dkl s GLY 7 CO 0.02 -1.70 0.00 0.61 0.00 0.00 0.00 173.10 172.04 2dkl n GLY 8 N -0.67 -0.03 3.78 0.20 0.00 -1.26 -4.98 105.19 102.23 2dkl n GLY 8 Ca -0.02 -1.42 -0.26 0.00 0.00 0.00 0.00 46.02 44.32 2dkl n GLY 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dkl n MET 9 N 1.29 -6.07 -2.89 1.61 2.81 -1.26 -4.92 117.12 107.69 2dkl n MET 9 Ca 0.00 0.67 -0.42 0.00 -1.81 0.00 0.00 57.70 56.14 2dkl n MET 9 Cb 0.00 -5.55 -0.04 0.00 -0.71 0.00 0.00 33.22 26.91 2dkl n MET 9 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 2dkl s LYS 10 N -6.37 3.89 -0.32 0.03 2.47 -1.26 -4.92 119.74 113.26 2dkl s LYS 10 Ca 0.49 0.56 0.07 0.00 -1.56 0.00 0.00 55.97 55.53 2dkl s LYS 10 Cb -0.24 -3.77 0.45 0.00 -1.46 0.00 0.00 37.83 32.82 2dkl s LYS 10 CO 0.80 -0.81 1.18 -2.37 0.16 0.00 0.00 175.35 174.31 2dkl n THR 11 N 5.74 2.50 -0.31 3.43 5.66 -1.26 -4.85 114.28 125.19 2dkl n THR 11 Ca 0.05 -4.35 0.16 0.00 -3.05 0.00 0.00 64.05 56.86 2dkl n THR 11 Cb 0.48 -1.16 0.34 0.00 -1.55 0.00 0.00 70.33 68.43 2dkl n THR 11 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2dkl h SER 12 N 2.25 0.02 0.00 1.09 0.02 -2.03 -3.47 113.55 111.44 2dkl h SER 12 Ca 0.36 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 2dkl h SER 12 Cb 1.42 0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.25 2dkl h SER 12 CO 0.78 -0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 2dkl n GLY 13 N -1.37 -0.48 3.55 -3.77 0.00 -1.26 -5.10 105.19 96.75 2dkl n GLY 13 Ca 0.24 0.24 -0.50 0.00 0.00 0.00 0.00 46.02 46.00 2dkl n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkl n LYS 14 N 0.00 1.43 -3.85 1.61 3.00 -1.26 -4.91 118.16 114.17 2dkl n LYS 14 Ca 0.00 0.45 -0.33 0.00 -0.00 0.00 0.00 58.31 58.43 2dkl n LYS 14 Cb 0.00 -2.54 -0.12 0.00 0.00 0.00 0.00 35.03 32.37 2dkl n LYS 14 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2dkl s GLN 15 N 5.41 2.16 0.43 1.64 -0.21 -1.26 -5.09 119.66 122.74 2dkl s GLN 15 Ca 1.03 -2.45 0.08 0.00 0.02 0.00 0.00 55.36 54.04 2dkl s GLN 15 Cb -0.80 -3.49 0.02 0.00 1.00 0.00 0.00 33.01 29.74 2dkl s GLN 15 CO 0.50 -1.11 0.59 -0.51 -2.12 0.00 0.00 175.29 172.64 2dkl s ASP 16 N 0.37 5.61 -0.14 5.90 1.01 -1.26 -5.05 116.67 123.12 2dkl s ASP 16 Ca 0.16 -0.43 -0.02 0.00 0.71 0.00 0.00 52.55 52.97 2dkl s ASP 16 Cb -0.23 -0.62 -0.24 0.00 1.01 0.00 0.00 42.92 42.84 2dkl s ASP 16 CO -0.02 -0.81 0.30 1.21 0.21 0.00 0.00 175.17 176.05 2dkl n GLU 17 N -1.89 0.73 -0.24 8.23 2.13 -1.26 -4.03 120.64 124.31 2dkl n GLU 17 Ca 0.08 0.24 0.01 0.00 0.66 0.00 0.00 57.16 58.15 2dkl n GLU 17 Cb 0.59 -1.68 0.08 0.00 0.27 0.00 0.00 31.44 30.70 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dkl h ALA 18 N 0.19 0.48 -0.33 4.31 0.00 -2.01 0.42 119.26 122.33 2dkl h ALA 18 Ca -0.44 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2dkl h ALA 18 Cb 2.02 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 20.30 2dkl h ALA 18 CO 0.06 -0.42 0.04 0.11 0.00 0.00 0.00 179.25 179.04 2dkl h TRP 19 N 0.01 0.51 -0.33 0.00 5.08 -2.01 -2.79 115.95 116.42 2dkl h TRP 19 Ca 0.34 -0.04 -0.04 0.00 1.08 0.00 0.00 58.89 60.22 2dkl h TRP 19 Cb 0.52 -0.15 -0.01 0.00 -3.00 0.00 0.00 29.16 26.52 2dkl h TRP 19 CO -0.54 0.48 0.03 0.82 -1.28 0.00 0.00 178.44 177.94 2dkl h ILE 20 N 0.48 1.25 -0.94 0.12 2.04 -0.39 -2.99 117.51 117.07 2dkl h ILE 20 Ca 0.11 -0.88 0.39 0.00 1.00 0.00 0.00 64.86 65.48 2dkl h ILE 20 Cb 0.26 1.18 -0.17 0.00 -0.74 0.00 0.00 36.82 37.35 2dkl h ILE 20 CO 0.00 0.29 0.48 0.80 0.00 0.00 0.00 178.15 179.73 2dkl n MET 21 N -4.57 -0.06 -0.05 2.37 1.56 -0.06 0.12 117.12 116.42 2dkl n MET 21 Ca -0.02 1.31 -0.09 0.00 -0.27 0.00 0.00 57.70 58.63 2dkl n MET 21 Cb 0.24 -2.34 -0.02 0.00 2.15 0.00 0.00 33.22 33.25 2dkl n MET 21 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 2dkl h SER 22 N 0.00 0.15 -1.00 6.12 0.87 -1.63 -2.91 113.55 115.15 2dkl h SER 22 Ca 0.79 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 61.50 2dkl h SER 22 Cb 2.07 -0.01 -0.15 0.00 -0.44 0.00 0.00 62.40 63.87 2dkl h SER 22 CO -0.74 0.12 -0.44 0.54 -0.53 0.00 0.00 176.83 175.78 2dkl n ARG 23 N -5.00 -0.29 -0.16 2.24 1.74 0.31 0.16 116.66 115.66 2dkl n ARG 23 Ca -0.02 1.53 0.12 0.00 -0.77 0.00 0.00 57.85 58.70 2dkl n ARG 23 Cb 0.06 -2.26 0.45 0.00 -1.02 0.00 0.00 32.46 29.70 2dkl n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2dkl h LEU 24 N 0.00 0.48 -0.43 0.55 3.38 -1.53 -1.40 115.31 116.36 2dkl h LEU 24 Ca 0.30 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 2dkl h LEU 24 Cb 0.54 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2dkl h LEU 24 CO -0.97 0.28 0.08 0.40 0.09 0.00 0.00 178.44 178.32 2dkl h ILE 25 N 0.53 1.24 -0.56 1.22 1.08 0.16 -2.50 117.51 118.68 2dkl h ILE 25 Ca 0.34 -0.85 0.16 0.00 -0.39 0.00 0.00 64.86 64.13 2dkl h ILE 25 Cb 0.61 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2dkl h ILE 25 CO -0.12 0.29 0.59 0.50 -0.69 0.00 0.00 178.15 178.73 2dkl h LYS 26 N 0.56 0.00 -0.06 2.37 1.63 -0.03 0.47 116.57 121.51 2dkl h LYS 26 Ca 0.13 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.71 2dkl h LYS 26 Cb 0.35 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2dkl h LYS 26 CO 0.01 0.00 -0.88 1.96 -3.45 0.00 0.00 179.45 177.09 2dkl h GLN 27 N 0.00 0.57 0.12 1.90 1.08 -1.44 -3.14 115.11 114.19 2dkl h GLN 27 Ca 0.27 -0.54 -0.17 0.00 -1.45 0.00 0.00 58.65 56.76 2dkl h GLN 27 Cb 1.44 0.13 0.02 0.00 -0.05 0.00 0.00 27.48 29.02 2dkl h GLN 27 CO -0.00 1.16 -0.75 -0.07 -0.95 0.00 0.00 178.83 178.22 2dkl h LEU 28 N 0.35 0.38 -1.97 1.46 4.07 -0.26 -3.27 115.31 116.08 2dkl h LEU 28 Ca -0.07 -0.95 0.22 0.00 0.08 0.00 0.00 57.88 57.16 2dkl h LEU 28 Cb 1.50 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 43.08 2dkl h LEU 28 CO 0.16 1.35 0.59 0.71 -1.08 0.00 0.00 178.44 180.18 2dkl h THR 29 N -0.47 0.51 -0.03 0.22 1.35 -0.70 0.27 112.91 114.05 2dkl h THR 29 Ca -0.14 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.49 2dkl h THR 29 Cb 1.55 0.57 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2dkl h THR 29 CO 0.11 0.00 -0.91 -0.78 -0.25 0.00 0.00 175.52 173.69 2dkl h ASP 30 N 0.00 0.66 0.00 5.36 3.58 -1.61 -3.37 116.42 121.04 2dkl h ASP 30 Ca 0.36 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2dkl h ASP 30 Cb 1.54 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.39 2dkl h ASP 30 CO -0.00 1.29 0.00 0.23 -2.88 0.00 0.00 179.24 177.88 2dkl n MET 31 N -3.81 0.00 0.00 0.28 2.81 0.91 -4.92 117.12 112.39 2dkl n MET 31 Ca -0.07 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2dkl n MET 31 Cb 0.82 -1.32 0.00 0.00 -0.71 0.00 0.00 33.22 32.01 2dkl n MET 31 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dkl n GLY 32 N -0.57 0.00 3.13 3.03 0.00 -1.05 -5.14 105.19 104.60 2dkl n GLY 32 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2dkl n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dkl s PHE 33 N 0.00 1.18 1.12 1.61 0.08 -1.22 -5.07 117.98 115.69 2dkl s PHE 33 Ca 0.00 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 56.54 2dkl s PHE 33 Cb 0.00 -0.71 0.25 0.00 -0.57 0.00 0.00 43.02 41.99 2dkl s PHE 33 CO 0.00 0.03 1.10 -1.25 -0.10 0.00 0.00 175.22 175.00 2dkl s PRO 34 N -1.10 -0.52 0.10 0.24 0.04 -1.26 -3.67 135.00 128.83 2dkl s PRO 34 Ca 0.01 0.19 0.12 0.00 0.04 0.00 0.00 61.00 61.36 2dkl s PRO 34 Cb -0.08 -1.66 -0.14 0.00 0.04 0.00 0.00 34.50 32.67 2dkl s PRO 34 CO 0.01 -3.30 1.06 0.07 0.04 0.00 0.00 177.00 174.89 2dkl h ARG 35 N -2.29 0.00 -0.30 4.56 -0.00 -1.97 -3.23 114.38 111.15 2dkl h ARG 35 Ca -0.50 0.00 0.03 0.00 -0.00 0.00 0.00 59.98 59.52 2dkl h ARG 35 Cb 1.31 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.23 2dkl h ARG 35 CO 0.45 0.62 -0.30 0.93 -0.00 0.00 0.00 179.97 181.67 2dkl h GLU 36 N 0.00 -0.15 0.05 0.08 5.08 -2.00 -0.20 114.58 117.44 2dkl h GLU 36 Ca -0.11 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2dkl h GLU 36 Cb 1.71 0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.00 2dkl h GLU 36 CO 0.09 -0.10 -0.02 -1.00 -1.00 0.00 0.00 179.01 176.97 2dkl h PRO 37 N -0.15 -0.06 -0.49 2.33 0.13 -1.99 -2.76 132.00 129.01 2dkl h PRO 37 Ca 0.05 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.33 2dkl h PRO 37 Cb 0.29 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 2dkl h PRO 37 CO -0.37 0.40 0.81 0.00 -0.23 0.00 0.00 178.00 178.61 2dkl h ALA 38 N 0.36 2.27 0.00 -0.56 0.00 -1.54 0.26 119.26 120.04 2dkl h ALA 38 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2dkl h ALA 38 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2dkl h ALA 38 CO 0.01 -1.06 -0.88 1.49 0.00 0.00 0.00 179.25 178.81 2dkl h GLU 39 N 0.00 0.00 -0.48 0.00 4.22 -0.93 -3.25 114.58 114.14 2dkl h GLU 39 Ca 0.23 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.71 2dkl h GLU 39 Cb 1.84 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.06 2dkl h GLU 39 CO -0.00 0.70 0.25 1.05 -2.18 0.00 0.00 179.01 178.84 2dkl h GLU 40 N -1.00 0.49 0.60 1.92 4.11 -0.67 -2.79 114.58 117.24 2dkl h GLU 40 Ca -0.21 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.17 2dkl h GLU 40 Cb 1.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2dkl h GLU 40 CO -0.13 0.32 -0.45 0.00 0.07 0.00 0.00 179.01 178.82 2dkl h ALA 41 N 1.25 -1.08 -0.92 1.06 0.00 -0.80 -2.92 119.26 115.85 2dkl h ALA 41 Ca 0.21 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.06 2dkl h ALA 41 Cb 0.09 0.60 -0.15 0.00 0.00 0.00 0.00 17.79 18.33 2dkl h ALA 41 CO -0.13 -1.13 -0.39 -0.07 0.00 0.00 0.00 179.25 177.52 2dkl h LEU 42 N -1.02 -1.43 -0.91 0.00 3.38 -1.56 0.79 115.31 114.57 2dkl h LEU 42 Ca -0.07 0.30 0.24 0.00 0.09 0.00 0.00 57.88 58.44 2dkl h LEU 42 Cb 0.85 0.74 -0.13 0.00 0.09 0.00 0.00 40.66 42.20 2dkl h LEU 42 CO 0.02 -0.29 0.37 0.11 0.09 0.00 0.00 178.44 178.74 2dkl h LYS 43 N -0.04 0.31 0.00 1.13 1.57 -1.31 0.55 116.57 118.79 2dkl h LYS 43 Ca 0.31 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 2dkl h LYS 43 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2dkl h LYS 43 CO -0.93 0.21 -0.74 0.77 -0.57 0.00 0.00 179.45 178.19 2dkl h SER 44 N 0.32 0.00 -0.53 0.86 0.02 0.40 -3.26 113.55 111.36 2dkl h SER 44 Ca 0.59 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.26 2dkl h SER 44 Cb 1.19 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 2dkl h SER 44 CO -0.59 0.62 0.36 0.59 -1.14 0.00 0.00 176.83 176.66 2dkl n ASN 45 N -3.20 3.48 -4.36 3.07 3.02 0.20 -4.85 115.26 112.63 2dkl n ASN 45 Ca -0.00 -2.87 -0.39 0.00 -0.03 0.00 0.00 54.58 51.29 2dkl n ASN 45 Cb 0.79 -0.69 -0.05 0.00 -0.61 0.00 0.00 39.78 39.22 2dkl n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2dkl n ASN 46 N -0.37 -2.68 -2.85 6.41 2.85 -0.72 0.12 115.26 118.03 2dkl n ASN 46 Ca 0.32 -1.11 -0.19 0.00 -0.11 0.00 0.00 54.58 53.49 2dkl n ASN 46 Cb 1.12 -2.29 0.05 0.00 1.24 0.00 0.00 39.78 39.90 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2dkl n MET 47 N -4.26 -5.50 -4.01 1.20 2.81 0.47 -5.00 117.12 102.83 2dkl n MET 47 Ca 0.09 0.73 -0.34 0.00 -1.81 0.00 0.00 57.70 56.37 2dkl n MET 47 Cb 0.48 -5.33 -0.06 0.00 -0.71 0.00 0.00 33.22 27.60 2dkl n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2dkl s ASN 48 N -3.03 6.01 -0.03 7.83 -0.87 0.32 -5.05 114.94 120.11 2dkl s ASN 48 Ca 0.38 0.27 -0.01 0.00 -1.57 0.00 0.00 52.86 51.93 2dkl s ASN 48 Cb -0.17 -1.82 -0.00 0.00 -0.02 0.00 0.00 41.25 39.24 2dkl s ASN 48 CO 0.47 0.30 -0.03 0.25 -2.57 0.00 0.00 177.10 175.52 2dkl h LEU 49 N 4.19 0.00 -0.84 0.60 5.85 -1.95 -3.04 115.31 120.13 2dkl h LEU 49 Ca -0.50 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.42 2dkl h LEU 49 Cb 1.19 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.07 2dkl h LEU 49 CO 0.64 0.18 0.02 0.44 -0.34 0.00 0.00 178.44 179.37 2dkl h ASP 50 N -0.28 -0.38 -0.58 1.25 5.19 -1.98 0.58 116.42 120.22 2dkl h ASP 50 Ca 0.00 0.22 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2dkl h ASP 50 Cb 0.08 0.39 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 2dkl h ASP 50 CO 0.00 -0.23 0.17 1.56 -3.12 0.00 0.00 179.24 177.62 2dkl h GLN 51 N 0.08 0.95 0.68 3.56 1.08 -1.93 -2.65 115.11 116.88 2dkl h GLN 51 Ca 0.47 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 2dkl h GLN 51 Cb 0.88 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 28.18 2dkl h GLN 51 CO -0.75 0.84 -0.32 0.00 -0.95 0.00 0.00 178.83 177.64 2dkl h ALA 52 N 1.26 -0.97 -0.45 3.87 0.00 0.16 -2.34 119.26 120.79 2dkl h ALA 52 Ca 0.20 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2dkl h ALA 52 Cb 0.30 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2dkl h ALA 52 CO -0.00 -0.90 -0.45 0.52 0.00 0.00 0.00 179.25 178.42 2dkl h MET 53 N -1.17 -0.22 -0.70 0.00 2.86 -0.86 -0.11 114.93 114.72 2dkl h MET 53 Ca -0.09 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.72 2dkl h MET 53 Cb 0.70 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.28 2dkl h MET 53 CO 0.15 -0.15 -0.01 1.03 1.06 0.00 0.00 176.91 178.99 2dkl h SER 54 N -0.23 -0.35 -0.83 1.22 0.87 -1.56 0.67 113.55 113.34 2dkl h SER 54 Ca 0.08 0.18 0.23 0.00 -1.23 0.00 0.00 61.79 61.05 2dkl h SER 54 Cb 0.43 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 2dkl h SER 54 CO -0.54 -0.16 0.59 0.00 -0.53 0.00 0.00 176.83 176.18 2dkl h ALA 55 N 1.66 2.71 0.00 6.23 0.00 -0.46 0.24 119.26 129.64 2dkl h ALA 55 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2dkl h ALA 55 Cb 0.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dkl h ALA 55 CO -0.62 -0.95 -0.49 1.28 0.00 0.00 0.00 179.25 178.46 2dkl n LEU 56 N -4.32 1.55 -0.30 0.00 4.77 0.19 -4.26 117.00 114.65 2dkl n LEU 56 Ca 0.17 0.54 0.34 0.00 -0.03 0.00 0.00 56.01 57.04 2dkl n LEU 56 Cb 0.87 -0.80 0.74 0.00 -2.33 0.00 0.00 43.42 41.89 2dkl n LEU 56 CO 0.38 -0.46 1.32 -0.07 -1.33 0.00 0.00 177.39 177.23 2dkl h LEU 57 N -0.85 0.00 -1.37 2.23 3.38 -0.26 0.25 115.31 118.69 2dkl h LEU 57 Ca 0.00 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.20 2dkl h LEU 57 Cb 0.49 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 2dkl h LEU 57 CO 0.00 0.00 0.63 1.05 0.09 0.00 0.00 178.44 180.21 2dkl h GLU 58 N 0.00 0.44 -1.14 1.13 -0.00 -0.70 -0.30 114.58 114.00 2dkl h GLU 58 Ca 0.55 -0.03 0.33 0.00 -0.00 0.00 0.00 59.36 60.21 2dkl h GLU 58 Cb 2.29 -0.10 -0.05 0.00 -0.00 0.00 0.00 28.75 30.89 2dkl h GLU 58 CO -0.01 0.29 1.25 0.36 -0.00 0.00 0.00 179.01 180.90 2dkl n LYS 59 N -4.60 0.01 -3.93 1.06 2.85 0.89 -4.29 118.16 110.16 2dkl n LYS 59 Ca 0.23 1.03 -0.10 0.00 -1.05 0.00 0.00 58.31 58.41 2dkl n LYS 59 Cb 0.76 -2.53 -0.10 0.00 -0.65 0.00 0.00 35.03 32.50 2dkl n LYS 59 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2dkl s LYS 60 N -4.48 0.39 -0.63 -1.58 2.20 -0.13 -5.10 119.74 110.41 2dkl s LYS 60 Ca -0.03 -0.52 -0.27 0.00 -0.36 0.00 0.00 55.97 54.79 2dkl s LYS 60 Cb 0.15 0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.62 2dkl s LYS 60 CO 0.51 -0.08 1.64 0.54 -0.36 0.00 0.00 175.35 177.60 2dkl s VAL 61 N -1.44 3.52 0.20 4.02 0.11 -1.26 -4.93 120.40 120.63 2dkl s VAL 61 Ca -0.15 0.34 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2dkl s VAL 61 Cb -0.09 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.48 2dkl s VAL 61 CO 0.00 -1.19 0.10 -0.67 -3.33 0.00 0.00 175.10 170.01 2dkl n ASP 62 N 11.28 0.64 -4.30 3.54 2.03 -1.26 -5.13 116.55 123.34 2dkl n ASP 62 Ca 0.15 -2.15 -0.37 0.00 0.52 0.00 0.00 54.79 52.93 2dkl n ASP 62 Cb 0.51 0.65 -0.13 0.00 -0.72 0.00 0.00 41.12 41.43 2dkl n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2dkl s VAL 63 N -2.47 3.84 0.21 5.18 0.11 -1.26 -5.07 120.40 120.94 2dkl s VAL 63 Ca 0.14 -0.92 -0.32 0.00 -2.93 0.00 0.00 61.98 57.95 2dkl s VAL 63 Cb 0.01 -3.08 -0.12 0.00 -1.53 0.00 0.00 36.38 31.66 2dkl s VAL 63 CO 0.10 -0.04 1.67 0.47 -3.33 0.00 0.00 175.10 173.96 2dkl n ASP 64 N 4.83 3.76 -4.71 3.54 9.92 -1.26 -4.90 116.55 127.74 2dkl n ASP 64 Ca -0.14 1.08 -0.42 0.00 -0.53 0.00 0.00 54.79 54.78 2dkl n ASP 64 Cb 0.46 -1.54 -0.03 0.00 -0.64 0.00 0.00 41.12 39.37 2dkl n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dkl s LYS 65 N 0.86 4.20 0.20 -1.24 -0.14 -1.26 -4.87 119.74 117.48 2dkl s LYS 65 Ca 0.74 2.40 -0.07 0.00 -1.36 0.00 0.00 55.97 57.68 2dkl s LYS 65 Cb -0.54 -3.27 0.30 0.00 -1.68 0.00 0.00 37.83 32.64 2dkl s LYS 65 CO 0.36 -0.67 1.14 0.54 -0.76 0.00 0.00 175.35 175.96 2dkl n ARG 66 N 4.45 -0.09 0.00 1.68 3.00 -1.26 -4.83 116.66 119.61 2dkl n ARG 66 Ca 0.15 1.14 0.00 0.00 -0.01 0.00 0.00 57.85 59.12 2dkl n ARG 66 Cb 0.38 -1.69 0.00 0.00 0.00 0.00 0.00 32.46 31.15 2dkl n ARG 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dkl n GLY 67 N -1.44 4.43 3.53 -0.13 0.00 -1.26 -5.14 105.19 105.18 2dkl n GLY 67 Ca 0.11 -1.19 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2dkl n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkl s LEU 68 N 0.00 0.86 0.58 0.99 1.43 -1.26 -5.05 118.68 116.23 2dkl s LEU 68 Ca 0.00 1.36 0.09 0.00 -1.03 0.00 0.00 54.13 54.55 2dkl s LEU 68 Cb 0.00 -3.29 0.08 0.00 0.03 0.00 0.00 46.19 43.01 2dkl s LEU 68 CO 0.00 -4.03 0.74 -0.83 0.23 0.00 0.00 176.35 172.46 2dkl s GLY 69 N -2.80 1.82 -0.16 -3.19 0.00 -1.26 -5.02 107.32 96.72 2dkl s GLY 69 Ca 0.68 -2.02 -0.39 0.00 0.00 0.00 0.00 44.72 42.99 2dkl s GLY 69 CO 0.63 -1.74 1.63 -0.62 0.00 0.00 0.00 173.10 172.99 2dkl n VAL 70 N -2.19 0.22 -1.53 1.40 0.31 -1.26 -4.82 118.33 110.46 2dkl n VAL 70 Ca 0.13 -0.04 -0.45 0.00 -0.01 0.00 0.00 64.34 63.97 2dkl n VAL 70 Cb 0.62 -1.13 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 2dkl n VAL 70 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2dkl n THR 71 N 3.97 1.99 -4.39 2.52 -1.04 -1.26 -1.07 114.28 115.00 2dkl n THR 71 Ca 0.24 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.38 2dkl n THR 71 Cb 0.15 -0.71 -0.07 0.00 -1.82 0.00 0.00 70.33 67.88 2dkl n THR 71 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2dkl n ASP 72 N 1.40 -1.13 0.28 8.00 5.75 -1.26 -4.84 116.55 124.75 2dkl n ASP 72 Ca 0.12 -1.20 -0.15 0.00 -0.01 0.00 0.00 54.79 53.54 2dkl n ASP 72 Cb 0.31 -1.88 -0.08 0.00 -1.03 0.00 0.00 41.12 38.44 2dkl n ASP 72 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2dkl h HIS 73 N -1.31 -0.66 0.15 2.11 2.76 -1.45 -3.32 115.15 113.43 2dkl h HIS 73 Ca -0.62 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.53 2dkl h HIS 73 Cb 1.39 0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2dkl h HIS 73 CO 0.63 -0.34 -0.07 -0.91 -1.30 0.00 0.00 177.93 175.94 2dkl h ASN 74 N -0.95 -0.17 0.00 3.26 2.35 -1.88 -3.49 115.58 114.71 2dkl h ASN 74 Ca -0.07 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2dkl h ASN 74 Cb 0.62 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.03 2dkl h ASN 74 CO 0.12 0.29 0.00 0.61 -1.65 0.00 0.00 177.43 176.80 2dkl n GLY 75 N 0.12 3.43 3.73 2.83 0.00 -1.25 -4.94 105.19 109.11 2dkl n GLY 75 Ca -0.09 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2dkl n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dkl n MET 76 N 0.00 -6.36 -3.25 1.61 1.56 -1.26 -2.01 117.12 107.41 2dkl n MET 76 Ca 0.00 0.70 -0.16 0.00 -0.27 0.00 0.00 57.70 57.97 2dkl n MET 76 Cb 0.00 -5.61 0.07 0.00 2.15 0.00 0.00 33.22 29.83 2dkl n MET 76 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2dkl n ALA 77 N -4.68 -1.33 0.01 -5.12 0.00 -1.26 -4.95 120.51 103.18 2dkl n ALA 77 Ca -0.05 0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.33 2dkl n ALA 77 Cb 0.57 -3.21 -0.14 0.00 0.00 0.00 0.00 19.45 16.67 2dkl n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkl h ALA 78 N 0.76 -0.03 0.00 0.00 0.00 -1.76 -3.31 119.26 114.91 2dkl h ALA 78 Ca -0.46 -0.72 -0.26 0.00 0.00 0.00 0.00 54.91 53.47 2dkl h ALA 78 Cb 1.28 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2dkl h ALA 78 CO 0.42 0.36 -1.93 1.17 0.00 0.00 0.00 179.25 179.27 2dkl n LYS 79 N -4.22 0.38 -0.04 0.00 0.00 -1.26 -4.66 118.16 108.36 2dkl n LYS 79 Ca -0.15 0.12 -0.09 0.00 0.00 0.00 0.00 58.31 58.19 2dkl n LYS 79 Cb 0.75 -1.22 -0.03 0.00 0.00 0.00 0.00 35.03 34.54 2dkl n LYS 79 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2dkl h SER 80 N -0.29 0.04 0.00 3.14 0.87 -1.81 -3.49 113.55 112.01 2dkl h SER 80 Ca -0.39 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2dkl h SER 80 Cb 1.47 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.45 2dkl h SER 80 CO -0.15 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.81 2dkl n GLY 81 N -1.17 -1.34 3.71 5.77 0.00 -1.25 -4.86 105.19 106.06 2dkl n GLY 81 Ca -0.03 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2dkl n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkl s PRO 82 N 0.00 4.33 0.10 1.61 0.04 -1.26 -4.83 135.00 135.00 2dkl s PRO 82 Ca 0.00 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.82 2dkl s PRO 82 Cb 0.00 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.34 2dkl s PRO 82 CO 0.00 -0.42 0.84 -1.54 0.04 0.00 0.00 177.00 175.92 2dkl s SER 83 N 1.15 -0.33 -1.74 6.66 1.04 -1.26 -4.96 113.70 114.25 2dkl s SER 83 Ca 0.64 -0.19 -0.17 0.00 0.48 0.00 0.00 55.95 56.70 2dkl s SER 83 Cb -0.36 0.49 0.16 0.00 0.10 0.00 0.00 66.02 66.42 2dkl s SER 83 CO 0.30 -0.85 0.59 -1.54 0.98 0.00 0.00 173.24 172.72 2dkl n SER 84 N -0.36 -1.95 0.00 7.02 3.41 -1.26 -5.24 113.62 115.24 2dkl n SER 84 Ca -0.09 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 2dkl n SER 84 Cb 0.62 -2.14 0.00 0.00 -0.26 0.00 0.00 64.21 62.42 2dkl n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49