#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 5.03 -0.17 1.61 0.15 -1.26 -4.95 113.70 114.11 2dkl s SER 2 Ca 0.00 0.49 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 2dkl s SER 2 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 2dkl s SER 2 CO 0.00 -2.55 0.45 -0.55 1.20 0.00 0.00 173.24 171.80 2dkl s SER 3 N 9.21 6.55 1.94 5.45 0.15 -1.26 -4.89 113.70 130.85 2dkl s SER 3 Ca 0.75 0.66 0.00 0.00 0.70 0.00 0.00 55.95 58.06 2dkl s SER 3 Cb -0.14 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dkl s SER 3 CO 0.21 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2dkl n GLY 4 N 3.67 2.43 2.92 9.45 0.00 -1.26 -4.60 105.19 117.80 2dkl n GLY 4 Ca -0.07 0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 2dkl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkl s SER 5 N -4.00 0.17 -0.03 1.61 0.01 -1.26 -5.07 113.70 105.13 2dkl s SER 5 Ca 0.00 -0.15 -0.23 0.00 1.31 0.00 0.00 55.95 56.88 2dkl s SER 5 Cb 0.00 0.02 -0.17 0.00 0.21 0.00 0.00 66.02 66.08 2dkl s SER 5 CO 0.00 -0.07 1.01 0.28 0.41 0.00 0.00 173.24 174.87 2dkl h SER 6 N 5.71 -0.20 -4.52 2.44 0.02 -1.99 -3.50 113.55 111.52 2dkl h SER 6 Ca -0.27 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2dkl h SER 6 Cb 1.21 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dkl h SER 6 CO 0.48 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2dkl n GLY 7 N 0.34 3.92 4.33 -3.77 0.00 -1.26 -5.14 105.19 103.61 2dkl n GLY 7 Ca -0.08 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.32 2dkl n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkl n GLY 8 N -1.48 0.59 2.75 -0.02 0.00 -1.26 -4.98 105.19 100.78 2dkl n GLY 8 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.67 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dkl n MET 9 N 7.10 -4.82 -2.67 1.61 1.56 -1.26 -4.95 117.12 113.69 2dkl n MET 9 Ca 0.00 0.52 -0.42 0.00 -0.27 0.00 0.00 57.70 57.53 2dkl n MET 9 Cb 0.00 -4.61 -0.03 0.00 2.15 0.00 0.00 33.22 30.73 2dkl n MET 9 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2dkl s LYS 10 N -5.64 3.17 0.40 2.12 3.01 -1.26 -4.99 119.74 116.55 2dkl s LYS 10 Ca 0.30 -0.49 -0.23 0.00 -1.01 0.00 0.00 55.97 54.53 2dkl s LYS 10 Cb -0.13 -4.22 -0.12 0.00 -1.01 0.00 0.00 37.83 32.35 2dkl s LYS 10 CO 0.45 -2.02 0.67 2.41 0.51 0.00 0.00 175.35 177.37 2dkl n THR 11 N 6.21 1.94 -0.08 2.17 -1.04 -1.26 -4.94 114.28 117.28 2dkl n THR 11 Ca 0.01 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.36 2dkl n THR 11 Cb 0.48 -0.66 -0.05 0.00 -1.82 0.00 0.00 70.33 68.27 2dkl n THR 11 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dkl n SER 12 N 1.15 1.39 0.00 8.00 3.41 -1.26 -5.14 113.62 121.17 2dkl n SER 12 Ca 0.11 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2dkl n SER 12 Cb 0.38 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 2dkl n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkl n GLY 13 N 1.96 -1.76 3.33 5.00 0.00 -1.26 -5.16 105.19 107.30 2dkl n GLY 13 Ca -0.28 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 2dkl n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkl s LYS 14 N -2.00 0.58 0.00 1.61 -2.85 -1.26 -5.05 119.74 110.78 2dkl s LYS 14 Ca 0.00 0.43 0.00 0.00 -1.00 0.00 0.00 55.97 55.40 2dkl s LYS 14 Cb 0.00 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 2dkl s LYS 14 CO 0.00 -0.10 0.00 0.94 0.10 0.00 0.00 175.35 176.29 2dkl n GLN 15 N 2.40 1.04 -4.00 1.78 -0.06 -1.26 -5.13 117.38 112.16 2dkl n GLN 15 Ca -0.15 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.75 2dkl n GLN 15 Cb 0.57 -0.70 -0.04 0.00 -4.06 0.00 0.00 30.24 26.00 2dkl n GLN 15 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2dkl s ASP 16 N -2.38 0.10 -0.12 1.69 1.11 -1.26 -5.07 116.67 110.75 2dkl s ASP 16 Ca 0.00 -1.04 0.10 0.00 0.18 0.00 0.00 52.55 51.78 2dkl s ASP 16 Cb 0.00 0.63 -0.24 0.00 1.07 0.00 0.00 42.92 44.38 2dkl s ASP 16 CO 0.00 -1.22 0.37 -1.84 1.18 0.00 0.00 175.17 173.66 2dkl n GLU 17 N -0.43 0.67 -0.19 8.23 -0.00 -1.26 -4.16 120.64 123.51 2dkl n GLU 17 Ca -0.02 0.20 0.00 0.00 -0.00 0.00 0.00 57.16 57.34 2dkl n GLU 17 Cb 0.62 -1.68 0.10 0.00 -0.00 0.00 0.00 31.44 30.47 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dkl h ALA 18 N 0.75 0.64 -0.51 -1.84 0.00 -2.01 0.33 119.26 116.62 2dkl h ALA 18 Ca -0.41 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2dkl h ALA 18 Cb 2.07 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 20.06 2dkl h ALA 18 CO 0.05 -0.34 0.20 0.11 0.00 0.00 0.00 179.25 179.27 2dkl h TRP 19 N 0.20 0.73 -0.77 0.00 5.08 -2.01 -2.52 115.95 116.66 2dkl h TRP 19 Ca 0.30 -0.03 -0.03 0.00 1.08 0.00 0.00 58.89 60.21 2dkl h TRP 19 Cb 0.46 -0.23 -0.04 0.00 -3.00 0.00 0.00 29.16 26.36 2dkl h TRP 19 CO -0.28 0.57 0.37 0.82 -1.28 0.00 0.00 178.44 178.64 2dkl h ILE 20 N 0.72 1.25 -1.03 0.12 2.04 -1.13 -2.69 117.51 116.79 2dkl h ILE 20 Ca 0.17 -0.69 0.37 0.00 1.00 0.00 0.00 64.86 65.72 2dkl h ILE 20 Cb 0.14 0.28 -0.16 0.00 -0.74 0.00 0.00 36.82 36.34 2dkl h ILE 20 CO -0.02 0.29 0.58 -0.03 0.00 0.00 0.00 178.15 178.98 2dkl h MET 21 N 1.09 0.16 0.05 2.37 4.05 -0.87 0.32 114.93 122.10 2dkl h MET 21 Ca 0.26 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 2dkl h MET 21 Cb 0.12 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2dkl h MET 21 CO -0.03 0.11 -0.10 0.66 0.23 0.00 0.00 176.91 177.78 2dkl h SER 22 N 0.17 -0.27 -0.88 1.39 4.64 -1.59 -2.71 113.55 114.31 2dkl h SER 22 Ca 0.79 0.03 0.15 0.00 -0.47 0.00 0.00 61.79 62.30 2dkl h SER 22 Cb 2.00 0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 64.04 2dkl h SER 22 CO -0.66 -0.15 -0.29 0.54 -0.87 0.00 0.00 176.83 175.41 2dkl n ARG 23 N -5.22 -0.15 -0.29 4.77 1.74 0.11 0.15 116.66 117.77 2dkl n ARG 23 Ca -0.06 1.36 -0.06 0.00 -0.77 0.00 0.00 57.85 58.32 2dkl n ARG 23 Cb 0.14 -2.02 0.06 0.00 -1.02 0.00 0.00 32.46 29.63 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 1.08 0.03 0.55 3.38 -1.52 -2.99 115.31 115.83 2dkl h LEU 24 Ca 0.35 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2dkl h LEU 24 Cb 0.57 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2dkl h LEU 24 CO -0.88 0.95 -0.03 0.40 0.09 0.00 0.00 178.44 178.97 2dkl h ILE 25 N 1.14 0.94 -0.72 1.22 1.08 0.17 -3.08 117.51 118.25 2dkl h ILE 25 Ca 0.27 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.82 2dkl h ILE 25 Cb 0.19 0.94 -0.11 0.00 -3.07 0.00 0.00 36.82 34.77 2dkl h ILE 25 CO -0.02 0.00 -0.54 0.50 -0.69 0.00 0.00 178.15 177.40 2dkl h LYS 26 N -0.06 -0.17 -1.17 2.37 3.64 -0.62 0.56 116.57 121.11 2dkl h LYS 26 Ca 0.00 0.01 0.42 0.00 -1.27 0.00 0.00 60.65 59.82 2dkl h LYS 26 Cb 0.06 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 31.76 2dkl h LYS 26 CO -0.00 -0.11 0.71 1.96 -2.27 0.00 0.00 179.45 179.73 2dkl h GLN 27 N -0.18 0.07 0.00 1.90 1.08 -1.52 0.99 115.11 117.45 2dkl h GLN 27 Ca 0.15 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2dkl h GLN 27 Cb 0.51 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2dkl h GLN 27 CO -0.78 0.04 -0.00 -0.07 -0.95 0.00 0.00 178.83 177.07 2dkl h LEU 28 N 0.07 -0.00 -1.24 1.46 4.07 -0.07 -3.22 115.31 116.37 2dkl h LEU 28 Ca 0.83 -0.70 0.39 0.00 0.08 0.00 0.00 57.88 58.48 2dkl h LEU 28 Cb 2.39 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 44.00 2dkl h LEU 28 CO -0.59 0.85 0.72 0.71 -1.08 0.00 0.00 178.44 179.05 2dkl h THR 29 N -1.00 0.19 -0.13 0.22 1.35 0.17 1.32 112.91 115.03 2dkl h THR 29 Ca -0.00 -0.06 -0.15 0.00 -0.55 0.00 0.00 66.41 65.65 2dkl h THR 29 Cb 0.70 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 2dkl h THR 29 CO 0.00 0.03 -0.57 -0.78 -0.25 0.00 0.00 175.52 173.95 2dkl h ASP 30 N 0.16 0.47 0.42 5.36 1.82 -1.28 -3.33 116.42 120.04 2dkl h ASP 30 Ca 0.78 -0.26 -0.02 0.00 -0.39 0.00 0.00 57.03 57.14 2dkl h ASP 30 Cb 2.20 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 42.07 2dkl h ASP 30 CO -0.50 0.94 -0.20 0.24 -1.61 0.00 0.00 179.24 178.11 2dkl h MET 31 N 0.32 -0.54 0.00 0.28 2.86 0.17 -3.47 114.93 114.55 2dkl h MET 31 Ca 0.00 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2dkl h MET 31 Cb 1.10 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2dkl h MET 31 CO 0.10 -0.36 0.00 0.41 1.06 0.00 0.00 176.91 178.12 2dkl n GLY 32 N -0.94 0.00 2.97 8.32 0.00 -0.87 -4.67 105.19 110.00 2dkl n GLY 32 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.02 0.75 1.61 0.08 -1.24 -5.06 117.98 114.15 2dkl s PHE 33 Ca 0.00 -0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 2dkl s PHE 33 Cb 0.00 -0.03 0.05 0.00 -0.57 0.00 0.00 43.02 42.46 2dkl s PHE 33 CO 0.00 -0.11 1.09 -1.25 -0.10 0.00 0.00 175.22 174.86 2dkl s PRO 34 N -0.51 2.36 0.35 0.24 0.04 -1.26 -3.72 135.00 132.50 2dkl s PRO 34 Ca -0.06 1.21 0.15 0.00 0.04 0.00 0.00 61.00 62.34 2dkl s PRO 34 Cb -0.04 -1.91 0.63 0.00 0.04 0.00 0.00 34.50 33.23 2dkl s PRO 34 CO 0.00 -1.57 1.74 0.07 0.04 0.00 0.00 177.00 177.28 2dkl h ARG 35 N -0.91 0.00 -0.39 4.56 0.11 -1.97 -3.06 114.38 112.72 2dkl h ARG 35 Ca -0.44 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.68 2dkl h ARG 35 Cb 1.23 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.26 2dkl h ARG 35 CO 0.52 0.44 -0.32 0.93 0.10 0.00 0.00 179.97 181.64 2dkl h GLU 36 N 0.00 -0.10 0.05 0.08 4.39 -2.00 0.54 114.58 117.53 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dkl h GLU 36 Cb 0.85 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 2dkl h GLU 36 CO 0.06 -0.07 -0.02 -1.00 -1.16 0.00 0.00 179.01 176.81 2dkl h PRO 37 N -0.11 -0.06 -0.09 2.33 0.13 -1.97 -2.89 132.00 129.33 2dkl h PRO 37 Ca 0.06 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.23 2dkl h PRO 37 Cb 0.28 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 2dkl h PRO 37 CO -0.43 0.40 0.64 0.00 -0.23 0.00 0.00 178.00 178.38 2dkl h ALA 38 N 0.36 1.74 0.00 -0.56 0.00 -1.40 0.30 119.26 119.70 2dkl h ALA 38 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2dkl h ALA 38 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2dkl h ALA 38 CO 0.01 -0.69 -0.59 1.49 0.00 0.00 0.00 179.25 179.47 2dkl h GLU 39 N 0.00 0.00 -0.25 0.00 4.57 -0.77 -3.29 114.58 114.83 2dkl h GLU 39 Ca 0.04 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 2dkl h GLU 39 Cb 1.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2dkl h GLU 39 CO -0.00 0.34 0.16 1.05 -1.18 0.00 0.00 179.01 179.38 2dkl h GLU 40 N -1.00 0.32 0.04 1.92 4.11 -0.95 -2.75 114.58 116.27 2dkl h GLU 40 Ca -0.09 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.32 2dkl h GLU 40 Cb 0.68 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2dkl h GLU 40 CO -0.06 0.21 -0.30 0.00 0.07 0.00 0.00 179.01 178.94 2dkl h ALA 41 N 1.10 -0.78 -0.29 1.06 0.00 -0.68 -2.29 119.26 117.38 2dkl h ALA 41 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dkl h ALA 41 Cb -0.02 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2dkl h ALA 41 CO -0.03 -0.86 -0.25 -0.07 0.00 0.00 0.00 179.25 178.04 2dkl h LEU 42 N -0.40 -0.87 -1.23 0.00 3.38 -1.61 0.98 115.31 115.56 2dkl h LEU 42 Ca 0.00 0.12 0.28 0.00 0.09 0.00 0.00 57.88 58.38 2dkl h LEU 42 Cb 0.41 0.37 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2dkl h LEU 42 CO -0.18 -0.14 1.11 0.11 0.09 0.00 0.00 178.44 179.44 2dkl h LYS 43 N -0.09 0.00 0.00 1.13 1.79 -1.38 1.91 116.57 119.93 2dkl h LYS 43 Ca 0.05 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.19 2dkl h LYS 43 Cb 0.22 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.81 2dkl h LYS 43 CO -0.32 0.00 -2.04 0.45 -1.08 0.00 0.00 179.45 176.45 2dkl n SER 44 N -3.34 0.43 -1.57 0.86 2.88 0.27 -4.14 113.62 109.01 2dkl n SER 44 Ca 0.22 0.21 -0.07 0.00 -1.33 0.00 0.00 58.87 57.90 2dkl n SER 44 Cb 1.42 0.49 0.17 0.00 -0.75 0.00 0.00 64.21 65.53 2dkl n SER 44 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dkl n ASN 45 N -2.89 3.64 -3.70 -3.46 3.02 0.63 -4.86 115.26 107.64 2dkl n ASN 45 Ca -0.25 -2.80 -0.26 0.00 -0.03 0.00 0.00 54.58 51.25 2dkl n ASN 45 Cb 1.10 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 39.66 2dkl n ASN 45 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dkl n ASN 46 N -0.12 -5.44 -3.51 6.41 4.13 -0.47 -1.94 115.26 114.31 2dkl n ASN 46 Ca 0.28 -0.63 -0.21 0.00 1.68 0.00 0.00 54.58 55.70 2dkl n ASN 46 Cb 1.05 -4.62 0.08 0.00 -1.54 0.00 0.00 39.78 34.75 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2dkl n MET 47 N -4.83 -7.36 -4.13 3.52 2.81 -0.24 -5.00 117.12 101.88 2dkl n MET 47 Ca -0.01 0.83 -0.31 0.00 -1.81 0.00 0.00 57.70 56.41 2dkl n MET 47 Cb 0.56 -5.86 -0.08 0.00 -0.71 0.00 0.00 33.22 27.13 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 -3.77 5.27 -0.16 7.83 -0.87 -0.82 -5.04 114.94 117.38 2dkl s ASN 48 Ca 0.33 -0.06 -0.12 0.00 -1.57 0.00 0.00 52.86 51.43 2dkl s ASN 48 Cb -0.14 -1.35 -0.05 0.00 -0.02 0.00 0.00 41.25 39.69 2dkl s ASN 48 CO 0.73 0.20 -0.21 -0.11 -2.57 0.00 0.00 177.10 175.14 2dkl n LEU 49 N 0.72 1.85 -0.24 0.60 7.94 -1.26 -3.31 117.00 123.29 2dkl n LEU 49 Ca -0.11 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2dkl n LEU 49 Cb 0.52 -0.84 0.12 0.00 0.53 0.00 0.00 43.42 43.75 2dkl n LEU 49 CO 0.40 -0.38 1.07 -2.24 -1.11 0.00 0.00 177.39 175.14 2dkl h ASP 50 N -1.00 0.49 -0.15 1.96 3.04 -1.99 0.26 116.42 119.03 2dkl h ASP 50 Ca -0.02 0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.80 2dkl h ASP 50 Cb 0.68 -0.04 -0.01 0.00 -1.04 0.00 0.00 39.33 38.93 2dkl h ASP 50 CO -0.02 0.30 0.03 1.56 -2.04 0.00 0.00 179.24 179.07 2dkl h GLN 51 N 0.63 0.23 0.88 4.15 1.08 -1.93 -3.07 115.11 117.08 2dkl h GLN 51 Ca 0.33 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.43 2dkl h GLN 51 Cb 0.29 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2dkl h GLN 51 CO -0.23 0.39 -0.42 0.00 -0.95 0.00 0.00 178.83 177.62 2dkl h ALA 52 N 0.83 -1.18 -0.75 3.87 0.00 -1.43 -2.89 119.26 117.71 2dkl h ALA 52 Ca 0.05 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2dkl h ALA 52 Cb 0.27 0.46 -0.10 0.00 0.00 0.00 0.00 17.79 18.42 2dkl h ALA 52 CO 0.00 -1.11 -0.42 -1.33 0.00 0.00 0.00 179.25 176.38 2dkl n MET 53 N -5.57 -0.31 -0.08 0.00 2.81 0.86 0.46 117.12 115.30 2dkl n MET 53 Ca -0.15 1.14 -0.07 0.00 -1.81 0.00 0.00 57.70 56.81 2dkl n MET 53 Cb 0.47 -1.68 -0.01 0.00 -0.71 0.00 0.00 33.22 31.29 2dkl n MET 53 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2dkl h SER 54 N 0.00 -0.77 0.00 7.83 0.87 -1.53 0.41 113.55 120.36 2dkl h SER 54 Ca 0.14 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2dkl h SER 54 Cb 0.33 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2dkl h SER 54 CO -0.71 -0.27 0.36 0.00 -0.53 0.00 0.00 176.83 175.68 2dkl h ALA 55 N 0.90 1.29 0.03 6.23 0.00 0.23 0.23 119.26 128.16 2dkl h ALA 55 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.75 2dkl h ALA 55 Cb 0.46 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2dkl h ALA 55 CO -0.43 -0.29 -1.73 1.28 0.00 0.00 0.00 179.25 178.08 2dkl n LEU 56 N -2.34 2.12 -0.16 0.00 4.77 0.13 -4.36 117.00 117.16 2dkl n LEU 56 Ca -0.01 0.33 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 2dkl n LEU 56 Cb 0.38 -0.97 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 2dkl n LEU 56 CO 0.08 0.50 0.82 -0.07 -1.33 0.00 0.00 177.39 177.39 2dkl h LEU 57 N -0.71 0.92 -0.89 2.23 4.07 0.03 -3.09 115.31 117.87 2dkl h LEU 57 Ca -0.45 -0.26 0.25 0.00 0.08 0.00 0.00 57.88 57.50 2dkl h LEU 57 Cb 1.56 -0.25 -0.17 0.00 1.08 0.00 0.00 40.66 42.88 2dkl h LEU 57 CO -0.18 1.00 0.02 -0.62 -1.08 0.00 0.00 178.44 177.58 2dkl n GLU 58 N -4.18 -0.07 -0.41 1.13 1.02 0.61 -0.36 120.64 118.37 2dkl n GLU 58 Ca 0.02 1.34 -0.10 0.00 -0.02 0.00 0.00 57.16 58.41 2dkl n GLU 58 Cb 0.35 -2.13 -0.08 0.00 -0.02 0.00 0.00 31.44 29.56 2dkl n GLU 58 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2dkl h LYS 59 N 0.00 -0.00 -3.96 3.49 1.57 -1.76 -3.42 116.57 112.49 2dkl h LYS 59 Ca 0.54 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.15 2dkl h LYS 59 Cb 1.12 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 2dkl h LYS 59 CO -0.84 -0.00 -0.70 0.15 -0.57 0.00 0.00 179.45 177.49 2dkl s LYS 60 N -5.56 0.29 -0.58 3.15 -0.14 0.51 -5.11 119.74 112.30 2dkl s LYS 60 Ca -0.12 -0.57 -0.20 0.00 -1.36 0.00 0.00 55.97 53.72 2dkl s LYS 60 Cb 0.12 0.10 0.08 0.00 -1.68 0.00 0.00 37.83 36.46 2dkl s LYS 60 CO 0.63 -0.05 0.74 0.08 -0.76 0.00 0.00 175.35 175.99 2dkl s VAL 61 N -1.37 4.73 0.27 3.17 1.01 -1.26 -4.75 120.40 122.19 2dkl s VAL 61 Ca -0.15 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2dkl s VAL 61 Cb -0.09 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 31.76 2dkl s VAL 61 CO -0.01 -1.10 0.08 1.51 0.00 0.00 0.00 175.10 175.58 2dkl s ASP 62 N 3.36 1.41 -0.39 3.32 -4.77 -1.26 -5.13 116.67 113.21 2dkl s ASP 62 Ca 0.15 -1.37 -0.11 0.00 -3.30 0.00 0.00 52.55 47.92 2dkl s ASP 62 Cb -0.21 0.11 0.04 0.00 -1.09 0.00 0.00 42.92 41.77 2dkl s ASP 62 CO 0.09 -0.70 0.23 0.54 0.70 0.00 0.00 175.17 176.03 2dkl s VAL 63 N -3.66 4.52 -0.12 2.11 0.11 -1.26 -5.07 120.40 117.02 2dkl s VAL 63 Ca 0.37 -0.99 -0.02 0.00 -2.93 0.00 0.00 61.98 58.40 2dkl s VAL 63 Cb 0.08 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.31 2dkl s VAL 63 CO 0.13 -0.31 -0.04 1.51 -3.33 0.00 0.00 175.10 173.06 2dkl s ASP 64 N 1.71 4.82 0.44 3.54 -4.77 -1.26 -5.08 116.67 116.07 2dkl s ASP 64 Ca 0.02 -0.06 -0.21 0.00 -3.30 0.00 0.00 52.55 49.00 2dkl s ASP 64 Cb -0.20 -1.57 -0.13 0.00 -1.09 0.00 0.00 42.92 39.93 2dkl s ASP 64 CO 0.06 0.25 0.40 2.29 0.70 0.00 0.00 175.17 178.87 2dkl n LYS 65 N 2.97 0.39 -3.96 2.11 -0.00 -1.26 -5.00 118.16 113.41 2dkl n LYS 65 Ca -0.18 0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.18 2dkl n LYS 65 Cb 0.53 -1.38 -0.11 0.00 -0.00 0.00 0.00 35.03 34.07 2dkl n LYS 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2dkl s ARG 66 N -1.46 0.36 0.00 -1.58 3.52 -1.26 -4.91 118.95 113.62 2dkl s ARG 66 Ca 0.63 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 2dkl s ARG 66 Cb -0.59 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 32.94 2dkl s ARG 66 CO 0.59 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.42 2dkl n GLY 67 N 1.49 0.35 0.40 8.12 0.00 -1.26 -5.08 105.19 109.21 2dkl n GLY 67 Ca -0.23 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 2dkl n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dkl h LEU 68 N 0.00 -0.84 -9.20 0.99 3.38 -1.99 -3.44 115.31 104.21 2dkl h LEU 68 Ca 0.00 0.03 -0.67 0.00 0.09 0.00 0.00 57.88 57.33 2dkl h LEU 68 Cb 0.00 0.22 0.09 0.00 0.09 0.00 0.00 40.66 41.06 2dkl h LEU 68 CO 0.00 -0.56 -0.02 0.61 0.09 0.00 0.00 178.44 178.57 2dkl n GLY 69 N -1.17 -0.57 3.67 0.83 0.00 -1.26 -4.89 105.19 101.79 2dkl n GLY 69 Ca -0.12 0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 2dkl n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dkl s VAL 70 N -0.52 4.91 -0.09 1.61 -7.23 -1.26 -5.02 120.40 112.80 2dkl s VAL 70 Ca 0.71 1.53 -0.30 0.00 -1.81 0.00 0.00 61.98 62.12 2dkl s VAL 70 Cb -0.92 -4.09 -0.02 0.00 0.56 0.00 0.00 36.38 31.90 2dkl s VAL 70 CO 0.55 0.04 1.14 -0.89 -0.31 0.00 0.00 175.10 175.63 2dkl s THR 71 N 2.15 4.43 0.19 5.32 2.01 -1.26 -5.02 115.64 123.46 2dkl s THR 71 Ca 0.36 1.73 -0.06 0.00 0.31 0.00 0.00 61.69 64.03 2dkl s THR 71 Cb -0.16 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2dkl s THR 71 CO 0.11 -0.02 0.25 -1.81 -0.69 0.00 0.00 174.62 172.46 2dkl s ASP 72 N 1.40 0.09 0.19 3.53 1.01 -1.26 -5.18 116.67 116.45 2dkl s ASP 72 Ca 0.53 -1.10 0.09 0.00 0.71 0.00 0.00 52.55 52.78 2dkl s ASP 72 Cb -0.22 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.10 2dkl s ASP 72 CO 0.19 -0.91 -0.08 -1.00 0.21 0.00 0.00 175.17 173.58 2dkl s HIS 73 N -4.05 2.65 0.13 4.23 3.76 -1.26 -5.04 115.29 115.70 2dkl s HIS 73 Ca 0.26 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2dkl s HIS 73 Cb 0.04 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.45 2dkl s HIS 73 CO 0.06 0.53 0.00 0.09 -0.85 0.00 0.00 174.74 174.57 2dkl n ASN 74 N -0.07 0.19 -0.26 1.40 3.02 -1.26 -5.14 115.26 113.14 2dkl n ASN 74 Ca -0.10 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 2dkl n ASN 74 Cb 0.56 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.80 2dkl n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkl n GLY 75 N 2.22 -0.54 3.57 7.41 0.00 -1.26 -5.15 105.19 111.44 2dkl n GLY 75 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2dkl n GLY 75 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2dkl s MET 76 N -0.07 0.73 0.14 1.61 0.23 -1.26 -5.09 119.30 115.59 2dkl s MET 76 Ca 0.00 0.28 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 2dkl s MET 76 Cb 0.00 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 2dkl s MET 76 CO 0.00 -0.21 0.00 0.00 -2.03 0.00 0.00 175.02 172.78 2dkl n ALA 77 N 1.06 3.00 -4.16 3.16 0.00 -1.26 -5.02 120.51 117.30 2dkl n ALA 77 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 2dkl n ALA 77 Cb 0.57 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 2dkl n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkl n ALA 78 N -3.19 -1.18 -2.21 0.00 0.00 -1.26 -4.75 120.51 107.92 2dkl n ALA 78 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 2dkl n ALA 78 Cb 0.07 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.01 2dkl n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2dkl s LYS 79 N -6.83 2.89 0.00 0.00 -2.85 -1.26 -4.91 119.74 106.78 2dkl s LYS 79 Ca 0.69 -1.41 0.06 0.00 -1.00 0.00 0.00 55.97 54.32 2dkl s LYS 79 Cb -0.40 -5.33 -0.03 0.00 -2.06 0.00 0.00 37.83 30.02 2dkl s LYS 79 CO 0.85 -3.53 -0.19 0.45 0.10 0.00 0.00 175.35 173.02 2dkl s SER 80 N 5.86 3.64 0.00 0.03 0.15 -1.26 -5.04 113.70 117.09 2dkl s SER 80 Ca 0.64 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.91 2dkl s SER 80 Cb 0.01 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 2dkl s SER 80 CO 0.12 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2dkl n GLY 81 N 1.98 -1.77 3.66 9.45 0.00 -1.26 -5.13 105.19 112.11 2dkl n GLY 81 Ca -0.16 0.78 -0.43 0.00 0.00 0.00 0.00 46.02 46.21 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 4.17 -0.51 1.61 0.04 -1.26 -4.98 135.00 134.07 2dkl s PRO 82 Ca 0.00 1.99 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 2dkl s PRO 82 Cb 0.00 -3.92 0.13 0.00 0.04 0.00 0.00 34.50 30.75 2dkl s PRO 82 CO 0.00 -0.84 0.34 -1.54 0.04 0.00 0.00 177.00 175.01 2dkl s SER 83 N 2.99 5.46 0.23 6.66 1.04 -1.26 -5.08 113.70 123.74 2dkl s SER 83 Ca 0.67 -2.27 0.08 0.00 0.48 0.00 0.00 55.95 54.92 2dkl s SER 83 Cb -0.29 -1.91 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 2dkl s SER 83 CO 0.25 -0.54 0.04 -0.44 0.98 0.00 0.00 173.24 173.53 2dkl s SER 84 N 1.76 4.85 0.00 7.02 0.01 -1.26 -5.37 113.70 120.71 2dkl s SER 84 Ca 0.11 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2dkl s SER 84 Cb -0.22 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 64.97 2dkl s SER 84 CO -0.03 0.03 0.34 0.61 0.41 0.00 0.00 173.24 174.59