#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl h SER 2 N 0.00 -0.42 0.00 1.61 4.64 -2.14 -3.35 113.55 113.90 2dkl h SER 2 Ca 0.00 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2dkl h SER 2 Cb 0.00 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2dkl h SER 2 CO 0.00 -0.26 -0.36 -1.20 -0.87 0.00 0.00 176.83 174.14 2dkl n SER 3 N -5.42 0.71 -0.28 4.97 7.64 -1.26 -5.15 113.62 114.84 2dkl n SER 3 Ca 0.18 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2dkl n SER 3 Cb 0.60 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 2dkl n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkl n GLY 4 N 3.31 -0.24 3.32 0.23 0.00 -1.26 -5.06 105.19 105.49 2dkl n GLY 4 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 2dkl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkl n SER 5 N 0.00 -2.30 0.03 1.61 7.64 -1.26 -5.01 113.62 114.33 2dkl n SER 5 Ca 0.00 -0.19 -0.01 0.00 1.01 0.00 0.00 58.87 59.68 2dkl n SER 5 Cb 0.00 -1.04 -0.00 0.00 -1.01 0.00 0.00 64.21 62.16 2dkl n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkl n SER 6 N -2.85 0.87 0.00 6.43 2.88 -1.26 -5.13 113.62 114.56 2dkl n SER 6 Ca 0.01 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2dkl n SER 6 Cb 0.59 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 2dkl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkl n GLY 7 N 3.27 0.37 0.00 0.46 0.00 -1.26 -4.99 105.19 103.04 2dkl n GLY 7 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.87 3.60 -0.02 0.00 -1.26 -5.10 105.19 103.27 2dkl n GLY 8 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dkl s MET 9 N 0.27 3.99 0.42 1.61 1.75 -1.26 -4.99 119.30 121.08 2dkl s MET 9 Ca 0.00 -0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.37 2dkl s MET 9 Cb 0.00 -3.66 -0.03 0.00 2.84 0.00 0.00 34.83 33.98 2dkl s MET 9 CO 0.00 -0.26 0.66 -1.59 -0.65 0.00 0.00 175.02 173.18 2dkl s LYS 10 N 2.00 3.45 0.06 4.11 0.00 -1.26 -5.11 119.74 122.99 2dkl s LYS 10 Ca 0.13 -0.14 0.08 0.00 0.00 0.00 0.00 55.97 56.04 2dkl s LYS 10 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 37.83 35.11 2dkl s LYS 10 CO 0.10 -0.05 -0.22 0.95 0.00 0.00 0.00 175.35 176.12 2dkl s THR 11 N -2.52 1.82 1.00 3.79 -4.23 -1.26 -5.10 115.64 109.14 2dkl s THR 11 Ca 0.44 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.48 2dkl s THR 11 Cb -0.10 -1.59 0.12 0.00 1.34 0.00 0.00 72.50 72.27 2dkl s THR 11 CO 0.40 0.18 0.67 -1.20 -0.54 0.00 0.00 174.62 174.13 2dkl n SER 12 N 1.62 -1.30 0.00 3.99 7.64 -1.26 -4.46 113.62 119.85 2dkl n SER 12 Ca -0.18 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2dkl n SER 12 Cb 0.53 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2dkl n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkl n GLY 13 N 1.11 1.11 3.41 0.23 0.00 -1.26 -4.99 105.19 104.81 2dkl n GLY 13 Ca 0.07 -0.84 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 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 0.58 0.26 -2.75 1.61 0.00 -1.26 -4.83 118.16 111.76 2dkl n LYS 14 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 58.31 57.98 2dkl n LYS 14 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 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 -1.15 3.16 0.71 1.64 -0.21 -1.26 -4.92 119.66 117.63 2dkl s GLN 15 Ca 0.62 -0.66 -0.03 0.00 0.02 0.00 0.00 55.36 55.31 2dkl s GLN 15 Cb -0.80 -4.25 0.10 0.00 1.00 0.00 0.00 33.01 29.06 2dkl s GLN 15 CO 0.58 -1.94 0.99 -0.51 -2.12 0.00 0.00 175.29 172.29 2dkl s ASP 16 N 3.72 4.52 -0.10 5.90 1.01 -1.26 -5.03 116.67 125.42 2dkl s ASP 16 Ca 0.27 -0.02 0.06 0.00 0.71 0.00 0.00 52.55 53.57 2dkl s ASP 16 Cb -0.13 -0.50 -0.24 0.00 1.01 0.00 0.00 42.92 43.06 2dkl s ASP 16 CO 0.11 -1.74 0.42 1.21 0.21 0.00 0.00 175.17 175.38 2dkl n GLU 17 N -2.86 0.68 0.03 8.23 4.07 -1.26 -4.09 120.64 125.45 2dkl n GLU 17 Ca 0.12 0.24 -0.10 0.00 -0.06 0.00 0.00 57.16 57.35 2dkl n GLU 17 Cb 0.60 -1.71 -0.04 0.00 -0.06 0.00 0.00 31.44 30.23 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dkl h ALA 18 N 0.62 -0.20 -0.65 4.31 0.00 -1.97 -1.10 119.26 120.27 2dkl h ALA 18 Ca -0.39 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.65 2dkl h ALA 18 Cb 2.04 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 20.15 2dkl h ALA 18 CO 0.06 -0.67 0.44 0.11 0.00 0.00 0.00 179.25 179.19 2dkl h TRP 19 N -0.28 0.48 -0.17 0.00 5.08 -1.95 -1.89 115.95 117.22 2dkl h TRP 19 Ca 0.08 0.01 -0.02 0.00 1.08 0.00 0.00 58.89 60.04 2dkl h TRP 19 Cb 0.39 -0.16 -0.01 0.00 -3.00 0.00 0.00 29.16 26.39 2dkl h TRP 19 CO -0.27 0.22 0.03 0.82 -1.28 0.00 0.00 178.44 177.96 2dkl h ILE 20 N 0.44 1.22 -0.78 0.12 2.04 -1.38 -3.03 117.51 116.14 2dkl h ILE 20 Ca 0.31 -0.71 0.28 0.00 1.00 0.00 0.00 64.86 65.74 2dkl h ILE 20 Cb 0.60 1.36 -0.14 0.00 -0.74 0.00 0.00 36.82 37.89 2dkl h ILE 20 CO -0.09 0.21 0.26 0.80 0.00 0.00 0.00 178.15 179.33 2dkl n MET 21 N -4.78 -0.05 -0.02 2.37 1.56 -0.71 0.16 117.12 115.65 2dkl n MET 21 Ca -0.05 1.11 -0.09 0.00 -0.27 0.00 0.00 57.70 58.40 2dkl n MET 21 Cb 0.18 -1.90 -0.04 0.00 2.15 0.00 0.00 33.22 33.61 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 -0.08 -0.86 6.12 0.87 -1.62 -2.79 113.55 115.19 2dkl h SER 22 Ca 0.59 0.04 0.13 0.00 -1.23 0.00 0.00 61.79 61.31 2dkl h SER 22 Cb 1.44 0.07 -0.14 0.00 -0.44 0.00 0.00 62.40 63.33 2dkl h SER 22 CO -0.65 -0.02 -0.34 0.54 -0.53 0.00 0.00 176.83 175.83 2dkl n ARG 23 N -5.14 -0.21 -0.31 2.24 1.74 0.42 0.16 116.66 115.57 2dkl n ARG 23 Ca -0.04 1.32 -0.03 0.00 -0.77 0.00 0.00 57.85 58.33 2dkl n ARG 23 Cb 0.09 -1.96 0.11 0.00 -1.02 0.00 0.00 32.46 29.68 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 -0.31 0.55 3.38 -1.53 -2.80 115.31 115.69 2dkl h LEU 24 Ca 0.29 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2dkl h LEU 24 Cb 0.51 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2dkl h LEU 24 CO -0.85 0.87 0.10 0.40 0.09 0.00 0.00 178.44 179.05 2dkl h ILE 25 N 1.21 0.90 -0.48 1.22 1.08 0.18 -3.05 117.51 118.58 2dkl h ILE 25 Ca 0.31 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.74 2dkl h ILE 25 Cb 0.03 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 2dkl h ILE 25 CO -0.05 0.04 -0.35 0.50 -0.69 0.00 0.00 178.15 177.60 2dkl h LYS 26 N 0.23 -0.09 -0.91 2.37 3.64 -0.76 0.29 116.57 121.34 2dkl h LYS 26 Ca 0.14 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.77 2dkl h LYS 26 Cb 0.12 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 31.78 2dkl h LYS 26 CO -0.15 -0.06 -0.01 1.04 -2.27 0.00 0.00 179.45 178.01 2dkl n GLN 27 N -4.36 -0.07 0.16 1.90 1.13 -1.16 -0.40 117.38 114.59 2dkl n GLN 27 Ca -0.00 1.37 -0.12 0.00 -1.94 0.00 0.00 57.00 56.31 2dkl n GLN 27 Cb 0.18 -2.17 -0.07 0.00 0.11 0.00 0.00 30.24 28.29 2dkl n GLN 27 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dkl h LEU 28 N 0.00 -0.39 -1.34 1.08 4.07 -0.73 -2.92 115.31 115.08 2dkl h LEU 28 Ca 0.54 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.34 2dkl h LEU 28 Cb 1.09 0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.93 2dkl h LEU 28 CO -0.87 0.04 0.41 0.71 -1.08 0.00 0.00 178.44 177.65 2dkl h THR 29 N -0.92 0.00 0.00 0.22 1.35 0.20 0.82 112.91 114.58 2dkl h THR 29 Ca -0.05 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.58 2dkl h THR 29 Cb 0.53 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 67.35 2dkl h THR 29 CO 0.08 0.00 -1.33 0.44 -0.25 0.00 0.00 175.52 174.46 2dkl h ASP 30 N 0.00 0.00 0.24 5.36 5.19 -0.56 -3.38 116.42 123.27 2dkl h ASP 30 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2dkl h ASP 30 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 2dkl h ASP 30 CO 0.00 0.91 -0.11 0.24 -3.12 0.00 0.00 179.24 177.16 2dkl h MET 31 N 0.00 -0.31 0.00 3.56 2.86 0.84 -3.48 114.93 118.41 2dkl h MET 31 Ca -0.15 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2dkl h MET 31 Cb 1.83 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.56 2dkl h MET 31 CO 0.09 0.03 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2dkl n GLY 32 N 0.53 0.00 3.03 8.32 0.00 -1.01 -5.13 105.19 110.93 2dkl n GLY 32 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 0.74 0.70 1.61 0.08 -1.23 -5.06 117.98 114.82 2dkl s PHE 33 Ca 0.00 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.66 2dkl s PHE 33 Cb 0.00 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.01 2dkl s PHE 33 CO 0.00 -0.02 1.10 -1.25 -0.10 0.00 0.00 175.22 174.95 2dkl s PRO 34 N -0.69 2.61 0.41 0.24 0.04 -1.26 -3.77 135.00 132.59 2dkl s PRO 34 Ca -0.01 1.32 0.19 0.00 0.04 0.00 0.00 61.00 62.55 2dkl s PRO 34 Cb -0.05 -1.93 0.88 0.00 0.04 0.00 0.00 34.50 33.43 2dkl s PRO 34 CO 0.00 -1.38 1.84 0.07 0.04 0.00 0.00 177.00 177.56 2dkl h ARG 35 N -0.36 0.00 -0.26 4.56 0.11 -1.98 -3.03 114.38 113.42 2dkl h ARG 35 Ca -0.46 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.65 2dkl h ARG 35 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 2dkl h ARG 35 CO 0.53 0.31 -0.27 0.93 0.10 0.00 0.00 179.97 181.57 2dkl h GLU 36 N 0.00 -0.15 0.05 0.08 4.39 -2.00 -0.18 114.58 116.77 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 0.70 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 2dkl h GLU 36 CO 0.04 -0.10 -0.02 -1.00 -1.16 0.00 0.00 179.01 176.77 2dkl h PRO 37 N -0.15 -0.06 -1.08 2.33 0.13 -1.97 -2.94 132.00 128.25 2dkl h PRO 37 Ca 0.04 0.00 0.39 0.00 -0.87 0.00 0.00 66.00 65.57 2dkl h PRO 37 Cb 0.27 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.26 2dkl h PRO 37 CO -0.32 0.40 0.62 0.00 -0.23 0.00 0.00 178.00 178.47 2dkl h ALA 38 N 0.35 2.23 -0.01 -0.56 0.00 -1.40 0.49 119.26 120.36 2dkl h ALA 38 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2dkl h ALA 38 Cb 0.49 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dkl h ALA 38 CO 0.01 -0.93 -0.03 1.49 0.00 0.00 0.00 179.25 179.79 2dkl h GLU 39 N 0.12 0.03 0.89 0.00 4.81 -1.02 -3.00 114.58 116.41 2dkl h GLU 39 Ca 0.81 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.97 2dkl h GLU 39 Cb 2.14 0.01 0.01 0.00 0.63 0.00 0.00 28.75 31.54 2dkl h GLU 39 CO -0.64 0.69 -0.43 0.93 -0.73 0.00 0.00 179.01 178.84 2dkl h GLU 40 N -0.63 -1.15 -0.27 1.92 5.08 -0.32 -3.02 114.58 116.20 2dkl h GLU 40 Ca -0.00 0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2dkl h GLU 40 Cb 0.70 0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2dkl h GLU 40 CO 0.01 -0.77 -0.25 0.00 -1.00 0.00 0.00 179.01 176.99 2dkl h ALA 41 N -1.08 -0.43 -0.77 3.43 0.00 -0.37 -1.87 119.26 118.18 2dkl h ALA 41 Ca -0.12 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2dkl h ALA 41 Cb 0.92 0.98 -0.09 0.00 0.00 0.00 0.00 17.79 19.60 2dkl h ALA 41 CO 0.20 -0.57 -0.44 1.28 0.00 0.00 0.00 179.25 179.72 2dkl n LEU 42 N -3.93 -0.79 -0.33 0.00 4.77 -1.13 0.19 117.00 115.79 2dkl n LEU 42 Ca -0.01 1.36 0.23 0.00 -0.03 0.00 0.00 56.01 57.56 2dkl n LEU 42 Cb 0.14 -0.19 0.46 0.00 -2.33 0.00 0.00 43.42 41.50 2dkl n LEU 42 CO -0.02 -1.12 1.06 0.11 -1.33 0.00 0.00 177.39 176.09 2dkl h LYS 43 N 0.00 0.22 0.00 3.23 1.79 -1.21 1.04 116.57 121.64 2dkl h LYS 43 Ca 0.13 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.42 2dkl h LYS 43 Cb 0.32 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 2dkl h LYS 43 CO -0.72 0.14 -0.89 0.77 -1.08 0.00 0.00 179.45 177.67 2dkl h SER 44 N 0.22 0.00 -0.52 0.86 0.02 0.24 -3.26 113.55 111.12 2dkl h SER 44 Ca 0.72 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.39 2dkl h SER 44 Cb 1.67 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 64.05 2dkl h SER 44 CO -0.67 0.79 0.35 0.59 -1.14 0.00 0.00 176.83 176.76 2dkl n ASN 45 N -3.26 3.56 -3.99 3.07 3.02 0.34 -4.85 115.26 113.15 2dkl n ASN 45 Ca -0.01 -2.85 -0.33 0.00 -0.03 0.00 0.00 54.58 51.36 2dkl n ASN 45 Cb 0.87 -0.70 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.33 -2.98 -2.94 6.41 3.02 -0.68 0.63 115.26 118.39 2dkl n ASN 46 Ca 0.31 -0.83 -0.19 0.00 -0.03 0.00 0.00 54.58 53.85 2dkl n ASN 46 Cb 1.09 -2.48 0.06 0.00 -0.61 0.00 0.00 39.78 37.84 2dkl n ASN 46 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2dkl n MET 47 N -4.05 -6.28 -4.19 3.52 2.81 0.13 -5.01 117.12 104.05 2dkl n MET 47 Ca 0.06 0.66 -0.35 0.00 -1.81 0.00 0.00 57.70 56.26 2dkl n MET 47 Cb 0.49 -5.17 -0.08 0.00 -0.71 0.00 0.00 33.22 27.75 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 -3.28 5.57 -0.04 7.83 -0.87 0.20 -5.05 114.94 119.30 2dkl s ASN 48 Ca 0.45 0.19 -0.01 0.00 -1.57 0.00 0.00 52.86 51.92 2dkl s ASN 48 Cb -0.20 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.25 39.41 2dkl s ASN 48 CO 0.58 0.34 -0.02 0.25 -2.57 0.00 0.00 177.10 175.68 2dkl h LEU 49 N 4.74 0.00 -0.82 0.60 5.85 -1.95 -2.69 115.31 121.04 2dkl h LEU 49 Ca -0.51 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.41 2dkl h LEU 49 Cb 1.19 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.09 2dkl h LEU 49 CO 0.58 0.21 0.16 -2.24 -0.34 0.00 0.00 178.44 176.81 2dkl h ASP 50 N -0.37 -0.09 -0.18 1.25 2.03 -1.98 0.23 116.42 117.30 2dkl h ASP 50 Ca 0.00 0.19 -0.02 0.00 -0.73 0.00 0.00 57.03 56.46 2dkl h ASP 50 Cb 0.05 0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.82 2dkl h ASP 50 CO 0.00 -0.14 0.02 1.56 -1.03 0.00 0.00 179.24 179.65 2dkl h GLN 51 N 0.19 0.31 0.71 4.15 1.08 -1.93 -2.79 115.11 116.84 2dkl h GLN 51 Ca 0.49 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.57 2dkl h GLN 51 Cb 0.93 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2dkl h GLN 51 CO -0.63 0.48 -0.44 0.00 -0.95 0.00 0.00 178.83 177.29 2dkl h ALA 52 N 0.81 -1.12 -0.65 3.87 0.00 -0.60 -1.20 119.26 120.37 2dkl h ALA 52 Ca 0.06 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2dkl h ALA 52 Cb 0.33 0.54 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 2dkl h ALA 52 CO 0.00 -1.15 -0.56 0.52 0.00 0.00 0.00 179.25 178.07 2dkl h MET 53 N -1.08 -0.23 -0.56 0.00 2.86 -0.71 0.51 114.93 115.72 2dkl h MET 53 Ca -0.09 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.67 2dkl h MET 53 Cb 0.87 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.50 2dkl h MET 53 CO 0.09 -0.15 0.10 1.03 1.06 0.00 0.00 176.91 179.05 2dkl h SER 54 N -0.23 -0.03 -0.79 1.22 0.87 -1.44 0.23 113.55 113.39 2dkl h SER 54 Ca 0.12 0.11 0.21 0.00 -1.23 0.00 0.00 61.79 60.99 2dkl h SER 54 Cb 0.53 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2dkl h SER 54 CO -0.74 0.00 0.55 0.00 -0.53 0.00 0.00 176.83 176.12 2dkl h ALA 55 N 1.45 2.53 0.00 6.23 0.00 0.34 0.49 119.26 130.31 2dkl h ALA 55 Ca 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2dkl h ALA 55 Cb 0.42 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2dkl h ALA 55 CO -0.38 -0.76 -0.44 -0.07 0.00 0.00 0.00 179.25 177.60 2dkl h LEU 56 N 0.14 0.00 -0.89 0.00 3.38 0.28 -3.23 115.31 114.99 2dkl h LEU 56 Ca 0.39 -0.19 0.23 0.00 0.09 0.00 0.00 57.88 58.40 2dkl h LEU 56 Cb 1.31 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 2dkl h LEU 56 CO -0.06 0.83 0.33 -0.07 0.09 0.00 0.00 178.44 179.56 2dkl h LEU 57 N -1.00 0.19 0.90 1.67 3.38 -0.40 0.11 115.31 120.16 2dkl h LEU 57 Ca -0.06 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2dkl h LEU 57 Cb 0.54 0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2dkl h LEU 57 CO -0.04 -0.08 -0.43 -0.33 0.09 0.00 0.00 178.44 177.65 2dkl h GLU 58 N 0.30 -1.17 -0.39 1.13 4.39 -1.07 -3.14 114.58 114.63 2dkl h GLU 58 Ca 0.57 0.08 0.08 0.00 0.34 0.00 0.00 59.36 60.42 2dkl h GLU 58 Cb 1.13 0.26 -0.08 0.00 -0.10 0.00 0.00 28.75 29.96 2dkl h GLU 58 CO -0.59 -0.77 -0.11 0.87 -1.16 0.00 0.00 179.01 177.24 2dkl h LYS 59 N -1.25 -0.02 -4.39 2.33 1.79 -1.29 -3.35 116.57 110.39 2dkl h LYS 59 Ca -0.12 0.00 -0.73 0.00 -2.18 0.00 0.00 60.65 57.62 2dkl h LYS 59 Cb 0.93 0.01 -0.25 0.00 -1.58 0.00 0.00 32.23 31.34 2dkl h LYS 59 CO 0.20 -0.02 -0.40 0.15 -1.08 0.00 0.00 179.45 178.31 2dkl s LYS 60 N -6.21 2.82 -0.23 3.15 -0.14 0.29 -5.05 119.74 114.37 2dkl s LYS 60 Ca -0.14 -1.36 -0.29 0.00 -1.36 0.00 0.00 55.97 52.82 2dkl s LYS 60 Cb 0.14 -3.96 -0.01 0.00 -1.68 0.00 0.00 37.83 32.32 2dkl s LYS 60 CO 0.71 -0.97 1.31 0.54 -0.76 0.00 0.00 175.35 176.18 2dkl s VAL 61 N 1.55 4.16 0.13 3.17 0.11 -1.24 -4.49 120.40 123.80 2dkl s VAL 61 Ca 0.03 1.36 -0.01 0.00 -2.93 0.00 0.00 61.98 60.44 2dkl s VAL 61 Cb -0.23 -4.05 -0.04 0.00 -1.53 0.00 0.00 36.38 30.53 2dkl s VAL 61 CO 0.05 -0.31 0.04 1.51 -3.33 0.00 0.00 175.10 173.06 2dkl s ASP 62 N 2.55 0.44 -0.59 3.54 -4.77 -1.26 -5.11 116.67 111.47 2dkl s ASP 62 Ca 0.57 -1.18 -0.23 0.00 -3.30 0.00 0.00 52.55 48.41 2dkl s ASP 62 Cb -0.20 0.26 0.05 0.00 -1.09 0.00 0.00 42.92 41.95 2dkl s ASP 62 CO 0.20 -0.69 0.92 -0.69 0.70 0.00 0.00 175.17 175.61 2dkl s VAL 63 N -3.99 4.40 -0.14 2.11 1.01 -1.26 -4.98 120.40 117.57 2dkl s VAL 63 Ca 0.22 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 2dkl s VAL 63 Cb 0.07 -4.58 0.10 0.00 0.00 0.00 0.00 36.38 31.98 2dkl s VAL 63 CO 0.01 -1.22 0.85 -0.62 0.00 0.00 0.00 175.10 174.11 2dkl s ASP 64 N 3.16 -0.53 -0.37 3.32 2.15 -1.26 -5.13 116.67 118.00 2dkl s ASP 64 Ca 0.26 0.67 -0.22 0.00 0.43 0.00 0.00 52.55 53.69 2dkl s ASP 64 Cb -0.15 0.55 0.01 0.00 -0.30 0.00 0.00 42.92 43.03 2dkl s ASP 64 CO 0.15 -0.43 0.70 -0.54 -0.17 0.00 0.00 175.17 174.88 2dkl s LYS 65 N -0.89 3.64 0.43 4.34 -0.14 -1.26 -5.03 119.74 120.84 2dkl s LYS 65 Ca -0.05 0.08 -0.26 0.00 -1.36 0.00 0.00 55.97 54.39 2dkl s LYS 65 Cb -0.01 -3.83 -0.09 0.00 -1.68 0.00 0.00 37.83 32.21 2dkl s LYS 65 CO 0.04 -0.83 1.36 2.89 -0.76 0.00 0.00 175.35 178.05 2dkl n ARG 66 N 6.25 2.14 0.00 1.68 1.85 -1.26 -4.85 116.66 122.47 2dkl n ARG 66 Ca 0.00 0.76 0.00 0.00 -1.00 0.00 0.00 57.85 57.62 2dkl n ARG 66 Cb 0.48 -2.52 0.00 0.00 -1.05 0.00 0.00 32.46 29.37 2dkl n ARG 66 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dkl n GLY 67 N 0.67 2.60 3.55 2.89 0.00 -1.26 -5.00 105.19 108.65 2dkl n GLY 67 Ca 0.05 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2dkl n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dkl s LEU 68 N 0.00 3.25 -1.28 0.99 2.96 -1.26 -4.04 118.68 119.30 2dkl s LEU 68 Ca 0.00 -0.06 -0.21 0.00 -0.22 0.00 0.00 54.13 53.64 2dkl s LEU 68 Cb 0.00 -2.54 0.03 0.00 0.50 0.00 0.00 46.19 44.18 2dkl s LEU 68 CO 0.00 -2.37 0.40 0.61 -1.32 0.00 0.00 176.35 173.67 2dkl n GLY 69 N 5.98 -0.53 3.62 7.98 0.00 -1.26 -4.83 105.19 116.15 2dkl n GLY 69 Ca 0.23 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.88 4.34 0.27 1.61 -7.23 -1.26 -4.99 120.40 109.27 2dkl s VAL 70 Ca 0.29 1.49 -0.05 0.00 -1.81 0.00 0.00 61.98 61.90 2dkl s VAL 70 Cb -0.16 -4.44 -0.01 0.00 0.56 0.00 0.00 36.38 32.33 2dkl s VAL 70 CO 0.94 -0.66 0.38 0.42 -0.31 0.00 0.00 175.10 175.88 2dkl s THR 71 N 4.07 0.00 -0.09 5.32 -4.23 -1.26 -5.15 115.64 114.30 2dkl s THR 71 Ca 0.48 -1.65 -0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2dkl s THR 71 Cb -0.11 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 2dkl s THR 71 CO 0.22 0.00 0.01 -0.62 -0.54 0.00 0.00 174.62 173.69 2dkl s ASP 72 N -3.15 5.32 0.13 3.99 -1.08 -1.26 -5.11 116.67 115.51 2dkl s ASP 72 Ca 0.30 0.17 -0.20 0.00 -0.52 0.00 0.00 52.55 52.30 2dkl s ASP 72 Cb 0.01 -1.52 0.05 0.00 -1.46 0.00 0.00 42.92 40.01 2dkl s ASP 72 CO 0.15 0.38 0.50 -1.38 0.52 0.00 0.00 175.17 175.33 2dkl s HIS 73 N -0.89 -0.37 -1.71 -5.34 -3.43 -1.26 -4.93 115.29 97.37 2dkl s HIS 73 Ca 0.13 0.14 -0.21 0.00 -0.80 0.00 0.00 55.06 54.32 2dkl s HIS 73 Cb -0.11 0.40 0.21 0.00 -1.43 0.00 0.00 32.58 31.65 2dkl s HIS 73 CO 0.02 -0.76 0.53 0.27 -2.00 0.00 0.00 174.74 172.81 2dkl n ASN 74 N -0.22 -1.61 -4.27 7.38 6.94 -1.26 -4.89 115.26 117.34 2dkl n ASN 74 Ca -0.17 -1.14 -0.28 0.00 -0.02 0.00 0.00 54.58 52.98 2dkl n ASN 74 Cb 0.64 -1.45 -0.15 0.00 -2.36 0.00 0.00 39.78 36.45 2dkl n ASN 74 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2dkl s GLY 75 N -3.07 1.17 -0.33 4.83 0.00 -1.26 -5.10 107.32 103.55 2dkl s GLY 75 Ca 0.75 -1.06 -0.25 0.00 0.00 0.00 0.00 44.72 44.16 2dkl s GLY 75 CO 0.94 -0.94 0.87 -0.29 0.00 0.00 0.00 173.10 173.68 2dkl s MET 76 N -0.89 3.91 -0.30 2.90 1.75 -1.26 -4.98 119.30 120.43 2dkl s MET 76 Ca 0.09 0.62 -0.01 0.00 -1.25 0.00 0.00 55.69 55.13 2dkl s MET 76 Cb -0.09 -3.76 0.19 0.00 2.84 0.00 0.00 34.83 34.01 2dkl s MET 76 CO 0.01 -0.82 0.66 0.00 -0.65 0.00 0.00 175.02 174.21 2dkl s ALA 77 N 3.23 -2.45 -0.21 4.11 0.00 -1.26 -5.14 121.76 120.04 2dkl s ALA 77 Ca 0.36 1.65 -0.07 0.00 0.00 0.00 0.00 51.96 53.89 2dkl s ALA 77 Cb -0.13 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.80 2dkl s ALA 77 CO 0.15 -1.46 0.44 0.00 0.00 0.00 0.00 175.76 174.89 2dkl s ALA 78 N 2.87 -1.24 -0.98 0.00 0.00 -1.26 -5.08 121.76 116.07 2dkl s ALA 78 Ca 0.17 1.56 -0.25 0.00 0.00 0.00 0.00 51.96 53.43 2dkl s ALA 78 Cb -0.13 -1.38 -0.24 0.00 0.00 0.00 0.00 23.12 21.36 2dkl s ALA 78 CO -0.21 -0.79 2.55 1.17 0.00 0.00 0.00 175.76 178.48 2dkl n LYS 79 N 5.40 0.04 -3.69 0.00 0.00 -1.26 -4.84 118.16 113.81 2dkl n LYS 79 Ca -0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 58.31 58.11 2dkl n LYS 79 Cb 0.49 -1.47 -0.11 0.00 0.00 0.00 0.00 35.03 33.94 2dkl n LYS 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2dkl s SER 80 N 6.97 -0.40 0.00 3.14 1.04 -1.26 -5.10 113.70 118.10 2dkl s SER 80 Ca 1.33 0.87 0.00 0.00 0.48 0.00 0.00 55.95 58.64 2dkl s SER 80 Cb -1.11 0.86 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2dkl s SER 80 CO 0.50 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2dkl n GLY 81 N 4.55 -1.83 3.65 7.32 0.00 -1.26 -5.17 105.19 112.45 2dkl n GLY 81 Ca -0.20 0.96 -0.29 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.01 -0.13 1.61 0.04 -1.26 -5.08 135.00 130.17 2dkl s PRO 82 Ca 0.00 0.37 -0.05 0.00 0.04 0.00 0.00 61.00 61.37 2dkl s PRO 82 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.91 2dkl s PRO 82 CO 0.00 -3.00 0.26 -1.12 0.04 0.00 0.00 177.00 173.19 2dkl s SER 83 N -3.53 0.39 0.64 6.66 0.01 -1.26 -5.16 113.70 111.45 2dkl s SER 83 Ca 0.67 0.56 -0.02 0.00 1.31 0.00 0.00 55.95 58.46 2dkl s SER 83 Cb -0.17 0.69 0.06 0.00 0.21 0.00 0.00 66.02 66.81 2dkl s SER 83 CO 0.57 -0.24 0.91 -0.94 0.41 0.00 0.00 173.24 173.95 2dkl s SER 84 N 2.42 4.94 0.00 2.44 1.04 -1.26 -5.38 113.70 117.89 2dkl s SER 84 Ca 0.02 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2dkl s SER 84 Cb -0.12 -0.85 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2dkl s SER 84 CO -0.09 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.30