#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 6.33 -0.14 1.61 0.15 -1.26 -5.03 113.70 115.36 2dkl s SER 2 Ca 0.00 -0.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.53 2dkl s SER 2 Cb 0.00 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 2dkl s SER 2 CO 0.00 -0.53 0.29 -0.44 1.20 0.00 0.00 173.24 173.76 2dkl s SER 3 N 1.79 0.09 0.00 5.45 0.01 -1.26 -4.99 113.70 114.79 2dkl s SER 3 Ca 0.19 0.66 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2dkl s SER 3 Cb -0.15 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2dkl s SER 3 CO 0.14 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2dkl n GLY 4 N 5.07 -0.31 0.06 3.44 0.00 -1.26 -5.06 105.19 107.13 2dkl n GLY 4 Ca -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.71 1.56 0.04 1.61 7.64 -1.26 -4.59 113.62 117.91 2dkl n SER 5 Ca 0.00 0.54 -0.13 0.00 1.01 0.00 0.00 58.87 60.29 2dkl n SER 5 Cb 0.27 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.58 2dkl n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dkl h SER 6 N -0.86 -1.43 0.00 6.43 0.02 -2.05 -3.46 113.55 112.21 2dkl h SER 6 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dkl h SER 6 Cb 0.49 0.54 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2dkl h SER 6 CO 0.00 -0.44 0.00 0.61 -1.14 0.00 0.00 176.83 175.86 2dkl n GLY 7 N -1.39 1.50 0.00 -3.77 0.00 -1.26 -4.88 105.19 95.39 2dkl n GLY 7 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 2.89 3.99 -0.02 0.00 -1.26 -5.17 105.19 105.62 2dkl n GLY 8 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 2dkl n GLY 8 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkl s MET 9 N -1.09 2.65 -0.17 1.61 -1.94 -1.26 -5.13 119.30 113.97 2dkl s MET 9 Ca 0.00 -1.04 -0.16 0.00 -1.71 0.00 0.00 55.69 52.79 2dkl s MET 9 Cb 0.00 -2.62 0.05 0.00 2.01 0.00 0.00 34.83 34.27 2dkl s MET 9 CO 0.00 -0.52 0.46 0.21 -0.01 0.00 0.00 175.02 175.15 2dkl s LYS 10 N -4.57 0.53 -0.02 2.03 2.36 -1.26 -5.17 119.74 113.64 2dkl s LYS 10 Ca 0.57 0.64 -0.10 0.00 -2.55 0.00 0.00 55.97 54.53 2dkl s LYS 10 Cb -0.10 0.25 0.01 0.00 -1.05 0.00 0.00 37.83 36.94 2dkl s LYS 10 CO 0.36 -0.07 0.21 0.99 1.55 0.00 0.00 175.35 178.40 2dkl s THR 11 N 0.28 0.06 0.15 3.43 2.01 -1.26 -5.16 115.64 115.15 2dkl s THR 11 Ca -0.00 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.44 2dkl s THR 11 Cb -0.03 -0.46 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 2dkl s THR 11 CO 0.00 -0.25 0.47 -0.44 -0.69 0.00 0.00 174.62 173.71 2dkl s SER 12 N -1.00 6.65 0.00 3.53 0.01 -1.26 -4.98 113.70 116.65 2dkl s SER 12 Ca -0.11 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2dkl s SER 12 Cb -0.05 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dkl s SER 12 CO 0.02 0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2dkl n GLY 13 N 0.45 1.25 2.66 3.44 0.00 -1.26 -4.84 105.19 106.90 2dkl n GLY 13 Ca -0.04 -2.22 -0.34 0.00 0.00 0.00 0.00 46.02 43.42 2dkl n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkl n LYS 14 N -1.18 2.88 0.09 1.61 4.01 -1.26 -4.54 118.16 119.76 2dkl n LYS 14 Ca 0.00 -3.02 -0.13 0.00 -0.51 0.00 0.00 58.31 54.65 2dkl n LYS 14 Cb 0.00 -2.25 -0.09 0.00 -0.51 0.00 0.00 35.03 32.18 2dkl n LYS 14 CO 0.00 0.00 0.00 -0.56 -1.11 0.00 0.00 177.40 175.73 2dkl h GLN 15 N 3.19 0.25 -4.71 1.97 -0.00 -1.94 -3.47 115.11 110.40 2dkl h GLN 15 Ca 0.49 -0.36 -0.29 0.00 -0.00 0.00 0.00 58.65 58.49 2dkl h GLN 15 Cb 0.40 0.12 -0.15 0.00 -0.00 0.00 0.00 27.48 27.86 2dkl h GLN 15 CO 1.15 1.12 -0.61 0.34 -0.00 0.00 0.00 178.83 180.84 2dkl s ASP 16 N -7.05 0.62 -0.15 0.06 2.15 -1.26 -5.07 116.67 105.97 2dkl s ASP 16 Ca -0.04 -1.42 0.04 0.00 0.43 0.00 0.00 52.55 51.56 2dkl s ASP 16 Cb 0.08 0.33 -0.23 0.00 -0.30 0.00 0.00 42.92 42.80 2dkl s ASP 16 CO 0.86 -0.82 0.24 1.21 -0.17 0.00 0.00 175.17 176.49 2dkl n GLU 17 N -0.37 0.69 -0.12 4.34 2.13 -1.26 -4.21 120.64 121.85 2dkl n GLU 17 Ca 0.02 0.20 -0.06 0.00 0.66 0.00 0.00 57.16 57.98 2dkl n GLU 17 Cb 0.66 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.72 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 0.40 0.05 -0.76 4.31 0.00 -2.01 0.92 119.26 122.18 2dkl h ALA 18 Ca -0.45 0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.70 2dkl h ALA 18 Cb 2.03 0.53 -0.05 0.00 0.00 0.00 0.00 17.79 20.30 2dkl h ALA 18 CO 0.03 -0.59 0.50 0.11 0.00 0.00 0.00 179.25 179.30 2dkl h TRP 19 N -0.15 0.71 -0.06 0.00 5.08 -1.98 -2.14 115.95 117.42 2dkl h TRP 19 Ca 0.20 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.18 2dkl h TRP 19 Cb 0.46 -0.23 -0.00 0.00 -3.00 0.00 0.00 29.16 26.39 2dkl h TRP 19 CO -0.46 0.33 0.03 0.82 -1.28 0.00 0.00 178.44 177.87 2dkl h ILE 20 N 0.66 1.10 -0.72 0.12 2.04 -1.02 -2.93 117.51 116.76 2dkl h ILE 20 Ca 0.35 -0.29 0.23 0.00 1.00 0.00 0.00 64.86 66.15 2dkl h ILE 20 Cb 0.48 1.19 -0.13 0.00 -0.74 0.00 0.00 36.82 37.62 2dkl h ILE 20 CO -0.13 0.08 0.11 0.80 0.00 0.00 0.00 178.15 179.02 2dkl n MET 21 N -4.99 -0.05 -0.08 2.37 1.56 -0.74 0.17 117.12 115.36 2dkl n MET 21 Ca -0.06 1.06 -0.07 0.00 -0.27 0.00 0.00 57.70 58.36 2dkl n MET 21 Cb 0.08 -1.73 -0.00 0.00 2.15 0.00 0.00 33.22 33.71 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 -0.23 -0.88 6.12 0.87 -1.61 -2.69 113.55 115.13 2dkl h SER 22 Ca 0.48 0.08 0.09 0.00 -1.23 0.00 0.00 61.79 61.22 2dkl h SER 22 Cb 1.09 0.16 -0.11 0.00 -0.44 0.00 0.00 62.40 63.10 2dkl h SER 22 CO -0.65 -0.08 -0.48 0.54 -0.53 0.00 0.00 176.83 175.64 2dkl n ARG 23 N -5.22 -0.35 -0.29 2.24 1.74 0.46 0.15 116.66 115.39 2dkl n ARG 23 Ca -0.00 1.33 0.05 0.00 -0.77 0.00 0.00 57.85 58.46 2dkl n ARG 23 Cb 0.17 -1.96 0.26 0.00 -1.02 0.00 0.00 32.46 29.91 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 0.86 0.28 0.55 3.38 -1.53 -2.59 115.31 116.27 2dkl h LEU 24 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2dkl h LEU 24 Cb 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2dkl h LEU 24 CO -0.84 0.54 -0.13 0.40 0.09 0.00 0.00 178.44 178.50 2dkl h ILE 25 N 0.97 0.74 -0.62 1.22 1.08 0.15 -3.20 117.51 117.85 2dkl h ILE 25 Ca 0.39 -0.14 0.06 0.00 -0.39 0.00 0.00 64.86 64.77 2dkl h ILE 25 Cb 0.26 0.83 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 2dkl h ILE 25 CO -0.15 0.03 -0.37 1.17 -0.69 0.00 0.00 178.15 178.14 2dkl n LYS 26 N -5.22 -0.27 -0.31 2.37 3.00 0.40 0.12 118.16 118.24 2dkl n LYS 26 Ca -0.10 1.15 0.22 0.00 -0.00 0.00 0.00 58.31 59.58 2dkl n LYS 26 Cb 0.19 -1.69 0.41 0.00 0.00 0.00 0.00 35.03 33.95 2dkl n LYS 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2dkl n GLN 27 N -4.49 -0.06 0.09 1.64 1.13 -1.21 -0.82 117.38 113.65 2dkl n GLN 27 Ca 0.01 1.32 -0.07 0.00 -1.94 0.00 0.00 57.00 56.32 2dkl n GLN 27 Cb 0.16 -2.23 -0.04 0.00 0.11 0.00 0.00 30.24 28.24 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 -0.27 -1.28 1.08 4.07 0.79 -3.17 115.31 116.53 2dkl h LEU 28 Ca 0.68 -0.09 0.46 0.00 0.08 0.00 0.00 57.88 59.00 2dkl h LEU 28 Cb 1.64 0.07 -0.14 0.00 1.08 0.00 0.00 40.66 43.30 2dkl h LEU 28 CO -0.78 0.22 0.80 0.35 -1.08 0.00 0.00 178.44 177.95 2dkl n THR 29 N -4.99 -0.28 -0.14 0.22 -2.24 0.04 0.22 114.28 107.12 2dkl n THR 29 Ca -0.05 1.80 -0.12 0.00 -2.27 0.00 0.00 64.05 63.40 2dkl n THR 29 Cb 0.18 -2.94 -0.02 0.00 -2.10 0.00 0.00 70.33 65.45 2dkl n THR 29 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2dkl h ASP 30 N 0.00 0.98 0.40 3.42 1.82 -1.19 -3.31 116.42 118.54 2dkl h ASP 30 Ca 0.85 -0.43 -0.02 0.00 -0.39 0.00 0.00 57.03 57.05 2dkl h ASP 30 Cb 2.66 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 42.40 2dkl h ASP 30 CO -0.51 1.20 -0.26 0.24 -1.61 0.00 0.00 179.24 178.29 2dkl h MET 31 N 0.76 -0.60 0.00 0.28 2.86 0.27 -3.46 114.93 115.03 2dkl h MET 31 Ca 0.08 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2dkl h MET 31 Cb 0.87 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.66 2dkl h MET 31 CO 0.08 -0.40 0.00 0.41 1.06 0.00 0.00 176.91 178.06 2dkl n GLY 32 N -1.33 0.00 3.06 8.32 0.00 -1.01 -5.13 105.19 109.11 2dkl n GLY 32 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 0.93 0.71 1.61 0.08 -1.25 -5.06 117.98 115.01 2dkl s PHE 33 Ca 0.00 -0.25 -0.13 0.00 0.12 0.00 0.00 56.93 56.67 2dkl s PHE 33 Cb 0.00 -0.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.90 2dkl s PHE 33 CO 0.00 -0.01 1.10 -1.25 -0.10 0.00 0.00 175.22 174.96 2dkl s PRO 34 N -0.63 2.55 0.37 0.24 0.04 -1.26 -3.72 135.00 132.59 2dkl s PRO 34 Ca 0.02 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.48 2dkl s PRO 34 Cb -0.05 -1.93 0.72 0.00 0.04 0.00 0.00 34.50 33.28 2dkl s PRO 34 CO 0.00 -1.43 1.81 0.07 0.04 0.00 0.00 177.00 177.49 2dkl h ARG 35 N -0.50 0.00 -0.42 4.56 0.11 -1.98 -3.02 114.38 113.14 2dkl h ARG 35 Ca -0.45 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.67 2dkl h ARG 35 Cb 1.24 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.26 2dkl h ARG 35 CO 0.53 0.39 -0.31 0.93 0.10 0.00 0.00 179.97 181.61 2dkl h GLU 36 N 0.00 -0.08 0.05 0.08 3.07 -2.00 0.11 114.58 115.81 2dkl h GLU 36 Ca -0.00 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2dkl h GLU 36 Cb 0.71 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 2dkl h GLU 36 CO 0.05 -0.05 -0.02 -1.00 -1.40 0.00 0.00 179.01 176.59 2dkl h PRO 37 N -0.08 -0.06 -0.99 2.33 0.13 -1.97 -2.87 132.00 128.49 2dkl h PRO 37 Ca 0.07 0.00 0.35 0.00 -0.87 0.00 0.00 66.00 65.55 2dkl h PRO 37 Cb 0.25 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.24 2dkl h PRO 37 CO -0.43 0.40 0.52 0.00 -0.23 0.00 0.00 178.00 178.25 2dkl h ALA 38 N 0.35 1.96 -0.04 -0.56 0.00 -1.36 0.46 119.26 120.06 2dkl h ALA 38 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2dkl h ALA 38 Cb 0.50 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2dkl h ALA 38 CO 0.01 -0.70 -0.10 1.49 0.00 0.00 0.00 179.25 179.94 2dkl h GLU 39 N 0.19 0.13 0.94 0.00 4.81 -0.79 -2.83 114.58 117.03 2dkl h GLU 39 Ca 0.76 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.85 2dkl h GLU 39 Cb 1.83 0.02 0.01 0.00 0.63 0.00 0.00 28.75 31.23 2dkl h GLU 39 CO -0.68 0.71 -0.46 0.93 -0.73 0.00 0.00 179.01 178.79 2dkl h GLU 40 N -0.42 -1.22 -0.19 1.92 5.08 -0.37 -2.92 114.58 116.46 2dkl h GLU 40 Ca -0.00 0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2dkl h GLU 40 Cb 0.72 0.28 -0.04 0.00 0.50 0.00 0.00 28.75 30.20 2dkl h GLU 40 CO 0.02 -0.81 -0.30 0.00 -1.00 0.00 0.00 179.01 176.92 2dkl h ALA 41 N -1.19 -0.58 -0.40 3.43 0.00 -0.40 -2.59 119.26 117.52 2dkl h ALA 41 Ca -0.13 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2dkl h ALA 41 Cb 0.97 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.62 2dkl h ALA 41 CO 0.21 -0.72 -0.24 1.28 0.00 0.00 0.00 179.25 179.78 2dkl n LEU 42 N -4.13 -0.43 -0.32 0.00 4.77 -1.07 0.17 117.00 116.00 2dkl n LEU 42 Ca -0.02 1.09 0.31 0.00 -0.03 0.00 0.00 56.01 57.36 2dkl n LEU 42 Cb 0.19 -0.28 0.57 0.00 -2.33 0.00 0.00 43.42 41.56 2dkl n LEU 42 CO 0.01 -0.77 1.02 0.29 -1.33 0.00 0.00 177.39 176.61 2dkl n LYS 43 N -3.92 -0.05 0.05 3.23 5.02 -1.00 0.22 118.16 121.71 2dkl n LYS 43 Ca 0.01 1.29 -0.10 0.00 -2.02 0.00 0.00 58.31 57.48 2dkl n LYS 43 Cb 0.11 -2.34 -0.13 0.00 -0.02 0.00 0.00 35.03 32.64 2dkl n LYS 43 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dkl h SER 44 N 0.00 0.13 -0.32 4.39 0.02 0.19 -3.31 113.55 114.65 2dkl h SER 44 Ca 0.81 -0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 61.40 2dkl h SER 44 Cb 2.19 -0.04 -0.10 0.00 0.14 0.00 0.00 62.40 64.59 2dkl h SER 44 CO -0.69 1.13 0.25 0.59 -1.14 0.00 0.00 176.83 176.97 2dkl n ASN 45 N -3.32 4.58 -3.84 3.07 3.02 0.60 -4.81 115.26 114.56 2dkl n ASN 45 Ca -0.08 -2.68 -0.29 0.00 -0.03 0.00 0.00 54.58 51.50 2dkl n ASN 45 Cb 1.00 -0.83 -0.05 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.31 -1.92 -2.75 6.41 3.02 -0.83 0.89 115.26 120.40 2dkl n ASN 46 Ca 0.20 -0.66 -0.14 0.00 -0.03 0.00 0.00 54.58 53.95 2dkl n ASN 46 Cb 0.73 -1.68 0.06 0.00 -0.61 0.00 0.00 39.78 38.28 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 -3.62 -5.11 -4.19 3.52 2.81 -0.53 -5.02 117.12 104.98 2dkl n MET 47 Ca 0.07 0.61 -0.28 0.00 -1.81 0.00 0.00 57.70 56.29 2dkl n MET 47 Cb 0.48 -4.94 -0.08 0.00 -0.71 0.00 0.00 33.22 27.97 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 -3.74 4.77 -0.13 7.83 -0.87 0.26 -5.07 114.94 117.99 2dkl s ASN 48 Ca 0.14 -0.34 -0.09 0.00 -1.57 0.00 0.00 52.86 51.00 2dkl s ASN 48 Cb -0.06 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.25 40.11 2dkl s ASN 48 CO 0.53 0.13 -0.18 -0.11 -2.57 0.00 0.00 177.10 174.89 2dkl n LEU 49 N 0.19 1.60 -0.29 0.60 7.94 -1.26 -3.35 117.00 122.44 2dkl n LEU 49 Ca -0.11 0.54 0.03 0.00 -1.11 0.00 0.00 56.01 55.36 2dkl n LEU 49 Cb 0.54 -0.81 0.17 0.00 0.53 0.00 0.00 43.42 43.86 2dkl n LEU 49 CO 0.38 -0.45 1.13 0.44 -1.11 0.00 0.00 177.39 177.78 2dkl h ASP 50 N -0.87 0.65 -0.18 1.96 3.32 -1.98 0.23 116.42 119.54 2dkl h ASP 50 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2dkl h ASP 50 Cb 0.52 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 2dkl h ASP 50 CO 0.00 0.36 0.05 1.56 -1.72 0.00 0.00 179.24 179.49 2dkl h GLN 51 N 0.76 0.28 0.78 3.56 4.20 -1.93 -2.79 115.11 119.98 2dkl h GLN 51 Ca 0.40 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 59.01 2dkl h GLN 51 Cb 0.40 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.15 2dkl h GLN 51 CO -0.26 0.40 -0.37 0.00 -0.67 0.00 0.00 178.83 177.92 2dkl h ALA 52 N 0.87 -1.09 -0.52 3.87 0.00 -1.39 -2.73 119.26 118.28 2dkl h ALA 52 Ca 0.06 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dkl h ALA 52 Cb 0.23 0.40 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2dkl h ALA 52 CO -0.00 -1.02 -0.30 -1.33 0.00 0.00 0.00 179.25 176.60 2dkl n MET 53 N -5.29 -0.23 -0.32 0.00 2.81 0.75 0.14 117.12 114.98 2dkl n MET 53 Ca -0.13 1.18 0.24 0.00 -1.81 0.00 0.00 57.70 57.19 2dkl n MET 53 Cb 0.41 -1.75 0.54 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.38 -0.21 7.83 0.87 -1.56 0.63 113.55 121.49 2dkl h SER 54 Ca 0.08 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 2dkl h SER 54 Cb 0.21 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2dkl h SER 54 CO -0.49 0.07 -0.04 0.00 -0.53 0.00 0.00 176.83 175.84 2dkl h ALA 55 N 1.60 1.30 0.18 6.23 0.00 0.15 0.33 119.26 129.05 2dkl h ALA 55 Ca 0.59 -0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.94 2dkl h ALA 55 Cb 1.61 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2dkl h ALA 55 CO -0.26 0.47 -1.63 -0.07 0.00 0.00 0.00 179.25 177.76 2dkl h LEU 56 N 0.51 0.60 0.19 0.00 3.38 0.14 -3.37 115.31 116.76 2dkl h LEU 56 Ca 0.10 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 57.26 2dkl h LEU 56 Cb 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2dkl h LEU 56 CO 0.02 1.67 -0.09 -0.07 0.09 0.00 0.00 178.44 180.06 2dkl h LEU 57 N 0.10 -0.21 -0.74 1.67 3.38 -0.46 -3.22 115.31 115.82 2dkl h LEU 57 Ca -0.29 -0.31 0.24 0.00 0.09 0.00 0.00 57.88 57.61 2dkl h LEU 57 Cb 2.09 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 42.76 2dkl h LEU 57 CO 0.19 0.26 0.16 -1.84 0.09 0.00 0.00 178.44 177.30 2dkl n GLU 58 N -4.99 -0.05 -0.18 1.13 -0.00 0.11 0.23 120.64 116.89 2dkl n GLU 58 Ca -0.08 1.08 -0.13 0.00 -0.00 0.00 0.00 57.16 58.02 2dkl n GLU 58 Cb 0.26 -1.79 -0.10 0.00 -0.00 0.00 0.00 31.44 29.81 2dkl n GLU 58 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2dkl h LYS 59 N 0.00 -0.33 -6.07 3.44 1.57 -1.71 -3.41 116.57 110.06 2dkl h LYS 59 Ca 0.52 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.75 2dkl h LYS 59 Cb 1.20 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 2dkl h LYS 59 CO -0.65 -0.22 -0.51 0.21 -0.57 0.00 0.00 179.45 177.71 2dkl s LYS 60 N -5.64 3.24 -0.37 3.15 2.47 0.14 -5.08 119.74 117.65 2dkl s LYS 60 Ca -0.14 -0.65 -0.18 0.00 -1.56 0.00 0.00 55.97 53.44 2dkl s LYS 60 Cb 0.09 -2.87 0.00 0.00 -1.46 0.00 0.00 37.83 33.59 2dkl s LYS 60 CO 0.62 0.53 0.52 0.08 0.16 0.00 0.00 175.35 177.26 2dkl s VAL 61 N -1.66 5.00 -0.02 4.02 1.01 -1.26 -4.84 120.40 122.65 2dkl s VAL 61 Ca 0.33 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 2dkl s VAL 61 Cb -0.11 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2dkl s VAL 61 CO 0.26 -0.28 0.47 -1.81 0.00 0.00 0.00 175.10 173.74 2dkl s ASP 62 N 1.80 -0.39 -0.63 3.32 1.01 -1.26 -5.12 116.67 115.39 2dkl s ASP 62 Ca 0.19 0.33 -0.06 0.00 0.71 0.00 0.00 52.55 53.72 2dkl s ASP 62 Cb -0.15 0.42 0.16 0.00 1.01 0.00 0.00 42.92 44.36 2dkl s ASP 62 CO 0.14 -0.55 0.48 -0.69 0.21 0.00 0.00 175.17 174.76 2dkl s VAL 63 N -1.44 4.09 0.23 -1.27 1.01 -1.26 -5.06 120.40 116.70 2dkl s VAL 63 Ca -0.11 -2.69 0.11 0.00 0.00 0.00 0.00 61.98 59.29 2dkl s VAL 63 Cb -0.03 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2dkl s VAL 63 CO 0.06 -0.88 -0.22 -1.81 0.00 0.00 0.00 175.10 172.25 2dkl s ASP 64 N 1.23 3.45 1.09 3.32 1.11 -1.26 -5.13 116.67 120.49 2dkl s ASP 64 Ca 0.15 -0.95 -0.19 0.00 0.18 0.00 0.00 52.55 51.75 2dkl s ASP 64 Cb -0.19 -0.27 0.09 0.00 1.07 0.00 0.00 42.92 43.62 2dkl s ASP 64 CO -0.04 0.07 -0.09 0.29 1.18 0.00 0.00 175.17 176.58 2dkl n LYS 65 N -0.18 -1.66 -2.72 8.23 5.02 -1.26 -4.83 118.16 120.76 2dkl n LYS 65 Ca -0.09 -0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 55.29 2dkl n LYS 65 Cb 0.58 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2dkl n LYS 65 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dkl n ARG 66 N -1.58 3.55 -0.69 1.97 3.00 -1.26 -4.97 116.66 116.67 2dkl n ARG 66 Ca 0.02 -3.79 0.09 0.00 -0.01 0.00 0.00 57.85 54.16 2dkl n ARG 66 Cb 0.58 -2.93 -0.02 0.00 0.00 0.00 0.00 32.46 30.08 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 3.31 -0.90 3.81 -0.13 0.00 -1.26 -4.76 105.19 105.26 2dkl n GLY 67 Ca 0.37 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2dkl n GLY 67 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2dkl s LEU 68 N -3.94 3.16 0.08 0.99 -0.00 -1.26 -4.88 118.68 112.83 2dkl s LEU 68 Ca 0.00 1.68 0.00 0.00 -0.00 0.00 0.00 54.13 55.81 2dkl s LEU 68 Cb 0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 46.19 41.69 2dkl s LEU 68 CO 0.00 -1.51 0.00 0.61 -0.00 0.00 0.00 176.35 175.45 2dkl n GLY 69 N -1.74 -3.23 3.68 -3.48 0.00 -1.26 -5.00 105.19 94.16 2dkl n GLY 69 Ca 0.08 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.23 1.96 0.00 1.61 -7.23 -1.26 -4.99 120.40 108.26 2dkl s VAL 70 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2dkl s VAL 70 Cb 0.00 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 34.42 2dkl s VAL 70 CO 0.00 0.00 0.00 1.07 -0.31 0.00 0.00 175.10 175.86 2dkl n THR 71 N -4.23 0.00 -3.38 5.32 5.66 -1.26 -5.04 114.28 111.35 2dkl n THR 71 Ca 0.06 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.68 2dkl n THR 71 Cb 0.58 -0.46 -0.07 0.00 -1.55 0.00 0.00 70.33 68.83 2dkl n THR 71 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2dkl s ASP 72 N -2.13 6.47 -0.54 1.09 2.15 -1.26 -5.04 116.67 117.42 2dkl s ASP 72 Ca 0.00 0.56 -0.20 0.00 0.43 0.00 0.00 52.55 53.34 2dkl s ASP 72 Cb 0.00 -2.24 0.07 0.00 -0.30 0.00 0.00 42.92 40.45 2dkl s ASP 72 CO 0.00 -0.07 0.69 -2.28 -0.17 0.00 0.00 175.17 173.34 2dkl s HIS 73 N 1.23 2.99 -0.10 -5.34 5.65 -1.26 -5.00 115.29 113.46 2dkl s HIS 73 Ca 0.20 -0.58 -0.04 0.00 0.25 0.00 0.00 55.06 54.90 2dkl s HIS 73 Cb -0.15 -3.74 0.05 0.00 -1.18 0.00 0.00 32.58 27.57 2dkl s HIS 73 CO 0.08 -1.16 0.17 1.21 -0.65 0.00 0.00 174.74 174.39 2dkl s ASN 74 N 2.96 0.86 -0.26 9.88 2.47 -1.26 -5.02 114.94 124.57 2dkl s ASN 74 Ca 0.16 0.25 0.04 0.00 0.42 0.00 0.00 52.86 53.73 2dkl s ASN 74 Cb -0.19 0.29 0.14 0.00 -1.45 0.00 0.00 41.25 40.04 2dkl s ASN 74 CO 0.11 -0.26 1.04 0.61 -3.72 0.00 0.00 177.10 174.89 2dkl n GLY 75 N 5.32 -0.13 3.63 1.21 0.00 -1.26 -5.14 105.19 108.83 2dkl n GLY 75 Ca -0.05 -0.05 -0.48 0.00 0.00 0.00 0.00 46.02 45.44 2dkl n GLY 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dkl n MET 76 N -0.54 1.63 -1.23 1.61 2.81 -1.26 -4.94 117.12 115.20 2dkl n MET 76 Ca -0.17 0.59 -0.31 0.00 -1.81 0.00 0.00 57.70 56.00 2dkl n MET 76 Cb 0.68 -2.24 0.10 0.00 -0.71 0.00 0.00 33.22 31.05 2dkl n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dkl s ALA 77 N 0.34 2.16 0.11 3.04 0.00 -1.26 -5.07 121.76 121.08 2dkl s ALA 77 Ca 0.77 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2dkl s ALA 77 Cb -0.79 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.08 2dkl s ALA 77 CO 0.46 -1.86 0.30 0.00 0.00 0.00 0.00 175.76 174.66 2dkl s ALA 78 N -2.90 -0.57 -0.24 0.00 0.00 -1.26 -5.17 121.76 111.61 2dkl s ALA 78 Ca 0.62 -0.35 -0.26 0.00 0.00 0.00 0.00 51.96 51.97 2dkl s ALA 78 Cb -0.17 0.60 0.10 0.00 0.00 0.00 0.00 23.12 23.65 2dkl s ALA 78 CO 0.56 -0.58 0.91 0.21 0.00 0.00 0.00 175.76 176.86 2dkl s LYS 79 N -3.84 0.65 0.23 0.00 2.20 -1.26 -5.18 119.74 112.55 2dkl s LYS 79 Ca 0.04 0.62 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 2dkl s LYS 79 Cb 0.03 0.32 -0.05 0.00 -1.51 0.00 0.00 37.83 36.62 2dkl s LYS 79 CO -0.11 -0.11 0.09 0.45 -0.36 0.00 0.00 175.35 175.31 2dkl s SER 80 N -0.02 0.93 -0.44 1.43 0.15 -1.26 -5.13 113.70 109.37 2dkl s SER 80 Ca 0.00 -1.36 0.05 0.00 0.70 0.00 0.00 55.95 55.34 2dkl s SER 80 Cb -0.04 0.21 0.17 0.00 -1.71 0.00 0.00 66.02 64.66 2dkl s SER 80 CO -0.02 -0.74 0.49 -0.83 1.20 0.00 0.00 173.24 173.34 2dkl s GLY 81 N -3.26 -0.08 0.80 9.45 0.00 -1.26 -5.15 107.32 107.82 2dkl s GLY 81 Ca 0.37 -1.24 -0.13 0.00 0.00 0.00 0.00 44.72 43.71 2dkl s GLY 81 CO 0.12 2.88 0.71 -1.55 0.00 0.00 0.00 173.10 175.26 2dkl n PRO 82 N 3.35 -2.40 -3.69 2.90 -0.04 -1.26 -5.10 135.00 128.76 2dkl n PRO 82 Ca 0.20 -1.13 -0.14 0.00 -0.04 0.00 0.00 63.50 62.39 2dkl n PRO 82 Cb 0.50 -1.06 -0.09 0.00 -0.04 0.00 0.00 33.50 32.81 2dkl n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkl s SER 83 N -3.42 -0.50 -0.13 3.54 0.15 -1.26 -5.07 113.70 107.02 2dkl s SER 83 Ca 0.46 0.87 -0.21 0.00 0.70 0.00 0.00 55.95 57.78 2dkl s SER 83 Cb -0.05 0.90 -0.26 0.00 -1.71 0.00 0.00 66.02 64.90 2dkl s SER 83 CO 0.35 -0.26 0.56 0.77 1.20 0.00 0.00 173.24 175.87 2dkl h SER 84 N 4.91 0.22 0.00 5.45 4.64 -2.10 -3.58 113.55 123.09 2dkl h SER 84 Ca -0.28 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 2dkl h SER 84 Cb 1.17 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2dkl h SER 84 CO 0.23 1.43 0.00 0.61 -0.87 0.00 0.00 176.83 178.23