#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 5.70 0.05 1.61 1.04 -1.26 -5.05 113.70 115.78 2dkl s SER 2 Ca 0.00 -0.18 -0.32 0.00 0.48 0.00 0.00 55.95 55.93 2dkl s SER 2 Cb 0.00 -1.50 -0.18 0.00 0.10 0.00 0.00 66.02 64.43 2dkl s SER 2 CO 0.00 -0.04 1.45 0.28 0.98 0.00 0.00 173.24 175.91 2dkl h SER 3 N 1.44 -0.86 0.00 7.02 0.02 -2.14 -3.46 113.55 115.57 2dkl h SER 3 Ca -0.49 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2dkl h SER 3 Cb 1.24 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2dkl h SER 3 CO 0.61 -0.56 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 2dkl n GLY 4 N -1.24 2.10 3.64 -3.77 0.00 -1.26 -4.76 105.19 99.90 2dkl n GLY 4 Ca -0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 2dkl n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkl s SER 5 N -4.00 -0.21 0.07 1.61 1.04 -1.26 -5.19 113.70 105.76 2dkl s SER 5 Ca 0.00 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.75 2dkl s SER 5 Cb 0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2dkl s SER 5 CO 0.00 -0.08 0.14 -0.94 0.98 0.00 0.00 173.24 173.34 2dkl s SER 6 N 0.03 0.18 -1.31 7.02 1.04 -1.26 -5.08 113.70 114.33 2dkl s SER 6 Ca 0.06 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 2dkl s SER 6 Cb -0.05 0.29 0.13 0.00 0.10 0.00 0.00 66.02 66.50 2dkl s SER 6 CO -0.11 -0.65 1.86 0.61 0.98 0.00 0.00 173.24 175.93 2dkl n GLY 7 N 0.21 4.27 3.55 7.32 0.00 -1.26 -4.94 105.19 114.34 2dkl n GLY 7 Ca -0.16 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 2dkl n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkl s GLY 8 N 1.95 0.62 -0.19 -0.02 0.00 -1.26 -4.89 107.32 103.52 2dkl s GLY 8 Ca 0.43 -1.25 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 2dkl s GLY 8 CO -0.01 3.01 1.12 -0.29 0.00 0.00 0.00 173.10 176.93 2dkl s MET 9 N 6.23 0.42 -1.29 2.90 -2.45 -1.26 -4.99 119.30 118.86 2dkl s MET 9 Ca 0.51 0.05 -0.07 0.00 -1.25 0.00 0.00 55.69 54.93 2dkl s MET 9 Cb -0.08 0.20 0.01 0.00 1.25 0.00 0.00 34.83 36.20 2dkl s MET 9 CO 0.12 -0.14 1.12 1.63 1.05 0.00 0.00 175.02 178.80 2dkl n LYS 10 N 0.52 -7.53 -3.40 4.11 5.02 -1.26 -4.95 118.16 110.67 2dkl n LYS 10 Ca -0.06 0.81 -0.44 0.00 -2.02 0.00 0.00 58.31 56.60 2dkl n LYS 10 Cb 0.58 -5.78 -0.03 0.00 -0.02 0.00 0.00 35.03 29.79 2dkl n LYS 10 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2dkl s THR 11 N -3.32 5.43 0.63 -0.18 -4.23 -1.26 -5.05 115.64 107.66 2dkl s THR 11 Ca 0.47 -2.98 -0.16 0.00 -1.18 0.00 0.00 61.69 57.84 2dkl s THR 11 Cb -0.21 -4.33 -0.14 0.00 1.34 0.00 0.00 72.50 69.16 2dkl s THR 11 CO 0.71 -1.07 -0.36 -1.20 -0.54 0.00 0.00 174.62 172.16 2dkl n SER 12 N 3.33 -4.17 0.12 3.99 7.64 -1.26 -4.92 113.62 118.35 2dkl n SER 12 Ca 0.17 0.42 -0.05 0.00 1.01 0.00 0.00 58.87 60.42 2dkl n SER 12 Cb 0.42 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 2dkl n SER 12 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2dkl h GLY 13 N -0.36 -0.35 -0.86 0.23 0.00 -2.04 -3.46 103.07 96.22 2dkl h GLY 13 Ca -0.38 0.13 -0.44 0.00 0.00 0.00 0.00 47.33 46.64 2dkl h GLY 13 CO 0.31 -0.13 0.19 0.54 0.00 0.00 0.00 176.54 177.46 2dkl s LYS 14 N -2.80 -0.08 -0.93 4.80 3.01 -1.26 -4.97 119.74 117.51 2dkl s LYS 14 Ca -0.05 0.23 -0.14 0.00 -1.01 0.00 0.00 55.97 55.00 2dkl s LYS 14 Cb 0.00 -1.70 0.20 0.00 -1.01 0.00 0.00 37.83 35.32 2dkl s LYS 14 CO 0.15 -3.01 0.96 -1.14 0.51 0.00 0.00 175.35 172.82 2dkl s GLN 15 N -5.20 3.74 0.57 1.68 0.74 -1.26 -5.03 119.66 114.90 2dkl s GLN 15 Ca 0.67 -2.41 -0.01 0.00 0.05 0.00 0.00 55.36 53.66 2dkl s GLN 15 Cb -0.14 -4.62 0.03 0.00 1.10 0.00 0.00 33.01 29.38 2dkl s GLN 15 CO 0.56 -1.44 0.82 -0.51 -0.55 0.00 0.00 175.29 174.17 2dkl s ASP 16 N 2.45 5.26 0.01 6.67 1.01 -1.26 -5.02 116.67 125.80 2dkl s ASP 16 Ca 0.26 0.16 0.19 0.00 0.71 0.00 0.00 52.55 53.86 2dkl s ASP 16 Cb -0.08 -1.05 -0.18 0.00 1.01 0.00 0.00 42.92 42.62 2dkl s ASP 16 CO -0.08 -1.18 0.65 -0.62 0.21 0.00 0.00 175.17 174.14 2dkl n GLU 17 N -2.45 0.64 -0.17 8.23 -0.58 -1.26 -4.13 120.64 120.92 2dkl n GLU 17 Ca 0.07 0.09 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 2dkl n GLU 17 Cb 0.59 -1.70 0.01 0.00 -0.57 0.00 0.00 31.44 29.78 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dkl h ALA 18 N 1.52 0.64 -0.38 0.62 0.00 -2.01 -2.24 119.26 117.41 2dkl h ALA 18 Ca -0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2dkl h ALA 18 Cb 1.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2dkl h ALA 18 CO 0.03 0.15 0.06 0.11 0.00 0.00 0.00 179.25 179.60 2dkl h TRP 19 N 0.66 0.59 -0.26 0.00 5.08 -2.00 -2.85 115.95 117.17 2dkl h TRP 19 Ca 0.18 -0.05 -0.02 0.00 1.08 0.00 0.00 58.89 60.08 2dkl h TRP 19 Cb 0.04 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.02 2dkl h TRP 19 CO -0.02 0.53 0.07 0.82 -1.28 0.00 0.00 178.44 178.56 2dkl h ILE 20 N 0.56 1.20 -0.92 0.12 2.04 -1.60 -2.92 117.51 115.98 2dkl h ILE 20 Ca 0.13 -0.66 0.38 0.00 1.00 0.00 0.00 64.86 65.71 2dkl h ILE 20 Cb 0.26 1.15 -0.17 0.00 -0.74 0.00 0.00 36.82 37.32 2dkl h ILE 20 CO 0.00 0.21 0.49 0.80 0.00 0.00 0.00 178.15 179.65 2dkl n MET 21 N -4.73 -0.06 -0.20 2.37 1.56 -0.89 0.17 117.12 115.35 2dkl n MET 21 Ca -0.03 1.28 -0.05 0.00 -0.27 0.00 0.00 57.70 58.63 2dkl n MET 21 Cb 0.17 -2.29 0.05 0.00 2.15 0.00 0.00 33.22 33.30 2dkl n MET 21 CO 0.00 0.00 0.00 0.77 -0.73 0.00 0.00 175.97 176.01 2dkl h SER 22 N 0.00 0.61 -0.79 6.12 0.02 -1.62 -2.61 113.55 115.29 2dkl h SER 22 Ca 0.78 -0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.90 2dkl h SER 22 Cb 2.06 -0.13 -0.15 0.00 0.14 0.00 0.00 62.40 64.32 2dkl h SER 22 CO -0.72 0.43 -0.12 0.03 -1.14 0.00 0.00 176.83 175.32 2dkl h ARG 23 N 0.74 0.03 -0.00 3.45 3.08 0.16 0.89 114.38 122.72 2dkl h ARG 23 Ca 0.23 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 2dkl h ARG 23 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2dkl h ARG 23 CO -0.09 0.02 -0.25 -0.07 -1.07 0.00 0.00 179.97 178.51 2dkl h LEU 24 N 0.03 0.01 -0.12 3.04 3.38 -1.48 -2.94 115.31 117.23 2dkl h LEU 24 Ca 0.40 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2dkl h LEU 24 Cb 0.67 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dkl h LEU 24 CO -0.77 0.26 -0.02 0.40 0.09 0.00 0.00 178.44 178.40 2dkl h ILE 25 N 0.01 1.28 -0.76 1.22 1.08 0.93 -3.27 117.51 117.99 2dkl h ILE 25 Ca -0.00 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 2dkl h ILE 25 Cb 0.44 1.65 -0.10 0.00 -3.07 0.00 0.00 36.82 35.75 2dkl h ILE 25 CO 0.03 0.27 -0.51 0.50 -0.69 0.00 0.00 178.15 177.75 2dkl h LYS 26 N -0.07 -0.07 -0.93 2.37 3.64 -0.94 0.26 116.57 120.82 2dkl h LYS 26 Ca 0.03 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.58 2dkl h LYS 26 Cb 0.42 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.09 2dkl h LYS 26 CO 0.01 -0.05 -0.31 1.96 -2.27 0.00 0.00 179.45 178.79 2dkl h GLN 27 N -0.08 -0.02 0.04 1.90 1.08 -1.63 0.24 115.11 116.64 2dkl h GLN 27 Ca 0.12 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2dkl h GLN 27 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2dkl h GLN 27 CO -0.75 -0.01 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.03 2dkl h LEU 28 N -0.02 -0.04 -2.43 1.46 4.07 -0.89 -2.14 115.31 115.32 2dkl h LEU 28 Ca 0.39 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 58.21 2dkl h LEU 28 Cb 0.64 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 2dkl h LEU 28 CO -0.95 0.12 0.18 0.71 -1.08 0.00 0.00 178.44 177.42 2dkl h THR 29 N -0.20 0.05 0.00 0.22 1.35 0.20 0.49 112.91 115.03 2dkl h THR 29 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2dkl h THR 29 Cb 0.18 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2dkl h THR 29 CO 0.01 0.00 -0.69 0.44 -0.25 0.00 0.00 175.52 175.03 2dkl h ASP 30 N 0.00 0.00 0.00 5.36 5.19 -0.01 -3.40 116.42 123.56 2dkl h ASP 30 Ca 0.01 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2dkl h ASP 30 Cb 0.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2dkl h ASP 30 CO -0.00 0.11 -0.14 0.24 -3.12 0.00 0.00 179.24 176.33 2dkl h MET 31 N 0.00 0.00 0.00 3.56 2.86 0.40 -3.44 114.93 118.31 2dkl h MET 31 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2dkl h MET 31 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2dkl h MET 31 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2dkl n GLY 32 N 1.77 0.00 2.94 8.32 0.00 -0.97 -4.93 105.19 112.33 2dkl n GLY 32 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.03 0.85 1.61 0.08 -1.22 -5.07 117.98 114.26 2dkl s PHE 33 Ca 0.00 -0.05 -0.11 0.00 0.12 0.00 0.00 56.93 56.89 2dkl s PHE 33 Cb 0.00 -0.04 0.10 0.00 -0.57 0.00 0.00 43.02 42.52 2dkl s PHE 33 CO 0.00 -0.08 1.09 -1.25 -0.10 0.00 0.00 175.22 174.88 2dkl s PRO 34 N -0.42 1.63 0.24 0.24 0.04 -1.26 -3.78 135.00 131.69 2dkl s PRO 34 Ca -0.05 0.95 0.04 0.00 0.04 0.00 0.00 61.00 61.99 2dkl s PRO 34 Cb -0.03 -1.84 0.25 0.00 0.04 0.00 0.00 34.50 32.92 2dkl s PRO 34 CO -0.00 -2.02 1.56 0.07 0.04 0.00 0.00 177.00 176.65 2dkl h ARG 35 N -1.39 0.24 -0.44 4.56 0.11 -1.98 -3.01 114.38 112.46 2dkl h ARG 35 Ca -0.47 -0.16 0.04 0.00 0.10 0.00 0.00 59.98 59.48 2dkl h ARG 35 Cb 1.26 0.02 -0.05 0.00 1.11 0.00 0.00 29.97 32.31 2dkl h ARG 35 CO 0.53 0.77 -0.26 0.39 0.10 0.00 0.00 179.97 181.50 2dkl n GLU 36 N -3.87 -0.19 0.01 0.08 1.02 -1.26 -0.75 120.64 115.67 2dkl n GLU 36 Ca -0.02 1.22 -0.13 0.00 -0.02 0.00 0.00 57.16 58.20 2dkl n GLU 36 Cb 0.62 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 2dkl n GLU 36 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2dkl h PRO 37 N 0.00 -0.06 -1.00 3.49 0.13 -1.98 -2.54 132.00 130.04 2dkl h PRO 37 Ca 0.07 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.61 2dkl h PRO 37 Cb 0.18 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 31.15 2dkl h PRO 37 CO -0.42 0.40 0.53 0.00 -0.23 0.00 0.00 178.00 178.28 2dkl h ALA 38 N 0.35 2.12 0.05 -0.56 0.00 -1.34 0.20 119.26 120.09 2dkl h ALA 38 Ca -0.01 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2dkl h ALA 38 Cb 0.49 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dkl h ALA 38 CO 0.01 -0.91 -0.02 1.49 0.00 0.00 0.00 179.25 179.81 2dkl h GLU 39 N 0.03 -0.06 -0.36 0.00 4.81 -0.94 -3.00 114.58 115.05 2dkl h GLU 39 Ca 0.83 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 60.12 2dkl h GLU 39 Cb 2.17 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 31.48 2dkl h GLU 39 CO -0.76 0.32 -0.52 0.93 -0.73 0.00 0.00 179.01 178.25 2dkl h GLU 40 N -0.99 -0.39 0.14 1.92 3.07 -0.61 -1.97 114.58 115.74 2dkl h GLU 40 Ca -0.01 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2dkl h GLU 40 Cb 0.41 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 2dkl h GLU 40 CO 0.01 -0.26 -0.35 0.00 -1.40 0.00 0.00 179.01 177.00 2dkl h ALA 41 N 0.06 -0.89 -0.75 3.43 0.00 -0.85 -2.81 119.26 117.44 2dkl h ALA 41 Ca 0.09 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2dkl h ALA 41 Cb 0.61 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2dkl h ALA 41 CO -0.57 -0.96 -0.44 1.28 0.00 0.00 0.00 179.25 178.56 2dkl n LEU 42 N -4.47 -0.79 -0.29 0.00 4.77 -1.02 0.12 117.00 115.32 2dkl n LEU 42 Ca -0.06 1.33 0.07 0.00 -0.03 0.00 0.00 56.01 57.32 2dkl n LEU 42 Cb 0.28 -0.17 0.18 0.00 -2.33 0.00 0.00 43.42 41.38 2dkl n LEU 42 CO 0.12 -1.08 0.78 0.11 -1.33 0.00 0.00 177.39 175.98 2dkl h LYS 43 N 0.00 0.05 0.00 3.23 1.57 -1.12 1.08 116.57 121.38 2dkl h LYS 43 Ca 0.12 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2dkl h LYS 43 Cb 0.31 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2dkl h LYS 43 CO -0.70 0.03 -0.08 0.77 -0.57 0.00 0.00 179.45 178.90 2dkl h SER 44 N 0.05 0.00 -0.72 0.86 0.02 0.11 -3.17 113.55 110.70 2dkl h SER 44 Ca 0.46 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 61.03 2dkl h SER 44 Cb 0.83 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.14 2dkl h SER 44 CO -0.80 0.08 0.49 0.59 -1.14 0.00 0.00 176.83 176.05 2dkl n ASN 45 N -3.13 3.88 -3.79 3.07 3.02 0.35 -4.87 115.26 113.80 2dkl n ASN 45 Ca 0.03 -3.18 -0.28 0.00 -0.03 0.00 0.00 54.58 51.12 2dkl n ASN 45 Cb 0.51 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 38.87 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 -0.64 -2.07 -2.75 6.41 4.13 -0.76 0.11 115.26 119.69 2dkl n ASN 46 Ca 0.43 -0.63 -0.16 0.00 1.68 0.00 0.00 54.58 55.91 2dkl n ASN 46 Cb 1.28 -1.80 0.06 0.00 -1.54 0.00 0.00 39.78 37.78 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 -3.63 -5.44 -4.30 3.52 2.81 -0.09 -5.01 117.12 104.97 2dkl n MET 47 Ca 0.06 0.61 -0.35 0.00 -1.81 0.00 0.00 57.70 56.21 2dkl n MET 47 Cb 0.48 -4.95 -0.10 0.00 -0.71 0.00 0.00 33.22 27.95 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 -3.49 5.28 -0.07 7.83 -0.87 0.31 -5.04 114.94 118.89 2dkl s ASN 48 Ca 0.28 0.11 -0.01 0.00 -1.57 0.00 0.00 52.86 51.67 2dkl s ASN 48 Cb -0.12 -1.62 -0.00 0.00 -0.02 0.00 0.00 41.25 39.48 2dkl s ASN 48 CO 0.53 0.32 -0.03 0.25 -2.57 0.00 0.00 177.10 175.60 2dkl h LEU 49 N 5.59 0.00 -0.76 0.60 5.85 -1.95 -2.64 115.31 122.00 2dkl h LEU 49 Ca -0.46 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.43 2dkl h LEU 49 Cb 1.19 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.10 2dkl h LEU 49 CO 0.58 0.35 0.18 0.44 -0.34 0.00 0.00 178.44 179.65 2dkl h ASP 50 N -0.61 0.00 -0.44 1.25 3.32 -1.99 0.30 116.42 118.25 2dkl h ASP 50 Ca 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2dkl h ASP 50 Cb 0.08 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2dkl h ASP 50 CO 0.00 -0.06 -0.00 1.56 -1.72 0.00 0.00 179.24 179.02 2dkl h GLN 51 N 0.26 0.79 0.85 3.56 1.08 -1.94 -2.81 115.11 116.89 2dkl h GLN 51 Ca 0.44 -0.25 -0.04 0.00 -1.45 0.00 0.00 58.65 57.34 2dkl h GLN 51 Cb 0.77 -0.07 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2dkl h GLN 51 CO -0.54 0.85 -0.41 0.00 -0.95 0.00 0.00 178.83 177.79 2dkl h ALA 52 N 0.91 -1.14 -0.69 3.87 0.00 -0.60 -1.71 119.26 119.90 2dkl h ALA 52 Ca 0.13 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2dkl h ALA 52 Cb 0.50 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2dkl h ALA 52 CO 0.02 -1.07 -0.56 0.52 0.00 0.00 0.00 179.25 178.16 2dkl h MET 53 N -1.27 -0.20 -0.94 0.00 2.86 -0.56 0.38 114.93 115.20 2dkl h MET 53 Ca -0.12 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.68 2dkl h MET 53 Cb 0.88 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.50 2dkl h MET 53 CO 0.19 -0.13 0.60 1.03 1.06 0.00 0.00 176.91 179.66 2dkl h SER 54 N -0.21 0.75 0.39 1.22 0.87 -1.53 0.38 113.55 115.43 2dkl h SER 54 Ca 0.12 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 2dkl h SER 54 Cb 0.51 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2dkl h SER 54 CO -0.76 0.37 -0.08 0.00 -0.53 0.00 0.00 176.83 175.83 2dkl h ALA 55 N 1.58 1.21 0.00 6.23 0.00 0.65 -0.90 119.26 128.03 2dkl h ALA 55 Ca 0.48 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 55.13 2dkl h ALA 55 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2dkl h ALA 55 CO -0.25 0.10 -1.19 1.28 0.00 0.00 0.00 179.25 179.19 2dkl n LEU 56 N -3.48 1.86 0.08 0.00 4.77 0.10 -4.40 117.00 115.93 2dkl n LEU 56 Ca -0.02 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.31 2dkl n LEU 56 Cb 0.22 -0.91 -0.05 0.00 -2.33 0.00 0.00 43.42 40.35 2dkl n LEU 56 CO 0.28 0.07 0.73 -0.07 -1.33 0.00 0.00 177.39 177.07 2dkl h LEU 57 N -1.00 -0.59 -0.94 2.23 3.38 -0.71 -1.97 115.31 115.71 2dkl h LEU 57 Ca -0.28 0.08 0.34 0.00 0.09 0.00 0.00 57.88 58.11 2dkl h LEU 57 Cb 1.10 0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.97 2dkl h LEU 57 CO -0.17 -0.28 0.58 -1.84 0.09 0.00 0.00 178.44 176.82 2dkl n GLU 58 N -5.33 -0.03 -0.05 1.13 -0.00 -0.35 0.16 120.64 116.17 2dkl n GLU 58 Ca -0.06 0.97 -0.08 0.00 -0.00 0.00 0.00 57.16 57.99 2dkl n GLU 58 Cb 0.25 -1.85 -0.02 0.00 -0.00 0.00 0.00 31.44 29.82 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 -0.04 -5.80 3.44 1.79 -1.56 -3.40 116.57 111.01 2dkl h LYS 59 Ca 0.65 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 58.55 2dkl h LYS 59 Cb 1.98 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 32.56 2dkl h LYS 59 CO -0.42 -0.03 -0.10 0.15 -1.08 0.00 0.00 179.45 177.97 2dkl s LYS 60 N -6.19 4.35 -0.32 3.15 3.01 0.44 -5.05 119.74 119.11 2dkl s LYS 60 Ca -0.14 0.52 -0.11 0.00 -1.01 0.00 0.00 55.97 55.24 2dkl s LYS 60 Cb 0.11 -3.43 -0.02 0.00 -1.01 0.00 0.00 37.83 33.49 2dkl s LYS 60 CO 0.69 0.16 0.19 0.54 0.51 0.00 0.00 175.35 177.44 2dkl s VAL 61 N 0.58 4.93 0.31 3.17 0.11 -1.26 -4.91 120.40 123.32 2dkl s VAL 61 Ca 0.28 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2dkl s VAL 61 Cb -0.16 -3.50 -0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2dkl s VAL 61 CO 0.12 0.06 0.13 -1.81 -3.33 0.00 0.00 175.10 170.27 2dkl s ASP 62 N 1.67 1.71 -0.15 3.54 1.11 -1.26 -5.08 116.67 118.21 2dkl s ASP 62 Ca 0.05 -1.52 -0.22 0.00 0.18 0.00 0.00 52.55 51.05 2dkl s ASP 62 Cb -0.17 0.31 -0.24 0.00 1.07 0.00 0.00 42.92 43.88 2dkl s ASP 62 CO 0.08 -0.83 0.51 0.58 1.18 0.00 0.00 175.17 176.69 2dkl h VAL 63 N 2.18 1.23 -3.08 -1.27 2.07 -2.06 -3.46 116.25 111.86 2dkl h VAL 63 Ca -0.36 -2.31 -0.60 0.00 0.82 0.00 0.00 66.70 64.26 2dkl h VAL 63 Cb 1.25 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.73 2dkl h VAL 63 CO 0.56 0.54 -0.20 -1.81 0.02 0.00 0.00 177.57 176.68 2dkl s ASP 64 N -6.73 6.77 0.13 0.57 1.01 -1.26 -5.09 116.67 112.07 2dkl s ASP 64 Ca -0.23 0.93 -0.04 0.00 0.71 0.00 0.00 52.55 53.92 2dkl s ASP 64 Cb 0.03 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 2dkl s ASP 64 CO 0.68 0.25 0.36 -0.54 0.21 0.00 0.00 175.17 176.14 2dkl s LYS 65 N -1.43 3.60 0.50 8.23 3.01 -1.26 -5.11 119.74 127.29 2dkl s LYS 65 Ca 0.28 -0.12 0.04 0.00 -1.01 0.00 0.00 55.97 55.16 2dkl s LYS 65 Cb -0.16 -2.87 0.03 0.00 -1.01 0.00 0.00 37.83 33.82 2dkl s LYS 65 CO 0.16 0.48 0.70 1.03 0.51 0.00 0.00 175.35 178.22 2dkl s ARG 66 N -2.64 2.64 0.22 1.68 0.52 -1.26 -5.13 118.95 114.98 2dkl s ARG 66 Ca 0.40 -0.98 -0.14 0.00 -0.52 0.00 0.00 55.73 54.49 2dkl s ARG 66 Cb -0.12 -2.60 0.01 0.00 0.52 0.00 0.00 34.95 32.76 2dkl s ARG 66 CO 0.25 -0.55 0.48 0.20 0.02 0.00 0.00 175.30 175.70 2dkl s GLY 67 N -4.40 0.26 0.80 -3.53 0.00 -1.26 -5.16 107.32 94.03 2dkl s GLY 67 Ca 0.57 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 2dkl s GLY 67 CO 0.36 -0.49 1.21 1.08 0.00 0.00 0.00 173.10 175.26 2dkl s LEU 68 N -2.95 3.17 -0.25 0.66 1.43 -1.26 -4.31 118.68 115.16 2dkl s LEU 68 Ca 0.16 2.37 -0.07 0.00 -1.03 0.00 0.00 54.13 55.57 2dkl s LEU 68 Cb -0.01 -4.59 0.01 0.00 0.03 0.00 0.00 46.19 41.63 2dkl s LEU 68 CO 0.03 -2.61 0.16 0.61 0.23 0.00 0.00 176.35 174.77 2dkl n GLY 69 N 0.48 -2.15 3.81 -3.19 0.00 -1.26 -4.95 105.19 97.93 2dkl n GLY 69 Ca 0.14 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.34 2dkl n GLY 69 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkl s VAL 70 N -1.59 4.43 0.13 1.61 1.01 -1.26 -5.07 120.40 119.66 2dkl s VAL 70 Ca 0.08 1.45 -0.25 0.00 0.00 0.00 0.00 61.98 63.26 2dkl s VAL 70 Cb -0.02 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.64 2dkl s VAL 70 CO 0.57 -0.03 0.76 0.28 0.00 0.00 0.00 175.10 176.68 2dkl s THR 71 N -1.81 0.00 0.10 3.92 -1.32 -1.26 -5.10 115.64 110.17 2dkl s THR 71 Ca 0.52 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2dkl s THR 71 Cb -0.14 -1.33 0.00 0.00 -1.51 0.00 0.00 72.50 69.52 2dkl s THR 71 CO 0.19 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.07 2dkl n ASP 72 N -0.37 0.82 -3.66 8.08 8.00 -1.26 -5.08 116.55 123.08 2dkl n ASP 72 Ca -0.11 0.15 -0.11 0.00 0.71 0.00 0.00 54.79 55.43 2dkl n ASP 72 Cb 0.62 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 41.39 2dkl n ASP 72 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2dkl s HIS 73 N -2.00 -0.61 -1.08 1.24 3.76 -1.26 -5.08 115.29 110.25 2dkl s HIS 73 Ca 0.00 1.26 -0.22 0.00 -0.15 0.00 0.00 55.06 55.94 2dkl s HIS 73 Cb 0.00 0.15 -0.00 0.00 1.11 0.00 0.00 32.58 33.84 2dkl s HIS 73 CO 0.00 -0.41 1.75 1.21 -0.85 0.00 0.00 174.74 176.44 2dkl s ASN 74 N 2.41 5.88 0.86 1.40 2.47 -1.26 -4.87 114.94 121.84 2dkl s ASN 74 Ca -0.01 -1.49 0.00 0.00 0.42 0.00 0.00 52.86 51.78 2dkl s ASN 74 Cb -0.12 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 2dkl s ASN 74 CO -0.11 -2.12 0.00 0.61 -3.72 0.00 0.00 177.10 171.77 2dkl n GLY 75 N 6.34 0.65 2.93 1.21 0.00 -1.26 -4.84 105.19 110.21 2dkl n GLY 75 Ca 0.41 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2dkl n GLY 75 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dkl s MET 76 N 0.00 0.34 -0.97 1.61 1.75 -1.26 -5.09 119.30 115.68 2dkl s MET 76 Ca 0.00 -0.13 -0.15 0.00 -1.25 0.00 0.00 55.69 54.16 2dkl s MET 76 Cb 0.00 -0.35 0.19 0.00 2.84 0.00 0.00 34.83 37.51 2dkl s MET 76 CO 0.00 0.07 1.05 0.00 -0.65 0.00 0.00 175.02 175.49 2dkl s ALA 77 N 0.01 3.93 0.28 4.11 0.00 -1.26 -4.89 121.76 123.94 2dkl s ALA 77 Ca 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 51.96 48.73 2dkl s ALA 77 Cb -0.03 -3.80 0.64 0.00 0.00 0.00 0.00 23.12 19.93 2dkl s ALA 77 CO -0.00 -2.58 1.62 0.00 0.00 0.00 0.00 175.76 174.80 2dkl h ALA 78 N 7.86 1.09 -6.19 0.00 0.00 -2.02 -3.45 119.26 116.55 2dkl h ALA 78 Ca 0.17 0.26 -0.45 0.00 0.00 0.00 0.00 54.91 54.89 2dkl h ALA 78 Cb 0.98 0.43 0.01 0.00 0.00 0.00 0.00 17.79 19.21 2dkl h ALA 78 CO 0.99 -0.49 -0.76 1.17 0.00 0.00 0.00 179.25 180.17 2dkl n LYS 79 N -5.34 -5.88 -3.32 0.00 3.00 -1.26 -4.92 118.16 100.45 2dkl n LYS 79 Ca 0.19 0.64 -0.47 0.00 -0.00 0.00 0.00 58.31 58.68 2dkl n LYS 79 Cb 0.64 -5.52 -0.03 0.00 0.00 0.00 0.00 35.03 30.12 2dkl n LYS 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dkl s SER 80 N -3.48 6.62 -0.61 3.14 0.15 -1.26 -4.97 113.70 113.28 2dkl s SER 80 Ca 0.55 -2.45 0.04 0.00 0.70 0.00 0.00 55.95 54.79 2dkl s SER 80 Cb -0.27 -2.21 0.16 0.00 -1.71 0.00 0.00 66.02 61.99 2dkl s SER 80 CO 0.81 -0.66 0.42 -0.83 1.20 0.00 0.00 173.24 174.18 2dkl s GLY 81 N 2.55 2.49 0.37 9.45 0.00 -1.26 -5.10 107.32 115.82 2dkl s GLY 81 Ca 0.14 -3.44 -0.27 0.00 0.00 0.00 0.00 44.72 41.16 2dkl s GLY 81 CO -0.06 1.29 1.20 2.56 0.00 0.00 0.00 173.10 178.09 2dkl s PRO 82 N -0.92 4.20 0.26 2.90 0.04 -1.26 -5.05 135.00 135.17 2dkl s PRO 82 Ca 0.25 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.25 2dkl s PRO 82 Cb -0.07 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.57 2dkl s PRO 82 CO -0.14 -0.23 0.10 -1.12 0.04 0.00 0.00 177.00 175.65 2dkl s SER 83 N -0.91 1.26 0.16 6.66 0.01 -1.26 -5.06 113.70 114.56 2dkl s SER 83 Ca 0.53 -1.39 -0.16 0.00 1.31 0.00 0.00 55.95 56.25 2dkl s SER 83 Cb -0.34 0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.09 2dkl s SER 83 CO 0.43 -0.73 1.80 0.28 0.41 0.00 0.00 173.24 175.43 2dkl h SER 84 N 2.37 0.38 0.00 2.44 0.02 -2.09 -3.58 113.55 113.08 2dkl h SER 84 Ca -0.38 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2dkl h SER 84 Cb 1.25 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2dkl h SER 84 CO 0.61 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.18