#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 1.75 -0.02 1.61 0.15 -1.26 -5.15 113.70 110.78 2dkl s SER 2 Ca 0.00 -0.53 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 2dkl s SER 2 Cb 0.00 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2dkl s SER 2 CO 0.00 0.00 0.18 -0.44 1.20 0.00 0.00 173.24 174.18 2dkl s SER 3 N -1.39 -0.06 -0.35 5.45 0.01 -1.26 -5.08 113.70 111.02 2dkl s SER 3 Ca 0.01 -0.02 0.15 0.00 1.31 0.00 0.00 55.95 57.40 2dkl s SER 3 Cb -0.09 0.27 0.44 0.00 0.21 0.00 0.00 66.02 66.85 2dkl s SER 3 CO 0.02 -0.32 1.07 0.61 0.41 0.00 0.00 173.24 175.03 2dkl n GLY 4 N 1.77 1.49 3.22 3.44 0.00 -1.26 -5.10 105.19 108.75 2dkl n GLY 4 Ca -0.20 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.51 -0.39 -0.17 1.61 0.01 -1.26 -5.06 113.70 105.94 2dkl s SER 5 Ca 0.26 0.73 -0.17 0.00 1.31 0.00 0.00 55.95 58.07 2dkl s SER 5 Cb 0.44 0.68 -0.22 0.00 0.21 0.00 0.00 66.02 67.12 2dkl s SER 5 CO -0.00 -0.15 0.32 -1.28 0.41 0.00 0.00 173.24 172.54 2dkl h SER 6 N 6.26 0.17 0.00 2.44 0.87 -2.05 -3.51 113.55 117.73 2dkl h SER 6 Ca -0.31 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.55 2dkl h SER 6 Cb 1.18 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2dkl h SER 6 CO 0.30 1.60 0.00 0.61 -0.53 0.00 0.00 176.83 178.81 2dkl n GLY 7 N 1.64 -1.22 0.00 5.77 0.00 -1.26 -5.07 105.19 105.05 2dkl n GLY 7 Ca -0.31 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 0.00 3.20 -0.02 0.00 -1.26 -5.18 105.19 101.94 2dkl n GLY 8 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.93 -0.35 1.61 1.00 -1.26 -5.07 119.30 116.16 2dkl s MET 9 Ca 0.00 -1.25 0.06 0.00 0.00 0.00 0.00 55.69 54.50 2dkl s MET 9 Cb 0.00 0.29 0.45 0.00 0.00 0.00 0.00 34.83 35.57 2dkl s MET 9 CO 0.00 -0.28 1.26 0.36 0.00 0.00 0.00 175.02 176.36 2dkl n LYS 10 N -0.09 3.51 -4.39 2.03 0.00 -1.26 -5.03 118.16 112.93 2dkl n LYS 10 Ca -0.09 -4.14 -0.23 0.00 -0.00 0.00 0.00 58.31 53.86 2dkl n LYS 10 Cb 0.63 -2.28 -0.11 0.00 -0.00 0.00 0.00 35.03 33.27 2dkl n LYS 10 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2dkl s THR 11 N -4.76 2.07 -0.22 0.58 -4.23 -1.26 -5.15 115.64 102.67 2dkl s THR 11 Ca 0.52 -2.14 -0.27 0.00 -1.18 0.00 0.00 61.69 58.62 2dkl s THR 11 Cb 0.42 -2.06 0.11 0.00 1.34 0.00 0.00 72.50 72.31 2dkl s THR 11 CO -0.00 -0.37 0.94 -0.55 -0.54 0.00 0.00 174.62 174.10 2dkl s SER 12 N -3.04 -0.50 0.00 3.99 0.15 -1.26 -5.02 113.70 108.02 2dkl s SER 12 Ca 0.22 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2dkl s SER 12 Cb -0.05 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2dkl s SER 12 CO 0.09 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.88 2dkl n GLY 13 N 1.75 2.27 3.82 9.45 0.00 -1.26 -4.85 105.19 116.37 2dkl n GLY 13 Ca -0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 2dkl n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkl s LYS 14 N 0.00 2.84 0.24 1.61 1.02 -1.26 -5.13 119.74 119.05 2dkl s LYS 14 Ca 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.90 2dkl s LYS 14 Cb 0.00 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 2dkl s LYS 14 CO 0.00 0.32 0.36 1.14 -0.92 0.00 0.00 175.35 176.24 2dkl s GLN 15 N -3.88 3.44 -0.12 1.68 -2.07 -1.26 -4.98 119.66 112.47 2dkl s GLN 15 Ca 0.35 -0.75 -0.02 0.00 -1.82 0.00 0.00 55.36 53.12 2dkl s GLN 15 Cb -0.07 -2.89 0.04 0.00 -1.09 0.00 0.00 33.01 28.99 2dkl s GLN 15 CO 0.25 0.43 -0.00 -0.51 -1.32 0.00 0.00 175.29 174.14 2dkl s ASP 16 N -3.94 2.13 0.45 12.60 1.01 -1.26 -5.01 116.67 122.66 2dkl s ASP 16 Ca 0.34 -0.37 0.31 0.00 0.71 0.00 0.00 52.55 53.54 2dkl s ASP 16 Cb -0.09 -0.57 1.42 0.00 1.01 0.00 0.00 42.92 44.69 2dkl s ASP 16 CO 0.29 -0.22 1.66 -0.33 0.21 0.00 0.00 175.17 176.78 2dkl h GLU 17 N 8.27 0.11 -0.35 8.23 5.08 -1.99 -0.51 114.58 133.42 2dkl h GLU 17 Ca -0.20 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2dkl h GLU 17 Cb 1.12 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.27 2dkl h GLU 17 CO 0.31 0.08 -0.56 0.00 -1.00 0.00 0.00 179.01 177.84 2dkl h ALA 18 N 1.52 -0.81 -0.33 3.43 0.00 -2.01 0.29 119.26 121.35 2dkl h ALA 18 Ca 0.77 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.66 2dkl h ALA 18 Cb 2.51 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 21.38 2dkl h ALA 18 CO -0.32 -1.06 0.17 0.11 0.00 0.00 0.00 179.25 178.14 2dkl h TRP 19 N -0.44 0.44 -0.10 0.00 5.08 -1.53 -2.68 115.95 116.72 2dkl h TRP 19 Ca 0.06 -0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.03 2dkl h TRP 19 Cb 0.61 -0.14 -0.00 0.00 -3.00 0.00 0.00 29.16 26.62 2dkl h TRP 19 CO -0.70 0.33 0.04 0.82 -1.28 0.00 0.00 178.44 177.65 2dkl h ILE 20 N 0.46 1.13 -0.74 0.12 2.04 -0.70 -2.96 117.51 116.85 2dkl h ILE 20 Ca 0.12 -0.39 0.24 0.00 1.00 0.00 0.00 64.86 65.83 2dkl h ILE 20 Cb 0.04 1.21 -0.14 0.00 -0.74 0.00 0.00 36.82 37.19 2dkl h ILE 20 CO -0.02 0.12 0.13 0.80 0.00 0.00 0.00 178.15 179.18 2dkl n MET 21 N -4.93 -0.05 -0.09 2.37 1.56 0.78 0.18 117.12 116.93 2dkl n MET 21 Ca -0.06 1.09 -0.06 0.00 -0.27 0.00 0.00 57.70 58.40 2dkl n MET 21 Cb 0.10 -1.79 0.01 0.00 2.15 0.00 0.00 33.22 33.69 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 -0.09 -0.90 6.12 0.87 -1.64 -2.52 113.55 115.39 2dkl h SER 22 Ca 0.50 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 61.28 2dkl h SER 22 Cb 1.15 0.12 -0.15 0.00 -0.44 0.00 0.00 62.40 63.08 2dkl h SER 22 CO -0.66 -0.01 -0.33 0.54 -0.53 0.00 0.00 176.83 175.84 2dkl n ARG 23 N -5.15 -0.19 0.08 2.24 1.74 0.47 0.23 116.66 116.08 2dkl n ARG 23 Ca 0.01 1.39 0.02 0.00 -0.77 0.00 0.00 57.85 58.50 2dkl n ARG 23 Cb 0.16 -2.06 0.38 0.00 -1.02 0.00 0.00 32.46 29.92 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 0.31 -0.30 0.55 3.38 -1.49 -2.74 115.31 115.01 2dkl h LEU 24 Ca 0.33 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2dkl h LEU 24 Cb 0.56 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dkl h LEU 24 CO -0.90 0.40 -0.22 0.40 0.09 0.00 0.00 178.44 178.22 2dkl h ILE 25 N 0.32 1.30 -0.63 1.22 1.08 0.30 -3.25 117.51 117.85 2dkl h ILE 25 Ca 0.07 -1.36 0.10 0.00 -0.39 0.00 0.00 64.86 63.28 2dkl h ILE 25 Cb 0.30 1.52 -0.11 0.00 -3.07 0.00 0.00 36.82 35.45 2dkl h ILE 25 CO 0.01 0.43 -0.40 0.50 -0.69 0.00 0.00 178.15 178.01 2dkl h LYS 26 N 0.42 -0.17 -0.56 2.37 1.63 -0.09 0.30 116.57 120.46 2dkl h LYS 26 Ca 0.06 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 2dkl h LYS 26 Cb 0.77 0.04 -0.11 0.00 -0.60 0.00 0.00 32.23 32.32 2dkl h LYS 26 CO 0.06 -0.11 -0.23 1.96 -3.45 0.00 0.00 179.45 177.67 2dkl h GLN 27 N -0.18 -0.09 0.80 1.90 1.08 -1.59 0.23 115.11 117.26 2dkl h GLN 27 Ca 0.22 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.38 2dkl h GLN 27 Cb 0.56 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.02 2dkl h GLN 27 CO -0.72 -0.06 -0.38 -0.07 -0.95 0.00 0.00 178.83 176.65 2dkl h LEU 28 N -0.09 -0.91 -1.59 1.46 4.07 -1.10 -2.61 115.31 114.54 2dkl h LEU 28 Ca 0.26 0.02 0.24 0.00 0.08 0.00 0.00 57.88 58.48 2dkl h LEU 28 Cb 0.50 0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 2dkl h LEU 28 CO -0.63 -0.57 0.87 0.71 -1.08 0.00 0.00 178.44 177.74 2dkl h THR 29 N -1.22 0.19 0.00 0.22 1.35 -0.05 1.15 112.91 114.55 2dkl h THR 29 Ca -0.11 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.54 2dkl h THR 29 Cb 0.83 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2dkl h THR 29 CO 0.18 0.00 -0.92 0.44 -0.25 0.00 0.00 175.52 174.97 2dkl h ASP 30 N 0.00 0.41 0.25 5.36 3.32 -0.59 -3.36 116.42 121.81 2dkl h ASP 30 Ca 0.40 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2dkl h ASP 30 Cb 2.13 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 41.56 2dkl h ASP 30 CO -0.00 1.14 -0.12 0.24 -1.72 0.00 0.00 179.24 178.77 2dkl h MET 31 N 0.18 -0.33 0.00 3.56 2.86 0.16 -3.48 114.93 117.89 2dkl h MET 31 Ca -0.06 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dkl h MET 31 Cb 1.55 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2dkl h MET 31 CO 0.15 -0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.31 2dkl n GLY 32 N -0.12 0.00 3.04 8.32 0.00 -1.05 -5.09 105.19 110.29 2dkl n GLY 32 Ca -0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.78 0.79 1.61 0.08 -1.24 -5.06 117.98 114.95 2dkl s PHE 33 Ca 0.00 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 2dkl s PHE 33 Cb 0.00 -0.48 0.07 0.00 -0.57 0.00 0.00 43.02 42.03 2dkl s PHE 33 CO 0.00 -0.02 1.09 -1.25 -0.10 0.00 0.00 175.22 174.94 2dkl s PRO 34 N -0.70 2.10 0.30 0.24 0.04 -1.26 -3.70 135.00 132.01 2dkl s PRO 34 Ca -0.00 1.11 0.12 0.00 0.04 0.00 0.00 61.00 62.27 2dkl s PRO 34 Cb -0.06 -1.88 0.46 0.00 0.04 0.00 0.00 34.50 33.06 2dkl s PRO 34 CO 0.00 -1.74 1.66 0.07 0.04 0.00 0.00 177.00 177.04 2dkl h ARG 35 N -1.20 0.00 -0.41 4.56 0.11 -1.98 -3.05 114.38 112.42 2dkl h ARG 35 Ca -0.44 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 0.52 0.55 -0.30 0.93 0.10 0.00 0.00 179.97 181.77 2dkl h GLU 36 N 0.00 -0.07 0.05 0.08 5.08 -2.00 0.73 114.58 118.45 2dkl h GLU 36 Ca -0.01 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dkl h GLU 36 Cb 0.99 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2dkl h GLU 36 CO 0.07 -0.05 -0.02 -1.00 -1.00 0.00 0.00 179.01 177.01 2dkl h PRO 37 N -0.08 -0.07 -1.23 2.33 0.13 -1.97 -2.83 132.00 128.29 2dkl h PRO 37 Ca 0.07 0.00 0.40 0.00 -0.87 0.00 0.00 66.00 65.60 2dkl h PRO 37 Cb 0.25 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.26 2dkl h PRO 37 CO -0.42 0.40 0.77 0.00 -0.23 0.00 0.00 178.00 178.51 2dkl h ALA 38 N 0.34 2.54 0.17 -0.56 0.00 -1.39 0.41 119.26 120.77 2dkl h ALA 38 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2dkl h ALA 38 Cb 0.49 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dkl h ALA 38 CO 0.01 -1.16 -0.08 1.49 0.00 0.00 0.00 179.25 179.51 2dkl h GLU 39 N 0.14 -0.21 0.09 0.00 4.81 -0.83 -2.99 114.58 115.58 2dkl h GLU 39 Ca 0.79 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 60.06 2dkl h GLU 39 Cb 2.33 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 31.71 2dkl h GLU 39 CO -0.46 0.01 -0.38 0.93 -0.73 0.00 0.00 179.01 178.38 2dkl h GLU 40 N -1.02 -0.58 -0.08 1.92 4.39 -0.87 -2.60 114.58 115.74 2dkl h GLU 40 Ca -0.02 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.73 2dkl h GLU 40 Cb 0.33 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2dkl h GLU 40 CO 0.04 -0.38 -0.18 0.00 -1.16 0.00 0.00 179.01 177.32 2dkl h ALA 41 N -0.04 -0.53 -0.78 3.43 0.00 -0.42 -2.17 119.26 118.75 2dkl h ALA 41 Ca 0.03 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2dkl h ALA 41 Cb 0.64 0.76 -0.12 0.00 0.00 0.00 0.00 17.79 19.08 2dkl h ALA 41 CO -0.24 -0.60 -0.34 1.28 0.00 0.00 0.00 179.25 179.34 2dkl n LEU 42 N -3.52 -0.59 -0.31 0.00 4.77 -1.13 0.20 117.00 116.42 2dkl n LEU 42 Ca -0.02 1.36 0.15 0.00 -0.03 0.00 0.00 56.01 57.47 2dkl n LEU 42 Cb 0.12 -0.28 0.33 0.00 -2.33 0.00 0.00 43.42 41.26 2dkl n LEU 42 CO 0.02 -1.19 1.06 0.11 -1.33 0.00 0.00 177.39 176.05 2dkl h LYS 43 N 0.00 0.38 0.00 3.23 1.57 -1.00 0.45 116.57 121.20 2dkl h LYS 43 Ca 0.23 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 2dkl h LYS 43 Cb 0.43 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2dkl h LYS 43 CO -0.76 0.25 -0.79 1.03 -0.57 0.00 0.00 179.45 178.61 2dkl h SER 44 N 0.39 0.00 -0.40 0.86 0.87 0.27 -3.24 113.55 112.30 2dkl h SER 44 Ca 0.59 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.96 2dkl h SER 44 Cb 1.15 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.00 2dkl h SER 44 CO -0.54 0.73 0.24 0.59 -0.53 0.00 0.00 176.83 177.32 2dkl n ASN 45 N -3.26 3.28 -4.23 6.23 3.02 0.17 -4.85 115.26 115.62 2dkl n ASN 45 Ca 0.00 -2.64 -0.35 0.00 -0.03 0.00 0.00 54.58 51.55 2dkl n ASN 45 Cb 0.84 -0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.13 -2.54 -3.01 6.41 4.13 -0.78 0.63 115.26 119.98 2dkl n ASN 46 Ca 0.23 -1.05 -0.21 0.00 1.68 0.00 0.00 54.58 55.24 2dkl n ASN 46 Cb 0.95 -2.60 0.06 0.00 -1.54 0.00 0.00 39.78 36.64 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 -4.36 -5.99 -4.22 3.52 2.81 0.34 -5.00 117.12 104.23 2dkl n MET 47 Ca 0.01 0.76 -0.34 0.00 -1.81 0.00 0.00 57.70 56.32 2dkl n MET 47 Cb 0.52 -5.47 -0.08 0.00 -0.71 0.00 0.00 33.22 27.48 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 -3.07 5.49 -0.09 7.83 0.01 0.21 -5.05 114.94 120.26 2dkl s ASN 48 Ca 0.42 0.16 -0.05 0.00 -0.71 0.00 0.00 52.86 52.68 2dkl s ASN 48 Cb -0.19 -1.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 2dkl s ASN 48 CO 0.52 0.34 -0.09 0.25 -1.51 0.00 0.00 177.10 176.60 2dkl h LEU 49 N 4.69 0.00 -0.92 0.60 5.85 -1.95 -3.12 115.31 120.47 2dkl h LEU 49 Ca -0.51 0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.47 2dkl h LEU 49 Cb 1.19 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 2dkl h LEU 49 CO 0.58 0.50 0.36 -0.78 -0.34 0.00 0.00 178.44 178.75 2dkl h ASP 50 N -0.73 0.22 -0.31 1.25 1.82 -1.98 0.26 116.42 116.95 2dkl h ASP 50 Ca 0.00 0.19 -0.05 0.00 -0.39 0.00 0.00 57.03 56.78 2dkl h ASP 50 Cb 0.27 0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.46 2dkl h ASP 50 CO 0.00 -0.11 0.01 1.56 -1.61 0.00 0.00 179.24 179.08 2dkl h GLN 51 N 0.29 0.55 0.86 0.28 1.08 -1.93 -2.81 115.11 113.43 2dkl h GLN 51 Ca 0.60 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 57.59 2dkl h GLN 51 Cb 1.25 -0.05 0.01 0.00 -0.05 0.00 0.00 27.48 28.63 2dkl h GLN 51 CO -0.61 0.68 -0.42 0.00 -0.95 0.00 0.00 178.83 177.53 2dkl h ALA 52 N 0.85 -1.16 -0.94 3.87 0.00 -0.58 -1.27 119.26 120.02 2dkl h ALA 52 Ca 0.09 -0.26 0.28 0.00 0.00 0.00 0.00 54.91 55.02 2dkl h ALA 52 Cb 0.43 0.45 -0.16 0.00 0.00 0.00 0.00 17.79 18.51 2dkl h ALA 52 CO 0.01 -1.10 0.23 0.52 0.00 0.00 0.00 179.25 178.91 2dkl h MET 53 N -1.27 0.11 -0.30 0.00 2.86 -0.77 0.46 114.93 116.01 2dkl h MET 53 Ca -0.12 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 2dkl h MET 53 Cb 0.89 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2dkl h MET 53 CO 0.19 0.07 -0.03 1.03 1.06 0.00 0.00 176.91 179.24 2dkl h SER 54 N 0.11 0.54 -0.45 1.22 0.87 -1.36 0.20 113.55 114.67 2dkl h SER 54 Ca 0.62 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2dkl h SER 54 Cb 1.35 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2dkl h SER 54 CO -0.76 0.74 0.29 0.00 -0.53 0.00 0.00 176.83 176.58 2dkl h ALA 55 N 0.81 1.66 0.24 6.23 0.00 0.99 0.36 119.26 129.55 2dkl h ALA 55 Ca 0.08 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 2dkl h ALA 55 Cb 0.49 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 18.12 2dkl h ALA 55 CO 0.02 0.31 -1.53 -0.07 0.00 0.00 0.00 179.25 177.99 2dkl h LEU 56 N 0.62 0.79 -0.75 0.00 3.38 -0.60 -3.32 115.31 115.43 2dkl h LEU 56 Ca 0.17 -0.89 -0.12 0.00 0.09 0.00 0.00 57.88 57.12 2dkl h LEU 56 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2dkl h LEU 56 CO -0.03 1.71 -0.37 -0.07 0.09 0.00 0.00 178.44 179.77 2dkl h LEU 57 N 0.14 0.55 -0.94 1.67 3.38 -0.24 -3.26 115.31 116.62 2dkl h LEU 57 Ca -0.27 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 57.57 2dkl h LEU 57 Cb 2.15 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 42.63 2dkl h LEU 57 CO 0.26 0.87 -0.55 -0.33 0.09 0.00 0.00 178.44 178.78 2dkl h GLU 58 N 0.44 -0.04 0.64 1.13 5.08 -0.40 -1.54 114.58 119.89 2dkl h GLU 58 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2dkl h GLU 58 Cb 0.85 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2dkl h GLU 58 CO 0.07 -0.03 -0.47 0.87 -1.00 0.00 0.00 179.01 178.45 2dkl h LYS 59 N -0.04 -1.03 -4.64 2.33 1.57 -1.73 -3.38 116.57 109.64 2dkl h LYS 59 Ca 0.18 0.07 -0.68 0.00 -1.87 0.00 0.00 60.65 58.36 2dkl h LYS 59 Cb 0.46 0.23 -0.36 0.00 0.08 0.00 0.00 32.23 32.64 2dkl h LYS 59 CO -0.91 -0.69 -0.66 0.15 -0.57 0.00 0.00 179.45 176.77 2dkl s LYS 60 N -5.72 1.94 -0.74 3.15 -0.14 -0.65 -5.06 119.74 112.52 2dkl s LYS 60 Ca -0.17 -1.69 -0.27 0.00 -1.36 0.00 0.00 55.97 52.48 2dkl s LYS 60 Cb 0.03 -3.32 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 2dkl s LYS 60 CO 0.56 -0.89 1.43 0.08 -0.76 0.00 0.00 175.35 175.77 2dkl s VAL 61 N 1.08 3.65 0.42 3.17 1.01 -0.76 -4.46 120.40 124.51 2dkl s VAL 61 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.32 2dkl s VAL 61 Cb -0.21 -4.70 -0.00 0.00 0.00 0.00 0.00 36.38 31.47 2dkl s VAL 61 CO -0.05 -1.64 0.60 -0.62 0.00 0.00 0.00 175.10 173.39 2dkl s ASP 62 N 4.85 5.83 -0.99 3.32 -1.08 -1.26 -4.98 116.67 122.36 2dkl s ASP 62 Ca 0.43 0.07 -0.24 0.00 -0.52 0.00 0.00 52.55 52.30 2dkl s ASP 62 Cb -0.08 -1.35 -0.07 0.00 -1.46 0.00 0.00 42.92 39.95 2dkl s ASP 62 CO 0.14 -0.64 1.98 -0.69 0.52 0.00 0.00 175.17 176.48 2dkl s VAL 63 N -2.43 3.43 -0.31 1.11 1.01 -1.26 -4.89 120.40 117.05 2dkl s VAL 63 Ca 0.48 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2dkl s VAL 63 Cb -0.10 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 2dkl s VAL 63 CO 0.35 -0.86 2.25 -0.67 0.00 0.00 0.00 175.10 176.18 2dkl n ASP 64 N 14.66 2.71 -4.57 3.32 -0.08 -1.26 -4.92 116.55 126.40 2dkl n ASP 64 Ca 0.42 0.17 -0.40 0.00 -1.51 0.00 0.00 54.79 53.47 2dkl n ASP 64 Cb 0.47 -1.45 -0.09 0.00 2.34 0.00 0.00 41.12 42.38 2dkl n ASP 64 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2dkl s LYS 65 N 6.65 3.75 0.21 -0.67 2.36 -1.26 -5.06 119.74 125.73 2dkl s LYS 65 Ca 1.04 -0.15 -0.30 0.00 -2.55 0.00 0.00 55.97 54.01 2dkl s LYS 65 Cb -0.50 -3.75 -0.08 0.00 -1.05 0.00 0.00 37.83 32.45 2dkl s LYS 65 CO 0.39 -0.47 1.07 -0.98 1.55 0.00 0.00 175.35 176.91 2dkl s ARG 66 N 2.16 4.65 0.00 4.03 1.70 -1.26 -4.72 118.95 125.51 2dkl s ARG 66 Ca 0.15 1.70 0.00 0.00 -0.47 0.00 0.00 55.73 57.12 2dkl s ARG 66 Cb -0.16 -3.25 0.00 0.00 -0.57 0.00 0.00 34.95 30.97 2dkl s ARG 66 CO 0.11 0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.93 2dkl n GLY 67 N 1.71 0.06 3.67 3.88 0.00 -1.26 -5.07 105.19 108.18 2dkl n GLY 67 Ca 0.01 -0.51 -0.61 0.00 0.00 0.00 0.00 46.02 44.91 2dkl n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkl n LEU 68 N 0.00 1.81 0.00 0.99 7.99 -1.26 -4.59 117.00 121.93 2dkl n LEU 68 Ca 0.00 1.04 0.00 0.00 -0.01 0.00 0.00 56.01 57.04 2dkl n LEU 68 Cb 0.00 -1.03 0.00 0.00 -0.11 0.00 0.00 43.42 42.28 2dkl n LEU 68 CO 0.00 -0.62 0.00 0.61 -1.51 0.00 0.00 177.39 175.87 2dkl n GLY 69 N 4.57 1.92 2.87 -0.72 0.00 -1.26 -5.06 105.19 107.51 2dkl n GLY 69 Ca 0.32 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.55 0.29 -0.28 1.61 1.01 -1.26 -5.12 120.40 114.10 2dkl s VAL 70 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2dkl s VAL 70 Cb 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 36.38 36.13 2dkl s VAL 70 CO 0.00 0.14 -0.02 0.42 0.00 0.00 0.00 175.10 175.64 2dkl s THR 71 N 0.63 1.80 -0.09 3.92 -4.23 -1.26 -5.09 115.64 111.32 2dkl s THR 71 Ca -0.07 -1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2dkl s THR 71 Cb -0.10 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.64 2dkl s THR 71 CO -0.01 -0.28 -0.06 -0.62 -0.54 0.00 0.00 174.62 173.10 2dkl s ASP 72 N 1.22 1.88 -0.04 3.99 2.15 -1.26 -5.13 116.67 119.48 2dkl s ASP 72 Ca -0.00 -0.24 -0.07 0.00 0.43 0.00 0.00 52.55 52.67 2dkl s ASP 72 Cb -0.19 -0.72 0.01 0.00 -0.30 0.00 0.00 42.92 41.73 2dkl s ASP 72 CO -0.09 -0.11 0.17 -2.28 -0.17 0.00 0.00 175.17 172.70 2dkl s HIS 73 N 1.55 -0.10 0.08 -5.34 5.65 -1.26 -5.07 115.29 110.79 2dkl s HIS 73 Ca 0.01 0.22 -0.32 0.00 0.25 0.00 0.00 55.06 55.22 2dkl s HIS 73 Cb -0.13 0.02 -0.18 0.00 -1.18 0.00 0.00 32.58 31.12 2dkl s HIS 73 CO -0.05 -0.19 1.62 -0.91 -0.65 0.00 0.00 174.74 174.56 2dkl h ASN 74 N 5.10 -0.81 -3.51 9.88 4.21 -2.09 -3.49 115.58 124.86 2dkl h ASN 74 Ca -0.28 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.27 2dkl h ASN 74 Cb 1.19 0.23 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 2dkl h ASN 74 CO 0.40 -0.53 -0.30 0.61 -1.29 0.00 0.00 177.43 176.31 2dkl n GLY 75 N -1.48 -3.78 3.17 2.83 0.00 -1.26 -5.11 105.19 99.56 2dkl n GLY 75 Ca -0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.66 0.82 -0.04 1.61 0.23 -1.26 -5.08 119.30 113.92 2dkl s MET 76 Ca 0.00 -1.22 -0.01 0.00 -1.03 0.00 0.00 55.69 53.43 2dkl s MET 76 Cb 0.00 0.27 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 2dkl s MET 76 CO 0.00 -0.23 -0.05 0.00 -2.03 0.00 0.00 175.02 172.71 2dkl n ALA 77 N -0.03 2.55 -3.01 3.16 0.00 -1.26 -5.11 120.51 116.82 2dkl n ALA 77 Ca -0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.08 2dkl n ALA 77 Cb 0.62 0.44 -0.06 0.00 0.00 0.00 0.00 19.45 20.46 2dkl n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkl s ALA 78 N -2.07 -0.36 0.11 0.00 0.00 -1.26 -5.15 121.76 113.03 2dkl s ALA 78 Ca -0.05 -0.66 0.09 0.00 0.00 0.00 0.00 51.96 51.33 2dkl s ALA 78 Cb 0.02 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 24.00 2dkl s ALA 78 CO 0.07 -0.74 -0.18 -1.59 0.00 0.00 0.00 175.76 173.32 2dkl s LYS 79 N -3.95 1.80 -1.32 0.00 -2.85 -1.26 -4.66 119.74 107.50 2dkl s LYS 79 Ca 0.16 -1.17 -0.08 0.00 -1.00 0.00 0.00 55.97 53.88 2dkl s LYS 79 Cb 0.01 -2.12 0.01 0.00 -2.06 0.00 0.00 37.83 33.67 2dkl s LYS 79 CO 0.01 0.48 1.07 0.45 0.10 0.00 0.00 175.35 177.46 2dkl n SER 80 N 0.85 -6.18 0.00 0.03 2.88 -1.26 -4.67 113.62 105.27 2dkl n SER 80 Ca -0.16 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.90 2dkl n SER 80 Cb 0.53 -4.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.16 2dkl n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkl n GLY 81 N -1.90 -3.34 0.05 0.46 0.00 -1.26 -4.02 105.19 95.18 2dkl n GLY 81 Ca -0.01 -1.89 0.09 0.00 0.00 0.00 0.00 46.02 44.21 2dkl n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkl n PRO 82 N -0.31 0.08 -4.26 1.61 -0.04 -1.26 -4.75 135.00 126.07 2dkl n PRO 82 Ca 0.00 0.32 -0.27 0.00 -0.04 0.00 0.00 63.50 63.51 2dkl n PRO 82 Cb 0.00 -1.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 2dkl n PRO 82 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dkl s SER 83 N -3.49 4.36 0.31 3.54 1.04 -1.26 -5.01 113.70 113.18 2dkl s SER 83 Ca 0.06 -1.27 0.06 0.00 0.48 0.00 0.00 55.95 55.28 2dkl s SER 83 Cb 0.09 -0.06 0.82 0.00 0.10 0.00 0.00 66.02 66.97 2dkl s SER 83 CO 0.31 -0.72 1.64 0.28 0.98 0.00 0.00 173.24 175.73 2dkl h SER 84 N 1.29 0.08 0.00 7.02 0.02 -1.85 -3.44 113.55 116.67 2dkl h SER 84 Ca -0.42 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2dkl h SER 84 Cb 1.28 0.26 0.00 0.00 0.14 0.00 0.00 62.40 64.08 2dkl h SER 84 CO 0.69 -0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.81