#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 -0.14 0.56 1.61 1.04 -1.26 -5.17 113.70 110.35 2dkl s SER 2 Ca 0.00 0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.81 2dkl s SER 2 Cb 0.00 0.25 0.07 0.00 0.10 0.00 0.00 66.02 66.44 2dkl s SER 2 CO 0.00 -0.11 0.78 -0.44 0.98 0.00 0.00 173.24 174.44 2dkl s SER 3 N 0.76 5.11 0.10 7.02 0.01 -1.26 -5.14 113.70 120.30 2dkl s SER 3 Ca -0.06 -0.54 -0.17 0.00 1.31 0.00 0.00 55.95 56.49 2dkl s SER 3 Cb -0.07 -0.14 0.04 0.00 0.21 0.00 0.00 66.02 66.05 2dkl s SER 3 CO -0.04 -1.28 0.41 -0.83 0.41 0.00 0.00 173.24 171.91 2dkl s GLY 4 N -4.57 -0.28 0.12 3.44 0.00 -1.26 -5.18 107.32 99.59 2dkl s GLY 4 Ca 0.61 0.08 -0.16 0.00 0.00 0.00 0.00 44.72 45.25 2dkl s GLY 4 CO 0.39 -0.18 0.39 -1.35 0.00 0.00 0.00 173.10 172.35 2dkl s SER 5 N -2.53 -0.22 0.28 1.64 1.04 -1.26 -5.19 113.70 107.46 2dkl s SER 5 Ca 0.00 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.15 2dkl s SER 5 Cb 0.01 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2dkl s SER 5 CO -0.09 -0.83 0.20 -0.44 0.98 0.00 0.00 173.24 173.06 2dkl s SER 6 N -2.75 1.09 0.00 7.02 0.01 -1.26 -5.17 113.70 112.63 2dkl s SER 6 Ca 0.02 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2dkl s SER 6 Cb 0.02 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2dkl s SER 6 CO -0.11 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.20 2dkl n GLY 7 N -0.48 -2.19 3.87 3.44 0.00 -1.26 -5.15 105.19 103.42 2dkl n GLY 7 Ca 0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 1.80 0.07 -0.02 0.00 -1.26 -5.09 107.32 102.82 2dkl s GLY 8 Ca 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.29 2dkl s GLY 8 CO 0.00 0.05 0.82 -3.16 0.00 0.00 0.00 173.10 170.81 2dkl s MET 9 N -4.41 1.02 0.29 2.90 0.00 -1.26 -5.19 119.30 112.66 2dkl s MET 9 Ca 0.53 -0.42 -0.05 0.00 0.00 0.00 0.00 55.69 55.75 2dkl s MET 9 Cb -0.10 0.44 -0.01 0.00 0.00 0.00 0.00 34.83 35.16 2dkl s MET 9 CO 0.40 -0.45 0.41 0.15 0.00 0.00 0.00 175.02 175.53 2dkl s LYS 10 N -3.33 1.70 0.00 3.16 1.02 -1.26 -5.17 119.74 115.86 2dkl s LYS 10 Ca 0.05 -1.61 0.06 0.00 0.02 0.00 0.00 55.97 54.49 2dkl s LYS 10 Cb -0.01 0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 37.70 2dkl s LYS 10 CO -0.08 -0.68 -0.20 -0.08 -0.92 0.00 0.00 175.35 173.39 2dkl s THR 11 N -3.50 1.56 -0.58 2.17 -1.32 -1.26 -5.04 115.64 107.67 2dkl s THR 11 Ca 0.30 -0.95 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 2dkl s THR 11 Cb 0.01 -1.32 0.44 0.00 -1.51 0.00 0.00 72.50 70.11 2dkl s THR 11 CO 0.16 0.35 1.77 -1.20 -2.21 0.00 0.00 174.62 173.49 2dkl n SER 12 N 2.35 6.81 -0.13 8.08 7.64 -1.26 -5.00 113.62 132.11 2dkl n SER 12 Ca -0.16 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 55.94 2dkl n SER 12 Cb 0.53 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 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 -0.79 -3.29 3.37 0.23 0.00 -1.26 -5.12 105.19 98.33 2dkl n GLY 13 Ca 0.55 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.76 1.81 1.04 1.61 1.02 -1.26 -5.16 119.74 115.04 2dkl s LYS 14 Ca 0.00 -1.90 -0.14 0.00 0.02 0.00 0.00 55.97 53.95 2dkl s LYS 14 Cb 0.00 0.37 0.19 0.00 -0.52 0.00 0.00 37.83 37.87 2dkl s LYS 14 CO 0.00 -0.70 0.38 1.04 -0.92 0.00 0.00 175.35 175.15 2dkl n GLN 15 N -0.59 -2.48 -2.72 1.68 3.00 -1.26 -4.99 117.38 110.03 2dkl n GLN 15 Ca 0.05 -0.73 -0.23 0.00 -0.01 0.00 0.00 57.00 56.07 2dkl n GLN 15 Cb 0.62 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.38 2dkl n GLN 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2dkl s ASP 16 N -2.06 5.52 -0.00 1.08 1.01 -1.26 -5.02 116.67 115.93 2dkl s ASP 16 Ca 0.38 0.25 0.18 0.00 0.71 0.00 0.00 52.55 54.08 2dkl s ASP 16 Cb -0.07 -1.29 -0.19 0.00 1.01 0.00 0.00 42.92 42.39 2dkl s ASP 16 CO 0.34 -0.98 0.61 -0.62 0.21 0.00 0.00 175.17 174.73 2dkl n GLU 17 N -2.31 0.64 0.24 8.23 1.02 -1.26 -4.33 120.64 122.87 2dkl n GLU 17 Ca 0.05 0.09 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 2dkl n GLU 17 Cb 0.59 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.23 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dkl h ALA 18 N 1.46 -0.64 -1.01 0.62 0.00 -2.01 -2.29 119.26 115.39 2dkl h ALA 18 Ca -0.21 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 54.83 2dkl h ALA 18 Cb 1.59 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 2dkl h ALA 18 CO 0.03 -0.88 0.64 0.11 0.00 0.00 0.00 179.25 179.16 2dkl h TRP 19 N -0.64 0.72 -0.46 0.00 5.08 -2.01 0.62 115.95 119.26 2dkl h TRP 19 Ca -0.04 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.96 2dkl h TRP 19 Cb 0.54 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 26.47 2dkl h TRP 19 CO -0.12 0.10 0.30 0.82 -1.28 0.00 0.00 178.44 178.26 2dkl h ILE 20 N 0.46 1.13 -0.94 0.12 2.04 -1.61 -2.67 117.51 116.04 2dkl h ILE 20 Ca 0.57 -0.26 0.34 0.00 1.00 0.00 0.00 64.86 66.52 2dkl h ILE 20 Cb 1.35 0.47 -0.17 0.00 -0.74 0.00 0.00 36.82 37.72 2dkl h ILE 20 CO -0.30 0.13 0.31 0.80 0.00 0.00 0.00 178.15 179.09 2dkl n MET 21 N -4.75 -0.06 -0.01 2.37 1.56 0.21 0.65 117.12 117.09 2dkl n MET 21 Ca 0.02 1.35 -0.09 0.00 -0.27 0.00 0.00 57.70 58.70 2dkl n MET 21 Cb 0.03 -2.30 -0.03 0.00 2.15 0.00 0.00 33.22 33.07 2dkl n MET 21 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2dkl h SER 22 N 0.00 -0.46 -0.82 6.12 4.64 -1.56 -2.69 113.55 118.79 2dkl h SER 22 Ca 0.71 0.09 0.09 0.00 -0.47 0.00 0.00 61.79 62.21 2dkl h SER 22 Cb 1.73 0.22 -0.11 0.00 -0.31 0.00 0.00 62.40 63.93 2dkl h SER 22 CO -0.79 -0.19 -0.42 0.54 -0.87 0.00 0.00 176.83 175.10 2dkl n ARG 23 N -5.29 -0.29 -0.35 4.77 1.74 0.21 0.16 116.66 117.60 2dkl n ARG 23 Ca -0.03 1.24 0.01 0.00 -0.77 0.00 0.00 57.85 58.31 2dkl n ARG 23 Cb 0.21 -1.83 0.16 0.00 -1.02 0.00 0.00 32.46 29.97 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 1.00 0.21 0.55 3.38 -1.53 -2.74 115.31 116.18 2dkl h LEU 24 Ca 0.19 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2dkl h LEU 24 Cb 0.40 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2dkl h LEU 24 CO -0.78 0.65 -0.27 0.40 0.09 0.00 0.00 178.44 178.53 2dkl h ILE 25 N 1.14 0.42 -0.68 1.22 1.08 0.18 -3.01 117.51 117.86 2dkl h ILE 25 Ca 0.41 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.94 2dkl h ILE 25 Cb 0.12 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.21 2dkl h ILE 25 CO -0.16 0.00 -0.40 1.17 -0.69 0.00 0.00 178.15 178.07 2dkl n LYS 26 N -5.39 -0.30 -0.32 2.37 0.00 -0.23 0.13 118.16 114.42 2dkl n LYS 26 Ca -0.08 1.16 -0.03 0.00 0.00 0.00 0.00 58.31 59.36 2dkl n LYS 26 Cb 0.30 -1.71 0.02 0.00 0.00 0.00 0.00 35.03 33.64 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 2dkl h GLN 27 N 0.00 -0.06 0.45 1.64 1.08 -1.57 0.32 115.11 116.98 2dkl h GLN 27 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2dkl h GLN 27 Cb 0.28 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2dkl h GLN 27 CO -0.64 -0.04 -0.22 -0.07 -0.95 0.00 0.00 178.83 176.91 2dkl h LEU 28 N -0.06 -0.52 -1.95 1.46 4.07 -0.30 -2.21 115.31 115.80 2dkl h LEU 28 Ca 0.30 -0.01 0.19 0.00 0.08 0.00 0.00 57.88 58.44 2dkl h LEU 28 Cb 0.58 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.42 2dkl h LEU 28 CO -0.88 -0.33 0.55 0.71 -1.08 0.00 0.00 178.44 177.41 2dkl h THR 29 N -0.66 0.47 0.00 0.22 1.35 0.85 0.66 112.91 115.81 2dkl h THR 29 Ca -0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.68 2dkl h THR 29 Cb 0.49 0.59 -0.02 0.00 -1.73 0.00 0.00 68.15 67.49 2dkl h THR 29 CO 0.10 0.00 -0.54 0.44 -0.25 0.00 0.00 175.52 175.27 2dkl h ASP 30 N 0.00 0.00 0.27 5.36 5.19 0.15 -3.35 116.42 124.04 2dkl h ASP 30 Ca 0.31 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 2dkl h ASP 30 Cb 1.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.93 2dkl h ASP 30 CO -0.00 0.54 -0.13 0.24 -3.12 0.00 0.00 179.24 176.77 2dkl h MET 31 N 0.00 -0.35 0.00 3.56 2.86 0.86 -3.48 114.93 118.39 2dkl h MET 31 Ca -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2dkl h MET 31 Cb 1.33 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2dkl h MET 31 CO 0.07 -0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.23 2dkl n GLY 32 N 0.86 0.00 2.95 8.32 0.00 -0.89 -5.08 105.19 111.34 2dkl n GLY 32 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.31 0.77 1.61 0.08 -1.22 -5.05 117.98 114.48 2dkl s PHE 33 Ca 0.00 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.73 2dkl s PHE 33 Cb 0.00 -0.20 0.06 0.00 -0.57 0.00 0.00 43.02 42.31 2dkl s PHE 33 CO 0.00 -0.05 1.09 -1.25 -0.10 0.00 0.00 175.22 174.91 2dkl s PRO 34 N -0.58 2.24 0.32 0.24 0.04 -1.26 -3.66 135.00 132.33 2dkl s PRO 34 Ca -0.04 1.17 0.13 0.00 0.04 0.00 0.00 61.00 62.29 2dkl s PRO 34 Cb -0.04 -1.90 0.51 0.00 0.04 0.00 0.00 34.50 33.11 2dkl s PRO 34 CO -0.00 -1.65 1.69 0.07 0.04 0.00 0.00 177.00 177.14 2dkl h ARG 35 N -1.14 0.00 -0.35 4.56 0.11 -1.98 -3.03 114.38 112.56 2dkl h ARG 35 Ca -0.44 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.68 2dkl h ARG 35 Cb 1.23 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.26 2dkl h ARG 35 CO 0.51 0.51 -0.27 0.93 0.10 0.00 0.00 179.97 181.76 2dkl h GLU 36 N 0.00 -0.07 0.05 0.08 4.39 -2.00 -0.24 114.58 116.78 2dkl h GLU 36 Ca -0.01 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dkl h GLU 36 Cb 0.95 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.62 2dkl h GLU 36 CO 0.07 -0.05 -0.02 -1.00 -1.16 0.00 0.00 179.01 176.84 2dkl h PRO 37 N -0.08 -0.07 -1.39 2.33 0.13 -1.97 -2.96 132.00 127.99 2dkl h PRO 37 Ca 0.06 0.00 0.46 0.00 -0.87 0.00 0.00 66.00 65.65 2dkl h PRO 37 Cb 0.22 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 31.24 2dkl h PRO 37 CO -0.37 0.40 0.91 0.00 -0.23 0.00 0.00 178.00 178.71 2dkl h ALA 38 N 0.35 2.86 0.11 -0.56 0.00 -1.38 0.43 119.26 121.07 2dkl h ALA 38 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dkl h ALA 38 Cb 0.49 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2dkl h ALA 38 CO 0.01 -1.50 -0.05 1.49 0.00 0.00 0.00 179.25 179.20 2dkl h GLU 39 N 0.05 -0.14 0.19 0.00 4.81 -1.01 -3.05 114.58 115.43 2dkl h GLU 39 Ca 0.84 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 60.10 2dkl h GLU 39 Cb 2.74 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 32.12 2dkl h GLU 39 CO -0.40 0.16 -0.34 0.93 -0.73 0.00 0.00 179.01 178.64 2dkl h GLU 40 N -0.99 -0.59 -0.05 1.92 4.39 -0.75 -2.74 114.58 115.77 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 0.37 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2dkl h GLU 40 CO 0.02 -0.39 -0.11 0.00 -1.16 0.00 0.00 179.01 177.38 2dkl h ALA 41 N -0.03 -0.46 -0.36 3.43 0.00 -0.42 -2.48 119.26 118.94 2dkl h ALA 41 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2dkl h ALA 41 Cb 0.61 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2dkl h ALA 41 CO -0.15 -0.50 -0.21 1.28 0.00 0.00 0.00 179.25 179.66 2dkl n LEU 42 N -3.18 -0.39 -0.37 0.00 4.77 -1.15 0.20 117.00 116.88 2dkl n LEU 42 Ca -0.01 1.04 0.33 0.00 -0.03 0.00 0.00 56.01 57.34 2dkl n LEU 42 Cb 0.07 -0.28 0.60 0.00 -2.33 0.00 0.00 43.42 41.48 2dkl n LEU 42 CO 0.01 -0.72 1.13 0.11 -1.33 0.00 0.00 177.39 176.59 2dkl h LYS 43 N 0.00 0.06 0.05 3.23 1.79 -1.22 1.49 116.57 121.97 2dkl h LYS 43 Ca 0.06 -0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.28 2dkl h LYS 43 Cb 0.15 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2dkl h LYS 43 CO -0.34 0.04 -1.17 0.77 -1.08 0.00 0.00 179.45 177.67 2dkl h SER 44 N 0.06 0.16 -0.23 0.86 0.02 0.26 -3.25 113.55 111.43 2dkl h SER 44 Ca 0.83 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 61.51 2dkl h SER 44 Cb 2.33 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 64.76 2dkl h SER 44 CO -0.63 1.15 0.12 0.59 -1.14 0.00 0.00 176.83 176.91 2dkl n ASN 45 N -3.39 2.92 -3.98 3.07 3.02 0.50 -4.84 115.26 112.56 2dkl n ASN 45 Ca -0.05 -2.37 -0.28 0.00 -0.03 0.00 0.00 54.58 51.84 2dkl n ASN 45 Cb 0.98 -0.58 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.09 -1.86 -3.62 6.41 3.02 -0.74 -0.98 115.26 117.58 2dkl n ASN 46 Ca 0.13 -0.95 -0.22 0.00 -0.03 0.00 0.00 54.58 53.52 2dkl n ASN 46 Cb 0.72 -3.25 0.06 0.00 -0.61 0.00 0.00 39.78 36.71 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 -4.43 -6.24 -4.78 3.52 2.81 -0.59 -4.99 117.12 102.42 2dkl n MET 47 Ca -0.16 0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 56.14 2dkl n MET 47 Cb 0.61 -5.61 -0.13 0.00 -0.71 0.00 0.00 33.22 27.39 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 -3.98 4.25 -0.11 7.83 -0.87 -0.16 -5.05 114.94 116.86 2dkl s ASN 48 Ca 0.23 -0.15 -0.05 0.00 -1.57 0.00 0.00 52.86 51.32 2dkl s ASN 48 Cb -0.11 -1.03 -0.02 0.00 -0.02 0.00 0.00 41.25 40.07 2dkl s ASN 48 CO 0.77 0.33 -0.10 0.25 -2.57 0.00 0.00 177.10 175.78 2dkl h LEU 49 N 5.44 0.00 -0.79 0.60 5.85 -1.94 -3.12 115.31 121.35 2dkl h LEU 49 Ca -0.45 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.43 2dkl h LEU 49 Cb 1.16 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 2dkl h LEU 49 CO 0.52 0.58 0.31 -0.78 -0.34 0.00 0.00 178.44 178.73 2dkl h ASP 50 N -0.87 0.26 -0.20 1.25 1.82 -1.98 0.17 116.42 116.87 2dkl h ASP 50 Ca 0.00 0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2dkl h ASP 50 Cb 0.30 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 2dkl h ASP 50 CO 0.00 0.07 0.09 1.56 -1.61 0.00 0.00 179.24 179.35 2dkl h GLN 51 N 0.42 0.29 0.87 0.28 4.20 -1.93 -2.99 115.11 116.25 2dkl h GLN 51 Ca 0.45 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 59.07 2dkl h GLN 51 Cb 0.73 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.46 2dkl h GLN 51 CO -0.44 0.32 -0.42 0.00 -0.67 0.00 0.00 178.83 177.62 2dkl h ALA 52 N 0.95 -1.24 -0.78 3.87 0.00 -1.13 -1.85 119.26 119.08 2dkl h ALA 52 Ca 0.07 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 54.91 2dkl h ALA 52 Cb 0.13 0.45 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 2dkl h ALA 52 CO -0.01 -1.15 -0.06 -1.33 0.00 0.00 0.00 179.25 176.70 2dkl n MET 53 N -5.35 -0.07 -0.09 0.00 2.81 0.46 0.15 117.12 115.03 2dkl n MET 53 Ca -0.15 1.19 -0.12 0.00 -1.81 0.00 0.00 57.70 56.81 2dkl n MET 53 Cb 0.46 -1.84 -0.04 0.00 -0.71 0.00 0.00 33.22 31.09 2dkl n MET 53 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2dkl h SER 54 N 0.00 0.51 -0.59 7.83 4.64 -1.41 0.21 113.55 124.75 2dkl h SER 54 Ca 0.44 -0.38 0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2dkl h SER 54 Cb 0.82 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 2dkl h SER 54 CO -0.76 0.77 0.39 0.00 -0.87 0.00 0.00 176.83 176.37 2dkl h ALA 55 N 0.76 1.86 0.09 5.18 0.00 0.23 0.17 119.26 127.54 2dkl h ALA 55 Ca 0.06 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2dkl h ALA 55 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dkl h ALA 55 CO 0.03 0.03 -0.90 -0.07 0.00 0.00 0.00 179.25 178.34 2dkl h LEU 56 N 0.53 0.28 -0.43 0.00 3.38 -0.55 -3.37 115.31 115.15 2dkl h LEU 56 Ca 0.26 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.38 2dkl h LEU 56 Cb 0.34 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2dkl h LEU 56 CO -0.08 1.40 0.23 -0.07 0.09 0.00 0.00 178.44 180.01 2dkl h LEU 57 N -0.56 0.35 -0.89 1.67 3.38 -0.26 -3.00 115.31 115.99 2dkl h LEU 57 Ca -0.19 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2dkl h LEU 57 Cb 1.51 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 42.10 2dkl h LEU 57 CO 0.04 0.25 -0.53 -0.62 0.09 0.00 0.00 178.44 177.68 2dkl n GLU 58 N -4.89 -0.39 -0.37 1.13 -0.58 0.56 -0.00 120.64 116.11 2dkl n GLU 58 Ca 0.02 1.38 0.02 0.00 -0.42 0.00 0.00 57.16 58.16 2dkl n GLU 58 Cb 0.09 -2.03 0.09 0.00 -0.57 0.00 0.00 31.44 29.02 2dkl n GLU 58 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2dkl h LYS 59 N 0.00 -0.00 -4.26 3.49 1.57 -1.69 -3.23 116.57 112.45 2dkl h LYS 59 Ca 0.14 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.18 2dkl h LYS 59 Cb 0.37 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.42 2dkl h LYS 59 CO -0.84 -0.00 -0.33 0.15 -0.57 0.00 0.00 179.45 177.85 2dkl s LYS 60 N -6.09 2.80 -0.51 3.15 1.02 1.00 -5.04 119.74 116.06 2dkl s LYS 60 Ca -0.14 -1.58 -0.25 0.00 0.02 0.00 0.00 55.97 54.01 2dkl s LYS 60 Cb 0.23 -4.07 0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2dkl s LYS 60 CO 0.74 -1.15 0.96 0.08 -0.92 0.00 0.00 175.35 175.06 2dkl s VAL 61 N 1.52 4.39 -0.15 3.17 1.01 -1.22 -4.80 120.40 124.32 2dkl s VAL 61 Ca 0.04 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 2dkl s VAL 61 Cb -0.26 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.56 2dkl s VAL 61 CO 0.03 -1.01 0.29 -1.81 0.00 0.00 0.00 175.10 172.60 2dkl s ASP 62 N 2.59 6.45 0.45 3.32 1.11 -1.26 -4.96 116.67 124.38 2dkl s ASP 62 Ca 0.35 0.53 0.32 0.00 0.18 0.00 0.00 52.55 53.92 2dkl s ASP 62 Cb -0.11 -2.18 1.46 0.00 1.07 0.00 0.00 42.92 43.16 2dkl s ASP 62 CO 0.23 0.12 1.61 1.62 1.18 0.00 0.00 175.17 179.93 2dkl h VAL 63 N 4.62 0.09 -3.30 -1.27 3.04 -2.04 -3.35 116.25 114.04 2dkl h VAL 63 Ca -0.42 -0.02 -0.67 0.00 -1.01 0.00 0.00 66.70 64.58 2dkl h VAL 63 Cb 1.17 0.03 -0.33 0.00 -2.01 0.00 0.00 31.29 30.14 2dkl h VAL 63 CO 0.74 0.01 -0.87 -0.62 -1.01 0.00 0.00 177.57 175.82 2dkl s ASP 64 N -4.41 3.02 -0.58 3.17 -1.08 -1.26 -5.08 116.67 110.45 2dkl s ASP 64 Ca -0.07 -0.56 -0.27 0.00 -0.52 0.00 0.00 52.55 51.12 2dkl s ASP 64 Cb 0.30 -1.39 0.01 0.00 -1.46 0.00 0.00 42.92 40.38 2dkl s ASP 64 CO 0.83 0.13 1.50 -0.54 0.52 0.00 0.00 175.17 177.61 2dkl s LYS 65 N 0.50 3.16 -0.36 4.34 -0.14 -1.26 -4.95 119.74 121.03 2dkl s LYS 65 Ca -0.15 0.44 0.04 0.00 -1.36 0.00 0.00 55.97 54.93 2dkl s LYS 65 Cb -0.17 -4.19 0.10 0.00 -1.68 0.00 0.00 37.83 31.90 2dkl s LYS 65 CO 0.05 -2.11 0.09 1.03 -0.76 0.00 0.00 175.35 173.65 2dkl s ARG 66 N 5.84 1.49 0.00 1.68 1.81 -1.26 -5.02 118.95 123.48 2dkl s ARG 66 Ca 0.54 -1.92 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 2dkl s ARG 66 Cb -0.11 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.27 2dkl s ARG 66 CO 0.23 -0.97 0.00 0.41 -0.68 0.00 0.00 175.30 174.29 2dkl n GLY 67 N 4.12 4.33 3.28 -3.53 0.00 -1.26 -5.04 105.19 107.10 2dkl n GLY 67 Ca 0.04 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.59 0.00 0.99 2.96 -1.26 -5.06 118.68 116.90 2dkl s LEU 68 Ca 0.00 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 2dkl s LEU 68 Cb 0.00 1.44 0.00 0.00 0.50 0.00 0.00 46.19 48.13 2dkl s LEU 68 CO 0.00 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.24 2dkl n GLY 69 N 1.56 2.31 3.22 7.98 0.00 -1.26 -5.03 105.19 113.97 2dkl n GLY 69 Ca -0.20 -1.03 -0.54 0.00 0.00 0.00 0.00 46.02 44.25 2dkl n GLY 69 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2dkl n VAL 70 N 1.00 0.00 -3.21 1.61 3.14 -1.26 -4.87 118.33 114.73 2dkl n VAL 70 Ca 0.00 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.97 2dkl n VAL 70 Cb 0.00 -0.01 -0.07 0.00 -1.06 0.00 0.00 33.84 32.70 2dkl n VAL 70 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 2dkl s THR 71 N 0.06 5.01 0.79 1.55 -4.23 -1.26 -5.06 115.64 112.50 2dkl s THR 71 Ca 0.84 0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 61.84 2dkl s THR 71 Cb -1.17 -3.93 0.07 0.00 1.34 0.00 0.00 72.50 68.81 2dkl s THR 71 CO 0.53 -0.11 1.14 1.51 -0.54 0.00 0.00 174.62 177.15 2dkl s ASP 72 N 1.68 4.63 -0.29 3.99 -4.77 -1.26 -5.09 116.67 115.56 2dkl s ASP 72 Ca 0.21 0.99 -0.16 0.00 -3.30 0.00 0.00 52.55 50.29 2dkl s ASP 72 Cb -0.15 -1.62 0.15 0.00 -1.09 0.00 0.00 42.92 40.21 2dkl s ASP 72 CO 0.12 -1.85 1.01 -2.28 0.70 0.00 0.00 175.17 172.87 2dkl s HIS 73 N -3.40 -0.54 0.10 2.11 2.46 -1.26 -5.18 115.29 109.58 2dkl s HIS 73 Ca 0.61 1.05 -0.01 0.00 0.47 0.00 0.00 55.06 57.18 2dkl s HIS 73 Cb -0.12 0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.61 2dkl s HIS 73 CO 0.51 -0.27 0.02 1.21 -2.47 0.00 0.00 174.74 173.74 2dkl s ASN 74 N 1.49 0.48 0.00 9.88 3.84 -1.26 -5.02 114.94 124.36 2dkl s ASN 74 Ca -0.08 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 51.87 2dkl s ASN 74 Cb -0.04 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.90 2dkl s ASN 74 CO -0.15 -0.66 0.00 0.61 -2.79 0.00 0.00 177.10 174.11 2dkl n GLY 75 N -0.03 -0.10 3.71 1.21 0.00 -1.26 -5.12 105.19 103.59 2dkl n GLY 75 Ca -0.09 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2dkl n GLY 75 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dkl s MET 76 N 0.00 4.19 0.26 1.61 -1.94 -1.26 -5.00 119.30 117.15 2dkl s MET 76 Ca 0.00 2.42 0.08 0.00 -1.71 0.00 0.00 55.69 56.48 2dkl s MET 76 Cb 0.00 -3.32 -0.04 0.00 2.01 0.00 0.00 34.83 33.48 2dkl s MET 76 CO 0.00 -0.69 0.12 0.00 -0.01 0.00 0.00 175.02 174.44 2dkl s ALA 77 N 1.76 3.43 -0.08 3.03 0.00 -1.26 -5.14 121.76 123.51 2dkl s ALA 77 Ca 0.73 -1.50 -0.27 0.00 0.00 0.00 0.00 51.96 50.92 2dkl s ALA 77 Cb -0.44 -1.11 0.06 0.00 0.00 0.00 0.00 23.12 21.64 2dkl s ALA 77 CO 0.32 0.26 0.62 0.00 0.00 0.00 0.00 175.76 176.97 2dkl s ALA 78 N -2.20 -1.60 -1.74 0.00 0.00 -1.26 -4.93 121.76 110.03 2dkl s ALA 78 Ca 0.32 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.36 2dkl s ALA 78 Cb -0.07 -0.17 0.17 0.00 0.00 0.00 0.00 23.12 23.05 2dkl s ALA 78 CO 0.23 -0.34 0.68 1.63 0.00 0.00 0.00 175.76 177.95 2dkl n LYS 79 N 1.26 -2.32 -3.71 0.00 4.76 -1.26 -4.90 118.16 111.99 2dkl n LYS 79 Ca -0.19 0.29 -0.38 0.00 -2.87 0.00 0.00 58.31 55.16 2dkl n LYS 79 Cb 0.57 -4.89 -0.11 0.00 -1.84 0.00 0.00 35.03 28.76 2dkl n LYS 79 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2dkl s SER 80 N -3.39 5.40 0.40 4.39 1.04 -1.26 -5.07 113.70 115.21 2dkl s SER 80 Ca 0.70 -1.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.42 2dkl s SER 80 Cb -0.39 -1.90 -0.15 0.00 0.10 0.00 0.00 66.02 63.68 2dkl s SER 80 CO 0.96 -0.46 0.18 0.61 0.98 0.00 0.00 173.24 175.51 2dkl n GLY 81 N 4.80 -2.49 3.75 7.32 0.00 -1.26 -4.85 105.19 112.45 2dkl n GLY 81 Ca -0.09 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.10 4.42 -0.51 1.61 0.04 -1.26 -5.01 135.00 133.20 2dkl s PRO 82 Ca 0.60 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.72 2dkl s PRO 82 Cb -0.65 -3.16 0.13 0.00 0.04 0.00 0.00 34.50 30.86 2dkl s PRO 82 CO 0.62 -0.16 0.26 -1.12 0.04 0.00 0.00 177.00 176.64 2dkl s SER 83 N -0.08 4.57 0.10 6.66 0.01 -1.26 -5.07 113.70 118.63 2dkl s SER 83 Ca 0.52 -2.84 -0.03 0.00 1.31 0.00 0.00 55.95 54.92 2dkl s SER 83 Cb -0.36 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 2dkl s SER 83 CO 0.43 -0.29 0.07 -0.55 0.41 0.00 0.00 173.24 173.31 2dkl s SER 84 N 0.12 0.31 0.00 2.44 0.15 -1.26 -5.34 113.70 110.12 2dkl s SER 84 Ca 0.16 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2dkl s SER 84 Cb -0.24 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2dkl s SER 84 CO -0.02 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.33