#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkl n SER 2 N 0.00 -4.41 -0.05 1.61 2.88 -1.26 -4.92 113.62 107.47 2dkl n SER 2 Ca 0.00 0.33 -0.20 0.00 -1.33 0.00 0.00 58.87 57.67 2dkl n SER 2 Cb 0.00 -0.70 -0.13 0.00 -0.75 0.00 0.00 64.21 62.63 2dkl n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dkl h SER 3 N -0.51 0.17 -5.20 -3.46 4.64 -1.85 -3.49 113.55 103.86 2dkl h SER 3 Ca -0.37 -0.75 -0.34 0.00 -0.47 0.00 0.00 61.79 59.86 2dkl h SER 3 Cb 1.19 -0.06 0.12 0.00 -0.31 0.00 0.00 62.40 63.35 2dkl h SER 3 CO 0.27 1.47 -0.60 0.61 -0.87 0.00 0.00 176.83 177.72 2dkl n GLY 4 N 1.61 -0.34 3.67 -0.77 0.00 -1.26 -4.80 105.19 103.30 2dkl n GLY 4 Ca -0.25 0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.40 6.71 0.30 1.61 1.04 -1.26 -5.04 113.70 113.67 2dkl s SER 5 Ca 0.44 0.86 -0.29 0.00 0.48 0.00 0.00 55.95 57.44 2dkl s SER 5 Cb -0.20 -2.34 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 2dkl s SER 5 CO 0.63 -0.22 1.38 -0.44 0.98 0.00 0.00 173.24 175.57 2dkl s SER 6 N 1.10 6.67 -0.04 7.02 0.01 -1.26 -4.99 113.70 122.21 2dkl s SER 6 Ca 0.29 2.72 -0.12 0.00 1.31 0.00 0.00 55.95 60.15 2dkl s SER 6 Cb -0.16 -2.64 0.02 0.00 0.21 0.00 0.00 66.02 63.45 2dkl s SER 6 CO 0.11 -0.64 0.27 -0.83 0.41 0.00 0.00 173.24 172.56 2dkl s GLY 7 N -0.09 -0.13 0.00 3.44 0.00 -1.26 -5.13 107.32 104.14 2dkl s GLY 7 Ca 0.54 0.37 0.00 0.00 0.00 0.00 0.00 44.72 45.63 2dkl s GLY 7 CO 0.50 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.41 2dkl n GLY 8 N 1.74 0.59 3.38 0.20 0.00 -1.26 -5.04 105.19 104.81 2dkl n GLY 8 Ca -0.19 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.33 3.21 -0.24 1.61 -1.94 -1.26 -5.01 119.30 115.34 2dkl s MET 9 Ca 0.00 -0.70 -0.05 0.00 -1.71 0.00 0.00 55.69 53.23 2dkl s MET 9 Cb 0.00 -2.57 -0.13 0.00 2.01 0.00 0.00 34.83 34.14 2dkl s MET 9 CO 0.00 0.29 -0.26 0.36 -0.01 0.00 0.00 175.02 175.40 2dkl n LYS 10 N 3.30 0.54 0.11 2.03 2.85 -1.26 -4.63 118.16 121.10 2dkl n LYS 10 Ca -0.18 0.18 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2dkl n LYS 10 Cb 0.53 -1.41 -0.14 0.00 -0.65 0.00 0.00 35.03 33.35 2dkl n LYS 10 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2dkl h THR 11 N -0.44 1.31 -3.74 0.58 1.35 -2.06 -3.43 112.91 106.46 2dkl h THR 11 Ca -0.57 -2.54 -0.66 0.00 -0.55 0.00 0.00 66.41 62.10 2dkl h THR 11 Cb 1.67 2.86 -0.20 0.00 -1.73 0.00 0.00 68.15 70.75 2dkl h THR 11 CO -0.23 0.76 -0.54 -0.94 -0.25 0.00 0.00 175.52 174.32 2dkl s SER 12 N -7.43 5.73 0.00 5.36 1.04 -1.26 -4.98 113.70 112.15 2dkl s SER 12 Ca -0.10 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.04 2dkl s SER 12 Cb 0.04 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2dkl s SER 12 CO 0.93 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.63 2dkl n GLY 13 N 5.02 3.46 3.49 7.32 0.00 -1.26 -4.58 105.19 118.65 2dkl n GLY 13 Ca -0.14 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.17 3.62 -0.60 1.61 3.01 -1.26 -4.97 119.74 118.98 2dkl s LYS 14 Ca 0.00 -1.56 -0.21 0.00 -1.01 0.00 0.00 55.97 53.19 2dkl s LYS 14 Cb 0.00 -5.10 0.07 0.00 -1.01 0.00 0.00 37.83 31.79 2dkl s LYS 14 CO 0.00 -1.94 0.84 -0.65 0.51 0.00 0.00 175.35 174.11 2dkl s GLN 15 N 3.53 3.12 -0.15 1.68 -1.52 -1.26 -5.03 119.66 120.03 2dkl s GLN 15 Ca 0.38 -0.89 -0.05 0.00 -1.95 0.00 0.00 55.36 52.86 2dkl s GLN 15 Cb -0.03 -4.19 -0.03 0.00 -0.22 0.00 0.00 33.01 28.53 2dkl s GLN 15 CO -0.09 -1.61 0.00 -0.51 -0.25 0.00 0.00 175.29 172.83 2dkl s ASP 16 N 3.41 5.15 0.59 5.90 1.11 -1.26 -4.98 116.67 126.59 2dkl s ASP 16 Ca 0.19 -0.01 0.29 0.00 0.18 0.00 0.00 52.55 53.20 2dkl s ASP 16 Cb -0.19 -1.79 1.64 0.00 1.07 0.00 0.00 42.92 43.65 2dkl s ASP 16 CO 0.11 0.21 2.08 -0.08 1.18 0.00 0.00 175.17 178.66 2dkl h GLU 17 N 6.43 0.00 0.60 8.23 4.81 -1.99 -2.40 114.58 130.26 2dkl h GLU 17 Ca -0.36 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2dkl h GLU 17 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2dkl h GLU 17 CO 0.64 0.00 -0.40 0.00 -0.73 0.00 0.00 179.01 178.52 2dkl h ALA 18 N 1.73 -0.99 -0.47 2.92 0.00 -2.00 0.67 119.26 121.12 2dkl h ALA 18 Ca 0.10 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2dkl h ALA 18 Cb 0.57 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2dkl h ALA 18 CO -0.00 -1.08 0.10 0.11 0.00 0.00 0.00 179.25 178.38 2dkl h TRP 19 N -0.95 0.73 -0.59 0.00 5.08 -1.87 -2.76 115.95 115.57 2dkl h TRP 19 Ca -0.07 -0.06 -0.02 0.00 1.08 0.00 0.00 58.89 59.82 2dkl h TRP 19 Cb 0.79 -0.21 -0.03 0.00 -3.00 0.00 0.00 29.16 26.70 2dkl h TRP 19 CO -0.13 0.63 0.29 0.82 -1.28 0.00 0.00 178.44 178.77 2dkl h ILE 20 N 0.68 1.21 -1.00 0.12 2.04 -1.20 -2.73 117.51 116.63 2dkl h ILE 20 Ca 0.15 -0.58 0.39 0.00 1.00 0.00 0.00 64.86 65.82 2dkl h ILE 20 Cb 0.28 0.50 -0.17 0.00 -0.74 0.00 0.00 36.82 36.68 2dkl h ILE 20 CO -0.00 0.24 0.50 -0.03 0.00 0.00 0.00 178.15 178.86 2dkl h MET 21 N 0.81 0.06 -0.44 2.37 4.05 -0.56 0.78 114.93 122.00 2dkl h MET 21 Ca 0.20 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.65 2dkl h MET 21 Cb 0.11 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2dkl h MET 21 CO -0.03 0.04 0.24 1.03 0.23 0.00 0.00 176.91 178.42 2dkl h SER 22 N 0.06 0.36 -0.84 1.39 0.87 -1.60 -2.67 113.55 111.12 2dkl h SER 22 Ca 0.81 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 61.52 2dkl h SER 22 Cb 2.06 -0.05 -0.14 0.00 -0.44 0.00 0.00 62.40 63.82 2dkl h SER 22 CO -0.75 0.26 -0.37 0.03 -0.53 0.00 0.00 176.83 175.46 2dkl h ARG 23 N 0.47 -0.06 -0.88 2.24 3.08 0.48 0.47 114.38 120.18 2dkl h ARG 23 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2dkl h ARG 23 Cb 0.07 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 2dkl h ARG 23 CO -0.11 -0.04 0.49 -0.07 -1.07 0.00 0.00 179.97 179.16 2dkl h LEU 24 N -0.06 1.10 0.07 3.04 3.38 -1.51 -2.93 115.31 118.39 2dkl h LEU 24 Ca 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2dkl h LEU 24 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2dkl h LEU 24 CO -0.87 0.88 -0.07 0.40 0.09 0.00 0.00 178.44 178.87 2dkl h ILE 25 N 1.23 0.83 -0.90 1.22 1.08 0.11 -3.03 117.51 118.06 2dkl h ILE 25 Ca 0.31 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.89 2dkl h ILE 25 Cb 0.02 0.83 -0.13 0.00 -3.07 0.00 0.00 36.82 34.47 2dkl h ILE 25 CO -0.05 0.00 -0.50 0.50 -0.69 0.00 0.00 178.15 177.40 2dkl h LYS 26 N -0.16 -0.06 -1.29 2.37 3.64 -0.51 0.96 116.57 121.52 2dkl h LYS 26 Ca 0.01 0.00 0.41 0.00 -1.27 0.00 0.00 60.65 59.80 2dkl h LYS 26 Cb 0.16 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.88 2dkl h LYS 26 CO -0.03 -0.04 0.85 1.96 -2.27 0.00 0.00 179.45 179.92 2dkl h GLN 27 N -0.06 0.13 0.17 1.90 1.08 -1.53 0.39 115.11 117.18 2dkl h GLN 27 Ca 0.21 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 57.13 2dkl h GLN 27 Cb 0.50 -0.03 0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2dkl h GLN 27 CO -0.89 0.09 -1.28 -0.07 -0.95 0.00 0.00 178.83 175.72 2dkl h LEU 28 N 0.13 0.55 -2.14 1.46 4.07 0.74 -3.23 115.31 116.90 2dkl h LEU 28 Ca 0.77 -0.91 0.07 0.00 0.08 0.00 0.00 57.88 57.89 2dkl h LEU 28 Cb 2.42 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.97 2dkl h LEU 28 CO -0.35 1.59 0.30 0.71 -1.08 0.00 0.00 178.44 179.60 2dkl h THR 29 N -0.17 0.38 0.01 0.22 1.35 0.27 0.15 112.91 115.12 2dkl h THR 29 Ca -0.25 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.37 2dkl h THR 29 Cb 1.86 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 69.01 2dkl h THR 29 CO 0.16 0.00 -1.28 -0.78 -0.25 0.00 0.00 175.52 173.37 2dkl h ASP 30 N 0.00 0.04 0.32 5.36 1.82 -1.25 -3.39 116.42 119.32 2dkl h ASP 30 Ca 0.12 -0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2dkl h ASP 30 Cb 0.70 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.71 2dkl h ASP 30 CO -0.00 1.04 -0.15 0.24 -1.61 0.00 0.00 179.24 178.75 2dkl h MET 31 N 0.01 -0.42 0.00 0.28 2.86 -0.72 -3.44 114.93 113.50 2dkl h MET 31 Ca -0.12 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2dkl h MET 31 Cb 1.87 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.63 2dkl h MET 31 CO 0.12 -0.28 0.00 0.41 1.06 0.00 0.00 176.91 178.22 2dkl n GLY 32 N -0.26 0.00 2.98 8.32 0.00 -0.97 -4.42 105.19 110.83 2dkl n GLY 32 Ca -0.05 0.00 -0.16 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 0.52 0.75 1.61 0.08 -1.18 -4.96 117.98 114.79 2dkl s PHE 33 Ca 0.00 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 2dkl s PHE 33 Cb 0.00 -0.33 0.04 0.00 -0.57 0.00 0.00 43.02 42.16 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 -0.29 2.38 0.33 0.24 0.04 -1.26 -3.51 135.00 132.94 2dkl s PRO 34 Ca 0.01 1.23 0.12 0.00 0.04 0.00 0.00 61.00 62.40 2dkl s PRO 34 Cb -0.03 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 33.18 2dkl s PRO 34 CO -0.00 -1.55 1.74 0.07 0.04 0.00 0.00 177.00 177.30 2dkl h ARG 35 N -0.84 0.00 -0.38 4.56 -0.00 -1.96 -3.00 114.38 112.75 2dkl h ARG 35 Ca -0.44 0.00 0.04 0.00 -0.00 0.00 0.00 59.98 59.57 2dkl h ARG 35 Cb 1.23 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 31.15 2dkl h ARG 35 CO 0.52 0.47 -0.27 0.93 -0.00 0.00 0.00 179.97 181.61 2dkl h GLU 36 N 0.00 -0.06 -0.04 0.08 4.39 -2.00 0.53 114.58 117.48 2dkl h GLU 36 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2dkl h GLU 36 Cb 0.84 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2dkl h GLU 36 CO 0.06 -0.04 -0.04 -1.00 -1.16 0.00 0.00 179.01 176.83 2dkl h PRO 37 N -0.06 0.09 -0.13 2.33 0.13 -1.97 -2.92 132.00 129.47 2dkl h PRO 37 Ca 0.06 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2dkl h PRO 37 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 2dkl h PRO 37 CO -0.39 0.55 0.62 0.00 -0.23 0.00 0.00 178.00 178.55 2dkl h ALA 38 N 0.54 1.76 0.02 -0.56 0.00 -1.34 0.26 119.26 119.94 2dkl h ALA 38 Ca 0.01 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2dkl h ALA 38 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2dkl h ALA 38 CO 0.01 -0.69 -1.25 1.49 0.00 0.00 0.00 179.25 178.81 2dkl h GLU 39 N 0.00 0.04 -0.29 0.00 4.81 -0.77 -3.21 114.58 115.16 2dkl h GLU 39 Ca 0.06 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2dkl h GLU 39 Cb 1.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2dkl h GLU 39 CO -0.00 1.04 0.10 1.05 -0.73 0.00 0.00 179.01 180.47 2dkl h GLU 40 N -0.84 0.44 0.63 1.92 4.11 -0.66 -3.06 114.58 117.11 2dkl h GLU 40 Ca -0.33 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 58.99 2dkl h GLU 40 Cb 1.39 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2dkl h GLU 40 CO -0.15 0.48 -0.34 0.00 0.07 0.00 0.00 179.01 179.07 2dkl h ALA 41 N 0.94 -1.21 -0.75 1.06 0.00 -0.81 -3.12 119.26 115.38 2dkl h ALA 41 Ca 0.10 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2dkl h ALA 41 Cb 0.21 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 2dkl h ALA 41 CO -0.01 -1.16 -0.44 1.28 0.00 0.00 0.00 179.25 178.92 2dkl n LEU 42 N -4.56 -0.79 -0.32 0.00 4.77 -1.21 0.19 117.00 115.08 2dkl n LEU 42 Ca -0.11 1.33 0.23 0.00 -0.03 0.00 0.00 56.01 57.44 2dkl n LEU 42 Cb 0.36 -0.17 0.45 0.00 -2.33 0.00 0.00 43.42 41.74 2dkl n LEU 42 CO 0.26 -1.09 1.03 0.11 -1.33 0.00 0.00 177.39 176.38 2dkl h LYS 43 N 0.00 0.16 0.00 3.23 1.79 -1.50 1.47 116.57 121.72 2dkl h LYS 43 Ca 0.12 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2dkl h LYS 43 Cb 0.31 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 2dkl h LYS 43 CO -0.70 0.11 -0.56 0.77 -1.08 0.00 0.00 179.45 177.98 2dkl h SER 44 N 0.17 0.00 -0.68 0.86 0.02 0.22 -3.31 113.55 110.82 2dkl h SER 44 Ca 0.72 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 61.26 2dkl h SER 44 Cb 1.70 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 64.03 2dkl h SER 44 CO -0.70 0.04 0.53 0.59 -1.14 0.00 0.00 176.83 176.14 2dkl n ASN 45 N -2.89 5.33 -4.35 3.07 3.02 0.49 -4.86 115.26 115.07 2dkl n ASN 45 Ca 0.01 -3.23 -0.36 0.00 -0.03 0.00 0.00 54.58 50.97 2dkl n ASN 45 Cb 0.56 -0.89 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 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 -0.38 -0.80 -3.88 6.41 3.02 -0.95 -0.22 115.26 118.46 2dkl n ASN 46 Ca 0.42 -1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 2dkl n ASN 46 Cb 0.94 -1.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 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 -4.34 -2.43 -4.38 3.52 2.81 -0.56 -4.97 117.12 106.76 2dkl n MET 47 Ca -0.10 0.39 -0.26 0.00 -1.81 0.00 0.00 57.70 55.92 2dkl n MET 47 Cb 0.58 -4.26 -0.13 0.00 -0.71 0.00 0.00 33.22 28.70 2dkl n MET 47 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2dkl s ASN 48 N -4.04 2.74 -0.16 7.83 2.47 0.70 -5.06 114.94 119.42 2dkl s ASN 48 Ca 0.18 -0.68 -0.22 0.00 0.42 0.00 0.00 52.86 52.56 2dkl s ASN 48 Cb -0.07 -0.17 -0.24 0.00 -1.45 0.00 0.00 41.25 39.32 2dkl s ASN 48 CO 0.89 0.11 0.48 0.25 -3.72 0.00 0.00 177.10 175.10 2dkl h LEU 49 N 4.15 0.12 -1.15 3.21 5.85 -1.93 -2.35 115.31 123.22 2dkl h LEU 49 Ca -0.47 -0.75 -0.01 0.00 0.84 0.00 0.00 57.88 57.49 2dkl h LEU 49 Cb 1.17 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 2dkl h LEU 49 CO 0.40 1.40 0.42 -0.78 -0.34 0.00 0.00 178.44 179.53 2dkl h ASP 50 N -0.78 0.89 0.06 1.25 3.58 -1.97 0.16 116.42 119.61 2dkl h ASP 50 Ca -0.24 -0.06 -0.16 0.00 0.42 0.00 0.00 57.03 56.98 2dkl h ASP 50 Cb 1.36 -0.23 0.02 0.00 1.72 0.00 0.00 39.33 42.20 2dkl h ASP 50 CO -0.07 0.71 -0.68 1.56 -2.88 0.00 0.00 179.24 177.88 2dkl h GLN 51 N 1.02 0.36 0.09 0.28 4.20 -1.88 -3.16 115.11 116.00 2dkl h GLN 51 Ca 0.26 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2dkl h GLN 51 Cb -0.00 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2dkl h GLN 51 CO -0.05 1.16 -0.08 0.00 -0.67 0.00 0.00 178.83 179.19 2dkl h ALA 52 N 0.22 -0.16 0.03 3.87 0.00 -1.23 -2.26 119.26 119.74 2dkl h ALA 52 Ca -0.10 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2dkl h ALA 52 Cb 1.44 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 2dkl h ALA 52 CO 0.13 -0.60 -0.52 0.52 0.00 0.00 0.00 179.25 178.78 2dkl h MET 53 N -0.18 -0.66 -0.99 0.00 2.86 -1.09 -1.00 114.93 113.86 2dkl h MET 53 Ca 0.00 0.05 0.24 0.00 -2.06 0.00 0.00 59.70 57.93 2dkl h MET 53 Cb 0.18 0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.86 2dkl h MET 53 CO -0.02 -0.44 0.58 1.03 1.06 0.00 0.00 176.91 179.11 2dkl h SER 54 N -0.69 0.66 -0.19 1.22 0.87 -1.50 0.68 113.55 114.59 2dkl h SER 54 Ca 0.01 0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 2dkl h SER 54 Cb 0.73 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2dkl h SER 54 CO -0.34 0.11 0.14 0.00 -0.53 0.00 0.00 176.83 176.22 2dkl h ALA 55 N 1.72 2.17 0.10 6.23 0.00 -0.57 0.11 119.26 129.02 2dkl h ALA 55 Ca 0.63 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 55.18 2dkl h ALA 55 Cb 1.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2dkl h ALA 55 CO -0.47 -0.24 -1.91 1.28 0.00 0.00 0.00 179.25 177.90 2dkl n LEU 56 N -4.45 2.53 0.05 0.00 4.77 0.21 -4.16 117.00 115.95 2dkl n LEU 56 Ca 0.02 0.23 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2dkl n LEU 56 Cb 0.28 -1.09 0.40 0.00 -2.33 0.00 0.00 43.42 40.68 2dkl n LEU 56 CO 0.35 0.77 1.03 -0.07 -1.33 0.00 0.00 177.39 178.14 2dkl h LEU 57 N -0.09 0.38 -1.96 2.23 3.38 -0.32 -2.49 115.31 116.44 2dkl h LEU 57 Ca -0.42 -0.04 0.49 0.00 0.09 0.00 0.00 57.88 58.00 2dkl h LEU 57 Cb 1.92 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.51 2dkl h LEU 57 CO 0.04 0.38 1.24 1.05 0.09 0.00 0.00 178.44 181.24 2dkl h GLU 58 N 0.42 0.00 -1.62 1.13 -0.00 -0.95 0.48 114.58 114.04 2dkl h GLU 58 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.34 2dkl h GLU 58 Cb 0.15 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.84 2dkl h GLU 58 CO -0.01 0.00 0.15 1.63 -0.00 0.00 0.00 179.01 180.79 2dkl n LYS 59 N -3.97 1.29 -3.74 1.06 5.02 -0.94 -4.81 118.16 112.08 2dkl n LYS 59 Ca 0.38 -0.59 -0.27 0.00 -2.02 0.00 0.00 58.31 55.80 2dkl n LYS 59 Cb 1.76 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 35.47 2dkl n LYS 59 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dkl n LYS 60 N 0.85 -0.87 -2.77 1.97 0.00 0.17 -4.81 118.16 112.70 2dkl n LYS 60 Ca 0.11 0.08 -0.42 0.00 -0.00 0.00 0.00 58.31 58.08 2dkl n LYS 60 Cb 0.57 -3.01 -0.03 0.00 -0.00 0.00 0.00 35.03 32.56 2dkl n LYS 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2dkl s VAL 61 N -3.24 4.72 0.20 0.58 0.11 -1.18 -4.98 120.40 116.62 2dkl s VAL 61 Ca 0.33 1.73 -0.21 0.00 -2.93 0.00 0.00 61.98 60.91 2dkl s VAL 61 Cb -0.19 -4.24 -0.13 0.00 -1.53 0.00 0.00 36.38 30.29 2dkl s VAL 61 CO 0.73 -0.19 0.32 0.47 -3.33 0.00 0.00 175.10 173.10 2dkl n ASP 62 N 6.28 -1.30 -4.38 3.54 8.00 -1.26 -4.83 116.55 122.59 2dkl n ASP 62 Ca 0.09 0.83 -0.46 0.00 0.71 0.00 0.00 54.79 55.96 2dkl n ASP 62 Cb 0.47 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 2dkl n ASP 62 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2dkl s VAL 63 N -0.92 5.19 -0.58 2.53 1.01 -1.26 -5.00 120.40 121.37 2dkl s VAL 63 Ca 0.49 -1.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.29 2dkl s VAL 63 Cb -0.68 -4.60 0.07 0.00 0.00 0.00 0.00 36.38 31.18 2dkl s VAL 63 CO 0.45 -1.23 0.81 -0.62 0.00 0.00 0.00 175.10 174.51 2dkl s ASP 64 N 2.89 6.23 -0.37 3.32 2.15 -1.26 -5.00 116.67 124.63 2dkl s ASP 64 Ca 0.23 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.28 2dkl s ASP 64 Cb -0.09 -2.36 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 2dkl s ASP 64 CO -0.08 -1.16 0.13 -0.54 -0.17 0.00 0.00 175.17 173.35 2dkl s LYS 65 N 3.34 2.13 -0.19 4.34 -0.14 -1.26 -4.20 119.74 123.75 2dkl s LYS 65 Ca 0.20 -1.63 -0.16 0.00 -1.36 0.00 0.00 55.97 53.02 2dkl s LYS 65 Cb -0.18 -3.44 -0.21 0.00 -1.68 0.00 0.00 37.83 32.33 2dkl s LYS 65 CO 0.12 -0.91 0.21 0.54 -0.76 0.00 0.00 175.35 174.55 2dkl n ARG 66 N 4.59 0.63 0.00 1.68 1.74 -1.26 -5.07 116.66 118.97 2dkl n ARG 66 Ca -0.06 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.47 2dkl n ARG 66 Cb 0.42 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2dkl n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dkl n GLY 67 N 1.61 4.05 0.18 -0.13 0.00 -1.26 -5.07 105.19 104.58 2dkl n GLY 67 Ca -0.34 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 2.49 0.00 0.99 4.77 -1.26 -4.93 117.00 119.06 2dkl n LEU 68 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2dkl n LEU 68 Cb 0.00 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2dkl n LEU 68 CO 0.00 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2dkl n GLY 69 N 3.11 2.32 0.10 -0.72 0.00 -1.26 -5.08 105.19 103.67 2dkl n GLY 69 Ca -0.10 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 2dkl n GLY 69 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dkl h VAL 70 N 0.00 0.90 -1.23 1.61 2.07 -2.05 -3.42 116.25 114.12 2dkl h VAL 70 Ca 0.00 -2.15 -0.63 0.00 0.82 0.00 0.00 66.70 64.74 2dkl h VAL 70 Cb 0.00 2.17 -0.11 0.00 -1.52 0.00 0.00 31.29 31.84 2dkl h VAL 70 CO 0.00 0.30 1.57 -0.89 0.02 0.00 0.00 177.57 178.58 2dkl s THR 71 N -2.36 4.08 0.43 2.57 2.01 -1.26 -4.96 115.64 116.16 2dkl s THR 71 Ca -0.28 -1.15 0.06 0.00 0.31 0.00 0.00 61.69 60.62 2dkl s THR 71 Cb 0.06 -5.06 -0.07 0.00 0.01 0.00 0.00 72.50 67.44 2dkl s THR 71 CO 0.58 -1.90 0.02 1.51 -0.69 0.00 0.00 174.62 174.14 2dkl s ASP 72 N 4.61 3.94 -0.08 3.53 1.47 -1.26 -5.15 116.67 123.73 2dkl s ASP 72 Ca 0.46 -1.41 0.03 0.00 1.18 0.00 0.00 52.55 52.81 2dkl s ASP 72 Cb 0.00 -0.25 0.01 0.00 -0.34 0.00 0.00 42.92 42.34 2dkl s ASP 72 CO -0.06 -0.52 -0.17 -2.28 0.68 0.00 0.00 175.17 172.82 2dkl s HIS 73 N -2.73 1.95 -0.13 2.11 2.46 -1.26 -5.12 115.29 112.55 2dkl s HIS 73 Ca 0.30 -0.77 -0.26 0.00 0.47 0.00 0.00 55.06 54.80 2dkl s HIS 73 Cb 0.08 -1.36 0.06 0.00 -0.13 0.00 0.00 32.58 31.24 2dkl s HIS 73 CO 0.16 -0.35 0.64 1.21 -2.47 0.00 0.00 174.74 173.93 2dkl s ASN 74 N 0.54 -0.63 -0.50 9.88 3.84 -1.26 -5.03 114.94 121.78 2dkl s ASN 74 Ca -0.16 0.93 -0.16 0.00 0.21 0.00 0.00 52.86 53.69 2dkl s ASN 74 Cb -0.17 0.88 0.02 0.00 -0.55 0.00 0.00 41.25 41.43 2dkl s ASN 74 CO 0.06 -0.43 0.63 0.61 -2.79 0.00 0.00 177.10 175.18 2dkl n GLY 75 N 1.74 -1.11 3.52 1.21 0.00 -1.26 -4.74 105.19 104.54 2dkl n GLY 75 Ca -0.17 1.09 -0.42 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.75 3.43 0.15 1.61 1.75 -1.26 -4.13 119.30 118.10 2dkl s MET 76 Ca 0.21 -1.02 -0.01 0.00 -1.25 0.00 0.00 55.69 53.62 2dkl s MET 76 Cb -0.05 -4.83 -0.04 0.00 2.84 0.00 0.00 34.83 32.75 2dkl s MET 76 CO 0.78 -2.04 0.08 0.00 -0.65 0.00 0.00 175.02 173.20 2dkl s ALA 77 N 4.50 0.97 -0.02 4.11 0.00 -1.26 -5.09 121.76 124.97 2dkl s ALA 77 Ca 0.37 -1.55 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 2dkl s ALA 77 Cb -0.05 1.05 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 2dkl s ALA 77 CO -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 175.76 175.12 2dkl n ALA 78 N -0.16 2.44 -2.62 0.00 0.00 -1.26 -4.74 120.51 114.17 2dkl n ALA 78 Ca -0.03 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.74 2dkl n ALA 78 Cb 0.64 0.27 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 2dkl n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2dkl s LYS 79 N -2.21 4.06 -0.29 0.00 -2.85 -1.26 -5.01 119.74 112.19 2dkl s LYS 79 Ca -0.09 0.64 -0.16 0.00 -1.00 0.00 0.00 55.97 55.36 2dkl s LYS 79 Cb 0.02 -3.68 0.12 0.00 -2.06 0.00 0.00 37.83 32.23 2dkl s LYS 79 CO 0.13 -0.54 0.87 -1.54 0.10 0.00 0.00 175.35 174.37 2dkl s SER 80 N 1.50 -0.68 0.00 0.03 1.04 -1.26 -5.07 113.70 109.26 2dkl s SER 80 Ca 0.30 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2dkl s SER 80 Cb -0.15 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.26 2dkl s SER 80 CO 0.10 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dkl n GLY 81 N 3.96 0.39 3.58 7.32 0.00 -1.26 -5.01 105.19 114.17 2dkl n GLY 81 Ca -0.19 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.64 3.08 0.30 1.61 0.04 -1.26 -4.98 135.00 133.15 2dkl s PRO 82 Ca 0.00 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 2dkl s PRO 82 Cb 0.00 -4.25 -0.09 0.00 0.04 0.00 0.00 34.50 30.20 2dkl s PRO 82 CO 0.00 -2.17 1.02 -1.12 0.04 0.00 0.00 177.00 174.77 2dkl s SER 83 N 6.58 7.30 -0.12 6.66 0.01 -1.26 -5.05 113.70 127.81 2dkl s SER 83 Ca 0.72 2.08 -0.04 0.00 1.31 0.00 0.00 55.95 60.02 2dkl s SER 83 Cb -0.17 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.50 2dkl s SER 83 CO 0.28 -0.11 0.07 -0.94 0.41 0.00 0.00 173.24 172.95 2dkl s SER 84 N -1.19 1.92 0.00 2.44 1.04 -1.26 -5.30 113.70 111.35 2dkl s SER 84 Ca 0.47 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.54 2dkl s SER 84 Cb -0.27 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2dkl s SER 84 CO 0.34 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.87