#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 -0.38 -0.30 1.61 0.15 -1.26 -5.16 113.70 108.35 2dkl s SER 2 Ca 0.00 -0.36 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 2dkl s SER 2 Cb 0.00 0.67 0.16 0.00 -1.71 0.00 0.00 66.02 65.14 2dkl s SER 2 CO 0.00 -1.18 0.81 -0.94 1.20 0.00 0.00 173.24 173.13 2dkl s SER 3 N -2.85 -0.91 0.00 5.45 1.04 -1.26 -5.03 113.70 110.14 2dkl s SER 3 Ca 0.07 1.01 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2dkl s SER 3 Cb -0.04 1.94 0.00 0.00 0.10 0.00 0.00 66.02 68.02 2dkl s SER 3 CO -0.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2dkl n GLY 4 N 5.28 -0.52 3.53 7.32 0.00 -1.26 -5.16 105.19 114.38 2dkl n GLY 4 Ca -0.08 0.26 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.65 0.27 1.61 0.01 -1.26 -4.95 113.70 108.73 2dkl s SER 5 Ca 0.00 0.76 -0.14 0.00 1.31 0.00 0.00 55.95 57.88 2dkl s SER 5 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2dkl s SER 5 CO 0.00 -0.56 0.55 -0.55 0.41 0.00 0.00 173.24 173.08 2dkl s SER 6 N -1.06 -0.05 0.68 2.44 0.15 -1.26 -4.81 113.70 109.79 2dkl s SER 6 Ca -0.10 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.64 2dkl s SER 6 Cb -0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dkl s SER 6 CO 0.09 -1.23 0.00 0.61 1.20 0.00 0.00 173.24 173.91 2dkl n GLY 7 N -0.42 0.81 0.00 9.45 0.00 -1.26 -4.73 105.19 109.04 2dkl n GLY 7 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.45 3.56 -0.02 0.00 -1.26 -5.05 105.19 100.97 2dkl n GLY 8 Ca 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 2dkl n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dkl n MET 9 N 0.00 0.56 -3.79 1.61 0.00 -1.26 -4.90 117.12 109.33 2dkl n MET 9 Ca 0.00 -0.84 -0.35 0.00 -0.00 0.00 0.00 57.70 56.51 2dkl n MET 9 Cb 0.00 -3.67 -0.09 0.00 0.00 0.00 0.00 33.22 29.46 2dkl n MET 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2dkl s LYS 10 N 8.91 4.13 0.41 2.12 -0.14 -1.26 -5.07 119.74 128.84 2dkl s LYS 10 Ca 0.94 -0.25 0.06 0.00 -1.36 0.00 0.00 55.97 55.35 2dkl s LYS 10 Cb -0.14 -3.38 -0.07 0.00 -1.68 0.00 0.00 37.83 32.56 2dkl s LYS 10 CO 0.09 0.28 0.02 0.95 -0.76 0.00 0.00 175.35 175.92 2dkl s THR 11 N 0.41 1.81 -0.15 2.17 -4.23 -1.26 -5.10 115.64 109.30 2dkl s THR 11 Ca 0.07 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 2dkl s THR 11 Cb -0.11 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.78 2dkl s THR 11 CO -0.01 0.00 -0.30 -1.54 -0.54 0.00 0.00 174.62 172.22 2dkl n SER 12 N -0.96 1.78 -0.11 3.99 3.41 -1.26 -5.08 113.62 115.39 2dkl n SER 12 Ca -0.06 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2dkl n SER 12 Cb 0.67 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2dkl n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkl n GLY 13 N 1.64 0.37 3.80 5.00 0.00 -1.26 -4.69 105.19 110.05 2dkl n GLY 13 Ca -0.12 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 2.69 -0.38 1.61 -0.14 -1.26 -5.04 119.74 117.23 2dkl s LYS 14 Ca 0.00 1.06 0.04 0.00 -1.36 0.00 0.00 55.97 55.70 2dkl s LYS 14 Cb 0.00 -1.96 0.11 0.00 -1.68 0.00 0.00 37.83 34.30 2dkl s LYS 14 CO 0.00 -1.30 0.10 1.14 -0.76 0.00 0.00 175.35 174.53 2dkl s GLN 15 N -4.93 1.55 -0.11 1.68 -2.07 -1.26 -5.07 119.66 109.45 2dkl s GLN 15 Ca 0.60 -2.01 -0.01 0.00 -1.82 0.00 0.00 55.36 52.12 2dkl s GLN 15 Cb -0.15 -3.17 0.03 0.00 -1.09 0.00 0.00 33.01 28.62 2dkl s GLN 15 CO 0.54 -0.98 -0.06 -0.51 -1.32 0.00 0.00 175.29 172.97 2dkl s ASP 16 N 0.67 2.10 0.57 12.60 1.11 -1.26 -5.00 116.67 127.46 2dkl s ASP 16 Ca 0.12 -0.28 0.33 0.00 0.18 0.00 0.00 52.55 52.90 2dkl s ASP 16 Cb -0.20 -0.76 1.42 0.00 1.07 0.00 0.00 42.92 44.45 2dkl s ASP 16 CO -0.07 -0.14 1.73 -0.08 1.18 0.00 0.00 175.17 177.79 2dkl h GLU 17 N 8.21 0.00 0.30 8.23 4.57 -1.98 -0.64 114.58 133.27 2dkl h GLU 17 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 2dkl h GLU 17 Cb 1.13 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 2dkl h GLU 17 CO 0.37 0.00 -0.38 0.00 -1.18 0.00 0.00 179.01 177.82 2dkl h ALA 18 N 1.23 -0.77 -0.42 2.92 0.00 -2.00 0.20 119.26 120.42 2dkl h ALA 18 Ca 0.45 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2dkl h ALA 18 Cb 2.11 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 20.45 2dkl h ALA 18 CO -0.00 -0.98 -0.05 0.11 0.00 0.00 0.00 179.25 178.32 2dkl h TRP 19 N -0.73 0.76 -0.50 0.00 5.08 -1.56 -2.95 115.95 116.05 2dkl h TRP 19 Ca -0.01 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 59.84 2dkl h TRP 19 Cb 0.68 -0.20 -0.02 0.00 -3.00 0.00 0.00 29.16 26.61 2dkl h TRP 19 CO -0.25 0.74 0.27 0.82 -1.28 0.00 0.00 178.44 178.74 2dkl h ILE 20 N 0.66 1.17 -1.18 0.12 2.04 -1.11 -2.62 117.51 116.59 2dkl h ILE 20 Ca 0.12 -0.45 0.43 0.00 1.00 0.00 0.00 64.86 65.97 2dkl h ILE 20 Cb 0.48 0.55 -0.16 0.00 -0.74 0.00 0.00 36.82 36.96 2dkl h ILE 20 CO 0.02 0.19 0.71 -0.03 0.00 0.00 0.00 178.15 179.04 2dkl h MET 21 N 0.67 0.04 -0.01 2.37 4.05 -0.43 0.56 114.93 122.19 2dkl h MET 21 Ca 0.18 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2dkl h MET 21 Cb 0.05 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2dkl h MET 21 CO -0.03 0.03 -0.04 0.66 0.23 0.00 0.00 176.91 177.75 2dkl h SER 22 N 0.04 -0.13 -0.89 1.39 4.64 -1.59 -2.96 113.55 114.07 2dkl h SER 22 Ca 0.85 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 62.30 2dkl h SER 22 Cb 2.46 0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 64.48 2dkl h SER 22 CO -0.60 -0.07 -0.43 0.54 -0.87 0.00 0.00 176.83 175.40 2dkl n ARG 23 N -5.15 -0.30 0.00 4.77 1.74 0.20 0.23 116.66 118.15 2dkl n ARG 23 Ca -0.06 1.35 0.10 0.00 -0.77 0.00 0.00 57.85 58.47 2dkl n ARG 23 Cb 0.09 -2.00 0.52 0.00 -1.02 0.00 0.00 32.46 30.05 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 0.30 0.02 0.55 3.38 -1.57 -2.43 115.31 115.56 2dkl h LEU 24 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2dkl h LEU 24 Cb 0.45 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2dkl h LEU 24 CO -0.86 0.20 -0.01 0.40 0.09 0.00 0.00 178.44 178.26 2dkl h ILE 25 N 0.34 1.31 -0.92 1.22 1.08 0.30 -3.28 117.51 117.57 2dkl h ILE 25 Ca 0.20 -1.03 0.12 0.00 -0.39 0.00 0.00 64.86 63.76 2dkl h ILE 25 Cb 0.34 2.01 -0.13 0.00 -3.07 0.00 0.00 36.82 35.97 2dkl h ILE 25 CO -0.05 0.26 -0.43 1.17 -0.69 0.00 0.00 178.15 178.42 2dkl n LYS 26 N -4.89 -0.29 -0.32 2.37 4.81 0.42 0.13 118.16 120.39 2dkl n LYS 26 Ca -0.08 1.41 0.20 0.00 -0.87 0.00 0.00 58.31 58.96 2dkl n LYS 26 Cb 0.23 -2.08 0.41 0.00 0.02 0.00 0.00 35.03 33.61 2dkl n LYS 26 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dkl h GLN 27 N 0.00 0.28 0.10 1.64 1.08 -1.61 -0.13 115.11 116.48 2dkl h GLN 27 Ca 0.25 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2dkl h GLN 27 Cb 0.48 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2dkl h GLN 27 CO -0.90 0.19 -0.05 -0.07 -0.95 0.00 0.00 178.83 177.06 2dkl h LEU 28 N 0.29 -0.11 -1.90 1.46 4.07 0.94 -3.08 115.31 116.99 2dkl h LEU 28 Ca 0.67 -0.39 0.44 0.00 0.08 0.00 0.00 57.88 58.67 2dkl h LEU 28 Cb 1.46 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 43.16 2dkl h LEU 28 CO -0.62 0.53 1.06 0.71 -1.08 0.00 0.00 178.44 179.04 2dkl h THR 29 N -0.95 0.23 0.03 0.22 1.35 0.38 1.49 112.91 115.67 2dkl h THR 29 Ca -0.01 -0.01 -0.22 0.00 -0.55 0.00 0.00 66.41 65.62 2dkl h THR 29 Cb 0.50 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 2dkl h THR 29 CO 0.02 0.01 -1.00 -0.78 -0.25 0.00 0.00 175.52 173.52 2dkl h ASP 30 N 0.03 0.16 0.06 5.36 3.58 -1.11 -3.38 116.42 121.12 2dkl h ASP 30 Ca 0.73 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 58.02 2dkl h ASP 30 Cb 2.82 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 43.82 2dkl h ASP 30 CO -0.07 1.06 -0.03 0.24 -2.88 0.00 0.00 179.24 177.56 2dkl h MET 31 N 0.04 -0.07 0.00 0.28 2.86 0.22 -3.48 114.93 114.78 2dkl h MET 31 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2dkl h MET 31 Cb 1.71 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.38 2dkl h MET 31 CO 0.14 -0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.48 2dkl n GLY 32 N -0.06 0.00 2.93 8.32 0.00 -0.91 -5.12 105.19 110.35 2dkl n GLY 32 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.19 0.84 1.61 0.08 -1.24 -5.06 117.98 114.41 2dkl s PHE 33 Ca 0.00 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 2dkl s PHE 33 Cb 0.00 -0.13 0.10 0.00 -0.57 0.00 0.00 43.02 42.42 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 -0.67 1.70 0.25 0.24 0.04 -1.26 -3.63 135.00 131.67 2dkl s PRO 34 Ca -0.06 0.97 0.09 0.00 0.04 0.00 0.00 61.00 62.03 2dkl s PRO 34 Cb -0.05 -1.85 0.29 0.00 0.04 0.00 0.00 34.50 32.93 2dkl s PRO 34 CO -0.00 -1.98 1.57 0.07 0.04 0.00 0.00 177.00 176.70 2dkl h ARG 35 N -1.36 0.06 -0.40 4.56 0.11 -1.98 -3.04 114.38 112.33 2dkl h ARG 35 Ca -0.47 -0.05 0.04 0.00 0.10 0.00 0.00 59.98 59.60 2dkl h ARG 35 Cb 1.26 0.01 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 2dkl h ARG 35 CO 0.53 0.69 -0.27 0.93 0.10 0.00 0.00 179.97 181.95 2dkl h GLU 36 N 0.04 -0.04 0.05 0.08 4.39 -2.01 -1.11 114.58 115.99 2dkl h GLU 36 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2dkl h GLU 36 Cb 1.15 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2dkl h GLU 36 CO 0.09 -0.03 -0.03 -1.00 -1.16 0.00 0.00 179.01 176.88 2dkl h PRO 37 N -0.04 -0.07 -1.86 2.33 0.13 -1.98 -2.98 132.00 127.54 2dkl h PRO 37 Ca 0.06 0.00 0.55 0.00 -0.87 0.00 0.00 66.00 65.75 2dkl h PRO 37 Cb 0.21 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.26 2dkl h PRO 37 CO -0.40 0.39 1.32 0.00 -0.23 0.00 0.00 178.00 179.09 2dkl n ALA 38 N -2.38 1.79 -0.06 -0.56 0.00 -1.08 -0.05 120.51 118.18 2dkl n ALA 38 Ca -0.08 0.69 -0.01 0.00 0.00 0.00 0.00 53.44 54.03 2dkl n ALA 38 Cb 0.25 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 2dkl n ALA 38 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2dkl h GLU 39 N 0.00 0.00 -0.47 0.00 4.81 -1.16 -3.18 114.58 114.58 2dkl h GLU 39 Ca 0.93 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 60.25 2dkl h GLU 39 Cb 3.59 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 32.88 2dkl h GLU 39 CO -0.10 0.00 -0.14 0.93 -0.73 0.00 0.00 179.01 178.97 2dkl h GLU 40 N -0.99 -0.03 0.09 1.92 4.39 -0.80 -1.61 114.58 117.56 2dkl h GLU 40 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2dkl h GLU 40 Cb 0.16 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2dkl h GLU 40 CO 0.00 -0.02 -0.14 0.00 -1.16 0.00 0.00 179.01 177.69 2dkl h ALA 41 N 1.41 -0.78 -0.96 3.43 0.00 -0.65 -2.39 119.26 119.32 2dkl h ALA 41 Ca 0.23 -0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2dkl h ALA 41 Cb 0.37 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 2dkl h ALA 41 CO -0.50 -0.80 -0.33 -0.07 0.00 0.00 0.00 179.25 177.55 2dkl h LEU 42 N -0.25 -1.23 -0.91 0.00 3.38 -1.48 1.05 115.31 115.87 2dkl h LEU 42 Ca -0.01 0.30 0.23 0.00 0.09 0.00 0.00 57.88 58.49 2dkl h LEU 42 Cb 0.23 0.69 -0.13 0.00 0.09 0.00 0.00 40.66 41.54 2dkl h LEU 42 CO -0.05 -0.30 0.42 0.11 0.09 0.00 0.00 178.44 178.71 2dkl h LYS 43 N -0.01 0.40 0.00 1.13 1.79 -1.04 0.47 116.57 119.31 2dkl h LYS 43 Ca 0.38 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 2dkl h LYS 43 Cb 0.64 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2dkl h LYS 43 CO -0.98 0.26 -0.64 0.77 -1.08 0.00 0.00 179.45 177.79 2dkl h SER 44 N 0.41 0.00 -0.62 0.86 0.02 0.11 -3.31 113.55 111.02 2dkl h SER 44 Ca 0.58 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.22 2dkl h SER 44 Cb 1.11 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.46 2dkl h SER 44 CO -0.53 0.00 0.39 0.59 -1.14 0.00 0.00 176.83 176.14 2dkl n ASN 45 N -2.81 3.54 -4.36 3.07 3.02 0.29 -4.87 115.26 113.13 2dkl n ASN 45 Ca 0.02 -3.00 -0.39 0.00 -0.03 0.00 0.00 54.58 51.18 2dkl n ASN 45 Cb 0.54 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.47 -2.32 -3.22 6.41 3.02 -0.81 -0.14 115.26 117.73 2dkl n ASN 46 Ca 0.37 -1.13 -0.15 0.00 -0.03 0.00 0.00 54.58 53.63 2dkl n ASN 46 Cb 1.22 -2.20 0.08 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.26 -5.65 -5.05 3.52 2.81 0.01 -5.01 117.12 103.48 2dkl n MET 47 Ca 0.06 0.78 -0.32 0.00 -1.81 0.00 0.00 57.70 56.41 2dkl n MET 47 Cb 0.49 -5.59 -0.16 0.00 -0.71 0.00 0.00 33.22 27.25 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 -4.15 3.47 -0.11 7.83 -0.87 0.81 -5.04 114.94 116.87 2dkl s ASN 48 Ca 0.05 -0.45 -0.10 0.00 -1.57 0.00 0.00 52.86 50.79 2dkl s ASN 48 Cb -0.01 -1.38 -0.09 0.00 -0.02 0.00 0.00 41.25 39.76 2dkl s ASN 48 CO 0.67 0.18 0.27 0.25 -2.57 0.00 0.00 177.10 175.91 2dkl h LEU 49 N 6.55 -0.01 -0.89 0.60 5.85 -1.95 -2.28 115.31 123.17 2dkl h LEU 49 Ca -0.24 -0.33 0.09 0.00 0.84 0.00 0.00 57.88 58.23 2dkl h LEU 49 Cb 1.22 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 2dkl h LEU 49 CO 0.50 0.66 0.54 0.44 -0.34 0.00 0.00 178.44 180.24 2dkl h ASP 50 N -1.00 0.80 0.10 1.25 5.19 -1.98 0.24 116.42 121.02 2dkl h ASP 50 Ca -0.00 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2dkl h ASP 50 Cb 0.34 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2dkl h ASP 50 CO 0.00 0.47 -0.05 1.56 -3.12 0.00 0.00 179.24 178.10 2dkl h GLN 51 N 0.91 -0.12 0.51 3.56 1.08 -1.93 -2.94 115.11 116.18 2dkl h GLN 51 Ca 0.42 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.61 2dkl h GLN 51 Cb 0.33 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2dkl h GLN 51 CO -0.23 0.24 -0.31 0.00 -0.95 0.00 0.00 178.83 177.58 2dkl h ALA 52 N 0.34 -0.79 -0.81 3.87 0.00 -1.02 -2.10 119.26 118.75 2dkl h ALA 52 Ca -0.01 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2dkl h ALA 52 Cb 0.42 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 2dkl h ALA 52 CO 0.02 -0.96 -0.57 0.52 0.00 0.00 0.00 179.25 178.27 2dkl h MET 53 N -0.78 -0.12 -1.00 0.00 2.86 -0.61 0.45 114.93 115.72 2dkl h MET 53 Ca -0.06 0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.73 2dkl h MET 53 Cb 0.64 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.23 2dkl h MET 53 CO 0.06 -0.08 0.62 1.03 1.06 0.00 0.00 176.91 179.60 2dkl h SER 54 N -0.13 0.87 0.20 1.22 0.87 -1.44 0.32 113.55 115.46 2dkl h SER 54 Ca 0.14 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2dkl h SER 54 Cb 0.48 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.33 2dkl h SER 54 CO -0.83 0.42 -0.12 0.00 -0.53 0.00 0.00 176.83 175.77 2dkl h ALA 55 N 1.58 1.55 0.10 6.23 0.00 0.51 0.35 119.26 129.58 2dkl h ALA 55 Ca 0.52 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.99 2dkl h ALA 55 Cb 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2dkl h ALA 55 CO -0.31 0.15 -1.82 -0.07 0.00 0.00 0.00 179.25 177.20 2dkl h LEU 56 N 0.00 0.34 0.16 0.00 3.38 0.13 -3.38 115.31 115.94 2dkl h LEU 56 Ca -0.00 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 2dkl h LEU 56 Cb 0.25 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dkl h LEU 56 CO 0.02 1.59 -0.08 -0.07 0.09 0.00 0.00 178.44 179.99 2dkl h LEU 57 N 0.06 -0.18 -0.90 1.67 3.38 -0.24 -3.26 115.31 115.84 2dkl h LEU 57 Ca -0.35 -0.34 0.34 0.00 0.09 0.00 0.00 57.88 57.62 2dkl h LEU 57 Cb 2.03 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 42.71 2dkl h LEU 57 CO 0.11 0.39 0.54 -1.84 0.09 0.00 0.00 178.44 177.73 2dkl n GLU 58 N -4.91 -0.04 0.17 1.13 -0.00 0.12 0.55 120.64 117.66 2dkl n GLU 58 Ca -0.07 1.00 -0.16 0.00 -0.00 0.00 0.00 57.16 57.93 2dkl n GLU 58 Cb 0.25 -1.88 -0.09 0.00 -0.00 0.00 0.00 31.44 29.72 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 -0.76 -5.55 3.44 1.57 -1.73 -3.41 116.57 110.12 2dkl h LYS 59 Ca 0.66 0.05 -0.64 0.00 -1.87 0.00 0.00 60.65 58.85 2dkl h LYS 59 Cb 1.93 0.17 -0.32 0.00 0.08 0.00 0.00 32.23 34.10 2dkl h LYS 59 CO -0.47 -0.51 -0.87 0.21 -0.57 0.00 0.00 179.45 177.25 2dkl s LYS 60 N -5.86 2.38 -0.58 3.15 2.47 0.19 -5.09 119.74 116.39 2dkl s LYS 60 Ca -0.17 -0.78 -0.26 0.00 -1.56 0.00 0.00 55.97 53.21 2dkl s LYS 60 Cb 0.06 -1.96 0.04 0.00 -1.46 0.00 0.00 37.83 34.51 2dkl s LYS 60 CO 0.62 0.27 1.06 0.08 0.16 0.00 0.00 175.35 177.54 2dkl s VAL 61 N 0.07 4.19 0.54 4.02 1.01 -1.26 -4.75 120.40 124.22 2dkl s VAL 61 Ca -0.08 0.48 0.04 0.00 0.00 0.00 0.00 61.98 62.42 2dkl s VAL 61 Cb -0.14 -4.65 0.03 0.00 0.00 0.00 0.00 36.38 31.61 2dkl s VAL 61 CO 0.04 -1.28 0.30 1.51 0.00 0.00 0.00 175.10 175.67 2dkl s ASP 62 N 3.01 4.50 -0.39 3.32 1.47 -1.26 -5.11 116.67 122.21 2dkl s ASP 62 Ca 0.35 -1.36 -0.12 0.00 1.18 0.00 0.00 52.55 52.60 2dkl s ASP 62 Cb -0.11 0.46 0.03 0.00 -0.34 0.00 0.00 42.92 42.97 2dkl s ASP 62 CO 0.21 -1.05 0.24 0.54 0.68 0.00 0.00 175.17 175.79 2dkl s VAL 63 N -2.80 4.74 0.35 2.11 0.11 -1.26 -5.04 120.40 118.60 2dkl s VAL 63 Ca 0.26 -0.88 -0.07 0.00 -2.93 0.00 0.00 61.98 58.36 2dkl s VAL 63 Cb -0.01 -3.68 0.02 0.00 -1.53 0.00 0.00 36.38 31.17 2dkl s VAL 63 CO 0.16 -0.30 0.56 -1.81 -3.33 0.00 0.00 175.10 170.38 2dkl s ASP 64 N 1.69 0.63 -0.10 3.54 1.01 -1.26 -5.16 116.67 117.03 2dkl s ASP 64 Ca 0.03 -1.37 -0.00 0.00 0.71 0.00 0.00 52.55 51.92 2dkl s ASP 64 Cb -0.20 0.71 0.02 0.00 1.01 0.00 0.00 42.92 44.47 2dkl s ASP 64 CO 0.07 -1.40 -0.07 -0.75 0.21 0.00 0.00 175.17 173.23 2dkl s LYS 65 N -2.90 1.35 0.02 8.23 2.47 -1.26 -5.11 119.74 122.55 2dkl s LYS 65 Ca 0.26 -0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 54.16 2dkl s LYS 65 Cb -0.02 -1.41 -0.07 0.00 -1.46 0.00 0.00 37.83 34.87 2dkl s LYS 65 CO 0.17 -0.22 1.62 1.03 0.16 0.00 0.00 175.35 178.11 2dkl s ARG 66 N 1.55 4.21 0.00 4.03 0.52 -1.26 -4.88 118.95 123.12 2dkl s ARG 66 Ca 0.01 2.23 0.00 0.00 -0.52 0.00 0.00 55.73 57.46 2dkl s ARG 66 Cb -0.13 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.62 2dkl s ARG 66 CO -0.06 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 174.93 2dkl n GLY 67 N 3.99 3.34 2.93 -3.53 0.00 -1.26 -5.17 105.19 105.48 2dkl n GLY 67 Ca 0.16 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2dkl n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkl s LEU 68 N 0.00 1.89 -0.28 0.99 1.43 -1.26 -5.12 118.68 116.33 2dkl s LEU 68 Ca 0.00 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2dkl s LEU 68 Cb 0.00 -0.23 0.12 0.00 0.03 0.00 0.00 46.19 46.11 2dkl s LEU 68 CO 0.00 0.03 0.24 -0.83 0.23 0.00 0.00 176.35 176.02 2dkl s GLY 69 N 0.06 0.05 -0.39 -3.19 0.00 -1.26 -5.10 107.32 97.50 2dkl s GLY 69 Ca -0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 2dkl s GLY 69 CO -0.00 2.43 2.32 -0.62 0.00 0.00 0.00 173.10 177.23 2dkl n VAL 70 N 5.29 0.13 -0.04 1.40 0.31 -1.26 -4.73 118.33 119.44 2dkl n VAL 70 Ca -0.04 -0.54 -0.08 0.00 -0.01 0.00 0.00 64.34 63.68 2dkl n VAL 70 Cb 0.45 -2.40 -0.03 0.00 -0.91 0.00 0.00 33.84 30.96 2dkl n VAL 70 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2dkl n THR 71 N 7.76 0.42 -3.11 2.52 -1.04 -1.26 -4.90 114.28 114.67 2dkl n THR 71 Ca 0.37 -0.10 -0.45 0.00 -2.04 0.00 0.00 64.05 61.82 2dkl n THR 71 Cb 0.43 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 2dkl n THR 71 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2dkl s ASP 72 N -5.68 6.62 -0.26 8.00 1.01 -1.26 -5.00 116.67 120.11 2dkl s ASP 72 Ca -0.10 -2.21 -0.33 0.00 0.71 0.00 0.00 52.55 50.61 2dkl s ASP 72 Cb 0.04 -2.31 -0.10 0.00 1.01 0.00 0.00 42.92 41.56 2dkl s ASP 72 CO 0.13 -0.88 2.11 1.41 0.21 0.00 0.00 175.17 178.15 2dkl n HIS 73 N 5.52 1.87 -1.86 4.23 8.25 -1.26 -4.83 115.22 127.14 2dkl n HIS 73 Ca 0.15 0.13 -0.36 0.00 -0.26 0.00 0.00 57.72 57.38 2dkl n HIS 73 Cb 0.47 -2.61 -0.03 0.00 1.12 0.00 0.00 29.99 28.94 2dkl n HIS 73 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2dkl s ASN 74 N 6.69 4.91 0.20 0.41 -0.87 -1.26 -4.75 114.94 120.27 2dkl s ASN 74 Ca 1.03 0.50 0.11 0.00 -1.57 0.00 0.00 52.86 52.94 2dkl s ASN 74 Cb -0.70 -2.52 -0.04 0.00 -0.02 0.00 0.00 41.25 37.96 2dkl s ASN 74 CO 0.47 -2.64 -0.23 -0.83 -2.57 0.00 0.00 177.10 171.29 2dkl s GLY 75 N 9.61 1.71 -0.02 0.66 0.00 -1.26 -5.06 107.32 112.96 2dkl s GLY 75 Ca 0.79 -1.66 -0.22 0.00 0.00 0.00 0.00 44.72 43.63 2dkl s GLY 75 CO 0.20 -1.69 1.01 1.98 0.00 0.00 0.00 173.10 174.60 2dkl h MET 76 N 3.11 -0.38 -3.65 2.90 4.05 -1.96 -3.47 114.93 115.53 2dkl h MET 76 Ca -0.46 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 58.93 2dkl h MET 76 Cb 1.21 0.09 -0.10 0.00 -0.80 0.00 0.00 31.60 32.00 2dkl h MET 76 CO 0.49 -0.04 -0.13 0.00 0.23 0.00 0.00 176.91 177.46 2dkl s ALA 77 N -4.28 -0.28 -0.05 0.39 0.00 -1.26 -5.08 121.76 111.20 2dkl s ALA 77 Ca -0.13 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 2dkl s ALA 77 Cb 0.01 1.02 0.07 0.00 0.00 0.00 0.00 23.12 24.22 2dkl s ALA 77 CO 0.47 -0.82 0.65 0.00 0.00 0.00 0.00 175.76 176.06 2dkl s ALA 78 N -3.99 -1.70 0.13 0.00 0.00 -1.26 -4.91 121.76 110.03 2dkl s ALA 78 Ca 0.20 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 2dkl s ALA 78 Cb -0.00 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.20 2dkl s ALA 78 CO 0.06 -0.36 0.60 0.21 0.00 0.00 0.00 175.76 176.27 2dkl s LYS 79 N -1.21 1.24 0.06 0.00 2.20 -1.26 -5.03 119.74 115.74 2dkl s LYS 79 Ca -0.11 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 54.83 2dkl s LYS 79 Cb -0.00 0.57 0.09 0.00 -1.51 0.00 0.00 37.83 36.97 2dkl s LYS 79 CO 0.09 -0.52 1.01 0.45 -0.36 0.00 0.00 175.35 176.02 2dkl s SER 80 N -2.56 -0.21 0.00 1.43 0.15 -1.26 -5.12 113.70 106.13 2dkl s SER 80 Ca -0.00 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2dkl s SER 80 Cb -0.01 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dkl s SER 80 CO -0.10 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2dkl n GLY 81 N -0.38 4.01 3.77 9.45 0.00 -1.26 -5.15 105.19 115.62 2dkl n GLY 81 Ca -0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.37 2.48 -0.06 1.61 0.04 -1.26 -5.06 135.00 130.38 2dkl s PRO 82 Ca 0.00 1.26 -0.32 0.00 0.04 0.00 0.00 61.00 61.99 2dkl s PRO 82 Cb 0.00 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.74 2dkl s PRO 82 CO 0.00 -1.48 1.22 -1.54 0.04 0.00 0.00 177.00 175.24 2dkl s SER 83 N -3.05 -0.11 0.67 6.66 1.04 -1.26 -5.18 113.70 112.46 2dkl s SER 83 Ca 0.64 -0.10 0.03 0.00 0.48 0.00 0.00 55.95 57.00 2dkl s SER 83 Cb -0.19 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.24 2dkl s SER 83 CO 0.50 -0.33 0.92 -0.44 0.98 0.00 0.00 173.24 174.86 2dkl s SER 84 N -2.68 4.62 0.00 7.02 0.01 -1.26 -5.36 113.70 116.06 2dkl s SER 84 Ca 0.12 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.81 2dkl s SER 84 Cb 0.02 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.38 2dkl s SER 84 CO -0.04 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.55