#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 5.81 -0.09 1.61 0.15 -1.26 -4.92 113.70 115.00 2dkl s SER 2 Ca 0.00 -2.32 -0.26 0.00 0.70 0.00 0.00 55.95 54.07 2dkl s SER 2 Cb 0.00 -2.01 -0.26 0.00 -1.71 0.00 0.00 66.02 62.04 2dkl s SER 2 CO 0.00 -0.59 0.90 -1.28 1.20 0.00 0.00 173.24 173.47 2dkl h SER 3 N 7.95 0.14 0.00 5.45 0.87 -2.14 -3.49 113.55 122.33 2dkl h SER 3 Ca -0.10 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.57 2dkl h SER 3 Cb 1.03 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 2dkl h SER 3 CO 0.80 1.02 0.00 0.61 -0.53 0.00 0.00 176.83 178.73 2dkl n GLY 4 N 1.37 0.79 3.75 5.77 0.00 -1.26 -5.10 105.19 110.51 2dkl n GLY 4 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.46 5.34 0.13 1.61 1.04 -1.26 -4.93 113.70 115.16 2dkl s SER 5 Ca 0.00 2.72 -0.31 0.00 0.48 0.00 0.00 55.95 58.84 2dkl s SER 5 Cb 0.00 -2.63 -0.08 0.00 0.10 0.00 0.00 66.02 63.41 2dkl s SER 5 CO 0.00 -1.52 1.36 -0.44 0.98 0.00 0.00 173.24 173.62 2dkl s SER 6 N -1.01 6.86 0.00 7.02 0.01 -1.26 -4.85 113.70 120.48 2dkl s SER 6 Ca 0.71 2.32 0.00 0.00 1.31 0.00 0.00 55.95 60.29 2dkl s SER 6 Cb -0.39 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.25 2dkl s SER 6 CO 0.46 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2dkl n GLY 7 N 3.22 -0.04 2.63 3.44 0.00 -1.26 -5.05 105.19 108.14 2dkl n GLY 7 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.51 1.14 -0.00 -0.02 0.00 -1.26 -4.98 107.32 97.68 2dkl s GLY 8 Ca 0.00 -1.95 -0.23 0.00 0.00 0.00 0.00 44.72 42.54 2dkl s GLY 8 CO 0.00 1.77 1.21 0.00 0.00 0.00 0.00 173.10 176.08 2dkl h MET 9 N 7.41 0.24 -6.25 2.90 3.00 -2.00 -3.43 114.93 116.78 2dkl h MET 9 Ca -0.05 -0.16 -0.60 0.00 0.00 0.00 0.00 59.70 58.89 2dkl h MET 9 Cb 0.97 0.03 0.01 0.00 0.00 0.00 0.00 31.60 32.61 2dkl h MET 9 CO 0.42 0.77 1.18 1.17 0.00 0.00 0.00 176.91 180.45 2dkl n LYS 10 N -4.58 2.26 -3.01 -0.10 3.00 -1.26 -4.94 118.16 109.53 2dkl n LYS 10 Ca -0.08 0.81 -0.39 0.00 -0.00 0.00 0.00 58.31 58.65 2dkl n LYS 10 Cb 0.40 -2.77 -0.06 0.00 0.00 0.00 0.00 35.03 32.61 2dkl n LYS 10 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 2dkl s THR 11 N 4.71 4.41 -0.56 3.15 -1.32 -1.26 -5.04 115.64 119.73 2dkl s THR 11 Ca 0.94 1.65 -0.00 0.00 -1.21 0.00 0.00 61.69 63.06 2dkl s THR 11 Cb -0.61 -4.11 0.14 0.00 -1.51 0.00 0.00 72.50 66.41 2dkl s THR 11 CO 0.48 0.52 0.35 -0.94 -2.21 0.00 0.00 174.62 172.82 2dkl s SER 12 N -1.12 4.93 0.22 8.08 1.04 -1.26 -5.05 113.70 120.54 2dkl s SER 12 Ca 0.35 -2.81 0.00 0.00 0.48 0.00 0.00 55.95 53.97 2dkl s SER 12 Cb -0.23 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.12 2dkl s SER 12 CO 0.25 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2dkl n GLY 13 N 3.49 -1.96 3.31 7.32 0.00 -1.26 -4.97 105.19 111.12 2dkl n GLY 13 Ca 0.06 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 2dkl n GLY 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dkl s LYS 14 N -1.01 1.21 0.00 1.61 -2.85 -1.26 -5.05 119.74 112.39 2dkl s LYS 14 Ca 0.00 -1.43 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 2dkl s LYS 14 Cb 0.00 -1.09 0.00 0.00 -2.06 0.00 0.00 37.83 34.68 2dkl s LYS 14 CO 0.00 0.20 0.00 1.04 0.10 0.00 0.00 175.35 176.69 2dkl n GLN 15 N 0.09 1.91 -4.12 1.78 3.00 -1.26 -5.11 117.38 113.67 2dkl n GLN 15 Ca -0.12 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.75 2dkl n GLN 15 Cb 0.58 -0.86 -0.07 0.00 0.00 0.00 0.00 30.24 29.89 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 -2.88 0.30 -0.13 1.08 1.01 -1.26 -5.07 116.67 109.72 2dkl s ASP 16 Ca 0.00 -1.27 0.10 0.00 0.71 0.00 0.00 52.55 52.09 2dkl s ASP 16 Cb 0.00 0.51 -0.23 0.00 1.01 0.00 0.00 42.92 44.21 2dkl s ASP 16 CO 0.00 -1.04 0.33 -1.84 0.21 0.00 0.00 175.17 172.83 2dkl n GLU 17 N -0.38 0.67 -0.08 8.23 0.28 -1.26 -4.27 120.64 123.83 2dkl n GLU 17 Ca 0.01 0.18 -0.07 0.00 -0.16 0.00 0.00 57.16 57.12 2dkl n GLU 17 Cb 0.64 -1.66 -0.01 0.00 1.43 0.00 0.00 31.44 31.84 2dkl n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dkl h ALA 18 N 0.72 -0.01 -0.79 -1.84 0.00 -2.01 0.17 119.26 115.50 2dkl h ALA 18 Ca -0.42 0.11 0.13 0.00 0.00 0.00 0.00 54.91 54.72 2dkl h ALA 18 Cb 2.07 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 20.28 2dkl h ALA 18 CO 0.05 -0.61 0.52 0.11 0.00 0.00 0.00 179.25 179.32 2dkl h TRP 19 N -0.18 0.64 -0.13 0.00 5.08 -2.01 -1.76 115.95 117.59 2dkl h TRP 19 Ca 0.16 0.02 -0.01 0.00 1.08 0.00 0.00 58.89 60.14 2dkl h TRP 19 Cb 0.43 -0.20 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 2dkl h TRP 19 CO -0.40 0.26 0.06 0.82 -1.28 0.00 0.00 178.44 177.90 2dkl h ILE 20 N 0.56 1.14 -0.78 0.12 2.04 -1.17 -2.94 117.51 116.49 2dkl h ILE 20 Ca 0.38 -0.42 0.28 0.00 1.00 0.00 0.00 64.86 66.10 2dkl h ILE 20 Cb 0.70 1.18 -0.14 0.00 -0.74 0.00 0.00 36.82 37.81 2dkl h ILE 20 CO -0.14 0.13 0.24 0.80 0.00 0.00 0.00 178.15 179.17 2dkl n MET 21 N -4.90 -0.05 -0.10 2.37 1.56 -0.66 0.18 117.12 115.51 2dkl n MET 21 Ca -0.05 1.12 -0.06 0.00 -0.27 0.00 0.00 57.70 58.44 2dkl n MET 21 Cb 0.11 -1.90 0.01 0.00 2.15 0.00 0.00 33.22 33.59 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 0.08 -0.99 6.12 0.02 -1.60 -2.78 113.55 114.40 2dkl h SER 22 Ca 0.58 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.69 2dkl h SER 22 Cb 1.40 0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.85 2dkl h SER 22 CO -0.66 0.08 -0.51 0.54 -1.14 0.00 0.00 176.83 175.14 2dkl n ARG 23 N -5.05 -0.36 -0.30 3.45 1.74 0.48 0.52 116.66 117.15 2dkl n ARG 23 Ca 0.01 1.50 -0.00 0.00 -0.77 0.00 0.00 57.85 58.60 2dkl n ARG 23 Cb 0.14 -2.22 0.13 0.00 -1.02 0.00 0.00 32.46 29.48 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 0.80 -0.22 0.55 3.38 -1.53 -2.54 115.31 115.76 2dkl h LEU 24 Ca 0.23 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.27 2dkl h LEU 24 Cb 0.48 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2dkl h LEU 24 CO -0.95 0.52 -0.12 0.40 0.09 0.00 0.00 178.44 178.39 2dkl h ILE 25 N 0.94 0.64 -0.75 1.22 1.08 0.33 -2.86 117.51 118.11 2dkl h ILE 25 Ca 0.36 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.90 2dkl h ILE 25 Cb 0.14 0.64 -0.10 0.00 -3.07 0.00 0.00 36.82 34.44 2dkl h ILE 25 CO -0.16 0.00 -0.50 0.50 -0.69 0.00 0.00 178.15 177.30 2dkl h LYS 26 N -0.10 -0.07 -1.05 2.37 1.63 -0.63 0.63 116.57 119.35 2dkl h LYS 26 Ca 0.12 0.00 0.40 0.00 -0.85 0.00 0.00 60.65 60.33 2dkl h LYS 26 Cb 0.27 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 31.77 2dkl h LYS 26 CO -0.28 -0.05 0.62 1.04 -3.45 0.00 0.00 179.45 177.34 2dkl n GLN 27 N -4.93 -0.04 -0.06 1.90 1.13 -1.08 0.06 117.38 114.35 2dkl n GLN 27 Ca 0.01 1.20 -0.11 0.00 -1.94 0.00 0.00 57.00 56.16 2dkl n GLN 27 Cb 0.24 -2.24 -0.10 0.00 0.11 0.00 0.00 30.24 28.25 2dkl n GLN 27 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2dkl h LEU 28 N 0.00 -0.00 -1.94 1.08 4.07 0.09 -3.20 115.31 115.42 2dkl h LEU 28 Ca 0.78 -0.75 0.43 0.00 0.08 0.00 0.00 57.88 58.42 2dkl h LEU 28 Cb 2.27 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.95 2dkl h LEU 28 CO -0.58 0.87 1.09 0.71 -1.08 0.00 0.00 178.44 179.45 2dkl h THR 29 N -0.99 0.22 0.06 0.22 1.35 0.19 1.48 112.91 115.43 2dkl h THR 29 Ca -0.00 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.62 2dkl h THR 29 Cb 0.75 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 2dkl h THR 29 CO 0.00 0.00 -1.13 -0.78 -0.25 0.00 0.00 175.52 173.36 2dkl h ASP 30 N 0.00 0.19 0.29 5.36 1.82 -1.27 -3.38 116.42 119.43 2dkl h ASP 30 Ca 0.70 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 57.12 2dkl h ASP 30 Cb 2.87 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 42.82 2dkl h ASP 30 CO -0.01 1.16 -0.14 0.24 -1.61 0.00 0.00 179.24 178.89 2dkl h MET 31 N 0.03 -0.38 0.00 0.28 2.86 0.21 -3.47 114.93 114.46 2dkl h MET 31 Ca -0.07 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dkl h MET 31 Cb 1.87 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.61 2dkl h MET 31 CO 0.16 -0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.29 2dkl n GLY 32 N -0.43 0.00 2.92 8.32 0.00 -0.92 -5.12 105.19 109.96 2dkl n GLY 32 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 0.05 0.92 1.61 0.08 -1.24 -5.06 117.98 114.35 2dkl s PHE 33 Ca 0.00 -0.10 -0.12 0.00 0.12 0.00 0.00 56.93 56.83 2dkl s PHE 33 Cb 0.00 -0.04 0.14 0.00 -0.57 0.00 0.00 43.02 42.55 2dkl s PHE 33 CO 0.00 -0.07 1.09 -1.25 -0.10 0.00 0.00 175.22 174.89 2dkl s PRO 34 N -0.41 1.04 0.19 0.24 0.04 -1.26 -3.51 135.00 131.32 2dkl s PRO 34 Ca -0.05 0.74 0.04 0.00 0.04 0.00 0.00 61.00 61.78 2dkl s PRO 34 Cb -0.03 -1.79 0.07 0.00 0.04 0.00 0.00 34.50 32.79 2dkl s PRO 34 CO -0.00 -2.37 1.43 0.07 0.04 0.00 0.00 177.00 176.17 2dkl h ARG 35 N -1.64 0.18 -0.48 4.56 0.11 -1.97 -3.08 114.38 112.05 2dkl h ARG 35 Ca -0.51 -0.17 0.04 0.00 0.10 0.00 0.00 59.98 59.44 2dkl h ARG 35 Cb 1.30 0.05 -0.06 0.00 1.11 0.00 0.00 29.97 32.36 2dkl h ARG 35 CO 0.55 0.89 -0.29 0.93 0.10 0.00 0.00 179.97 182.15 2dkl h GLU 36 N 0.11 -0.00 0.05 0.08 5.08 -2.00 0.35 114.58 118.24 2dkl h GLU 36 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2dkl h GLU 36 Cb 1.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2dkl h GLU 36 CO 0.12 -0.00 -0.02 -1.00 -1.00 0.00 0.00 179.01 177.10 2dkl h PRO 37 N -0.00 -0.06 -0.43 2.33 0.13 -1.98 -2.72 132.00 129.27 2dkl h PRO 37 Ca 0.08 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.34 2dkl h PRO 37 Cb 0.20 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.33 2dkl h PRO 37 CO -0.46 0.40 0.83 0.00 -0.23 0.00 0.00 178.00 178.54 2dkl h ALA 38 N 0.36 2.22 0.00 -0.56 0.00 -1.38 0.23 119.26 120.13 2dkl h ALA 38 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2dkl h ALA 38 Cb 0.49 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2dkl h ALA 38 CO 0.01 -1.05 -0.91 -1.91 0.00 0.00 0.00 179.25 175.39 2dkl n GLU 39 N -3.07 0.51 -0.26 0.00 2.13 0.08 -3.38 120.64 116.65 2dkl n GLU 39 Ca 0.09 0.55 0.02 0.00 0.66 0.00 0.00 57.16 58.47 2dkl n GLU 39 Cb 0.98 -1.71 0.14 0.00 0.27 0.00 0.00 31.44 31.12 2dkl n GLU 39 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 2dkl h GLU 40 N -1.00 0.65 0.83 5.31 4.11 -0.72 -2.79 114.58 120.97 2dkl h GLU 40 Ca -0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.17 2dkl h GLU 40 Cb 0.91 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2dkl h GLU 40 CO -0.11 0.43 -0.40 0.00 0.07 0.00 0.00 179.01 179.00 2dkl h ALA 41 N 1.43 -1.20 -0.80 1.06 0.00 -0.83 -3.16 119.26 115.76 2dkl h ALA 41 Ca 0.36 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2dkl h ALA 41 Cb 0.35 0.43 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 2dkl h ALA 41 CO -0.25 -1.11 -0.32 1.28 0.00 0.00 0.00 179.25 178.84 2dkl n LEU 42 N -5.27 -0.53 -0.30 0.00 4.77 -1.11 0.18 117.00 114.73 2dkl n LEU 42 Ca -0.14 1.40 0.13 0.00 -0.03 0.00 0.00 56.01 57.38 2dkl n LEU 42 Cb 0.44 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.52 2dkl n LEU 42 CO 0.33 -1.25 1.01 0.11 -1.33 0.00 0.00 177.39 176.26 2dkl h LYS 43 N 0.00 0.31 0.00 3.23 1.79 -1.47 0.73 116.57 121.17 2dkl h LYS 43 Ca 0.27 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2dkl h LYS 43 Cb 0.47 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 2dkl h LYS 43 CO -0.79 0.21 -0.35 0.77 -1.08 0.00 0.00 179.45 178.21 2dkl h SER 44 N 0.32 0.00 -0.75 0.86 0.02 0.19 -3.29 113.55 110.91 2dkl h SER 44 Ca 0.56 -0.04 -0.42 0.00 -0.84 0.00 0.00 61.79 61.05 2dkl h SER 44 Cb 1.10 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.42 2dkl h SER 44 CO -0.57 0.02 0.54 0.59 -1.14 0.00 0.00 176.83 176.27 2dkl n ASN 45 N -2.62 4.60 -3.48 3.07 3.02 0.24 -4.86 115.26 115.23 2dkl n ASN 45 Ca 0.03 -3.27 -0.21 0.00 -0.03 0.00 0.00 54.58 51.10 2dkl n ASN 45 Cb 0.49 -0.83 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.61 -1.74 -3.11 6.41 3.02 -0.97 0.41 115.26 118.68 2dkl n ASN 46 Ca 0.45 -0.36 -0.15 0.00 -0.03 0.00 0.00 54.58 54.50 2dkl n ASN 46 Cb 1.16 -1.56 0.08 0.00 -0.61 0.00 0.00 39.78 38.85 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 -3.32 -5.08 -4.48 3.52 2.81 -0.27 -5.03 117.12 105.28 2dkl n MET 47 Ca 0.05 0.75 -0.29 0.00 -1.81 0.00 0.00 57.70 56.39 2dkl n MET 47 Cb 0.49 -5.42 -0.13 0.00 -0.71 0.00 0.00 33.22 27.45 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 -4.03 3.45 -0.13 7.83 0.01 0.17 -5.07 114.94 117.16 2dkl s ASN 48 Ca 0.08 -0.66 -0.07 0.00 -0.71 0.00 0.00 52.86 51.49 2dkl s ASN 48 Cb -0.01 -0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.30 2dkl s ASN 48 CO 0.64 0.20 -0.13 0.25 -1.51 0.00 0.00 177.10 176.55 2dkl h LEU 49 N 4.05 0.00 -0.84 0.60 5.85 -1.96 -3.01 115.31 120.01 2dkl h LEU 49 Ca -0.50 -0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.34 2dkl h LEU 49 Cb 1.16 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 2dkl h LEU 49 CO 0.42 0.71 0.46 0.44 -0.34 0.00 0.00 178.44 180.12 2dkl h ASP 50 N -1.00 0.60 -0.04 1.25 3.32 -1.98 0.18 116.42 118.75 2dkl h ASP 50 Ca -0.00 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2dkl h ASP 50 Cb 0.41 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2dkl h ASP 50 CO -0.00 0.29 -0.01 1.56 -1.72 0.00 0.00 179.24 179.37 2dkl h GLN 51 N 0.70 0.07 0.50 3.56 1.08 -1.92 -2.70 115.11 116.40 2dkl h GLN 51 Ca 0.44 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.59 2dkl h GLN 51 Cb 0.53 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2dkl h GLN 51 CO -0.31 0.39 -0.31 0.00 -0.95 0.00 0.00 178.83 177.65 2dkl h ALA 52 N 0.67 -0.78 -0.34 3.87 0.00 -1.25 -1.53 119.26 119.91 2dkl h ALA 52 Ca 0.01 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2dkl h ALA 52 Cb 0.37 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2dkl h ALA 52 CO 0.00 -0.95 -0.48 0.52 0.00 0.00 0.00 179.25 178.34 2dkl h MET 53 N -0.77 -0.34 -0.96 0.00 2.86 -0.72 0.61 114.93 115.61 2dkl h MET 53 Ca -0.06 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.79 2dkl h MET 53 Cb 0.63 0.08 -0.11 0.00 0.06 0.00 0.00 31.60 32.26 2dkl h MET 53 CO 0.05 -0.22 0.55 1.03 1.06 0.00 0.00 176.91 179.37 2dkl h SER 54 N -0.35 0.67 -0.53 1.22 0.87 -1.44 0.34 113.55 114.33 2dkl h SER 54 Ca 0.06 0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2dkl h SER 54 Cb 0.52 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2dkl h SER 54 CO -0.51 0.22 0.35 0.00 -0.53 0.00 0.00 176.83 176.36 2dkl h ALA 55 N 1.64 1.83 0.20 6.23 0.00 0.16 0.14 119.26 129.45 2dkl h ALA 55 Ca 0.56 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 55.11 2dkl h ALA 55 Cb 0.89 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.56 2dkl h ALA 55 CO -0.40 0.10 -1.63 -0.07 0.00 0.00 0.00 179.25 177.24 2dkl h LEU 56 N 0.53 0.66 -0.41 0.00 3.38 0.60 -3.33 115.31 116.73 2dkl h LEU 56 Ca 0.22 -0.93 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 2dkl h LEU 56 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2dkl h LEU 56 CO -0.06 1.75 0.20 -0.07 0.09 0.00 0.00 178.44 180.35 2dkl h LEU 57 N 0.07 0.54 -0.24 1.67 3.38 -0.27 -2.51 115.31 117.94 2dkl h LEU 57 Ca -0.32 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.57 2dkl h LEU 57 Cb 2.08 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 42.62 2dkl h LEU 57 CO 0.19 0.51 -0.52 -0.33 0.09 0.00 0.00 178.44 178.38 2dkl h GLU 58 N 0.52 -0.48 0.36 1.13 4.39 -0.87 -2.66 114.58 116.97 2dkl h GLU 58 Ca 0.14 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2dkl h GLU 58 Cb 0.11 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2dkl h GLU 58 CO -0.02 -0.32 -0.49 0.87 -1.16 0.00 0.00 179.01 177.89 2dkl h LYS 59 N -0.50 -0.86 -7.31 2.33 1.57 -1.66 -3.43 116.57 106.72 2dkl h LYS 59 Ca 0.06 0.06 -0.44 0.00 -1.87 0.00 0.00 60.65 58.46 2dkl h LYS 59 Cb 0.64 0.19 0.18 0.00 0.08 0.00 0.00 32.23 33.33 2dkl h LYS 59 CO -0.49 -0.57 0.13 0.15 -0.57 0.00 0.00 179.45 178.10 2dkl s LYS 60 N -5.87 -0.31 -0.20 3.15 -0.14 -0.95 -5.02 119.74 110.39 2dkl s LYS 60 Ca -0.17 0.44 -0.08 0.00 -1.36 0.00 0.00 55.97 54.80 2dkl s LYS 60 Cb 0.05 -1.66 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 2dkl s LYS 60 CO 0.61 -3.21 0.09 0.54 -0.76 0.00 0.00 175.35 172.62 2dkl s VAL 61 N -2.85 4.96 0.41 3.17 0.11 -1.26 -4.84 120.40 120.10 2dkl s VAL 61 Ca 0.67 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.83 2dkl s VAL 61 Cb -0.18 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.36 2dkl s VAL 61 CO 0.59 0.42 0.24 1.51 -3.33 0.00 0.00 175.10 174.53 2dkl s ASP 62 N 0.64 4.62 0.00 3.54 -4.77 -1.26 -5.07 116.67 114.37 2dkl s ASP 62 Ca 0.05 -0.97 0.00 0.00 -3.30 0.00 0.00 52.55 48.33 2dkl s ASP 62 Cb -0.13 -0.51 0.00 0.00 -1.09 0.00 0.00 42.92 41.19 2dkl s ASP 62 CO 0.01 -0.57 0.00 0.52 0.70 0.00 0.00 175.17 175.83 2dkl n VAL 63 N -1.33 0.00 -3.98 2.11 0.31 -1.26 -5.08 118.33 109.10 2dkl n VAL 63 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2dkl n VAL 63 Cb 0.64 -0.73 -0.15 0.00 -0.91 0.00 0.00 33.84 32.69 2dkl n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dkl s ASP 64 N -4.27 0.30 0.52 4.52 -1.08 -1.26 -5.14 116.67 110.27 2dkl s ASP 64 Ca 0.00 -0.04 -0.22 0.00 -0.52 0.00 0.00 52.55 51.77 2dkl s ASP 64 Cb 0.00 -0.07 -0.06 0.00 -1.46 0.00 0.00 42.92 41.33 2dkl s ASP 64 CO 0.00 0.00 1.22 0.29 0.52 0.00 0.00 175.17 177.20 2dkl n LYS 65 N 3.25 1.52 -3.52 4.34 5.02 -1.26 -5.02 118.16 122.49 2dkl n LYS 65 Ca -0.15 0.56 -0.16 0.00 -2.02 0.00 0.00 58.31 56.53 2dkl n LYS 65 Cb 0.57 -2.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.14 2dkl n LYS 65 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dkl s ARG 66 N -2.64 1.08 0.00 1.97 3.52 -1.26 -5.18 118.95 116.44 2dkl s ARG 66 Ca 0.70 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 56.37 2dkl s ARG 66 Cb -0.45 0.50 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2dkl s ARG 66 CO 0.51 -0.37 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 2dkl n GLY 67 N 0.66 -1.24 0.18 8.12 0.00 -1.26 -5.04 105.19 106.62 2dkl n GLY 67 Ca -0.19 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.73 2dkl n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dkl h LEU 68 N 0.00 -0.32 0.00 0.99 -0.00 -2.02 -3.49 115.31 110.46 2dkl h LEU 68 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 2dkl h LEU 68 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2dkl h LEU 68 CO 0.00 -0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.02 2dkl n GLY 69 N -0.56 -0.50 3.86 0.83 0.00 -1.26 -5.14 105.19 102.41 2dkl n GLY 69 Ca -0.10 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.03 2dkl n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkl s VAL 70 N 0.00 4.96 0.36 1.61 0.11 -1.26 -5.03 120.40 121.14 2dkl s VAL 70 Ca 0.00 0.64 -0.27 0.00 -2.93 0.00 0.00 61.98 59.43 2dkl s VAL 70 Cb 0.00 -3.69 -0.12 0.00 -1.53 0.00 0.00 36.38 31.04 2dkl s VAL 70 CO 0.00 0.23 1.11 1.07 -3.33 0.00 0.00 175.10 174.17 2dkl n THR 71 N 0.74 2.17 -1.40 5.04 5.66 -1.26 -4.68 114.28 120.54 2dkl n THR 71 Ca -0.06 -0.50 -0.49 0.00 -3.05 0.00 0.00 64.05 59.95 2dkl n THR 71 Cb 0.52 -1.25 -0.12 0.00 -1.55 0.00 0.00 70.33 67.93 2dkl n THR 71 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2dkl n ASP 72 N 0.79 0.82 -4.49 1.09 2.03 -1.26 -4.85 116.55 110.68 2dkl n ASP 72 Ca 0.08 0.34 -0.31 0.00 0.52 0.00 0.00 54.79 55.42 2dkl n ASP 72 Cb 0.36 -1.00 0.17 0.00 -0.72 0.00 0.00 41.12 39.93 2dkl n ASP 72 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2dkl n HIS 73 N 9.69 -0.61 -3.64 -0.67 -0.00 -1.26 -5.05 115.22 113.68 2dkl n HIS 73 Ca 0.57 0.20 -0.04 0.00 -0.00 0.00 0.00 57.72 58.44 2dkl n HIS 73 Cb 0.06 -1.81 -0.07 0.00 -0.00 0.00 0.00 29.99 28.18 2dkl n HIS 73 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2dkl s ASN 74 N -2.29 -0.59 -0.21 0.26 3.84 -1.26 -5.18 114.94 109.51 2dkl s ASN 74 Ca 0.63 0.97 -0.27 0.00 0.21 0.00 0.00 52.86 54.39 2dkl s ASN 74 Cb -0.21 1.21 0.10 0.00 -0.55 0.00 0.00 41.25 41.80 2dkl s ASN 74 CO 0.64 -0.15 0.90 -0.83 -2.79 0.00 0.00 177.10 174.86 2dkl s GLY 75 N 1.26 -0.33 0.15 1.21 0.00 -1.26 -5.18 107.32 103.17 2dkl s GLY 75 Ca -0.08 2.17 0.03 0.00 0.00 0.00 0.00 44.72 46.84 2dkl s GLY 75 CO -0.15 1.49 -0.05 -3.16 0.00 0.00 0.00 173.10 171.24 2dkl s MET 76 N -0.27 1.05 -0.29 2.90 0.23 -1.26 -5.16 119.30 116.50 2dkl s MET 76 Ca -0.01 -1.47 -0.22 0.00 -1.03 0.00 0.00 55.69 52.96 2dkl s MET 76 Cb -0.03 -0.42 0.17 0.00 -1.53 0.00 0.00 34.83 33.02 2dkl s MET 76 CO -0.00 -0.03 1.24 0.00 -2.03 0.00 0.00 175.02 174.20 2dkl s ALA 77 N -3.50 -2.27 -0.19 3.16 0.00 -1.26 -5.18 121.76 112.51 2dkl s ALA 77 Ca 0.19 1.87 -0.31 0.00 0.00 0.00 0.00 51.96 53.70 2dkl s ALA 77 Cb 0.05 -1.74 0.15 0.00 0.00 0.00 0.00 23.12 21.57 2dkl s ALA 77 CO 0.01 -0.21 1.16 0.00 0.00 0.00 0.00 175.76 176.72 2dkl s ALA 78 N 0.49 -2.02 -0.07 0.00 0.00 -1.26 -5.08 121.76 113.81 2dkl s ALA 78 Ca 0.01 1.63 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 2dkl s ALA 78 Cb -0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2dkl s ALA 78 CO -0.12 -0.42 -0.08 1.17 0.00 0.00 0.00 175.76 176.31 2dkl n LYS 79 N 0.31 0.16 0.07 0.00 4.81 -1.26 -4.76 118.16 117.49 2dkl n LYS 79 Ca -0.04 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.33 2dkl n LYS 79 Cb 0.59 -0.89 -0.08 0.00 0.02 0.00 0.00 35.03 34.66 2dkl n LYS 79 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2dkl h SER 80 N -0.17 -0.11 -1.62 3.14 0.87 -2.08 -3.48 113.55 110.10 2dkl h SER 80 Ca -0.18 -0.15 0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2dkl h SER 80 Cb 1.19 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 2dkl h SER 80 CO -0.08 0.09 -0.26 0.61 -0.53 0.00 0.00 176.83 176.66 2dkl n GLY 81 N -0.68 -0.95 3.73 5.77 0.00 -1.26 -4.65 105.19 107.14 2dkl n GLY 81 Ca -0.08 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 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 -1.53 4.37 0.09 1.61 0.04 -1.26 -4.95 135.00 133.37 2dkl s PRO 82 Ca 0.00 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 2dkl s PRO 82 Cb 0.00 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 31.24 2dkl s PRO 82 CO 0.00 -0.33 1.49 1.03 0.04 0.00 0.00 177.00 179.23 2dkl h SER 83 N 6.07 0.56 -3.25 6.66 0.87 -2.02 -3.42 113.55 119.02 2dkl h SER 83 Ca -0.43 -0.37 -0.55 0.00 -1.23 0.00 0.00 61.79 59.20 2dkl h SER 83 Cb 1.21 -0.15 -0.35 0.00 -0.44 0.00 0.00 62.40 62.67 2dkl h SER 83 CO 0.81 0.80 -0.82 -0.55 -0.53 0.00 0.00 176.83 176.54 2dkl s SER 84 N -6.16 2.25 0.00 6.23 0.15 -1.26 -5.29 113.70 109.62 2dkl s SER 84 Ca -0.13 -0.37 0.18 0.00 0.70 0.00 0.00 55.95 56.33 2dkl s SER 84 Cb 0.08 -0.97 1.08 0.00 -1.71 0.00 0.00 66.02 64.50 2dkl s SER 84 CO 0.78 -0.03 1.47 0.61 1.20 0.00 0.00 173.24 177.27