#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dky s SER 2 N 0.00 1.07 -0.44 1.61 0.15 -1.26 -5.07 113.70 109.76 2dky s SER 2 Ca 0.00 -1.56 0.04 0.00 0.70 0.00 0.00 55.95 55.13 2dky s SER 2 Cb 0.00 0.57 0.45 0.00 -1.71 0.00 0.00 66.02 65.33 2dky s SER 2 CO 0.00 -1.12 1.44 -1.54 1.20 0.00 0.00 173.24 173.22 2dky n SER 3 N -1.24 5.75 -0.42 5.45 3.41 -1.26 -5.08 113.62 120.25 2dky n SER 3 Ca 0.04 -3.76 0.05 0.00 -0.26 0.00 0.00 58.87 54.94 2dky n SER 3 Cb 0.63 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 2dky n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dky n GLY 4 N -0.72 -2.10 3.77 5.00 0.00 -1.26 -4.85 105.19 105.03 2dky n GLY 4 Ca 0.49 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 2dky n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dky s SER 5 N -3.62 7.16 0.40 1.61 0.15 -1.26 -5.05 113.70 113.08 2dky s SER 5 Ca 0.00 2.14 0.04 0.00 0.70 0.00 0.00 55.95 58.83 2dky s SER 5 Cb 0.00 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 2dky s SER 5 CO 0.00 -0.21 0.15 -0.44 1.20 0.00 0.00 173.24 173.94 2dky s SER 6 N -1.17 2.64 0.00 5.45 0.01 -1.26 -5.05 113.70 114.32 2dky s SER 6 Ca 0.48 -1.70 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2dky s SER 6 Cb -0.27 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2dky s SER 6 CO 0.35 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.64 2dky n GLY 7 N -0.88 -1.28 3.49 3.44 0.00 -1.26 -5.09 105.19 103.61 2dky n GLY 7 Ca -0.04 0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 2dky n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dky n MET 8 N 0.00 0.65 0.24 1.61 0.00 -1.26 -4.83 117.12 113.53 2dky n MET 8 Ca 0.00 0.08 -0.12 0.00 -0.00 0.00 0.00 57.70 57.66 2dky n MET 8 Cb 0.00 -2.41 -0.06 0.00 0.00 0.00 0.00 33.22 30.75 2dky n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dky s ARG 10 N -4.85 0.80 -0.26 0.00 3.03 -1.26 -5.17 118.95 111.24 2dky s ARG 10 Ca -0.12 0.94 -0.28 0.00 2.03 0.00 0.00 55.73 58.31 2dky s ARG 10 Cb 0.02 0.39 0.17 0.00 -1.03 0.00 0.00 34.95 34.50 2dky s ARG 10 CO 0.38 -0.10 1.26 0.21 -1.13 0.00 0.00 175.30 175.92 2dky s LYS 11 N 0.34 0.24 -0.27 3.89 2.20 -1.26 -5.02 119.74 119.86 2dky s LYS 11 Ca -0.00 0.15 -0.27 0.00 -0.36 0.00 0.00 55.97 55.49 2dky s LYS 11 Cb -0.05 0.12 0.17 0.00 -1.51 0.00 0.00 37.83 36.56 2dky s LYS 11 CO 0.01 -0.06 1.27 -1.59 -0.36 0.00 0.00 175.35 174.62 2dky s LYS 12 N -0.54 0.23 0.00 4.03 -2.85 -1.26 -5.01 119.74 114.35 2dky s LYS 12 Ca 0.05 0.18 0.11 0.00 -1.00 0.00 0.00 55.97 55.31 2dky s LYS 12 Cb -0.03 0.11 0.67 0.00 -2.06 0.00 0.00 37.83 36.53 2dky s LYS 12 CO -0.08 -0.05 1.11 -0.35 0.10 0.00 0.00 175.35 176.08 2dky n PRO 13 N 1.31 0.49 -2.67 1.78 -0.04 -1.26 -4.40 135.00 130.20 2dky n PRO 13 Ca -0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.31 2dky n PRO 13 Cb 0.57 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 2dky n PRO 13 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2dky n ASP 14 N -0.86 -2.73 -4.64 3.54 2.03 -1.26 -4.90 116.55 107.73 2dky n ASP 14 Ca 0.08 -0.20 -0.43 0.00 0.52 0.00 0.00 54.79 54.77 2dky n ASP 14 Cb 0.04 -2.04 -0.03 0.00 -0.72 0.00 0.00 41.12 38.37 2dky n ASP 14 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2dky s THR 15 N -3.11 3.66 0.25 5.18 2.01 -1.26 -4.88 115.64 117.48 2dky s THR 15 Ca 0.10 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 62.82 2dky s THR 15 Cb -0.04 -3.63 0.11 0.00 0.01 0.00 0.00 72.50 68.94 2dky s THR 15 CO 0.25 -0.23 1.75 0.00 -0.69 0.00 0.00 174.62 175.69 2dky h MET 16 N 10.59 0.81 -0.09 4.92 -0.00 -2.01 -2.63 114.93 126.52 2dky h MET 16 Ca -0.35 -0.22 -0.11 0.00 -0.00 0.00 0.00 59.70 59.02 2dky h MET 16 Cb 1.16 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.66 2dky h MET 16 CO 0.99 0.82 -0.45 0.82 -0.00 0.00 0.00 176.91 179.09 2dky h ILE 17 N 0.75 1.32 -0.07 -0.10 5.03 -2.00 -2.98 117.51 119.47 2dky h ILE 17 Ca 0.15 -1.60 -0.00 0.00 -0.12 0.00 0.00 64.86 63.29 2dky h ILE 17 Cb 0.46 1.75 -0.00 0.00 -3.03 0.00 0.00 36.82 36.00 2dky h ILE 17 CO 0.02 0.47 0.04 0.25 -0.68 0.00 0.00 178.15 178.25 2dky h LEU 18 N 0.17 0.09 -0.94 1.44 6.46 -1.87 -2.57 115.31 118.09 2dky h LEU 18 Ca 0.01 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 2dky h LEU 18 Cb 0.86 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 40.72 2dky h LEU 18 CO 0.07 0.15 0.62 0.71 -0.62 0.00 0.00 178.44 179.37 2dky h THR 19 N 0.01 1.21 -0.77 1.05 1.35 -1.49 -2.26 112.91 112.01 2dky h THR 19 Ca 0.02 -0.42 0.06 0.00 -0.55 0.00 0.00 66.41 65.52 2dky h THR 19 Cb 0.09 -0.14 -0.06 0.00 -1.73 0.00 0.00 68.15 66.31 2dky h THR 19 CO -0.00 0.23 0.46 -0.61 -0.25 0.00 0.00 175.52 175.34 2dky h GLN 20 N 1.23 0.82 0.43 4.72 5.75 -1.35 -1.69 115.11 125.03 2dky h GLN 20 Ca 0.36 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 2dky h GLN 20 Cb -0.08 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.29 2dky h GLN 20 CO -0.09 0.54 -0.21 0.82 -2.65 0.00 0.00 178.83 177.24 2dky h ILE 21 N 0.84 0.00 -0.68 2.39 2.04 -1.01 0.35 117.51 121.44 2dky h ILE 21 Ca 0.34 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.27 2dky h ILE 21 Cb 0.18 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.15 2dky h ILE 21 CO -0.18 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 177.17 2dky h GLU 22 N -0.60 -0.18 0.05 2.37 4.39 -1.43 -0.70 114.58 118.48 2dky h GLU 22 Ca -0.06 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2dky h GLU 22 Cb 0.44 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2dky h GLU 22 CO 0.10 -0.12 -0.10 0.00 -1.16 0.00 0.00 179.01 177.73 2dky h ALA 23 N 0.61 -0.15 -0.89 3.43 0.00 -1.34 -2.53 119.26 118.40 2dky h ALA 23 Ca 0.18 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.32 2dky h ALA 23 Cb 0.55 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.35 2dky h ALA 23 CO -0.76 -0.61 0.18 -0.22 0.00 0.00 0.00 179.25 177.84 2dky h LYS 24 N -0.20 0.15 0.17 0.00 1.63 0.11 0.40 116.57 118.82 2dky h LYS 24 Ca 0.02 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2dky h LYS 24 Cb 0.22 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 2dky h LYS 24 CO -0.07 0.10 -0.29 0.93 -3.45 0.00 0.00 179.45 176.67 2dky h GLU 25 N 0.15 -0.51 0.29 1.90 4.39 -0.75 0.50 114.58 120.55 2dky h GLU 25 Ca 0.55 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.29 2dky h GLU 25 Cb 1.12 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.85 2dky h GLU 25 CO -0.71 -0.34 -0.44 0.00 -1.16 0.00 0.00 179.01 176.36 2dky h ALA 26 N 0.14 -0.88 -0.18 3.43 0.00 -0.86 -1.90 119.26 118.99 2dky h ALA 26 Ca 0.02 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2dky h ALA 26 Cb 0.54 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2dky h ALA 26 CO -0.14 -1.05 -0.38 0.00 0.00 0.00 0.00 179.25 177.68 2dky h ASP 28 N -0.42 0.15 0.07 0.00 3.58 -0.70 -1.31 116.42 117.78 2dky h ASP 28 Ca 0.10 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2dky h ASP 28 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2dky h ASP 28 CO -0.41 0.03 -0.03 -0.25 -2.88 0.00 0.00 179.24 175.69 2dky h TRP 29 N 0.13 -0.08 -1.27 0.28 7.01 0.06 -0.66 115.95 121.41 2dky h TRP 29 Ca 0.55 -0.00 0.44 0.00 2.11 0.00 0.00 58.89 61.99 2dky h TRP 29 Cb 1.92 0.03 -0.14 0.00 -2.10 0.00 0.00 29.16 28.86 2dky h TRP 29 CO -0.00 -0.05 0.80 -0.07 -2.79 0.00 0.00 178.44 176.32 2dky h LEU 30 N -0.74 0.25 0.00 0.65 3.38 -0.32 2.24 115.31 120.77 2dky h LEU 30 Ca -0.01 0.17 -0.25 0.00 0.09 0.00 0.00 57.88 57.88 2dky h LEU 30 Cb 0.07 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2dky h LEU 30 CO 0.01 -0.26 -1.41 -0.09 0.09 0.00 0.00 178.44 176.78 2dky h ARG 31 N 0.05 0.00 -0.66 1.13 1.12 -1.34 0.08 114.38 114.76 2dky h ARG 31 Ca 0.85 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.72 2dky h ARG 31 Cb 2.58 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.54 2dky h ARG 31 CO -0.51 0.64 0.00 0.00 -3.11 0.00 0.00 179.97 176.99 2dky n ALA 32 N -2.46 3.02 -0.03 2.80 0.00 0.51 -4.26 120.51 120.09 2dky n ALA 32 Ca -0.10 -1.48 -0.05 0.00 0.00 0.00 0.00 53.44 51.81 2dky n ALA 32 Cb 0.99 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.38 2dky n ALA 32 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2dky n THR 33 N 1.12 0.41 0.00 0.00 5.66 0.63 -4.93 114.28 117.17 2dky n THR 33 Ca 0.25 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2dky n THR 33 Cb 0.84 -0.77 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 2dky n THR 33 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dky n GLY 34 N 3.10 0.41 3.11 1.09 0.00 -1.21 -5.07 105.19 106.62 2dky n GLY 34 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 2dky n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dky s PHE 35 N 0.00 3.80 0.15 1.61 0.08 0.00 -4.88 117.98 118.74 2dky s PHE 35 Ca 0.00 -2.94 0.32 0.00 0.12 0.00 0.00 56.93 54.43 2dky s PHE 35 Cb 0.00 -3.26 1.32 0.00 -0.57 0.00 0.00 43.02 40.51 2dky s PHE 35 CO 0.00 -0.77 1.97 -1.00 -0.10 0.00 0.00 175.22 175.32 2dky h PRO 36 N 6.26 0.00 0.00 0.24 0.13 -1.81 -2.80 132.00 134.02 2dky h PRO 36 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2dky h PRO 36 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2dky h PRO 36 CO 0.83 0.06 -0.45 -0.56 -0.23 0.00 0.00 178.00 177.64 2dky h GLN 37 N 0.00 0.00 0.00 0.86 -0.00 -1.90 -2.52 115.11 111.55 2dky h GLN 37 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2dky h GLN 37 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.01 2dky h GLN 37 CO 0.01 0.45 0.00 1.88 -0.00 0.00 0.00 178.83 181.17 2dky h TYR 38 N 0.00 0.00 0.00 0.06 0.05 -1.81 -2.47 116.97 112.80 2dky h TYR 38 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2dky h TYR 38 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 2dky h TYR 38 CO 0.00 0.00 -1.12 0.00 -1.05 0.00 0.00 178.16 175.99 2dky n ALA 39 N -2.02 2.63 0.03 3.88 0.00 -1.02 -4.19 120.51 119.82 2dky n ALA 39 Ca 0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 2dky n ALA 39 Cb 0.46 -1.05 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 2dky n ALA 39 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2dky h GLN 40 N 0.00 0.31 -0.82 0.00 4.15 -1.39 -3.26 115.11 114.09 2dky h GLN 40 Ca 0.00 -0.53 0.18 0.00 0.77 0.00 0.00 58.65 59.07 2dky h GLN 40 Cb 0.97 0.20 -0.11 0.00 0.21 0.00 0.00 27.48 28.75 2dky h GLN 40 CO 0.00 1.25 0.33 -0.07 -1.93 0.00 0.00 178.83 178.41 2dky h LEU 41 N 0.08 0.28 -0.51 -2.39 3.38 -1.61 0.12 115.31 114.66 2dky h LEU 41 Ca -0.40 0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 2dky h LEU 41 Cb 2.06 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.91 2dky h LEU 41 CO 0.12 0.05 -0.65 0.22 0.09 0.00 0.00 178.44 178.27 2dky h TYR 42 N 0.42 0.48 -0.09 1.13 5.03 -1.73 -1.41 116.97 120.80 2dky h TYR 42 Ca 0.48 -0.20 -0.00 0.00 2.58 0.00 0.00 58.73 61.59 2dky h TYR 42 Cb 0.82 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 2dky h TYR 42 CO -0.16 0.91 0.04 0.93 -1.32 0.00 0.00 178.16 178.56 2dky h GLU 43 N 0.26 0.12 -0.24 1.82 4.39 -0.84 0.59 114.58 120.68 2dky h GLU 43 Ca -0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2dky h GLU 43 Cb 1.20 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2dky h GLU 43 CO 0.11 0.10 0.00 -3.47 -1.16 0.00 0.00 179.01 174.59 2dky n ASP 44 N -4.50 2.01 -3.04 1.42 2.03 -0.66 -4.93 116.55 108.88 2dky n ASP 44 Ca -0.02 -1.80 -0.15 0.00 0.52 0.00 0.00 54.79 53.34 2dky n ASP 44 Cb 0.10 -0.16 0.07 0.00 -0.72 0.00 0.00 41.12 40.42 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2dky n PHE 45 N 0.56 -1.93 -0.07 -0.67 3.72 0.20 -4.94 117.46 114.32 2dky n PHE 45 Ca 0.16 0.80 -0.09 0.00 -0.05 0.00 0.00 57.45 58.26 2dky n PHE 45 Cb 0.37 -4.54 -0.15 0.00 -0.94 0.00 0.00 39.48 34.22 2dky n PHE 45 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2dky n LEU 46 N -3.73 0.33 -4.48 4.37 4.77 -0.54 -4.98 117.00 112.74 2dky n LEU 46 Ca -0.20 0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.62 2dky n LEU 46 Cb 0.63 0.37 0.14 0.00 -2.33 0.00 0.00 43.42 42.23 2dky n LEU 46 CO 0.51 0.46 0.12 0.49 -1.33 0.00 0.00 177.39 177.64 2dky n PHE 47 N -2.86 -0.81 -1.25 -1.77 3.01 -1.26 -4.65 117.46 107.87 2dky n PHE 47 Ca -0.27 0.27 -0.31 0.00 1.01 0.00 0.00 57.45 58.16 2dky n PHE 47 Cb 1.12 -1.84 0.10 0.00 -0.01 0.00 0.00 39.48 38.85 2dky n PHE 47 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2dky s PRO 48 N -3.92 2.16 0.40 -1.08 0.04 -1.26 -4.79 135.00 126.54 2dky s PRO 48 Ca 0.60 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.85 2dky s PRO 48 Cb -0.21 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2dky s PRO 48 CO 0.65 -1.70 0.29 0.96 0.04 0.00 0.00 177.00 177.24 2dky s ILE 49 N -2.91 2.74 -0.98 0.56 -4.36 -1.26 -5.04 121.20 109.94 2dky s ILE 49 Ca 0.61 -1.47 -0.23 0.00 -0.26 0.00 0.00 60.65 59.30 2dky s ILE 49 Cb -0.17 -3.02 0.03 0.00 1.25 0.00 0.00 42.46 40.55 2dky s ILE 49 CO 0.56 -0.05 1.52 -1.81 0.24 0.00 0.00 174.94 175.40 2dky s ASP 50 N -4.02 6.28 0.05 4.36 1.11 -1.26 -4.87 116.67 118.31 2dky s ASP 50 Ca 0.44 -1.27 -0.21 0.00 0.18 0.00 0.00 52.55 51.69 2dky s ASP 50 Cb -0.02 -2.57 -0.10 0.00 1.07 0.00 0.00 42.92 41.30 2dky s ASP 50 CO 0.26 -1.71 1.33 0.40 1.18 0.00 0.00 175.17 176.63 2dky h ILE 51 N 6.83 0.00 -1.80 0.77 1.08 -1.99 -1.56 117.51 120.84 2dky h ILE 51 Ca 0.16 0.00 0.54 0.00 -0.39 0.00 0.00 64.86 65.17 2dky h ILE 51 Cb 1.01 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 2dky h ILE 51 CO 1.39 0.00 1.26 0.28 -0.69 0.00 0.00 178.15 180.39 2dky h SER 52 N -0.58 0.06 -0.05 1.72 0.02 -2.02 0.90 113.55 113.60 2dky h SER 52 Ca -0.03 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2dky h SER 52 Cb 0.51 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2dky h SER 52 CO -0.05 -0.08 -0.01 0.25 -1.14 0.00 0.00 176.83 175.80 2dky h LEU 53 N 0.00 0.09 -1.56 5.07 7.12 -1.69 -2.87 115.31 121.48 2dky h LEU 53 Ca 0.92 -0.36 0.41 0.00 0.13 0.00 0.00 57.88 58.98 2dky h LEU 53 Cb 3.49 -0.03 -0.10 0.00 -0.53 0.00 0.00 40.66 43.49 2dky h LEU 53 CO -0.15 0.43 0.89 0.58 -0.13 0.00 0.00 178.44 180.06 2dky h VAL 54 N -0.24 0.22 0.03 1.05 2.07 0.11 0.60 116.25 120.09 2dky h VAL 54 Ca 0.01 -0.04 -0.20 0.00 0.82 0.00 0.00 66.70 67.29 2dky h VAL 54 Cb 0.39 0.09 0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2dky h VAL 54 CO 0.00 0.02 -0.79 0.11 0.02 0.00 0.00 177.57 176.93 2dky h LYS 55 N 0.12 0.49 -0.72 1.57 1.57 -1.49 -0.67 116.57 117.45 2dky h LYS 55 Ca 0.76 -0.56 0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2dky h LYS 55 Cb 2.49 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 34.93 2dky h LYS 55 CO -0.29 1.20 0.46 0.00 -0.57 0.00 0.00 179.45 180.26 2dky h ARG 56 N 0.02 0.89 0.01 3.15 3.08 0.33 1.07 114.38 122.94 2dky h ARG 56 Ca -0.11 -0.05 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 2dky h ARG 56 Cb 1.50 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 31.36 2dky h ARG 56 CO 0.16 0.59 -0.61 0.93 -1.07 0.00 0.00 179.97 179.97 2dky h GLU 57 N 0.92 0.39 -0.98 0.04 4.39 -1.14 -3.29 114.58 114.91 2dky h GLU 57 Ca 0.28 -0.44 -0.61 0.00 0.34 0.00 0.00 59.36 58.93 2dky h GLU 57 Cb -0.04 0.13 -0.30 0.00 -0.10 0.00 0.00 28.75 28.44 2dky h GLU 57 CO -0.09 1.11 0.75 0.72 -1.16 0.00 0.00 179.01 180.34 2dky n HIS 58 N -4.22 3.13 -0.31 4.33 8.25 -0.26 -4.64 115.22 121.50 2dky n HIS 58 Ca -0.11 -2.57 0.04 0.00 -0.26 0.00 0.00 57.72 54.83 2dky n HIS 58 Cb 0.68 -1.24 0.19 0.00 1.12 0.00 0.00 29.99 30.74 2dky n HIS 58 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 2dky h ASP 59 N 1.62 0.73 -0.92 0.41 3.04 0.11 -1.60 116.42 119.82 2dky h ASP 59 Ca 0.61 0.05 0.26 0.00 -3.24 0.00 0.00 57.03 54.71 2dky h ASP 59 Cb 1.59 -0.09 -0.14 0.00 -1.04 0.00 0.00 39.33 39.64 2dky h ASP 59 CO 1.38 0.41 0.33 2.19 -2.04 0.00 0.00 179.24 181.51 2dky h PHE 60 N 0.84 0.52 -2.43 4.15 -0.00 -1.83 -3.42 116.94 114.77 2dky h PHE 60 Ca 0.43 0.05 -0.54 0.00 -0.00 0.00 0.00 57.97 57.90 2dky h PHE 60 Cb 0.41 -0.08 0.23 0.00 -0.00 0.00 0.00 35.95 36.51 2dky h PHE 60 CO -0.05 -0.20 -1.46 1.28 -0.00 0.00 0.00 178.31 177.88 2dky n LEU 61 N -5.18 -4.11 -4.92 2.10 4.77 -0.60 -4.96 117.00 104.10 2dky n LEU 61 Ca 0.24 0.22 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 2dky n LEU 61 Cb 0.77 -0.90 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2dky n LEU 61 CO 0.07 -5.20 0.26 -1.81 -1.33 0.00 0.00 177.39 169.39 2dky s ASP 62 N -1.33 6.32 0.26 -1.43 1.11 -1.26 -4.88 116.67 115.46 2dky s ASP 62 Ca 0.45 0.66 -0.02 0.00 0.18 0.00 0.00 52.55 53.83 2dky s ASP 62 Cb -0.18 -2.13 0.56 0.00 1.07 0.00 0.00 42.92 42.24 2dky s ASP 62 CO 0.78 -0.36 1.68 -0.09 1.18 0.00 0.00 175.17 178.36 2dky h ARG 63 N 0.82 0.27 -0.31 8.23 2.43 -1.93 0.14 114.38 124.03 2dky h ARG 63 Ca -0.48 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 2dky h ARG 63 Cb 1.21 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2dky h ARG 63 CO 0.63 0.18 0.03 0.22 -1.51 0.00 0.00 179.97 179.52 2dky h ASP 64 N 0.28 0.51 -0.60 -3.80 3.58 -2.00 -1.35 116.42 113.05 2dky h ASP 64 Ca 0.47 -0.28 0.03 0.00 0.42 0.00 0.00 57.03 57.67 2dky h ASP 64 Cb 0.85 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 2dky h ASP 64 CO -0.55 0.66 0.37 0.00 -2.88 0.00 0.00 179.24 176.84 2dky h ALA 65 N 0.87 0.78 0.56 -0.78 0.00 -1.38 -2.75 119.26 116.56 2dky h ALA 65 Ca 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2dky h ALA 65 Cb 0.38 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.00 2dky h ALA 65 CO 0.01 0.10 -0.27 0.82 0.00 0.00 0.00 179.25 179.91 2dky h ILE 66 N 0.72 0.00 -0.79 0.00 1.08 -0.73 -2.24 117.51 115.54 2dky h ILE 66 Ca 0.24 -0.20 0.24 0.00 -0.39 0.00 0.00 64.86 64.75 2dky h ILE 66 Cb 0.03 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 33.63 2dky h ILE 66 CO -0.11 0.00 0.09 -0.62 -0.69 0.00 0.00 178.15 176.83 2dky n GLU 67 N -4.59 -0.06 -0.02 2.37 1.02 -0.52 0.12 120.64 118.96 2dky n GLU 67 Ca -0.09 1.17 -0.12 0.00 -0.02 0.00 0.00 57.16 58.09 2dky n GLU 67 Cb 0.30 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.74 2dky n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dky h ALA 68 N 1.58 0.08 -0.80 0.62 0.00 -1.45 -1.26 119.26 118.02 2dky h ALA 68 Ca 0.51 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2dky h ALA 68 Cb 1.13 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 2dky h ALA 68 CO -0.72 -0.22 0.50 1.25 0.00 0.00 0.00 179.25 180.06 2dky h LEU 69 N -0.21 0.78 -0.49 0.00 5.85 0.16 -2.24 115.31 119.17 2dky h LEU 69 Ca 0.02 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2dky h LEU 69 Cb 0.38 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2dky h LEU 69 CO 0.00 0.51 -0.03 0.00 -0.34 0.00 0.00 178.44 178.59 2dky h ARG 71 N 0.74 0.00 0.00 0.00 3.08 -0.59 0.91 114.38 118.52 2dky h ARG 71 Ca 0.13 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2dky h ARG 71 Cb 0.56 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2dky h ARG 71 CO 0.03 0.00 -0.92 0.54 -1.07 0.00 0.00 179.97 178.55 2dky n ARG 72 N -3.59 0.51 -0.03 0.04 3.00 -1.03 -3.81 116.66 111.75 2dky n ARG 72 Ca 0.19 0.53 -0.11 0.00 -0.01 0.00 0.00 57.85 58.46 2dky n ARG 72 Cb 1.20 -1.71 -0.04 0.00 0.00 0.00 0.00 32.46 31.91 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2dky h LEU 73 N -1.00 -1.15 -0.59 0.55 3.38 -0.95 -1.55 115.31 113.99 2dky h LEU 73 Ca -0.18 0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2dky h LEU 73 Cb 0.91 0.49 -0.11 0.00 0.09 0.00 0.00 40.66 42.04 2dky h LEU 73 CO -0.11 -0.38 -0.06 -0.55 0.09 0.00 0.00 178.44 177.43 2dky h ASN 74 N -0.40 -0.39 -0.89 -0.43 7.08 -1.10 0.31 115.58 119.76 2dky h ASN 74 Ca 0.11 0.16 0.19 0.00 -3.08 0.00 0.00 56.30 53.68 2dky h ASN 74 Cb 0.58 0.31 -0.07 0.00 -2.08 0.00 0.00 38.32 37.05 2dky h ASN 74 CO -0.42 -0.15 0.59 0.74 -2.08 0.00 0.00 177.43 176.11 2dky h THR 75 N 0.06 0.71 0.19 6.14 2.02 -1.40 -1.36 112.91 119.27 2dky h THR 75 Ca 0.30 -0.16 -0.27 0.00 0.77 0.00 0.00 66.41 67.06 2dky h THR 75 Cb 0.47 0.21 0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2dky h THR 75 CO -0.55 0.08 -1.20 -0.07 0.37 0.00 0.00 175.52 174.15 2dky h LEU 76 N 0.46 0.62 -1.88 2.58 3.38 -0.09 -2.69 115.31 117.68 2dky h LEU 76 Ca 0.47 -0.93 0.21 0.00 0.09 0.00 0.00 57.88 57.72 2dky h LEU 76 Cb 1.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2dky h LEU 76 CO -0.19 1.57 0.65 0.78 0.09 0.00 0.00 178.44 181.35 2dky h ASN 77 N -0.13 0.00 0.09 -0.43 2.35 0.55 0.38 115.58 118.38 2dky h ASN 77 Ca -0.22 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.17 2dky h ASN 77 Cb 1.89 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.23 2dky h ASN 77 CO 0.19 0.00 -2.05 2.29 -1.65 0.00 0.00 177.43 176.21 2dky n LYS 78 N -3.88 0.72 0.00 0.81 2.85 -0.95 -3.76 118.16 113.94 2dky n LYS 78 Ca 0.15 0.27 0.09 0.00 -1.05 0.00 0.00 58.31 57.77 2dky n LYS 78 Cb 0.92 -1.67 0.47 0.00 -0.65 0.00 0.00 35.03 34.10 2dky n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2dky n ALA 80 N -1.26 2.16 -0.28 0.00 0.00 0.12 -4.47 120.51 116.77 2dky n ALA 80 Ca 0.09 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2dky n ALA 80 Cb 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2dky n ALA 80 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dky n VAL 81 N -2.57 0.00 -0.22 0.00 3.14 -0.98 -4.70 118.33 113.00 2dky n VAL 81 Ca -0.16 -0.35 0.21 0.00 -2.96 0.00 0.00 64.34 61.08 2dky n VAL 81 Cb 0.84 1.28 0.39 0.00 -1.06 0.00 0.00 33.84 35.29 2dky n VAL 81 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 2dky n MET 82 N -0.05 -0.04 -0.34 1.45 3.85 0.67 0.52 117.12 123.18 2dky n MET 82 Ca 0.00 0.94 0.05 0.00 -1.00 0.00 0.00 57.70 57.69 2dky n MET 82 Cb 0.07 -1.68 0.12 0.00 -1.05 0.00 0.00 33.22 30.69 2dky n MET 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2dky n LYS 83 N -4.54 -0.10 -0.02 3.17 3.00 -1.26 0.21 118.16 118.63 2dky n LYS 83 Ca 0.25 1.47 -0.12 0.00 -0.00 0.00 0.00 58.31 59.92 2dky n LYS 83 Cb 0.86 -2.20 -0.07 0.00 0.00 0.00 0.00 35.03 33.62 2dky n LYS 83 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2dky h LEU 84 N 0.00 0.13-10.22 3.14 -0.00 -0.33 -3.44 115.31 104.59 2dky h LEU 84 Ca 0.44 -0.23 -0.53 0.00 -0.00 0.00 0.00 57.88 57.56 2dky h LEU 84 Cb 0.68 -0.03 0.17 0.00 -0.00 0.00 0.00 40.66 41.48 2dky h LEU 84 CO -0.97 0.33 0.33 -1.61 -0.00 0.00 0.00 178.44 176.51 2dky s GLU 85 N -5.29 1.68 0.37 1.13 2.02 0.13 -4.89 118.70 113.86 2dky s GLU 85 Ca -0.14 1.68 -0.24 0.00 0.02 0.00 0.00 54.97 56.29 2dky s GLU 85 Cb 0.05 -1.79 -0.14 0.00 0.10 0.00 0.00 34.13 32.36 2dky s GLU 85 CO 0.69 -2.17 0.53 0.43 0.02 0.00 0.00 175.26 174.77 2dky n SER 86 N -3.35 -0.94 0.00 -0.19 7.64 -1.26 -4.81 113.62 110.70 2dky n SER 86 Ca 0.13 0.96 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2dky n SER 86 Cb 0.51 -1.08 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2dky n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dky n GLY 87 N 1.82 -2.12 3.65 0.23 0.00 -1.26 -4.95 105.19 102.56 2dky n GLY 87 Ca 0.12 0.68 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 2dky n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dky s PRO 88 N 0.00 4.12 0.08 1.61 0.04 -1.26 -4.23 135.00 135.36 2dky s PRO 88 Ca 0.00 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 2dky s PRO 88 Cb 0.00 -3.93 -0.00 0.00 0.04 0.00 0.00 34.50 30.60 2dky s PRO 88 CO 0.00 -0.89 -0.01 0.45 0.04 0.00 0.00 177.00 176.59 2dky n SER 89 N 7.23 0.98 -4.53 6.66 2.88 -1.26 -4.99 113.62 120.60 2dky n SER 89 Ca 0.17 0.13 -0.43 0.00 -1.33 0.00 0.00 58.87 57.40 2dky n SER 89 Cb 0.44 -0.30 -0.07 0.00 -0.75 0.00 0.00 64.21 63.53 2dky n SER 89 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dky s SER 90 N -5.86 6.35 0.00 -3.46 0.01 -1.26 -5.23 113.70 104.24 2dky s SER 90 Ca -0.01 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2dky s SER 90 Cb 0.00 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2dky s SER 90 CO 0.01 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.52