#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 5.47 -0.23 1.61 0.01 -1.26 -5.14 113.70 114.16 2dky s SER 2 Ca 0.00 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 2dky s SER 2 Cb 0.00 -0.47 0.06 0.00 0.21 0.00 0.00 66.02 65.82 2dky s SER 2 CO 0.00 -0.85 0.61 -0.44 0.41 0.00 0.00 173.24 172.97 2dky s SER 3 N -4.37 -0.64 0.00 2.44 0.01 -1.26 -5.17 113.70 104.71 2dky s SER 3 Ca 0.55 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2dky s SER 3 Cb -0.08 1.25 0.00 0.00 0.21 0.00 0.00 66.02 67.39 2dky s SER 3 CO 0.33 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2dky n GLY 4 N 2.78 2.90 3.59 3.44 0.00 -1.26 -5.02 105.19 111.62 2dky n GLY 4 Ca -0.14 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.38 6.18 -0.09 1.61 0.15 -1.26 -4.96 113.70 114.96 2dky s SER 5 Ca 0.00 0.56 -0.29 0.00 0.70 0.00 0.00 55.95 56.92 2dky s SER 5 Cb 0.00 -2.54 -0.06 0.00 -1.71 0.00 0.00 66.02 61.71 2dky s SER 5 CO 0.00 -1.61 1.78 -0.55 1.20 0.00 0.00 173.24 174.06 2dky s SER 6 N 4.39 6.42 0.00 5.45 0.15 -1.26 -4.55 113.70 124.30 2dky s SER 6 Ca 0.58 2.16 0.00 0.00 0.70 0.00 0.00 55.95 59.38 2dky s SER 6 Cb -0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dky s SER 6 CO 0.29 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2dky n GLY 7 N 4.53 -0.84 3.31 9.45 0.00 -1.26 -5.15 105.19 115.23 2dky n GLY 7 Ca 0.20 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 2dky n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2dky n MET 8 N 0.00 0.63 -1.28 1.61 2.81 -1.26 -5.03 117.12 114.59 2dky n MET 8 Ca 0.00 -3.40 -0.21 0.00 -1.81 0.00 0.00 57.70 52.29 2dky n MET 8 Cb 0.00 1.68 -0.11 0.00 -0.71 0.00 0.00 33.22 34.09 2dky n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dky h ARG 10 N 3.03 -0.91 -6.30 0.00 3.08 -1.97 -3.42 114.38 107.90 2dky h ARG 10 Ca 0.31 0.06 -0.55 0.00 0.07 0.00 0.00 59.98 59.87 2dky h ARG 10 Cb 1.07 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 2dky h ARG 10 CO 0.60 -0.61 0.60 0.15 -1.07 0.00 0.00 179.97 179.65 2dky s LYS 11 N -4.96 4.41 0.20 0.04 3.01 -1.26 -4.97 119.74 116.20 2dky s LYS 11 Ca -0.14 1.51 -0.30 0.00 -1.01 0.00 0.00 55.97 56.03 2dky s LYS 11 Cb 0.01 -3.53 -0.16 0.00 -1.01 0.00 0.00 37.83 33.14 2dky s LYS 11 CO 0.41 -0.35 0.91 1.17 0.51 0.00 0.00 175.35 178.01 2dky n LYS 12 N 4.97 0.76 -2.25 1.68 0.00 -1.26 -4.89 118.16 117.16 2dky n LYS 12 Ca 0.09 0.27 -0.40 0.00 0.00 0.00 0.00 58.31 58.28 2dky n LYS 12 Cb 0.48 -1.57 -0.02 0.00 0.00 0.00 0.00 35.03 33.91 2dky n LYS 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2dky s PRO 13 N -0.90 4.29 0.16 1.64 0.04 -1.26 -5.04 135.00 133.92 2dky s PRO 13 Ca 0.67 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.50 2dky s PRO 13 Cb -0.87 -2.94 0.06 0.00 0.04 0.00 0.00 34.50 30.79 2dky s PRO 13 CO 0.56 -0.16 0.54 0.34 0.04 0.00 0.00 177.00 178.32 2dky s ASP 14 N -0.82 -0.45 0.27 6.66 2.15 -1.26 -4.91 116.67 118.31 2dky s ASP 14 Ca 0.51 -0.14 -0.28 0.00 0.43 0.00 0.00 52.55 53.07 2dky s ASP 14 Cb -0.35 0.57 -0.15 0.00 -0.30 0.00 0.00 42.92 42.69 2dky s ASP 14 CO 0.45 -0.95 0.92 0.35 -0.17 0.00 0.00 175.17 175.77 2dky n THR 15 N -0.34 1.95 0.00 1.71 -2.24 -1.26 -4.91 114.28 109.19 2dky n THR 15 Ca -0.16 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2dky n THR 15 Cb 0.64 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2dky n THR 15 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2dky n MET 16 N 0.82 0.00 -0.15 -0.78 2.81 -1.26 -4.67 117.12 113.89 2dky n MET 16 Ca 0.11 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.89 2dky n MET 16 Cb 0.30 -0.45 -0.00 0.00 -0.71 0.00 0.00 33.22 32.35 2dky n MET 16 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2dky h ILE 17 N 0.00 1.27 0.06 2.02 5.03 -2.00 -2.99 117.51 120.90 2dky h ILE 17 Ca 0.00 -1.42 0.02 0.00 -0.12 0.00 0.00 64.86 63.34 2dky h ILE 17 Cb 0.82 1.17 -0.03 0.00 -3.03 0.00 0.00 36.82 35.74 2dky h ILE 17 CO 0.00 0.49 -0.21 0.25 -0.68 0.00 0.00 178.15 177.99 2dky h LEU 18 N 0.85 -0.61 -1.24 1.44 6.46 -1.99 -0.65 115.31 119.57 2dky h LEU 18 Ca 0.10 0.08 0.12 0.00 -0.12 0.00 0.00 57.88 58.06 2dky h LEU 18 Cb 0.83 0.24 -0.07 0.00 -0.73 0.00 0.00 40.66 40.94 2dky h LEU 18 CO 0.07 -0.29 0.57 0.71 -0.62 0.00 0.00 178.44 178.89 2dky h THR 19 N -0.37 0.90 -0.16 1.05 1.35 -1.82 -1.74 112.91 112.12 2dky h THR 19 Ca 0.04 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 2dky h THR 19 Cb 0.42 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.88 2dky h THR 19 CO -0.15 0.14 0.02 1.56 -0.25 0.00 0.00 175.52 176.84 2dky h GLN 20 N 0.79 0.27 -0.07 4.72 7.50 -1.20 -2.62 115.11 124.51 2dky h GLN 20 Ca 0.43 -0.08 0.03 0.00 0.50 0.00 0.00 58.65 59.53 2dky h GLN 20 Cb 0.56 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 28.02 2dky h GLN 20 CO -0.19 0.47 -0.12 0.82 -1.50 0.00 0.00 178.83 178.30 2dky h ILE 21 N 0.04 0.68 0.12 2.54 2.04 -0.32 0.32 117.51 122.92 2dky h ILE 21 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2dky h ILE 21 Cb 0.33 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 2dky h ILE 21 CO 0.01 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.56 2dky h GLU 22 N -0.17 -0.41 -0.64 2.37 5.08 -1.34 -2.23 114.58 117.24 2dky h GLU 22 Ca 0.07 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2dky h GLU 22 Cb 0.27 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.53 2dky h GLU 22 CO -0.17 -0.27 0.24 0.00 -1.00 0.00 0.00 179.01 177.81 2dky h ALA 23 N -1.13 0.83 -0.78 3.43 0.00 -1.41 -2.02 119.26 118.19 2dky h ALA 23 Ca -0.01 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.14 2dky h ALA 23 Cb 0.40 0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 2dky h ALA 23 CO -0.11 -0.19 -0.21 -0.22 0.00 0.00 0.00 179.25 178.52 2dky h LYS 24 N 0.42 -0.01 0.18 0.00 1.63 -0.00 0.95 116.57 119.73 2dky h LYS 24 Ca 0.33 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.14 2dky h LYS 24 Cb 0.42 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 2dky h LYS 24 CO -0.32 -0.01 -0.33 0.93 -3.45 0.00 0.00 179.45 176.27 2dky h GLU 25 N -0.01 -0.57 0.39 1.90 4.39 -0.77 0.10 114.58 120.00 2dky h GLU 25 Ca 0.37 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 2dky h GLU 25 Cb 0.57 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2dky h GLU 25 CO -0.80 -0.38 -0.51 0.00 -1.16 0.00 0.00 179.01 176.15 2dky h ALA 26 N -0.00 -1.11 -0.59 3.43 0.00 -1.05 -2.21 119.26 117.73 2dky h ALA 26 Ca 0.02 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2dky h ALA 26 Cb 0.60 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 2dky h ALA 26 CO -0.16 -1.17 -0.07 0.00 0.00 0.00 0.00 179.25 177.85 2dky h ASP 28 N 0.06 0.04 0.00 0.00 3.58 -0.42 -1.90 116.42 117.78 2dky h ASP 28 Ca 0.30 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 2dky h ASP 28 Cb 0.47 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 2dky h ASP 28 CO -0.56 0.02 -0.00 -0.25 -2.88 0.00 0.00 179.24 175.57 2dky h TRP 29 N 0.04 0.00 -1.33 0.28 7.01 0.35 -2.31 115.95 120.00 2dky h TRP 29 Ca 0.35 0.00 0.43 0.00 2.11 0.00 0.00 58.89 61.78 2dky h TRP 29 Cb 1.35 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 28.29 2dky h TRP 29 CO -0.00 0.09 0.86 -0.07 -2.79 0.00 0.00 178.44 176.53 2dky h LEU 30 N -1.00 0.24 0.00 0.65 3.38 -0.75 2.31 115.31 120.14 2dky h LEU 30 Ca -0.00 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 2dky h LEU 30 Cb 0.09 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2dky h LEU 30 CO -0.00 -0.15 -1.00 -0.09 0.09 0.00 0.00 178.44 177.29 2dky h ARG 31 N 0.10 0.00 -0.52 1.13 1.12 -1.42 0.18 114.38 114.96 2dky h ARG 31 Ca 0.80 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.67 2dky h ARG 31 Cb 2.54 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.50 2dky h ARG 31 CO -0.38 0.38 0.00 0.00 -3.11 0.00 0.00 179.97 176.86 2dky n ALA 32 N -2.31 2.73 -0.05 2.80 0.00 0.63 -4.44 120.51 119.88 2dky n ALA 32 Ca -0.04 -1.55 -0.07 0.00 0.00 0.00 0.00 53.44 51.78 2dky n ALA 32 Cb 0.78 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 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 0.79 0.53 0.00 0.00 5.66 0.63 -4.95 114.28 116.93 2dky n THR 33 Ca 0.21 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2dky n THR 33 Cb 0.73 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.64 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 3.02 0.25 3.14 1.09 0.00 -1.21 -5.07 105.19 106.41 2dky n GLY 34 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 3.68 -0.39 1.61 0.08 0.05 -4.89 117.98 118.12 2dky s PHE 35 Ca 0.00 -2.77 0.25 0.00 0.12 0.00 0.00 56.93 54.53 2dky s PHE 35 Cb 0.00 -3.31 1.05 0.00 -0.57 0.00 0.00 43.02 40.18 2dky s PHE 35 CO 0.00 -0.82 1.75 -1.00 -0.10 0.00 0.00 175.22 175.05 2dky h PRO 36 N 6.66 0.00 0.25 0.24 0.13 -1.84 -2.98 132.00 134.46 2dky h PRO 36 Ca 0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.88 2dky h PRO 36 Cb 0.90 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.07 2dky h PRO 36 CO 0.79 0.00 -1.47 -0.56 -0.23 0.00 0.00 178.00 176.52 2dky h GLN 37 N 0.00 0.53 0.00 0.86 3.07 -1.90 -3.11 115.11 114.56 2dky h GLN 37 Ca 0.00 -0.90 0.00 0.00 0.09 0.00 0.00 58.65 57.84 2dky h GLN 37 Cb 0.37 0.34 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2dky h GLN 37 CO 0.00 1.43 0.00 1.88 0.09 0.00 0.00 178.83 182.23 2dky h TYR 38 N 0.12 0.00 0.00 0.06 0.05 -1.84 -0.88 116.97 114.48 2dky h TYR 38 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2dky h TYR 38 Cb 2.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.89 2dky h TYR 38 CO 0.13 0.00 -0.79 0.00 -1.05 0.00 0.00 178.16 176.45 2dky h ALA 39 N 2.05 0.58 0.05 3.88 0.00 -1.59 -3.37 119.26 120.86 2dky h ALA 39 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2dky h ALA 39 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2dky h ALA 39 CO 0.00 0.00 -1.92 0.94 0.00 0.00 0.00 179.25 178.27 2dky n GLN 40 N -2.63 0.65 -0.30 0.00 7.27 -0.84 -3.87 117.38 117.66 2dky n GLN 40 Ca 0.01 0.35 0.02 0.00 0.07 0.00 0.00 57.00 57.45 2dky n GLN 40 Cb 0.53 -1.66 0.10 0.00 2.41 0.00 0.00 30.24 31.61 2dky n GLN 40 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 2dky h LEU 41 N -0.45 -0.86 -0.61 1.69 3.38 -1.35 0.37 115.31 117.47 2dky h LEU 41 Ca -0.47 0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2dky h LEU 41 Cb 1.72 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 42.99 2dky h LEU 41 CO -0.11 -0.28 0.20 0.22 0.09 0.00 0.00 178.44 178.55 2dky h TYR 42 N -0.01 0.97 -0.00 1.13 5.03 -1.76 -1.87 116.97 120.45 2dky h TYR 42 Ca 0.39 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.61 2dky h TYR 42 Cb 0.61 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 2dky h TYR 42 CO -0.68 0.80 0.02 0.93 -1.32 0.00 0.00 178.16 177.91 2dky h GLU 43 N 0.87 0.00 -0.38 1.82 4.39 -0.46 0.25 114.58 121.07 2dky h GLU 43 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 2dky h GLU 43 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2dky h GLU 43 CO -0.01 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.37 2dky n ASP 44 N -3.28 3.22 -3.34 1.42 2.03 -0.29 -4.96 116.55 111.35 2dky n ASP 44 Ca -0.03 -1.96 -0.18 0.00 0.52 0.00 0.00 54.79 53.14 2dky n ASP 44 Cb 0.09 -0.24 0.08 0.00 -0.72 0.00 0.00 41.12 40.33 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 1.33 -2.26 -0.07 -0.67 3.01 0.87 -4.93 117.46 114.75 2dky n PHE 45 Ca 0.19 0.91 -0.04 0.00 1.01 0.00 0.00 57.45 59.53 2dky n PHE 45 Cb 0.57 -4.91 -0.16 0.00 -0.01 0.00 0.00 39.48 34.97 2dky n PHE 45 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2dky n LEU 46 N -4.19 0.04 -4.52 4.37 4.77 -0.80 -4.99 117.00 111.69 2dky n LEU 46 Ca -0.20 0.02 -0.32 0.00 -0.03 0.00 0.00 56.01 55.48 2dky n LEU 46 Cb 0.63 0.34 0.15 0.00 -2.33 0.00 0.00 43.42 42.21 2dky n LEU 46 CO 0.59 0.34 0.25 0.49 -1.33 0.00 0.00 177.39 177.73 2dky n PHE 47 N -2.62 -0.45 -1.25 -1.77 3.01 -1.26 -4.64 117.46 108.47 2dky n PHE 47 Ca -0.24 0.28 -0.31 0.00 1.01 0.00 0.00 57.45 58.20 2dky n PHE 47 Cb 0.98 -1.86 0.10 0.00 -0.01 0.00 0.00 39.48 38.69 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 -4.09 2.09 0.47 -1.08 0.04 -1.26 -4.78 135.00 126.38 2dky s PRO 48 Ca 0.62 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.84 2dky s PRO 48 Cb -0.22 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2dky s PRO 48 CO 0.63 -1.74 0.39 0.96 0.04 0.00 0.00 177.00 177.28 2dky s ILE 49 N -2.91 2.24 -1.07 0.56 -4.36 -1.26 -5.02 121.20 109.38 2dky s ILE 49 Ca 0.61 -1.41 -0.23 0.00 -0.26 0.00 0.00 60.65 59.36 2dky s ILE 49 Cb -0.17 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 2dky s ILE 49 CO 0.56 0.00 1.83 1.51 0.24 0.00 0.00 174.94 179.08 2dky s ASP 50 N -4.19 5.57 0.02 4.36 -4.77 -1.26 -4.82 116.67 111.58 2dky s ASP 50 Ca 0.43 -1.38 -0.15 0.00 -3.30 0.00 0.00 52.55 48.15 2dky s ASP 50 Cb -0.02 -2.57 -0.08 0.00 -1.09 0.00 0.00 42.92 39.15 2dky s ASP 50 CO 0.26 -2.43 1.23 0.40 0.70 0.00 0.00 175.17 175.33 2dky h ILE 51 N 6.59 0.00 -1.32 2.11 1.08 -1.99 -0.03 117.51 123.96 2dky h ILE 51 Ca 0.20 0.00 0.38 0.00 -0.39 0.00 0.00 64.86 65.06 2dky h ILE 51 Cb 0.96 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.64 2dky h ILE 51 CO 1.29 0.00 0.92 0.28 -0.69 0.00 0.00 178.15 179.95 2dky h SER 52 N -0.55 0.12 -0.10 1.72 0.02 -2.02 0.70 113.55 113.44 2dky h SER 52 Ca -0.05 0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.70 2dky h SER 52 Cb 0.42 0.02 0.01 0.00 0.14 0.00 0.00 62.40 62.99 2dky h SER 52 CO 0.09 -0.01 -0.83 0.25 -1.14 0.00 0.00 176.83 175.19 2dky h LEU 53 N 0.09 0.92 -2.07 5.07 7.12 -1.87 -3.09 115.31 121.48 2dky h LEU 53 Ca 0.68 -0.63 0.09 0.00 0.13 0.00 0.00 57.88 58.14 2dky h LEU 53 Cb 2.44 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 42.28 2dky h LEU 53 CO -0.13 1.43 0.35 0.58 -0.13 0.00 0.00 178.44 180.54 2dky h VAL 54 N 0.51 0.39 0.14 1.05 2.07 0.24 0.13 116.25 120.77 2dky h VAL 54 Ca -0.07 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.16 2dky h VAL 54 Cb 1.46 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2dky h VAL 54 CO 0.17 0.00 -1.39 0.11 0.02 0.00 0.00 177.57 176.48 2dky h LYS 55 N 0.00 0.29 -0.25 1.57 1.57 -1.44 -3.08 116.57 115.23 2dky h LYS 55 Ca 0.14 -0.49 -0.19 0.00 -1.87 0.00 0.00 60.65 58.25 2dky h LYS 55 Cb 0.84 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2dky h LYS 55 CO -0.00 1.20 -0.57 0.00 -0.57 0.00 0.00 179.45 179.50 2dky h ARG 56 N 0.08 0.81 0.25 3.15 -0.00 -0.81 -2.72 114.38 115.14 2dky h ARG 56 Ca -0.19 -0.53 -0.01 0.00 -0.50 0.00 0.00 59.98 58.75 2dky h ARG 56 Cb 2.01 0.07 0.00 0.00 0.00 0.00 0.00 29.97 32.05 2dky h ARG 56 CO 0.19 1.15 -0.12 0.93 0.00 0.00 0.00 179.97 182.13 2dky h GLU 57 N 0.61 -0.33 -1.40 0.04 4.39 -1.19 -2.96 114.58 113.74 2dky h GLU 57 Ca 0.01 0.02 -0.39 0.00 0.34 0.00 0.00 59.36 59.34 2dky h GLU 57 Cb 1.17 0.07 -0.17 0.00 -0.10 0.00 0.00 28.75 29.73 2dky h GLU 57 CO 0.12 -0.10 0.50 0.72 -1.16 0.00 0.00 179.01 179.10 2dky n HIS 58 N -5.16 1.87 0.12 4.33 8.25 -1.16 -4.55 115.22 118.91 2dky n HIS 58 Ca -0.09 -2.13 0.07 0.00 -0.26 0.00 0.00 57.72 55.30 2dky n HIS 58 Cb 0.21 -1.04 0.35 0.00 1.12 0.00 0.00 29.99 30.64 2dky n HIS 58 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2dky n ASP 59 N 0.07 0.34 0.09 0.41 5.75 -1.03 -0.43 116.55 121.76 2dky n ASP 59 Ca 0.36 0.60 -0.07 0.00 -0.01 0.00 0.00 54.79 55.68 2dky n ASP 59 Cb 0.62 -0.62 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2dky n ASP 59 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 2dky h PHE 60 N 0.00 0.19 -3.62 2.11 -0.00 -1.87 -3.46 116.94 110.29 2dky h PHE 60 Ca 0.00 -0.11 -0.48 0.00 -0.00 0.00 0.00 57.97 57.38 2dky h PHE 60 Cb 0.22 -0.02 0.21 0.00 -0.00 0.00 0.00 35.95 36.36 2dky h PHE 60 CO 0.00 0.93 -0.04 1.28 -0.00 0.00 0.00 178.31 180.48 2dky n LEU 61 N -3.62 0.65 -4.96 2.10 4.77 0.43 -5.02 117.00 111.36 2dky n LEU 61 Ca -0.03 0.13 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 2dky n LEU 61 Cb 0.80 -1.33 0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2dky n LEU 61 CO 0.47 -2.83 0.57 -1.81 -1.33 0.00 0.00 177.39 172.46 2dky s ASP 62 N -2.43 4.58 0.18 -1.43 1.01 -1.26 -4.87 116.67 112.45 2dky s ASP 62 Ca 0.66 0.07 -0.13 0.00 0.71 0.00 0.00 52.55 53.86 2dky s ASP 62 Cb -0.23 -0.62 0.12 0.00 1.01 0.00 0.00 42.92 43.20 2dky s ASP 62 CO 0.62 -1.70 1.82 -0.09 0.21 0.00 0.00 175.17 176.03 2dky h ARG 63 N -0.54 0.65 0.10 8.23 1.12 -1.98 -1.16 114.38 120.80 2dky h ARG 63 Ca -0.41 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.41 2dky h ARG 63 Cb 1.29 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2dky h ARG 63 CO 0.50 0.43 -0.05 0.38 -3.11 0.00 0.00 179.97 178.12 2dky h ASP 64 N 0.67 -0.12 -0.18 -3.80 3.04 -1.99 -1.17 116.42 112.87 2dky h ASP 64 Ca 0.22 -0.18 0.05 0.00 -3.24 0.00 0.00 57.03 53.88 2dky h ASP 64 Cb 0.01 0.03 -0.06 0.00 -1.04 0.00 0.00 39.33 38.27 2dky h ASP 64 CO -0.09 0.12 -0.24 0.00 -2.04 0.00 0.00 179.24 176.98 2dky h ALA 65 N 0.52 -0.18 -0.73 4.15 0.00 -1.89 0.12 119.26 121.25 2dky h ALA 65 Ca -0.01 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2dky h ALA 65 Cb 0.29 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2dky h ALA 65 CO 0.02 -0.69 0.47 0.82 0.00 0.00 0.00 179.25 179.87 2dky h ILE 66 N -0.28 1.12 -0.17 0.00 1.08 -1.20 0.16 117.51 118.22 2dky h ILE 66 Ca 0.12 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2dky h ILE 66 Cb 0.46 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2dky h ILE 66 CO -0.34 0.17 0.11 -0.33 -0.69 0.00 0.00 178.15 177.06 2dky h GLU 67 N 0.92 0.22 -0.48 2.37 4.39 -0.36 0.38 114.58 122.01 2dky h GLU 67 Ca 0.29 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.88 2dky h GLU 67 Cb -0.02 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2dky h GLU 67 CO -0.10 0.15 -0.08 0.00 -1.16 0.00 0.00 179.01 177.82 2dky h ALA 68 N 1.06 0.94 0.07 3.43 0.00 -0.45 -0.83 119.26 123.48 2dky h ALA 68 Ca 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dky h ALA 68 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2dky h ALA 68 CO -0.01 0.62 -0.03 1.25 0.00 0.00 0.00 179.25 181.08 2dky h LEU 69 N 0.78 -0.08 -1.32 0.00 5.85 -0.37 -2.92 115.31 117.25 2dky h LEU 69 Ca 0.13 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 2dky h LEU 69 Cb 0.59 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2dky h LEU 69 CO 0.04 0.14 -0.22 0.00 -0.34 0.00 0.00 178.44 178.05 2dky h ARG 71 N 0.17 0.00 0.00 0.00 2.47 -0.94 0.26 114.38 116.34 2dky h ARG 71 Ca 0.03 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.43 2dky h ARG 71 Cb 0.49 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 2dky h ARG 71 CO 0.03 0.00 -1.88 0.54 0.56 0.00 0.00 179.97 179.22 2dky n ARG 72 N -3.01 0.57 -0.06 0.04 3.00 -0.92 -4.06 116.66 112.22 2dky n ARG 72 Ca 0.00 0.36 -0.07 0.00 -0.01 0.00 0.00 57.85 58.14 2dky n ARG 72 Cb 0.51 -1.57 -0.01 0.00 0.00 0.00 0.00 32.46 31.39 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 -0.48 -0.64 0.55 3.38 -1.29 -1.66 115.31 114.17 2dky h LEU 73 Ca -0.48 0.11 0.12 0.00 0.09 0.00 0.00 57.88 57.72 2dky h LEU 73 Cb 1.39 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 42.31 2dky h LEU 73 CO -0.29 -0.18 0.17 -0.55 0.09 0.00 0.00 178.44 177.68 2dky h ASN 74 N -0.11 0.08 -0.03 -0.43 7.08 -1.21 0.26 115.58 121.22 2dky h ASN 74 Ca 0.14 0.11 0.01 0.00 -3.08 0.00 0.00 56.30 53.48 2dky h ASN 74 Cb 0.33 0.13 -0.00 0.00 -2.08 0.00 0.00 38.32 36.70 2dky h ASN 74 CO -0.34 0.04 0.02 0.74 -2.08 0.00 0.00 177.43 175.81 2dky h THR 75 N 0.31 0.84 0.07 6.14 2.02 -1.47 -1.62 112.91 119.20 2dky h THR 75 Ca 0.34 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 67.26 2dky h THR 75 Cb 0.51 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2dky h THR 75 CO -0.40 0.00 -1.30 -0.07 0.37 0.00 0.00 175.52 174.12 2dky h LEU 76 N 0.00 0.22 0.25 2.58 3.38 0.01 -3.24 115.31 118.52 2dky h LEU 76 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2dky h LEU 76 Cb 0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2dky h LEU 76 CO -0.00 1.22 -0.45 0.78 0.09 0.00 0.00 178.44 180.09 2dky h ASN 77 N 0.04 -1.29 -0.54 -0.43 -0.26 0.08 0.29 115.58 113.47 2dky h ASN 77 Ca -0.14 0.12 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 2dky h ASN 77 Cb 1.92 0.46 -0.03 0.00 -1.06 0.00 0.00 38.32 39.61 2dky h ASN 77 CO 0.15 -0.52 0.36 0.07 -1.06 0.00 0.00 177.43 176.43 2dky h LYS 78 N -0.75 0.47 0.00 0.81 2.10 -1.70 0.21 116.57 117.72 2dky h LYS 78 Ca -0.03 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.54 2dky h LYS 78 Cb 0.70 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2dky h LYS 78 CO -0.16 0.31 -0.24 0.00 -2.00 0.00 0.00 179.45 177.36 2dky n ALA 80 N -2.25 2.41 -0.06 0.00 0.00 0.94 -4.25 120.51 117.32 2dky n ALA 80 Ca -0.00 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 2dky n ALA 80 Cb 0.43 -0.92 -0.15 0.00 0.00 0.00 0.00 19.45 18.81 2dky n ALA 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dky n VAL 81 N -2.61 1.52 -0.26 0.00 0.31 0.50 -4.23 118.33 113.56 2dky n VAL 81 Ca -0.05 -0.81 0.29 0.00 -0.01 0.00 0.00 64.34 63.76 2dky n VAL 81 Cb 0.65 -0.83 0.45 0.00 -0.91 0.00 0.00 33.84 33.21 2dky n VAL 81 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2dky n MET 82 N -2.94 0.01 -0.24 5.55 0.00 0.16 0.02 117.12 119.69 2dky n MET 82 Ca -0.25 0.98 0.04 0.00 0.00 0.00 0.00 57.70 58.47 2dky n MET 82 Cb 1.10 -2.42 0.15 0.00 0.00 0.00 0.00 33.22 32.05 2dky n MET 82 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2dky h LYS 83 N 0.00 0.15 0.52 3.17 3.11 -1.83 -2.66 116.57 119.04 2dky h LYS 83 Ca 0.52 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 58.32 2dky h LYS 83 Cb 2.90 -0.03 0.01 0.00 -1.00 0.00 0.00 32.23 34.10 2dky h LYS 83 CO -0.01 0.10 -0.25 -0.07 -2.81 0.00 0.00 179.45 176.42 2dky h LEU 84 N 0.16 -0.59 -9.69 5.20 4.07 -0.74 -3.44 115.31 110.27 2dky h LEU 84 Ca 0.39 0.02 -0.57 0.00 0.08 0.00 0.00 57.88 57.81 2dky h LEU 84 Cb 0.67 0.15 0.18 0.00 1.08 0.00 0.00 40.66 42.75 2dky h LEU 84 CO -0.58 -0.37 -0.24 -0.62 -1.08 0.00 0.00 178.44 175.56 2dky n GLU 85 N -4.18 0.48 -3.54 1.13 -0.58 -1.00 -4.94 120.64 108.01 2dky n GLU 85 Ca -0.09 0.20 -0.34 0.00 -0.42 0.00 0.00 57.16 56.51 2dky n GLU 85 Cb 0.28 -1.91 -0.06 0.00 -0.57 0.00 0.00 31.44 29.17 2dky n GLU 85 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2dky n SER 86 N -0.39 4.31 -3.54 1.62 3.41 -1.26 -4.90 113.62 112.87 2dky n SER 86 Ca 0.12 -3.24 -0.35 0.00 -0.26 0.00 0.00 58.87 55.13 2dky n SER 86 Cb 0.49 -0.98 0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2dky n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dky n GLY 87 N 1.84 -0.17 0.00 5.00 0.00 -1.26 -4.78 105.19 105.83 2dky n GLY 87 Ca 0.24 1.06 0.07 0.00 0.00 0.00 0.00 46.02 47.39 2dky n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dky n PRO 88 N -0.67 0.29 -0.50 1.61 -0.04 -1.26 -4.82 135.00 129.62 2dky n PRO 88 Ca -0.13 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 2dky n PRO 88 Cb 0.68 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.89 2dky n PRO 88 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dky s SER 89 N -2.39 0.98 0.46 3.54 0.01 -1.26 -4.97 113.70 110.06 2dky s SER 89 Ca 0.17 1.63 -0.21 0.00 1.31 0.00 0.00 55.95 58.84 2dky s SER 89 Cb 0.10 -2.37 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 2dky s SER 89 CO 0.21 -4.22 1.02 -0.44 0.41 0.00 0.00 173.24 170.22 2dky s SER 90 N -2.44 6.55 0.00 2.44 0.01 -1.26 -5.20 113.70 113.80 2dky s SER 90 Ca 0.69 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2dky s SER 90 Cb -0.25 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2dky s SER 90 CO 0.65 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.27