#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 -0.78 -0.17 1.61 1.04 -1.26 -5.16 113.70 108.99 2dky s SER 2 Ca 0.00 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 56.70 2dky s SER 2 Cb 0.00 1.60 0.07 0.00 0.10 0.00 0.00 66.02 67.78 2dky s SER 2 CO 0.00 -0.14 0.39 -0.94 0.98 0.00 0.00 173.24 173.53 2dky s SER 3 N 2.92 -0.38 -0.04 7.02 1.04 -1.26 -5.16 113.70 117.84 2dky s SER 3 Ca 0.11 0.87 -0.29 0.00 0.48 0.00 0.00 55.95 57.11 2dky s SER 3 Cb -0.10 0.87 0.10 0.00 0.10 0.00 0.00 66.02 66.99 2dky s SER 3 CO -0.17 -0.20 1.32 -0.83 0.98 0.00 0.00 173.24 174.33 2dky s GLY 4 N 1.73 -0.17 0.20 7.32 0.00 -1.26 -5.18 107.32 109.96 2dky s GLY 4 Ca -0.07 0.11 0.09 0.00 0.00 0.00 0.00 44.72 44.85 2dky s GLY 4 CO -0.12 5.75 -0.17 -0.45 0.00 0.00 0.00 173.10 178.12 2dky s SER 5 N -3.82 2.76 0.05 1.64 0.15 -1.26 -5.16 113.70 108.07 2dky s SER 5 Ca 0.30 -0.97 0.02 0.00 0.70 0.00 0.00 55.95 56.00 2dky s SER 5 Cb 0.00 -0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 2dky s SER 5 CO -0.02 -0.09 -0.08 -0.55 1.20 0.00 0.00 173.24 173.70 2dky s SER 6 N -3.13 0.95 0.10 5.45 0.15 -1.26 -5.16 113.70 110.80 2dky s SER 6 Ca 0.21 -0.62 0.08 0.00 0.70 0.00 0.00 55.95 56.32 2dky s SER 6 Cb -0.03 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.28 2dky s SER 6 CO 0.08 -0.23 -0.13 -0.83 1.20 0.00 0.00 173.24 173.32 2dky s GLY 7 N -1.80 1.74 0.36 9.45 0.00 -1.26 -5.09 107.32 110.73 2dky s GLY 7 Ca -0.06 -1.27 -0.26 0.00 0.00 0.00 0.00 44.72 43.12 2dky s GLY 7 CO -0.00 -1.24 1.08 1.03 0.00 0.00 0.00 173.10 173.97 2dky n MET 8 N 0.81 1.56 -4.99 2.90 2.81 -1.26 -5.00 117.12 113.95 2dky n MET 8 Ca -0.14 0.55 -0.28 0.00 -1.81 0.00 0.00 57.70 56.02 2dky n MET 8 Cb 0.52 -2.07 -0.16 0.00 -0.71 0.00 0.00 33.22 30.81 2dky n MET 8 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2dky n ARG 10 N 3.04 1.66 -3.64 0.00 1.74 -1.26 -4.91 116.66 113.29 2dky n ARG 10 Ca -0.18 0.48 -0.08 0.00 -0.77 0.00 0.00 57.85 57.30 2dky n ARG 10 Cb 0.53 -2.88 -0.07 0.00 -1.02 0.00 0.00 32.46 29.02 2dky n ARG 10 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2dky s LYS 11 N 6.04 0.71 -0.81 5.56 -2.85 -1.26 -5.10 119.74 122.02 2dky s LYS 11 Ca 1.03 1.13 0.01 0.00 -1.00 0.00 0.00 55.97 57.14 2dky s LYS 11 Cb -0.57 0.19 0.20 0.00 -2.06 0.00 0.00 37.83 35.58 2dky s LYS 11 CO 0.42 -0.13 0.66 0.15 0.10 0.00 0.00 175.35 176.55 2dky s LYS 12 N 1.35 2.96 0.95 1.78 3.01 -1.26 -5.08 119.74 123.45 2dky s LYS 12 Ca -0.08 -3.26 -0.12 0.00 -1.01 0.00 0.00 55.97 51.50 2dky s LYS 12 Cb -0.05 -3.76 0.16 0.00 -1.01 0.00 0.00 37.83 33.17 2dky s LYS 12 CO -0.15 -1.26 1.09 -1.25 0.51 0.00 0.00 175.35 174.29 2dky s PRO 13 N -1.31 0.81 -0.14 -1.68 0.04 -1.26 -5.03 135.00 126.44 2dky s PRO 13 Ca 0.26 0.66 -0.08 0.00 0.04 0.00 0.00 61.00 61.88 2dky s PRO 13 Cb -0.07 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2dky s PRO 13 CO -0.13 -2.51 -0.16 -0.44 0.04 0.00 0.00 177.00 173.80 2dky h ASP 14 N -1.73 0.00 -3.19 6.66 5.19 -2.03 -3.47 116.42 117.85 2dky h ASP 14 Ca -0.52 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.29 2dky h ASP 14 Cb 1.31 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 40.74 2dky h ASP 14 CO 0.56 0.72 -0.25 0.42 -3.12 0.00 0.00 179.24 177.57 2dky s THR 15 N -2.16 5.21 0.09 0.35 -4.23 -1.26 -4.93 115.64 108.71 2dky s THR 15 Ca -0.13 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 2dky s THR 15 Cb 0.02 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2dky s THR 15 CO 0.20 0.43 0.00 0.80 -0.54 0.00 0.00 174.62 175.51 2dky n MET 16 N 3.05 0.00 -0.03 3.99 1.56 -1.26 -4.89 117.12 119.53 2dky n MET 16 Ca -0.12 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.17 2dky n MET 16 Cb 0.52 -0.13 -0.11 0.00 2.15 0.00 0.00 33.22 35.65 2dky n MET 16 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2dky h ILE 17 N 0.00 1.55 -0.86 1.12 1.08 -2.02 -3.30 117.51 115.08 2dky h ILE 17 Ca 0.00 -1.79 0.21 0.00 -0.39 0.00 0.00 64.86 62.90 2dky h ILE 17 Cb 0.16 2.70 -0.16 0.00 -3.07 0.00 0.00 36.82 36.45 2dky h ILE 17 CO 0.00 0.48 -0.06 -0.11 -0.69 0.00 0.00 178.15 177.77 2dky n LEU 18 N -4.62 -0.17 0.21 1.44 0.00 -1.26 -0.00 117.00 112.60 2dky n LEU 18 Ca -0.09 1.46 -0.16 0.00 0.00 0.00 0.00 56.01 57.21 2dky n LEU 18 Cb 0.42 -0.50 -0.09 0.00 0.00 0.00 0.00 43.42 43.26 2dky n LEU 18 CO 0.37 -1.45 0.56 0.71 0.00 0.00 0.00 177.39 177.58 2dky h THR 19 N 0.00 0.10 -0.76 1.96 1.35 -1.90 -2.36 112.91 111.30 2dky h THR 19 Ca 0.48 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.53 2dky h THR 19 Cb 0.92 0.10 -0.14 0.00 -1.73 0.00 0.00 68.15 67.30 2dky h THR 19 CO -0.83 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 174.39 2dky n GLN 20 N -5.51 -0.06 0.41 4.72 3.00 1.00 -0.26 117.38 120.67 2dky n GLN 20 Ca -0.10 1.15 -0.16 0.00 -0.01 0.00 0.00 57.00 57.88 2dky n GLN 20 Cb 0.42 -1.79 -0.08 0.00 0.00 0.00 0.00 30.24 28.79 2dky n GLN 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2dky h ILE 21 N 0.00 0.00 -0.65 5.09 5.03 -1.33 0.23 117.51 125.88 2dky h ILE 21 Ca 0.43 -0.01 0.06 0.00 -0.12 0.00 0.00 64.86 65.23 2dky h ILE 21 Cb 0.82 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 34.52 2dky h ILE 21 CO -0.73 0.00 -0.52 -0.33 -0.68 0.00 0.00 178.15 175.89 2dky h GLU 22 N -1.05 -0.16 0.05 2.37 5.08 -0.39 0.18 114.58 120.65 2dky h GLU 22 Ca -0.11 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2dky h GLU 22 Cb 0.80 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 2dky h GLU 22 CO 0.18 -0.11 -0.17 0.00 -1.00 0.00 0.00 179.01 177.91 2dky h ALA 23 N 0.11 -0.25 -0.56 3.43 0.00 -1.28 -2.75 119.26 117.96 2dky h ALA 23 Ca 0.11 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2dky h ALA 23 Cb 0.45 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 2dky h ALA 23 CO -0.70 -0.68 -0.30 0.87 0.00 0.00 0.00 179.25 178.43 2dky h LYS 24 N -0.31 -0.15 -0.22 0.00 1.79 0.64 0.37 116.57 118.69 2dky h LYS 24 Ca 0.04 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.55 2dky h LYS 24 Cb 0.35 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.97 2dky h LYS 24 CO -0.13 -0.10 -0.55 0.93 -1.08 0.00 0.00 179.45 178.52 2dky h GLU 25 N -0.16 -0.51 0.30 3.15 4.39 -0.41 0.26 114.58 121.61 2dky h GLU 25 Ca 0.23 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2dky h GLU 25 Cb 0.54 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 2dky h GLU 25 CO -0.65 -0.34 -0.49 0.00 -1.16 0.00 0.00 179.01 176.37 2dky h ALA 26 N -0.22 -1.00 -0.22 3.43 0.00 -1.11 -2.48 119.26 117.66 2dky h ALA 26 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2dky h ALA 26 Cb 0.65 0.77 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 2dky h ALA 26 CO -0.49 -1.12 -0.48 0.00 0.00 0.00 0.00 179.25 177.17 2dky h ASP 28 N -0.44 0.20 0.17 0.00 3.58 -0.36 -0.39 116.42 119.17 2dky h ASP 28 Ca 0.04 0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 2dky h ASP 28 Cb 0.56 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.71 2dky h ASP 28 CO -0.44 -0.14 -0.08 -0.25 -2.88 0.00 0.00 179.24 175.45 2dky h TRP 29 N 0.07 -0.21 -1.43 0.28 7.01 -0.22 -0.57 115.95 120.88 2dky h TRP 29 Ca 0.82 -0.01 0.48 0.00 2.11 0.00 0.00 58.89 62.30 2dky h TRP 29 Cb 2.73 0.07 -0.13 0.00 -2.10 0.00 0.00 29.16 29.74 2dky h TRP 29 CO -0.00 -0.13 0.94 1.28 -2.79 0.00 0.00 178.44 177.73 2dky n LEU 30 N -4.69 0.18 0.04 0.65 4.77 -0.02 0.20 117.00 118.12 2dky n LEU 30 Ca -0.03 1.30 -0.20 0.00 -0.03 0.00 0.00 56.01 57.06 2dky n LEU 30 Cb 0.09 -0.64 -0.14 0.00 -2.33 0.00 0.00 43.42 40.40 2dky n LEU 30 CO 0.07 -1.40 -0.60 -0.09 -1.33 0.00 0.00 177.39 174.03 2dky h ARG 31 N 0.00 0.28 -0.14 3.23 2.43 -1.34 0.64 114.38 119.47 2dky h ARG 31 Ca 0.87 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2dky h ARG 31 Cb 2.91 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 32.64 2dky h ARG 31 CO -0.39 1.16 0.00 0.00 -1.51 0.00 0.00 179.97 179.22 2dky n ALA 32 N -2.85 2.51 -0.06 2.80 0.00 0.36 -3.67 120.51 119.61 2dky n ALA 32 Ca -0.25 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 52.78 2dky n ALA 32 Cb 1.06 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.05 0.73 0.00 0.00 5.66 0.52 -4.97 114.28 116.18 2dky n THR 33 Ca 0.11 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 2dky n THR 33 Cb 0.19 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 68.12 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 2.62 0.41 3.07 1.09 0.00 -1.19 -5.07 105.19 106.12 2dky n GLY 34 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2dky n GLY 34 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dky n PHE 35 N 0.00 4.13 0.74 1.61 3.72 0.22 -4.87 117.46 123.02 2dky n PHE 35 Ca 0.00 -4.02 0.07 0.00 -0.05 0.00 0.00 57.45 53.46 2dky n PHE 35 Cb 0.00 -1.15 0.39 0.00 -0.94 0.00 0.00 39.48 37.78 2dky n PHE 35 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2dky n PRO 36 N 2.15 0.26 -0.02 -1.08 -0.04 -1.18 -2.55 135.00 132.54 2dky n PRO 36 Ca 0.23 0.12 -0.16 0.00 -0.04 0.00 0.00 63.50 63.65 2dky n PRO 36 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2dky n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dky n GLN 37 N -1.23 0.70 0.25 0.54 0.00 -1.26 -3.49 117.38 112.88 2dky n GLN 37 Ca 0.08 0.25 0.09 0.00 0.00 0.00 0.00 57.00 57.42 2dky n GLN 37 Cb 0.11 -1.71 0.63 0.00 0.00 0.00 0.00 30.24 29.26 2dky n GLN 37 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2dky h TYR 38 N 0.04 0.00 0.00 2.61 0.05 -1.80 -0.82 116.97 117.04 2dky h TYR 38 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2dky h TYR 38 Cb 2.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.77 2dky h TYR 38 CO 0.04 0.15 -0.72 0.00 -1.05 0.00 0.00 178.16 176.58 2dky h ALA 39 N 1.85 0.52 0.12 3.88 0.00 -1.71 -3.35 119.26 120.57 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 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2dky h ALA 39 CO 0.02 0.00 -1.83 0.37 0.00 0.00 0.00 179.25 177.81 2dky h GLN 40 N 0.00 0.24 -0.18 0.00 4.15 -1.33 -3.26 115.11 114.74 2dky h GLN 40 Ca 0.00 -0.42 0.03 0.00 0.77 0.00 0.00 58.65 59.04 2dky h GLN 40 Cb 0.75 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 2dky h GLN 40 CO 0.00 1.10 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.90 2dky h LEU 41 N 0.07 -0.14 -1.37 -2.39 3.38 -1.33 -1.68 115.31 111.85 2dky h LEU 41 Ca -0.36 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 2dky h LEU 41 Cb 2.04 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.88 2dky h LEU 41 CO 0.12 -0.04 -0.09 0.22 0.09 0.00 0.00 178.44 178.73 2dky h TYR 42 N 0.02 0.32 -0.32 1.13 5.03 -1.74 -1.21 116.97 120.20 2dky h TYR 42 Ca 0.08 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 2dky h TYR 42 Cb 0.12 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 2dky h TYR 42 CO -0.19 0.40 -0.01 0.93 -1.32 0.00 0.00 178.16 177.97 2dky h GLU 43 N 0.29 0.49 -0.39 1.82 5.08 -1.37 -1.31 114.58 119.18 2dky h GLU 43 Ca 0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2dky h GLU 43 Cb 0.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2dky h GLU 43 CO 0.02 0.52 0.00 -3.47 -1.00 0.00 0.00 179.01 175.08 2dky n ASP 44 N -4.29 1.81 -3.13 1.42 -0.08 -0.78 -4.89 116.55 106.61 2dky n ASP 44 Ca 0.01 -2.07 -0.18 0.00 -1.51 0.00 0.00 54.79 51.04 2dky n ASP 44 Cb 0.24 -0.27 0.07 0.00 2.34 0.00 0.00 41.12 43.51 2dky n ASP 44 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2dky n PHE 45 N 0.34 -2.24 -0.06 -0.67 3.72 -0.50 -4.93 117.46 113.13 2dky n PHE 45 Ca 0.10 0.85 -0.10 0.00 -0.05 0.00 0.00 57.45 58.25 2dky n PHE 45 Cb 0.32 -4.55 -0.15 0.00 -0.94 0.00 0.00 39.48 34.16 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 -4.09 0.62 -4.68 4.37 4.77 -0.51 -4.96 117.00 112.51 2dky n LEU 46 Ca -0.10 0.23 -0.31 0.00 -0.03 0.00 0.00 56.01 55.80 2dky n LEU 46 Cb 0.59 0.24 0.16 0.00 -2.33 0.00 0.00 43.42 42.08 2dky n LEU 46 CO 0.54 0.46 0.67 -0.36 -1.33 0.00 0.00 177.39 177.38 2dky s PHE 47 N -2.55 1.84 0.76 -1.77 0.40 -1.26 -4.59 117.98 110.82 2dky s PHE 47 Ca -0.08 1.68 -0.11 0.00 -0.60 0.00 0.00 56.93 57.82 2dky s PHE 47 Cb 0.07 -3.25 0.05 0.00 0.51 0.00 0.00 43.02 40.40 2dky s PHE 47 CO 0.82 -2.65 1.09 -1.25 0.70 0.00 0.00 175.22 173.93 2dky s PRO 48 N -4.70 2.29 0.47 0.24 0.04 -1.26 -4.73 135.00 127.35 2dky s PRO 48 Ca 0.65 1.19 0.07 0.00 0.04 0.00 0.00 61.00 62.95 2dky s PRO 48 Cb -0.21 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.42 2dky s PRO 48 CO 0.58 -1.62 0.35 0.96 0.04 0.00 0.00 177.00 177.31 2dky s ILE 49 N -2.85 2.15 -0.73 0.56 -4.36 -1.26 -5.04 121.20 109.67 2dky s ILE 49 Ca 0.62 -1.48 -0.25 0.00 -0.26 0.00 0.00 60.65 59.27 2dky s ILE 49 Cb -0.17 -2.63 0.04 0.00 1.25 0.00 0.00 42.46 40.95 2dky s ILE 49 CO 0.55 0.00 1.19 -1.81 0.24 0.00 0.00 174.94 175.11 2dky s ASP 50 N -4.15 6.18 0.00 4.36 1.01 -1.26 -4.90 116.67 117.92 2dky s ASP 50 Ca 0.41 -0.66 -0.19 0.00 0.71 0.00 0.00 52.55 52.81 2dky s ASP 50 Cb -0.01 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.30 2dky s ASP 50 CO 0.24 -1.70 0.95 0.40 0.21 0.00 0.00 175.17 175.27 2dky h ILE 51 N 6.04 0.00 -1.13 0.77 1.08 -1.99 -2.06 117.51 120.21 2dky h ILE 51 Ca -0.26 -0.25 0.41 0.00 -0.39 0.00 0.00 64.86 64.37 2dky h ILE 51 Cb 1.05 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.67 2dky h ILE 51 CO 1.25 0.00 0.69 -1.54 -0.69 0.00 0.00 178.15 177.87 2dky n SER 52 N -4.54 0.23 -0.03 1.72 3.41 -1.26 0.11 113.62 113.26 2dky n SER 52 Ca -0.08 1.34 -0.14 0.00 -0.26 0.00 0.00 58.87 59.73 2dky n SER 52 Cb 0.27 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 2dky n SER 52 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dky h LEU 53 N 0.00 0.08 -1.48 1.04 -0.00 -1.96 -2.38 115.31 110.61 2dky h LEU 53 Ca 0.79 -0.69 0.38 0.00 -0.00 0.00 0.00 57.88 58.36 2dky h LEU 53 Cb 2.39 -0.02 -0.11 0.00 -0.00 0.00 0.00 40.66 42.92 2dky h LEU 53 CO -0.52 0.76 0.83 0.58 -0.00 0.00 0.00 178.44 180.08 2dky h VAL 54 N -0.59 0.26 0.02 1.22 2.07 0.15 0.23 116.25 119.61 2dky h VAL 54 Ca -0.01 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2dky h VAL 54 Cb 0.76 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2dky h VAL 54 CO 0.01 0.03 -0.35 0.11 0.02 0.00 0.00 177.57 177.39 2dky h LYS 55 N 0.17 0.04 -0.85 1.57 1.57 -1.45 -2.84 116.57 114.77 2dky h LYS 55 Ca 0.73 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 59.59 2dky h LYS 55 Cb 2.28 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 34.53 2dky h LYS 55 CO -0.32 1.03 0.45 -0.09 -0.57 0.00 0.00 179.45 179.95 2dky h ARG 56 N -0.91 0.63 -0.13 3.15 2.43 -0.39 0.51 114.38 119.67 2dky h ARG 56 Ca -0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.99 2dky h ARG 56 Cb 1.14 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2dky h ARG 56 CO -0.02 0.42 -0.12 0.93 -1.51 0.00 0.00 179.97 179.66 2dky h GLU 57 N 0.65 0.32 -1.06 0.20 5.08 -0.79 -3.19 114.58 115.79 2dky h GLU 57 Ca 0.46 -0.16 -0.65 0.00 -1.00 0.00 0.00 59.36 58.01 2dky h GLU 57 Cb 0.63 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.61 2dky h GLU 57 CO -0.35 0.71 0.84 0.72 -1.00 0.00 0.00 179.01 179.93 2dky n HIS 58 N -4.59 3.09 0.30 4.33 8.25 -0.71 -4.60 115.22 121.28 2dky n HIS 58 Ca -0.06 -2.94 0.15 0.00 -0.26 0.00 0.00 57.72 54.61 2dky n HIS 58 Cb 0.34 -1.41 0.92 0.00 1.12 0.00 0.00 29.99 30.96 2dky n HIS 58 CO 0.00 0.00 0.00 0.22 0.64 0.00 0.00 176.34 177.20 2dky h ASP 59 N 1.96 0.00 -0.72 0.41 3.58 -0.00 -2.25 116.42 119.40 2dky h ASP 59 Ca 0.58 0.00 0.09 0.00 0.42 0.00 0.00 57.03 58.12 2dky h ASP 59 Cb 0.81 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.79 2dky h ASP 59 CO 1.52 0.00 0.37 2.19 -2.88 0.00 0.00 179.24 180.45 2dky h PHE 60 N 0.00 0.67 -2.02 0.28 -5.15 -1.84 -3.43 116.94 105.45 2dky h PHE 60 Ca -0.00 0.03 -0.52 0.00 -0.20 0.00 0.00 57.97 57.27 2dky h PHE 60 Cb 0.01 -0.19 0.24 0.00 0.22 0.00 0.00 35.95 36.22 2dky h PHE 60 CO 0.00 0.26 -1.80 1.28 -2.00 0.00 0.00 178.31 176.05 2dky n LEU 61 N -4.84 -4.02 -4.96 2.10 4.77 -0.85 -4.97 117.00 104.24 2dky n LEU 61 Ca 0.11 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.96 2dky n LEU 61 Cb 0.26 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.69 2dky n LEU 61 CO 0.26 -4.54 0.69 -1.81 -1.33 0.00 0.00 177.39 170.66 2dky s ASP 62 N -1.24 3.93 0.20 -1.43 1.01 -1.26 -4.85 116.67 113.02 2dky s ASP 62 Ca 0.43 0.03 -0.10 0.00 0.71 0.00 0.00 52.55 53.63 2dky s ASP 62 Cb -0.11 -0.32 0.13 0.00 1.01 0.00 0.00 42.92 43.62 2dky s ASP 62 CO 0.75 -2.17 1.79 -0.09 0.21 0.00 0.00 175.17 175.66 2dky h ARG 63 N -0.99 1.02 -0.25 8.23 2.43 -1.95 -0.70 114.38 122.16 2dky h ARG 63 Ca -0.41 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 58.57 2dky h ARG 63 Cb 1.26 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 2dky h ARG 63 CO 0.43 0.79 -0.03 0.22 -1.51 0.00 0.00 179.97 179.86 2dky h ASP 64 N 0.99 0.46 -0.73 -3.80 3.58 -1.98 0.62 116.42 115.56 2dky h ASP 64 Ca 0.25 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2dky h ASP 64 Cb 0.10 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2dky h ASP 64 CO -0.03 0.69 0.45 0.00 -2.88 0.00 0.00 179.24 177.47 2dky h ALA 65 N 0.78 0.93 0.20 -0.78 0.00 -1.89 -0.87 119.26 117.64 2dky h ALA 65 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dky h ALA 65 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dky h ALA 65 CO 0.02 0.39 -0.10 0.82 0.00 0.00 0.00 179.25 180.38 2dky h ILE 66 N 0.99 0.83 -0.94 0.00 1.08 -1.06 -0.14 117.51 118.27 2dky h ILE 66 Ca 0.26 -0.92 0.18 0.00 -0.39 0.00 0.00 64.86 63.99 2dky h ILE 66 Cb -0.05 1.32 -0.10 0.00 -3.07 0.00 0.00 36.82 34.91 2dky h ILE 66 CO -0.05 0.19 0.53 -0.33 -0.69 0.00 0.00 178.15 177.79 2dky h GLU 67 N -0.79 0.66 0.39 2.37 4.39 -0.82 0.28 114.58 121.06 2dky h GLU 67 Ca -0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2dky h GLU 67 Cb 0.51 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2dky h GLU 67 CO 0.05 0.44 -0.19 0.00 -1.16 0.00 0.00 179.01 178.15 2dky h ALA 68 N 1.62 -0.52 -0.85 3.43 0.00 -1.17 -2.65 119.26 119.13 2dky h ALA 68 Ca 0.54 -0.12 0.21 0.00 0.00 0.00 0.00 54.91 55.54 2dky h ALA 68 Cb 0.83 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 18.67 2dky h ALA 68 CO -0.39 -0.48 0.06 1.25 0.00 0.00 0.00 179.25 179.69 2dky h LEU 69 N -1.14 -0.31 -0.52 0.00 5.85 -0.72 0.30 115.31 118.77 2dky h LEU 69 Ca -0.05 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2dky h LEU 69 Cb 0.40 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2dky h LEU 69 CO 0.09 -0.22 0.30 0.00 -0.34 0.00 0.00 178.44 178.26 2dky h ARG 71 N 0.70 0.00 0.02 0.00 3.08 -0.04 -1.27 114.38 116.87 2dky h ARG 71 Ca 0.19 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.90 2dky h ARG 71 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2dky h ARG 71 CO -0.03 0.00 -1.85 0.54 -1.07 0.00 0.00 179.97 177.56 2dky n ARG 72 N -2.38 0.61 0.37 0.04 5.12 -0.49 -4.08 116.66 115.85 2dky n ARG 72 Ca -0.02 0.40 -0.15 0.00 -1.93 0.00 0.00 57.85 56.16 2dky n ARG 72 Cb 0.12 -1.65 -0.07 0.00 -1.16 0.00 0.00 32.46 29.70 2dky n ARG 72 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2dky h LEU 73 N -0.71 -0.81 -0.99 0.55 3.38 -0.64 -2.96 115.31 113.12 2dky h LEU 73 Ca -0.48 0.03 0.35 0.00 0.09 0.00 0.00 57.88 57.87 2dky h LEU 73 Cb 1.57 0.21 -0.18 0.00 0.09 0.00 0.00 40.66 42.35 2dky h LEU 73 CO -0.20 -0.55 0.33 -0.55 0.09 0.00 0.00 178.44 177.56 2dky h ASN 74 N -1.01 0.01 -0.40 -0.43 7.08 -1.51 0.50 115.58 119.82 2dky h ASN 74 Ca -0.10 0.26 0.08 0.00 -3.08 0.00 0.00 56.30 53.47 2dky h ASN 74 Cb 0.73 0.35 -0.08 0.00 -2.08 0.00 0.00 38.32 37.24 2dky h ASN 74 CO 0.16 -0.38 -0.11 0.74 -2.08 0.00 0.00 177.43 175.76 2dky h THR 75 N 0.03 0.58 -0.24 6.14 2.02 -1.67 -1.27 112.91 118.50 2dky h THR 75 Ca 0.74 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.78 2dky h THR 75 Cb 1.78 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2dky h THR 75 CO -0.82 0.00 -0.42 -0.07 0.37 0.00 0.00 175.52 174.58 2dky h LEU 76 N -0.01 0.62 0.16 2.58 3.38 -0.01 -2.63 115.31 119.39 2dky h LEU 76 Ca 0.19 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2dky h LEU 76 Cb 0.31 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2dky h LEU 76 CO -0.42 0.96 -0.52 0.78 0.09 0.00 0.00 178.44 179.33 2dky h ASN 77 N 0.47 -1.55 0.41 -0.43 2.35 -0.03 0.50 115.58 117.30 2dky h ASN 77 Ca 0.04 0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2dky h ASN 77 Cb 0.93 0.57 -0.00 0.00 0.05 0.00 0.00 38.32 39.86 2dky h ASN 77 CO 0.08 -0.56 -0.10 0.07 -1.65 0.00 0.00 177.43 175.27 2dky h LYS 78 N -0.77 0.00 0.00 0.81 2.10 -1.43 -1.42 116.57 115.87 2dky h LYS 78 Ca -0.01 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 2dky h LYS 78 Cb 0.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 2dky h LYS 78 CO -0.26 0.10 -0.27 0.00 -2.00 0.00 0.00 179.45 177.01 2dky n ALA 80 N -2.18 1.59 -0.02 0.00 0.00 0.16 -4.21 120.51 115.86 2dky n ALA 80 Ca 0.02 -0.71 0.02 0.00 0.00 0.00 0.00 53.44 52.77 2dky n ALA 80 Cb 0.61 -0.88 -0.13 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.01 0.75 -0.40 0.00 3.14 -0.66 -4.36 118.33 113.79 2dky n VAL 81 Ca -0.15 -0.66 0.32 0.00 -2.96 0.00 0.00 64.34 60.89 2dky n VAL 81 Cb 1.00 -0.34 0.52 0.00 -1.06 0.00 0.00 33.84 33.97 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 -2.59 -0.02 -0.30 1.45 0.00 0.13 0.12 117.12 115.91 2dky n MET 82 Ca -0.14 0.85 -0.03 0.00 0.00 0.00 0.00 57.70 58.38 2dky n MET 82 Cb 0.81 -1.77 0.02 0.00 0.00 0.00 0.00 33.22 32.28 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 -0.08 0.48 3.17 3.11 -1.83 -0.96 116.57 120.46 2dky h LYS 83 Ca 0.65 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.48 2dky h LYS 83 Cb 2.29 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 33.53 2dky h LYS 83 CO -0.21 -0.05 -0.34 -0.07 -2.81 0.00 0.00 179.45 175.98 2dky h LEU 84 N -0.08 -0.86 -6.00 5.20 -0.00 -0.67 -3.44 115.31 109.46 2dky h LEU 84 Ca 0.29 0.06 0.19 0.00 -0.00 0.00 0.00 57.88 58.41 2dky h LEU 84 Cb 0.57 0.27 -0.21 0.00 -0.00 0.00 0.00 40.66 41.29 2dky h LEU 84 CO -0.85 -0.51 -0.01 -0.70 -0.00 0.00 0.00 178.44 176.37 2dky s GLU 85 N -6.03 0.28 0.01 1.13 2.12 -0.40 -5.05 118.70 110.76 2dky s GLU 85 Ca -0.17 0.43 -0.24 0.00 0.36 0.00 0.00 54.97 55.36 2dky s GLU 85 Cb 0.05 0.23 -0.17 0.00 0.26 0.00 0.00 34.13 34.50 2dky s GLU 85 CO 0.63 -0.36 1.34 0.66 -0.54 0.00 0.00 175.26 176.98 2dky h SER 86 N 7.86 0.14 -4.79 -1.70 4.64 -1.76 -3.43 113.55 114.51 2dky h SER 86 Ca -0.13 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 2dky h SER 86 Cb 1.17 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2dky h SER 86 CO -0.01 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 2dky n GLY 87 N 0.09 -2.20 3.77 -0.77 0.00 -1.26 -4.99 105.19 99.83 2dky n GLY 87 Ca -0.07 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.20 2.51 -0.21 1.61 0.04 -1.26 -4.92 135.00 132.58 2dky s PRO 88 Ca 0.00 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2dky s PRO 88 Cb 0.00 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 2dky s PRO 88 CO 0.00 -1.46 2.01 -1.12 0.04 0.00 0.00 177.00 176.47 2dky s SER 89 N -3.00 5.82 0.35 6.66 0.01 -1.26 -4.85 113.70 117.43 2dky s SER 89 Ca 0.64 1.84 0.02 0.00 1.31 0.00 0.00 55.95 59.76 2dky s SER 89 Cb -0.19 -2.52 0.63 0.00 0.21 0.00 0.00 66.02 64.16 2dky s SER 89 CO 0.49 -1.68 1.99 0.77 0.41 0.00 0.00 173.24 175.22 2dky h SER 90 N 13.35 0.69 -0.00 2.44 4.64 -1.97 -3.57 113.55 129.13 2dky h SER 90 Ca -0.40 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2dky h SER 90 Cb 1.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2dky h SER 90 CO 0.98 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 178.08