#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djk n PRO 2 N 0.00 0.43 -3.69 1.61 -0.02 -1.26 -4.90 135.00 127.16 2djk n PRO 2 Ca 0.00 -0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 60.79 2djk n PRO 2 Cb 0.00 -2.65 -0.05 0.00 -0.02 0.00 0.00 33.50 30.78 2djk n PRO 2 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2djk s LEU 3 N 9.65 4.33 0.00 2.45 0.05 -1.26 -5.11 118.68 128.80 2djk s LEU 3 Ca 1.10 0.61 0.00 0.00 0.05 0.00 0.00 54.13 55.89 2djk s LEU 3 Cb -0.47 -2.97 0.00 0.00 -2.05 0.00 0.00 46.19 40.70 2djk s LEU 3 CO 0.30 0.16 0.00 0.61 -0.55 0.00 0.00 176.35 176.87 2djk n GLY 4 N 0.69 0.38 2.73 -3.48 0.00 -1.26 -5.11 105.19 99.13 2djk n GLY 4 Ca -0.07 -1.66 0.02 0.00 0.00 0.00 0.00 46.02 44.31 2djk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djk s SER 5 N -1.00 -0.18 0.37 1.61 0.01 -1.26 -5.16 113.70 108.09 2djk s SER 5 Ca 0.00 -0.09 -0.27 0.00 1.31 0.00 0.00 55.95 56.90 2djk s SER 5 Cb 0.00 0.25 -0.09 0.00 0.21 0.00 0.00 66.02 66.39 2djk s SER 5 CO 0.00 -0.02 1.28 -2.16 0.41 0.00 0.00 173.24 172.75 2djk s PRO 6 N 2.01 4.18 0.00 12.44 0.04 -1.26 -5.00 135.00 147.41 2djk s PRO 6 Ca 0.15 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2djk s PRO 6 Cb 0.04 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2djk s PRO 6 CO -0.16 -0.30 0.00 1.28 0.04 0.00 0.00 177.00 177.86 2djk n LEU 7 N 0.47 0.87 -3.99 -3.56 4.77 -1.26 -5.02 117.00 109.29 2djk n LEU 7 Ca 0.02 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.82 2djk n LEU 7 Cb 0.43 -0.12 -0.16 0.00 -2.33 0.00 0.00 43.42 41.24 2djk n LEU 7 CO 0.57 -0.12 -0.45 0.27 -1.33 0.00 0.00 177.39 176.33 2djk s ILE 8 N -0.24 0.92 0.00 -0.08 -4.36 -1.26 -4.86 121.20 111.31 2djk s ILE 8 Ca 0.00 -0.38 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 2djk s ILE 8 Cb 0.00 -0.85 0.00 0.00 1.25 0.00 0.00 42.46 42.86 2djk s ILE 8 CO 0.00 0.30 0.00 0.61 0.24 0.00 0.00 174.94 176.09 2djk n GLY 9 N 3.70 0.07 3.09 6.27 0.00 0.12 -4.87 105.19 113.57 2djk n GLY 9 Ca -0.22 0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2djk n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2djk s GLU 10 N 0.00 1.50 0.14 1.61 2.02 -1.26 0.28 118.70 122.99 2djk s GLU 10 Ca 0.00 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 54.54 2djk s GLU 10 Cb 0.00 -1.33 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2djk s GLU 10 CO 0.00 0.20 0.08 0.42 0.02 0.00 0.00 175.26 175.98 2djk s ILE 11 N 0.09 4.26 0.00 -1.63 1.01 -0.97 -4.77 121.20 119.18 2djk s ILE 11 Ca -0.03 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2djk s ILE 11 Cb -0.10 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2djk s ILE 11 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.52 2djk n GLY 12 N -0.05 3.20 0.22 6.18 0.00 -1.26 -4.93 105.19 108.55 2djk n GLY 12 Ca -0.09 -0.78 0.02 0.00 0.00 0.00 0.00 46.02 45.17 2djk n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djk n PRO 13 N 0.00 1.27 -1.02 1.61 -0.04 -1.26 -3.59 135.00 131.97 2djk n PRO 13 Ca 0.00 -0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.07 2djk n PRO 13 Cb 0.00 -1.10 -0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2djk n PRO 13 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2djk n GLU 14 N -0.17 0.00 0.00 0.54 1.02 -1.26 -4.85 120.64 115.92 2djk n GLU 14 Ca 0.04 -1.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 2djk n GLU 14 Cb 0.10 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2djk n THR 15 N 0.23 0.00 -0.31 2.62 -2.24 -1.24 -4.72 114.28 108.62 2djk n THR 15 Ca -0.01 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.80 2djk n THR 15 Cb 0.88 -0.02 0.23 0.00 -2.10 0.00 0.00 70.33 69.32 2djk n THR 15 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2djk h TYR 16 N 0.00 1.06 -0.46 4.78 3.20 -1.89 -1.82 116.97 121.84 2djk h TYR 16 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.02 2djk h TYR 16 Cb 0.29 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 2djk h TYR 16 CO 0.00 0.58 0.33 1.03 -1.64 0.00 0.00 178.16 178.45 2djk h SER 17 N 1.06 0.08 0.37 -2.11 0.87 -1.93 0.67 113.55 112.55 2djk h SER 17 Ca 0.38 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.62 2djk h SER 17 Cb 0.14 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2djk h SER 17 CO -0.13 0.05 -1.70 -0.78 -0.53 0.00 0.00 176.83 173.74 2djk h ASP 18 N 0.09 0.33 0.95 6.23 1.82 -1.67 -1.00 116.42 123.16 2djk h ASP 18 Ca 0.22 -0.56 0.00 0.00 -0.39 0.00 0.00 57.03 56.30 2djk h ASP 18 Cb 0.75 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2djk h ASP 18 CO -0.02 1.48 -0.08 -1.22 -1.61 0.00 0.00 179.24 177.79 2djk n TYR 19 N -3.38 0.05 -0.05 0.28 4.01 -0.73 -0.95 117.16 116.39 2djk n TYR 19 Ca -0.21 0.01 -0.05 0.00 -0.16 0.00 0.00 57.90 57.50 2djk n TYR 19 Cb 1.05 -0.49 -0.10 0.00 -0.31 0.00 0.00 39.34 39.50 2djk n TYR 19 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2djk n MET 20 N -1.54 1.84 0.00 -0.72 1.56 0.23 -4.47 117.12 114.01 2djk n MET 20 Ca 0.07 -0.02 0.11 0.00 -0.27 0.00 0.00 57.70 57.59 2djk n MET 20 Cb 0.34 -1.31 0.08 0.00 2.15 0.00 0.00 33.22 34.49 2djk n MET 20 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2djk n SER 21 N -2.39 1.56 -0.12 6.12 2.88 -0.38 -4.25 113.62 117.04 2djk n SER 21 Ca -0.18 -1.23 -0.13 0.00 -1.33 0.00 0.00 58.87 56.00 2djk n SER 21 Cb 0.83 0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 64.73 2djk n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2djk h ALA 22 N 3.66 0.58 0.00 -1.46 0.00 -1.24 -3.48 119.26 117.32 2djk h ALA 22 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2djk h ALA 22 Cb 0.65 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2djk h ALA 22 CO 0.00 0.67 0.00 0.41 0.00 0.00 0.00 179.25 180.33 2djk n GLY 23 N 0.11 1.14 3.16 0.00 0.00 -1.26 -5.11 105.19 103.24 2djk n GLY 23 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2djk n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2djk s ILE 24 N -2.00 0.89 0.52 -0.61 -4.36 -1.26 -4.84 121.20 109.53 2djk s ILE 24 Ca 0.00 -1.55 -0.23 0.00 -0.26 0.00 0.00 60.65 58.61 2djk s ILE 24 Cb 0.00 -1.25 -0.06 0.00 1.25 0.00 0.00 42.46 42.40 2djk s ILE 24 CO 0.00 -0.52 1.39 -2.16 0.24 0.00 0.00 174.94 173.89 2djk s PRO 25 N -2.59 3.31 -0.10 0.37 0.04 -1.24 -4.25 135.00 130.55 2djk s PRO 25 Ca 0.03 2.32 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 2djk s PRO 25 Cb -0.04 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 2djk s PRO 25 CO 0.00 -1.08 0.30 -1.17 0.04 0.00 0.00 177.00 175.09 2djk s LEU 26 N -3.26 4.36 -0.62 -3.56 0.20 0.70 -0.58 118.68 115.91 2djk s LEU 26 Ca 0.68 0.66 -0.11 0.00 0.69 0.00 0.00 54.13 56.06 2djk s LEU 26 Cb -0.42 -2.38 0.16 0.00 -0.43 0.00 0.00 46.19 43.12 2djk s LEU 26 CO 0.51 0.24 0.51 0.00 -0.29 0.00 0.00 176.35 177.33 2djk s ALA 27 N -0.39 3.68 -0.01 5.97 0.00 0.11 0.11 121.76 131.23 2djk s ALA 27 Ca 0.19 -2.91 -0.28 0.00 0.00 0.00 0.00 51.96 48.96 2djk s ALA 27 Cb -0.14 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 2djk s ALA 27 CO 0.07 -2.07 0.88 0.71 0.00 0.00 0.00 175.76 175.35 2djk s TYR 28 N 0.78 3.65 -0.59 0.00 2.02 0.20 -1.10 117.35 122.32 2djk s TYR 28 Ca 0.11 1.56 0.04 0.00 -0.37 0.00 0.00 57.07 58.41 2djk s TYR 28 Cb -0.21 -3.00 0.16 0.00 -0.40 0.00 0.00 41.96 38.51 2djk s TYR 28 CO -0.03 0.06 0.39 0.42 -1.57 0.00 0.00 175.55 174.82 2djk s ILE 29 N 0.78 2.24 0.40 2.71 1.09 -0.48 -0.19 121.20 127.75 2djk s ILE 29 Ca 0.46 -3.61 -0.25 0.00 -1.10 0.00 0.00 60.65 56.15 2djk s ILE 29 Cb -0.20 -2.51 -0.08 0.00 -1.06 0.00 0.00 42.46 38.61 2djk s ILE 29 CO 0.25 -0.98 1.18 -0.36 -0.10 0.00 0.00 174.94 174.92 2djk s PHE 30 N -0.75 3.06 -0.28 3.97 0.40 0.17 -0.51 117.98 124.05 2djk s PHE 30 Ca 0.23 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 58.03 2djk s PHE 30 Cb -0.10 -3.41 0.13 0.00 0.51 0.00 0.00 43.02 40.15 2djk s PHE 30 CO -0.11 -1.36 0.59 0.00 0.70 0.00 0.00 175.22 175.04 2djk s ALA 31 N -1.41 -1.86 -0.66 5.36 0.00 0.79 0.38 121.76 124.37 2djk s ALA 31 Ca 0.57 2.07 0.22 0.00 0.00 0.00 0.00 51.96 54.81 2djk s ALA 31 Cb -0.31 -1.73 0.88 0.00 0.00 0.00 0.00 23.12 21.96 2djk s ALA 31 CO 0.39 -0.95 1.66 0.39 0.00 0.00 0.00 175.76 177.25 2djk n GLU 32 N 5.43 0.14 -2.88 0.00 1.02 -1.26 -2.49 120.64 120.60 2djk n GLU 32 Ca -0.10 0.34 -0.43 0.00 -0.02 0.00 0.00 57.16 56.95 2djk n GLU 32 Cb 0.49 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 2djk n GLU 32 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2djk s THR 33 N -3.20 4.44 -2.15 2.62 -4.23 -1.26 -4.78 115.64 107.09 2djk s THR 33 Ca 0.06 -0.71 0.17 0.00 -1.18 0.00 0.00 61.69 60.03 2djk s THR 33 Cb 0.10 -4.71 0.42 0.00 1.34 0.00 0.00 72.50 69.66 2djk s THR 33 CO 0.38 -1.46 1.41 0.00 -0.54 0.00 0.00 174.62 174.41 2djk n ALA 34 N 7.37 2.45 -0.05 3.99 0.00 -1.26 -2.87 120.51 130.14 2djk n ALA 34 Ca 0.04 -0.74 -0.09 0.00 0.00 0.00 0.00 53.44 52.65 2djk n ALA 34 Cb 0.46 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 2djk n ALA 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2djk n GLU 35 N 0.77 0.20 -0.04 0.00 1.02 -1.26 -4.65 120.64 116.68 2djk n GLU 35 Ca 0.16 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 2djk n GLU 35 Cb 0.40 -0.95 0.37 0.00 -0.02 0.00 0.00 31.44 31.24 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2djk n GLU 36 N -3.18 1.90 -0.63 3.49 0.28 -1.26 -4.41 120.64 116.82 2djk n GLU 36 Ca -0.17 -1.32 0.50 0.00 -0.16 0.00 0.00 57.16 56.00 2djk n GLU 36 Cb 0.64 -1.46 0.81 0.00 1.43 0.00 0.00 31.44 32.86 2djk n GLU 36 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 2djk h ARG 37 N 3.01 0.00 -0.51 3.44 0.11 -1.79 0.96 114.38 119.60 2djk h ARG 37 Ca 0.00 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.18 2djk h ARG 37 Cb 0.65 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.63 2djk h ARG 37 CO 0.00 0.00 -0.13 0.87 0.10 0.00 0.00 179.97 180.81 2djk h LYS 38 N 0.00 -0.00 -0.48 0.08 1.57 -1.89 0.33 116.57 116.17 2djk h LYS 38 Ca 0.86 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.61 2djk h LYS 38 Cb 3.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 35.78 2djk h LYS 38 CO -0.01 -0.00 0.18 0.93 -0.57 0.00 0.00 179.45 179.98 2djk h GLU 39 N -0.00 0.72 0.35 3.15 5.08 -1.17 -0.20 114.58 122.50 2djk h GLU 39 Ca 0.24 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2djk h GLU 39 Cb 0.37 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2djk h GLU 39 CO -0.53 0.65 -0.17 1.25 -1.00 0.00 0.00 179.01 179.22 2djk h LEU 40 N 0.63 -0.39 -2.21 1.33 7.12 -1.31 -2.39 115.31 118.09 2djk h LEU 40 Ca 0.16 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.13 2djk h LEU 40 Cb 0.20 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2djk h LEU 40 CO -0.01 -0.22 0.00 0.28 -0.13 0.00 0.00 178.44 178.36 2djk h SER 41 N -0.54 0.00 0.51 1.25 0.02 -0.36 -2.42 113.55 112.00 2djk h SER 41 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2djk h SER 41 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2djk h SER 41 CO 0.08 0.00 -0.24 -0.78 -1.14 0.00 0.00 176.83 174.74 2djk h ASP 42 N 0.00 -0.58 -1.07 3.07 3.58 -0.54 0.74 116.42 121.63 2djk h ASP 42 Ca 0.00 0.02 0.29 0.00 0.42 0.00 0.00 57.03 57.76 2djk h ASP 42 Cb 0.25 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.38 2djk h ASP 42 CO 0.00 -0.26 0.73 0.11 -2.88 0.00 0.00 179.24 176.94 2djk h LYS 43 N -0.98 0.17 0.00 0.28 6.56 -1.32 2.03 116.57 123.30 2djk h LYS 43 Ca -0.07 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.45 2djk h LYS 43 Cb 0.52 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.13 2djk h LYS 43 CO 0.11 0.11 -0.29 -0.07 -2.06 0.00 0.00 179.45 177.26 2djk h LEU 44 N 0.17 0.00 -0.69 2.94 3.38 -1.18 -3.01 115.31 116.92 2djk h LEU 44 Ca 0.55 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.64 2djk h LEU 44 Cb 1.83 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.49 2djk h LEU 44 CO -0.13 0.29 0.25 0.50 0.09 0.00 0.00 178.44 179.44 2djk h LYS 45 N 0.00 0.39 0.16 1.13 3.64 0.99 -1.25 116.57 121.63 2djk h LYS 45 Ca -0.00 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 2djk h LYS 45 Cb 1.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2djk h LYS 45 CO 0.04 0.26 -1.58 -1.00 -2.27 0.00 0.00 179.45 174.89 2djk h PRO 46 N 0.41 0.33 -0.13 1.90 0.13 -1.62 -1.87 132.00 131.15 2djk h PRO 46 Ca 0.36 -0.57 0.04 0.00 -0.87 0.00 0.00 66.00 64.96 2djk h PRO 46 Cb 0.52 0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 2djk h PRO 46 CO -0.37 1.22 0.51 0.82 -0.23 0.00 0.00 178.00 179.95 2djk h ILE 47 N 0.09 0.07 0.00 -3.56 2.04 -1.23 -0.60 117.51 114.32 2djk h ILE 47 Ca -0.27 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2djk h ILE 47 Cb 2.06 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 2djk h ILE 47 CO 0.18 0.00 -1.64 0.00 0.00 0.00 0.00 178.15 176.69 2djk n ALA 48 N -1.93 1.77 0.28 1.87 0.00 -0.54 -4.24 120.51 117.72 2djk n ALA 48 Ca 0.01 -0.59 0.18 0.00 0.00 0.00 0.00 53.44 53.05 2djk n ALA 48 Cb 0.59 0.10 0.97 0.00 0.00 0.00 0.00 19.45 21.11 2djk n ALA 48 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2djk h GLU 49 N 0.00 0.00 0.00 0.00 4.22 -0.27 1.48 114.58 120.01 2djk h GLU 49 Ca -0.25 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 58.95 2djk h GLU 49 Cb 1.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.74 2djk h GLU 49 CO 0.00 0.00 -1.57 0.00 -2.18 0.00 0.00 179.01 175.27 2djk n ALA 50 N -1.96 1.70 -1.92 2.92 0.00 -0.63 -4.15 120.51 116.47 2djk n ALA 50 Ca -0.02 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.65 2djk n ALA 50 Cb 0.08 -0.91 0.09 0.00 0.00 0.00 0.00 19.45 18.72 2djk n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2djk n GLN 51 N -2.97 2.69 0.08 0.00 10.64 0.13 -4.77 117.38 123.18 2djk n GLN 51 Ca -0.13 -3.76 -0.01 0.00 -1.83 0.00 0.00 57.00 51.26 2djk n GLN 51 Cb 0.95 -1.94 0.27 0.00 -0.86 0.00 0.00 30.24 28.66 2djk n GLN 51 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2djk h ARG 52 N 1.74 0.29 -0.57 2.61 0.11 0.16 0.20 114.38 118.92 2djk h ARG 52 Ca 0.19 -0.11 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2djk h ARG 52 Cb 1.34 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.40 2djk h ARG 52 CO 0.44 0.56 0.00 0.41 0.10 0.00 0.00 179.97 181.48 2djk n GLY 53 N -0.45 2.52 0.00 0.08 0.00 -1.26 -4.46 105.19 101.62 2djk n GLY 53 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2djk n GLY 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djk n VAL 54 N 1.22 0.00 -4.16 1.61 3.14 -1.09 -5.06 118.33 114.00 2djk n VAL 54 Ca 0.19 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.42 2djk n VAL 54 Cb 0.55 -0.76 -0.11 0.00 -1.06 0.00 0.00 33.84 32.45 2djk n VAL 54 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2djk s ILE 55 N -1.80 0.93 -0.39 1.55 1.01 0.67 -3.65 121.20 119.51 2djk s ILE 55 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.06 2djk s ILE 55 Cb 0.00 -1.17 0.03 0.00 0.01 0.00 0.00 42.46 41.33 2djk s ILE 55 CO 0.00 -0.44 0.25 0.20 0.00 0.00 0.00 174.94 174.94 2djk s ASN 56 N -2.12 5.88 0.02 3.58 0.01 0.25 -4.43 114.94 118.12 2djk s ASN 56 Ca 0.01 -0.99 -0.30 0.00 -0.71 0.00 0.00 52.86 50.87 2djk s ASN 56 Cb -0.06 -2.08 -0.06 0.00 0.41 0.00 0.00 41.25 39.47 2djk s ASN 56 CO 0.01 -0.42 1.40 0.12 -1.51 0.00 0.00 177.10 176.70 2djk s PHE 57 N 1.60 2.90 -0.29 2.20 5.36 -1.26 0.06 117.98 128.54 2djk s PHE 57 Ca 0.03 0.83 0.01 0.00 -0.96 0.00 0.00 56.93 56.84 2djk s PHE 57 Cb -0.19 -3.67 0.15 0.00 -0.34 0.00 0.00 43.02 38.97 2djk s PHE 57 CO 0.08 -2.47 0.37 0.20 -1.46 0.00 0.00 175.22 171.94 2djk s GLY 58 N 1.79 -0.41 0.51 13.12 0.00 -0.26 0.11 107.32 122.18 2djk s GLY 58 Ca 0.64 0.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.23 2djk s GLY 58 CO 0.27 2.89 1.01 -0.51 0.00 0.00 0.00 173.10 176.76 2djk s THR 59 N 2.48 4.20 0.18 0.90 -4.23 0.14 -1.38 115.64 117.93 2djk s THR 59 Ca 0.10 1.16 -0.12 0.00 -1.18 0.00 0.00 61.69 61.65 2djk s THR 59 Cb -0.13 -3.57 0.00 0.00 1.34 0.00 0.00 72.50 70.14 2djk s THR 59 CO -0.31 -0.50 0.37 -0.51 -0.54 0.00 0.00 174.62 173.13 2djk s ILE 60 N -2.39 0.05 -0.24 2.99 2.07 0.34 -2.30 121.20 121.71 2djk s ILE 60 Ca 0.62 -1.23 -0.21 0.00 -1.41 0.00 0.00 60.65 58.41 2djk s ILE 60 Cb -0.12 -1.82 -0.02 0.00 0.13 0.00 0.00 42.46 40.63 2djk s ILE 60 CO 0.27 -0.21 0.68 -0.62 -1.91 0.00 0.00 174.94 173.15 2djk s ASP 61 N -2.95 6.66 0.00 4.50 2.15 -1.26 -0.15 116.67 125.62 2djk s ASP 61 Ca 0.16 0.81 0.21 0.00 0.43 0.00 0.00 52.55 54.16 2djk s ASP 61 Cb 0.02 -2.36 1.04 0.00 -0.30 0.00 0.00 42.92 41.31 2djk s ASP 61 CO 0.00 -0.39 1.70 0.00 -0.17 0.00 0.00 175.17 176.31 2djk n ALA 62 N 5.65 2.58 -0.08 3.66 0.00 -1.04 -0.79 120.51 130.49 2djk n ALA 62 Ca 0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2djk n ALA 62 Cb 0.49 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 2djk n ALA 62 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2djk n LYS 63 N -0.31 1.18 -0.04 0.00 4.81 -1.26 -3.72 118.16 118.82 2djk n LYS 63 Ca 0.16 0.03 -0.04 0.00 -0.87 0.00 0.00 58.31 57.59 2djk n LYS 63 Cb 0.19 -1.41 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 2djk n LYS 63 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2djk n ALA 64 N -2.72 1.82 0.34 3.14 0.00 -1.24 -4.64 120.51 117.22 2djk n ALA 64 Ca -0.28 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 52.77 2djk n ALA 64 Cb 0.98 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 20.41 2djk n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2djk n PHE 65 N -2.28 0.00 -0.24 0.00 -0.00 0.03 -4.63 117.46 110.34 2djk n PHE 65 Ca -0.12 0.00 0.22 0.00 -0.00 0.00 0.00 57.45 57.56 2djk n PHE 65 Cb 0.73 -0.23 0.39 0.00 -0.00 0.00 0.00 39.48 40.37 2djk n PHE 65 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2djk n GLY 66 N 1.45 -0.49 0.08 7.13 0.00 -0.04 0.30 105.19 113.62 2djk n GLY 66 Ca -0.00 0.49 0.05 0.00 0.00 0.00 0.00 46.02 46.55 2djk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djk n ALA 67 N -2.55 0.90 0.85 4.61 0.00 -1.26 0.92 120.51 123.97 2djk n ALA 67 Ca 0.24 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.86 2djk n ALA 67 Cb 0.88 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 19.33 2djk n ALA 67 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2djk n HIS 68 N -1.81 0.00 0.02 0.00 -0.00 0.86 -4.08 115.22 110.20 2djk n HIS 68 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.60 2djk n HIS 68 Cb 0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.00 2djk n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2djk h ALA 69 N 3.38 -0.13 -0.36 1.57 0.00 0.47 -3.31 119.26 120.87 2djk h ALA 69 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2djk h ALA 69 Cb 0.67 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2djk h ALA 69 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 2djk n GLY 70 N 0.76 1.08 0.00 0.00 0.00 -1.24 -3.99 105.19 101.80 2djk n GLY 70 Ca -0.08 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.41 2djk n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djk n ASN 71 N 0.89 0.00 -0.00 1.61 2.04 -1.25 -0.64 115.26 117.91 2djk n ASN 71 Ca 0.17 0.49 0.03 0.00 -0.44 0.00 0.00 54.58 54.83 2djk n ASN 71 Cb 0.44 -0.49 -0.05 0.00 -2.53 0.00 0.00 39.78 37.15 2djk n ASN 71 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2djk n LEU 72 N -1.49 0.16 0.00 -4.53 -0.00 -1.26 -5.02 117.00 104.86 2djk n LEU 72 Ca 0.01 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2djk n LEU 72 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.48 2djk n LEU 72 CO 0.05 0.04 0.00 -3.20 -0.00 0.00 0.00 177.39 174.27 2djk n ASN 73 N -1.45 0.00 -3.91 1.45 4.05 0.18 -4.72 115.26 110.86 2djk n ASN 73 Ca -0.00 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.78 2djk n ASN 73 Cb 0.14 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.18 2djk n ASN 73 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2djk n LEU 74 N 0.00 -2.58 -0.10 1.20 7.99 -1.24 -4.83 117.00 117.45 2djk n LEU 74 Ca 0.00 -0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.87 2djk n LEU 74 Cb 0.00 -0.53 -0.14 0.00 -0.11 0.00 0.00 43.42 42.64 2djk n LEU 74 CO 0.00 -2.39 -1.14 0.29 -1.51 0.00 0.00 177.39 172.64 2djk n LYS 75 N 1.95 0.90 -1.30 3.23 5.02 -1.26 -4.04 118.16 122.66 2djk n LYS 75 Ca -0.01 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2djk n LYS 75 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2djk n THR 76 N -2.80 0.00 0.02 -0.18 -2.24 -1.26 -4.77 114.28 103.05 2djk n THR 76 Ca -0.33 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.26 2djk n THR 76 Cb 1.06 -0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.77 2djk n THR 76 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2djk h ASP 77 N 0.00 0.37 -3.71 3.42 3.32 -1.95 -3.48 116.42 114.39 2djk h ASP 77 Ca 0.00 -0.95 -0.39 0.00 0.02 0.00 0.00 57.03 55.71 2djk h ASP 77 Cb 0.55 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 39.84 2djk h ASP 77 CO 0.00 1.34 -0.68 -0.75 -1.72 0.00 0.00 179.24 177.43 2djk s LYS 78 N -2.39 1.28 0.27 3.56 2.20 -1.26 -5.16 119.74 118.24 2djk s LYS 78 Ca -0.15 -1.62 -0.18 0.00 -0.36 0.00 0.00 55.97 53.66 2djk s LYS 78 Cb 0.00 -0.74 0.01 0.00 -1.51 0.00 0.00 37.83 35.60 2djk s LYS 78 CO 0.80 -0.00 0.63 -0.06 -0.36 0.00 0.00 175.35 176.36 2djk s PHE 79 N -3.29 0.00 0.93 4.03 0.40 -1.26 -4.48 117.98 114.31 2djk s PHE 79 Ca 0.25 -0.42 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 2djk s PHE 79 Cb 0.04 0.52 0.15 0.00 0.51 0.00 0.00 43.02 44.24 2djk s PHE 79 CO 0.07 -1.15 1.14 -1.25 0.70 0.00 0.00 175.22 174.73 2djk s PRO 80 N -3.95 0.92 0.20 0.24 0.04 -1.26 -4.79 135.00 126.39 2djk s PRO 80 Ca 0.15 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.77 2djk s PRO 80 Cb -0.04 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 2djk s PRO 80 CO 0.07 -2.68 -0.14 0.00 0.04 0.00 0.00 177.00 174.29 2djk s ALA 81 N -2.64 1.95 -0.01 8.56 0.00 0.16 -4.76 121.76 125.01 2djk s ALA 81 Ca 0.67 -1.64 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2djk s ALA 81 Cb -0.23 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2djk s ALA 81 CO 0.58 0.05 -0.03 0.12 0.00 0.00 0.00 175.76 176.48 2djk s PHE 82 N -3.00 0.40 0.04 0.00 5.36 -1.26 0.46 117.98 119.98 2djk s PHE 82 Ca 0.22 -0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.15 2djk s PHE 82 Cb -0.00 -0.32 -0.02 0.00 -0.34 0.00 0.00 43.02 42.34 2djk s PHE 82 CO 0.06 -0.05 -0.09 0.00 -1.46 0.00 0.00 175.22 173.68 2djk s ALA 83 N 0.24 0.69 -0.43 11.12 0.00 0.74 0.11 121.76 134.24 2djk s ALA 83 Ca -0.02 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2djk s ALA 83 Cb -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 23.12 23.18 2djk s ALA 83 CO -0.00 0.04 0.18 0.42 0.00 0.00 0.00 175.76 176.39 2djk s ILE 84 N -1.20 2.02 0.18 0.00 1.01 0.18 0.61 121.20 124.01 2djk s ILE 84 Ca -0.07 -2.64 -0.30 0.00 0.00 0.00 0.00 60.65 57.64 2djk s ILE 84 Cb -0.09 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.86 2djk s ILE 84 CO 0.01 -0.75 1.02 -1.58 0.00 0.00 0.00 174.94 173.64 2djk s GLN 85 N 0.42 4.68 -0.29 2.79 -0.44 0.31 0.06 119.66 127.20 2djk s GLN 85 Ca 0.15 1.60 -0.07 0.00 -2.50 0.00 0.00 55.36 54.53 2djk s GLN 85 Cb -0.23 -3.30 -0.00 0.00 -1.64 0.00 0.00 33.01 27.84 2djk s GLN 85 CO -0.05 0.22 0.09 -1.21 0.50 0.00 0.00 175.29 174.84 2djk s GLU 86 N -0.52 3.24 0.00 1.67 2.02 0.35 0.25 118.70 125.72 2djk s GLU 86 Ca 0.46 -0.76 0.07 0.00 0.02 0.00 0.00 54.97 54.77 2djk s GLU 86 Cb -0.27 -3.38 0.33 0.00 0.10 0.00 0.00 34.13 30.90 2djk s GLU 86 CO 0.33 -0.39 1.23 1.33 0.02 0.00 0.00 175.26 177.78 2djk n VAL 87 N 4.89 0.11 -0.01 2.63 0.24 -1.26 -0.34 118.33 124.60 2djk n VAL 87 Ca -0.15 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.34 62.01 2djk n VAL 87 Cb 0.49 0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.87 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2djk n ALA 88 N -0.28 1.95 0.39 2.33 0.00 -1.26 -4.77 120.51 118.87 2djk n ALA 88 Ca 0.06 -0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2djk n ALA 88 Cb 0.10 0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2djk n ALA 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2djk n LYS 89 N -2.57 1.30 -1.16 0.00 3.00 -1.24 -4.99 118.16 112.50 2djk n LYS 89 Ca -0.04 -0.07 -0.06 0.00 -0.00 0.00 0.00 58.31 58.15 2djk n LYS 89 Cb 0.54 -1.29 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2djk n ASN 90 N -1.67 -3.71 -4.94 3.14 2.85 0.54 -5.02 115.26 106.45 2djk n ASN 90 Ca 0.00 0.14 -0.25 0.00 -0.11 0.00 0.00 54.58 54.37 2djk n ASN 90 Cb 0.31 -1.70 0.03 0.00 1.24 0.00 0.00 39.78 39.67 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2djk s GLN 91 N -2.41 2.76 -0.38 1.20 2.00 -1.23 -4.77 119.66 116.83 2djk s GLN 91 Ca 0.00 -0.31 0.02 0.00 -2.00 0.00 0.00 55.36 53.07 2djk s GLN 91 Cb 0.00 -2.36 0.16 0.00 0.80 0.00 0.00 33.01 31.60 2djk s GLN 91 CO 0.00 -0.69 0.29 0.15 -0.50 0.00 0.00 175.29 174.54 2djk s LYS 92 N -4.89 0.72 -0.71 1.67 -0.14 -1.25 0.13 119.74 115.28 2djk s LYS 92 Ca 0.54 -1.63 -0.26 0.00 -1.36 0.00 0.00 55.97 53.26 2djk s LYS 92 Cb -0.10 -1.27 0.04 0.00 -1.68 0.00 0.00 37.83 34.81 2djk s LYS 92 CO 0.42 -1.29 1.22 -0.06 -0.76 0.00 0.00 175.35 174.88 2djk s PHE 93 N 0.65 2.38 0.40 3.18 0.40 0.11 -4.62 117.98 120.48 2djk s PHE 93 Ca 0.25 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.58 2djk s PHE 93 Cb -0.10 -4.56 -0.02 0.00 0.51 0.00 0.00 43.02 38.86 2djk s PHE 93 CO -0.09 -1.95 0.39 -1.25 0.70 0.00 0.00 175.22 173.02 2djk s PRO 94 N 5.38 2.63 0.34 0.24 0.04 -1.26 0.51 135.00 142.89 2djk s PRO 94 Ca 0.34 -1.43 0.07 0.00 0.04 0.00 0.00 61.00 60.02 2djk s PRO 94 Cb -0.09 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.96 2djk s PRO 94 CO 0.15 -0.14 0.39 0.12 0.04 0.00 0.00 177.00 177.56 2djk s PHE 95 N -2.41 3.01 1.23 0.56 2.19 0.31 -4.92 117.98 117.95 2djk s PHE 95 Ca 0.48 -0.27 -0.18 0.00 0.33 0.00 0.00 56.93 57.29 2djk s PHE 95 Cb -0.05 -1.92 0.30 0.00 -1.31 0.00 0.00 43.02 40.04 2djk s PHE 95 CO 0.28 0.06 1.03 -0.51 1.83 0.00 0.00 175.22 177.92 2djk s ASP 96 N -4.10 0.57 -0.02 6.13 1.11 -1.26 -4.35 116.67 114.75 2djk s ASP 96 Ca 0.43 0.96 0.03 0.00 0.18 0.00 0.00 52.55 54.16 2djk s ASP 96 Cb -0.08 -1.43 -0.05 0.00 1.07 0.00 0.00 42.92 42.43 2djk s ASP 96 CO 0.29 -4.38 0.05 0.00 1.18 0.00 0.00 175.17 172.31 2djk n GLN 97 N -4.98 1.65 -0.54 8.23 6.02 -1.26 -4.56 117.38 121.94 2djk n GLN 97 Ca 0.09 -0.02 0.06 0.00 -0.01 0.00 0.00 57.00 57.13 2djk n GLN 97 Cb 0.58 -1.09 0.14 0.00 1.02 0.00 0.00 30.24 30.90 2djk n GLN 97 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 2djk n GLU 98 N -1.86 1.14 0.00 -1.09 0.28 -1.26 -4.43 120.64 113.42 2djk n GLU 98 Ca -0.03 -2.69 0.00 0.00 -0.16 0.00 0.00 57.16 54.28 2djk n GLU 98 Cb 0.33 -1.27 0.00 0.00 1.43 0.00 0.00 31.44 31.93 2djk n GLU 98 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2djk n LYS 99 N -0.91 0.00 0.00 3.44 3.00 -1.26 -5.08 118.16 117.35 2djk n LYS 99 Ca 0.15 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.52 2djk n LYS 99 Cb 0.73 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.30 2djk n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2djk n GLU 100 N -2.13 0.00 -3.12 1.64 2.13 -1.26 -5.11 120.64 112.79 2djk n GLU 100 Ca 0.00 0.00 -0.45 0.00 0.66 0.00 0.00 57.16 57.37 2djk n GLU 100 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2djk n GLU 100 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2djk s ILE 101 N 0.00 5.13 0.00 6.31 1.01 -1.26 -4.76 121.20 127.64 2djk s ILE 101 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 60.65 58.72 2djk s ILE 101 Cb 0.00 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2djk s ILE 101 CO 0.00 -1.26 0.00 0.35 0.00 0.00 0.00 174.94 174.03 2djk n THR 102 N 4.82 0.00 -0.10 2.92 -2.24 -1.26 -5.00 114.28 113.42 2djk n THR 102 Ca 0.17 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 2djk n THR 102 Cb 0.48 -0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 2djk n THR 102 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2djk n PHE 103 N 0.00 0.26 -0.30 4.78 7.35 -1.26 -3.59 117.46 124.69 2djk n PHE 103 Ca 0.00 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 2djk n PHE 103 Cb 0.00 -0.74 0.13 0.00 0.35 0.00 0.00 39.48 39.22 2djk n PHE 103 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2djk h GLU 104 N -1.00 1.19 -0.11 -4.13 4.39 -1.97 0.81 114.58 113.75 2djk h GLU 104 Ca -0.22 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.21 2djk h GLU 104 Cb 1.11 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2djk h GLU 104 CO -0.13 0.86 -0.52 0.00 -1.16 0.00 0.00 179.01 178.05 2djk h ALA 105 N 1.33 0.91 0.12 3.43 0.00 -1.89 0.79 119.26 123.95 2djk h ALA 105 Ca 0.30 -0.49 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 2djk h ALA 105 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2djk h ALA 105 CO -0.05 0.67 -1.86 0.82 0.00 0.00 0.00 179.25 178.84 2djk h ILE 106 N 0.24 0.71 -0.32 0.00 1.08 -1.54 -2.16 117.51 115.52 2djk h ILE 106 Ca 0.01 -2.34 -0.01 0.00 -0.39 0.00 0.00 64.86 62.12 2djk h ILE 106 Cb 1.00 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 37.25 2djk h ILE 106 CO 0.08 0.82 0.14 0.07 -0.69 0.00 0.00 178.15 178.58 2djk h LYS 107 N -0.07 0.46 -0.00 2.37 2.10 0.56 0.22 116.57 122.21 2djk h LYS 107 Ca -0.40 -0.07 -0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2djk h LYS 107 Cb 1.94 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.19 2djk h LYS 107 CO 0.06 0.45 -0.00 0.00 -2.00 0.00 0.00 179.45 177.96 2djk h ALA 108 N 0.99 0.01 0.06 0.07 0.00 -0.98 -1.20 119.26 118.21 2djk h ALA 108 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2djk h ALA 108 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2djk h ALA 108 CO -0.01 -0.31 -0.22 0.35 0.00 0.00 0.00 179.25 179.06 2djk h PHE 109 N -0.36 -0.64 -1.06 0.00 3.04 -1.27 0.46 116.94 117.11 2djk h PHE 109 Ca 0.00 0.02 0.28 0.00 3.98 0.00 0.00 57.97 62.25 2djk h PHE 109 Cb 0.37 0.27 -0.09 0.00 2.56 0.00 0.00 35.95 39.06 2djk h PHE 109 CO 0.05 -0.25 0.68 -0.39 -2.02 0.00 0.00 178.31 176.38 2djk h VAL 110 N -0.33 0.50 -0.66 1.41 -1.51 -1.03 0.75 116.25 115.38 2djk h VAL 110 Ca -0.00 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 2djk h VAL 110 Cb 0.32 0.10 -0.03 0.00 -2.13 0.00 0.00 31.29 29.56 2djk h VAL 110 CO -0.11 0.07 0.39 -0.78 -1.23 0.00 0.00 177.57 175.90 2djk h ASP 111 N 0.36 0.80 0.96 4.19 1.82 0.30 0.29 116.42 125.14 2djk h ASP 111 Ca 0.61 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 57.18 2djk h ASP 111 Cb 1.59 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 41.40 2djk h ASP 111 CO -0.29 0.64 0.00 -2.24 -1.61 0.00 0.00 179.24 175.73 2djk h ASP 112 N 0.90 0.00 0.00 2.28 2.03 0.50 0.22 116.42 122.36 2djk h ASP 112 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 2djk h ASP 112 Cb -0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2djk h ASP 112 CO -0.04 0.00 -0.05 0.15 -1.03 0.00 0.00 179.24 178.26 2djk h PHE 113 N 0.00 0.00 -0.72 4.15 3.57 0.68 1.56 116.94 126.18 2djk h PHE 113 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2djk h PHE 113 Cb 0.48 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2djk h PHE 113 CO 0.00 0.00 0.33 -0.24 -2.23 0.00 0.00 178.31 176.17 2djk h VAL 114 N -0.73 1.23 -0.94 1.41 3.04 -0.53 -2.39 116.25 117.34 2djk h VAL 114 Ca 0.00 -0.68 0.06 0.00 -1.01 0.00 0.00 66.70 65.07 2djk h VAL 114 Cb 0.05 0.33 -0.06 0.00 -2.01 0.00 0.00 31.29 29.60 2djk h VAL 114 CO 0.00 0.28 0.61 0.00 -1.01 0.00 0.00 177.57 177.46 2djk h ALA 115 N 1.33 1.45 0.00 3.17 0.00 -0.72 -3.46 119.26 121.04 2djk h ALA 115 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2djk h ALA 115 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2djk h ALA 115 CO -0.03 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2djk n GLY 116 N -1.39 1.78 0.09 0.00 0.00 -0.90 -5.05 105.19 99.73 2djk n GLY 116 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2djk n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2djk n LYS 117 N 0.00 0.64 -3.21 1.61 4.81 0.47 -4.99 118.16 117.49 2djk n LYS 117 Ca 0.00 0.09 -0.33 0.00 -0.87 0.00 0.00 58.31 57.20 2djk n LYS 117 Cb 0.00 -1.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.63 2djk n LYS 117 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2djk s ILE 118 N -2.36 4.73 0.13 3.15 1.01 0.23 -4.93 121.20 123.16 2djk s ILE 118 Ca -0.22 0.89 -0.00 0.00 0.00 0.00 0.00 60.65 61.32 2djk s ILE 118 Cb 0.06 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 2djk s ILE 118 CO 0.44 -0.06 0.02 -1.61 0.00 0.00 0.00 174.94 173.73 2djk s GLU 119 N -2.69 0.92 -0.10 2.79 2.02 -1.26 -4.82 118.70 115.55 2djk s GLU 119 Ca 0.49 -1.42 -0.36 0.00 0.02 0.00 0.00 54.97 53.70 2djk s GLU 119 Cb -0.12 0.06 -0.14 0.00 0.10 0.00 0.00 34.13 34.03 2djk s GLU 119 CO 0.19 -0.18 1.74 -2.30 0.02 0.00 0.00 175.26 174.72 2djk n PRO 120 N -0.10 1.72 0.00 0.39 -0.02 -1.26 -4.93 135.00 130.80 2djk n PRO 120 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2djk n PRO 120 Cb 0.63 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2djk n PRO 120 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2djk n SER 121 N 5.34 0.00 -4.40 2.55 3.41 -1.26 -5.04 113.62 114.22 2djk n SER 121 Ca 0.23 0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.64 2djk n SER 121 Cb 0.23 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 2djk n SER 121 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2djk s ILE 122 N -0.02 1.78 0.00 -1.33 -4.36 -1.26 -5.12 121.20 110.89 2djk s ILE 122 Ca 0.00 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 2djk s ILE 122 Cb 0.00 -2.25 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2djk s ILE 122 CO 0.00 -0.44 0.00 0.29 0.24 0.00 0.00 174.94 175.03 2djk n LYS 123 N -0.50 0.00 -1.68 0.37 4.76 -1.26 -4.86 118.16 114.99 2djk n LYS 123 Ca -0.07 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.04 2djk n LYS 123 Cb 0.62 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.81 2djk n LYS 123 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2djk n SER 124 N 0.00 7.08 -3.21 4.39 7.64 -1.26 -4.67 113.62 123.59 2djk n SER 124 Ca 0.00 -3.55 -0.09 0.00 1.01 0.00 0.00 58.87 56.24 2djk n SER 124 Cb 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 2djk n SER 124 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2djk s GLU 125 N -3.03 0.80 0.05 1.43 -1.05 -1.26 -5.16 118.70 110.49 2djk s GLU 125 Ca 0.55 -0.78 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 2djk s GLU 125 Cb 0.41 -0.37 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 2djk s GLU 125 CO -0.31 -1.23 0.05 -0.35 0.95 0.00 0.00 175.26 174.37 2djk n PRO 126 N 3.97 -0.78 -3.76 -4.83 -0.04 -1.26 -5.02 135.00 123.28 2djk n PRO 126 Ca 0.14 -0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 2djk n PRO 126 Cb 0.51 -0.07 -0.10 0.00 -0.04 0.00 0.00 33.50 33.81 2djk n PRO 126 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2djk s ILE 127 N -1.10 3.60 0.00 0.52 -4.36 -1.26 -5.09 121.20 113.51 2djk s ILE 127 Ca 0.03 -3.62 0.00 0.00 -0.26 0.00 0.00 60.65 56.80 2djk s ILE 127 Cb -0.00 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.39 2djk s ILE 127 CO 0.02 -0.97 0.00 -2.65 0.24 0.00 0.00 174.94 171.59 2djk n PRO 128 N 2.70 1.10 -3.54 0.37 -0.02 -1.26 -4.93 135.00 129.42 2djk n PRO 128 Ca 0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2djk n PRO 128 Cb 0.36 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.77 2djk n PRO 128 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2djk s GLU 129 N -0.05 2.71 -0.14 -0.52 0.41 -1.26 -5.05 118.70 114.80 2djk s GLU 129 Ca 0.00 -2.03 0.02 0.00 -0.41 0.00 0.00 54.97 52.54 2djk s GLU 129 Cb 0.00 -3.99 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 2djk s GLU 129 CO 0.00 -1.21 -0.20 0.15 -0.49 0.00 0.00 175.26 173.51 2djk s LYS 130 N 0.89 3.10 0.00 1.61 1.02 -1.26 -5.10 119.74 119.99 2djk s LYS 130 Ca 0.10 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2djk s LYS 130 Cb -0.22 -2.50 0.00 0.00 -0.52 0.00 0.00 37.83 34.59 2djk s LYS 130 CO -0.03 0.01 0.00 0.94 -0.92 0.00 0.00 175.35 175.36 2djk n GLN 131 N 4.02 0.00 -1.43 1.68 7.27 -1.26 -5.14 117.38 122.52 2djk n GLN 131 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.87 2djk n GLN 131 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 2djk n GLN 131 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2djk n GLU 132 N 0.00 -3.79 0.00 3.69 -0.58 -1.26 -5.34 120.64 113.37 2djk n GLU 132 Ca 0.00 2.93 0.00 0.00 -0.42 0.00 0.00 57.16 59.67 2djk n GLU 132 Cb 0.00 -3.64 0.00 0.00 -0.57 0.00 0.00 31.44 27.23 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06