#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djk h PRO 2 N 0.00 0.00 -4.71 1.61 0.11 -2.02 -3.47 132.00 123.52 2djk h PRO 2 Ca 0.00 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.12 2djk h PRO 2 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2djk h PRO 2 CO 0.00 0.00 -1.31 -0.11 -0.21 0.00 0.00 178.00 176.37 2djk n LEU 3 N -3.82 -5.92 -3.13 2.35 0.00 -1.26 -5.05 117.00 100.16 2djk n LEU 3 Ca 0.11 2.28 -0.09 0.00 0.00 0.00 0.00 56.01 58.31 2djk n LEU 3 Cb 0.74 -3.09 -0.03 0.00 0.00 0.00 0.00 43.42 41.04 2djk n LEU 3 CO 0.30 -3.41 -0.01 -0.83 0.00 0.00 0.00 177.39 173.43 2djk s GLY 4 N -0.59 -0.64 0.01 -3.96 0.00 -1.26 -5.14 107.32 95.74 2djk s GLY 4 Ca -0.19 -0.62 -0.20 0.00 0.00 0.00 0.00 44.72 43.71 2djk s GLY 4 CO 0.51 3.23 0.44 -0.45 0.00 0.00 0.00 173.10 176.83 2djk s SER 5 N 1.22 -0.33 0.00 1.64 0.15 -1.26 -5.11 113.70 110.00 2djk s SER 5 Ca 0.23 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.03 2djk s SER 5 Cb -0.05 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 2djk s SER 5 CO -0.07 -0.60 0.52 -0.81 1.20 0.00 0.00 173.24 173.48 2djk n PRO 6 N 0.77 0.00 0.00 5.44 -0.04 -1.26 -5.03 135.00 134.88 2djk n PRO 6 Ca -0.19 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2djk n PRO 6 Cb 0.58 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 2djk n PRO 6 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2djk n LEU 7 N -0.56 0.00 -3.61 1.53 -0.00 -1.26 -5.19 117.00 107.91 2djk n LEU 7 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.86 2djk n LEU 7 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.35 2djk n LEU 7 CO 0.00 0.00 0.35 0.27 -0.00 0.00 0.00 177.39 178.01 2djk s ILE 8 N 2.47 0.01 0.00 1.96 -0.00 -1.26 -4.84 121.20 119.53 2djk s ILE 8 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.60 2djk s ILE 8 Cb 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 42.46 41.55 2djk s ILE 8 CO 0.00 -0.03 0.00 0.61 -0.00 0.00 0.00 174.94 175.52 2djk n GLY 9 N 1.83 1.85 2.72 6.27 0.00 0.19 -4.81 105.19 113.25 2djk n GLY 9 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.01 0.24 -0.05 1.61 2.02 -1.26 -2.51 118.70 118.75 2djk s GLU 10 Ca 0.00 -0.04 0.03 0.00 0.02 0.00 0.00 54.97 54.98 2djk s GLU 10 Cb 0.00 -1.00 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 2djk s GLU 10 CO 0.00 -0.85 -0.12 0.42 0.02 0.00 0.00 175.26 174.73 2djk s ILE 11 N 2.30 3.26 0.00 -1.63 1.01 -0.96 -4.75 121.20 120.44 2djk s ILE 11 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2djk s ILE 11 Cb -0.15 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.02 2djk s ILE 11 CO -0.24 0.58 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2djk n GLY 12 N 2.23 2.63 0.12 6.18 0.00 -1.26 -4.85 105.19 110.24 2djk n GLY 12 Ca -0.17 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2djk n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2djk h PRO 13 N 0.00 0.21 -0.80 1.61 0.11 -2.01 -2.07 132.00 129.05 2djk h PRO 13 Ca 0.00 -0.24 -0.22 0.00 0.11 0.00 0.00 66.00 65.65 2djk h PRO 13 Cb 0.00 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 31.05 2djk h PRO 13 CO 0.00 0.99 0.28 0.39 -0.21 0.00 0.00 178.00 179.44 2djk n GLU 14 N -3.64 3.40 0.00 1.05 1.02 -1.26 -4.32 120.64 116.88 2djk n GLU 14 Ca -0.04 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.33 2djk n GLU 14 Cb 0.83 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.15 0.00 -0.25 2.62 -2.24 -1.21 -4.76 114.28 108.29 2djk n THR 15 Ca 0.38 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.09 2djk n THR 15 Cb 1.31 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.27 2djk n THR 15 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2djk h TYR 16 N 0.00 -1.30 0.00 4.78 -1.99 -1.56 0.49 116.97 117.38 2djk h TYR 16 Ca 0.00 0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 2djk h TYR 16 Cb 0.16 0.66 -0.00 0.00 2.00 0.00 0.00 36.73 39.55 2djk h TYR 16 CO 0.00 -0.41 -0.15 0.77 -0.00 0.00 0.00 178.16 178.37 2djk h SER 17 N -0.17 0.00 0.09 3.88 0.02 -1.85 0.31 113.55 115.83 2djk h SER 17 Ca 0.20 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.91 2djk h SER 17 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 2djk h SER 17 CO -0.75 0.15 -0.95 0.44 -1.14 0.00 0.00 176.83 174.57 2djk h ASP 18 N 0.00 0.78 1.58 3.07 5.19 -0.52 0.38 116.42 126.90 2djk h ASP 18 Ca -0.00 -0.60 -0.07 0.00 -0.62 0.00 0.00 57.03 55.74 2djk h ASP 18 Cb 0.34 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 2djk h ASP 18 CO 0.02 1.40 -0.33 1.88 -3.12 0.00 0.00 179.24 179.09 2djk h TYR 19 N 0.36 0.00 0.00 4.55 0.05 -0.14 0.25 116.97 122.04 2djk h TYR 19 Ca -0.10 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.53 2djk h TYR 19 Cb 1.59 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.31 2djk h TYR 19 CO 0.08 0.33 -1.21 1.98 -1.05 0.00 0.00 178.16 178.30 2djk h MET 20 N 0.00 0.00 0.00 4.88 4.05 -0.90 -3.31 114.93 119.65 2djk h MET 20 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2djk h MET 20 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2djk h MET 20 CO 0.04 0.33 -0.86 0.45 0.23 0.00 0.00 176.91 177.10 2djk n SER 21 N -2.96 0.72 -0.04 1.39 2.88 0.13 -4.18 113.62 111.58 2djk n SER 21 Ca -0.07 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2djk n SER 21 Cb 0.81 0.72 0.30 0.00 -0.75 0.00 0.00 64.21 65.29 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 2.88 1.42 0.00 -1.46 0.00 -1.03 -3.47 119.26 117.60 2djk h ALA 22 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2djk h ALA 22 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2djk h ALA 22 CO 0.00 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.08 2djk n GLY 23 N -1.04 0.84 3.22 0.00 0.00 -1.26 -4.93 105.19 102.02 2djk n GLY 23 Ca 0.03 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 0.87 0.37 -0.61 -4.36 -1.26 -4.64 121.20 109.56 2djk s ILE 24 Ca 0.00 -1.99 -0.28 0.00 -0.26 0.00 0.00 60.65 58.12 2djk s ILE 24 Cb 0.00 -1.85 -0.11 0.00 1.25 0.00 0.00 42.46 41.75 2djk s ILE 24 CO 0.00 -0.73 1.51 -2.16 0.24 0.00 0.00 174.94 173.80 2djk s PRO 25 N -3.82 4.09 -0.07 0.37 0.04 -1.23 -3.79 135.00 130.59 2djk s PRO 25 Ca 0.17 2.60 -0.08 0.00 0.04 0.00 0.00 61.00 63.72 2djk s PRO 25 Cb 0.04 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 2djk s PRO 25 CO -0.01 -0.57 0.21 -1.17 0.04 0.00 0.00 177.00 175.51 2djk s LEU 26 N -1.98 4.40 -0.64 -3.56 0.20 0.48 0.26 118.68 117.85 2djk s LEU 26 Ca 0.54 0.57 -0.00 0.00 0.69 0.00 0.00 54.13 55.92 2djk s LEU 26 Cb -0.47 -2.28 0.16 0.00 -0.43 0.00 0.00 46.19 43.17 2djk s LEU 26 CO 0.63 0.37 0.44 0.00 -0.29 0.00 0.00 176.35 177.49 2djk s ALA 27 N -1.09 3.61 0.12 5.97 0.00 0.13 -0.85 121.76 129.65 2djk s ALA 27 Ca 0.19 -3.39 -0.30 0.00 0.00 0.00 0.00 51.96 48.46 2djk s ALA 27 Cb -0.13 -2.51 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 2djk s ALA 27 CO 0.08 -2.09 1.07 0.71 0.00 0.00 0.00 175.76 175.53 2djk s TYR 28 N -0.41 3.63 -0.54 0.00 2.02 0.23 -0.61 117.35 121.68 2djk s TYR 28 Ca 0.19 1.61 0.04 0.00 -0.37 0.00 0.00 57.07 58.54 2djk s TYR 28 Cb -0.19 -3.23 0.15 0.00 -0.40 0.00 0.00 41.96 38.29 2djk s TYR 28 CO -0.04 -0.45 0.34 0.42 -1.57 0.00 0.00 175.55 174.24 2djk s ILE 29 N 0.16 2.01 0.48 2.71 1.01 0.90 -0.34 121.20 128.13 2djk s ILE 29 Ca 0.51 -3.29 -0.21 0.00 0.00 0.00 0.00 60.65 57.66 2djk s ILE 29 Cb -0.27 -2.37 -0.08 0.00 0.01 0.00 0.00 42.46 39.76 2djk s ILE 29 CO 0.32 -0.95 1.08 -0.36 0.00 0.00 0.00 174.94 175.02 2djk s PHE 30 N -0.40 2.96 -0.27 3.97 0.40 0.79 -0.14 117.98 125.28 2djk s PHE 30 Ca 0.22 1.58 -0.05 0.00 -0.60 0.00 0.00 56.93 58.07 2djk s PHE 30 Cb -0.15 -3.16 0.14 0.00 0.51 0.00 0.00 43.02 40.36 2djk s PHE 30 CO -0.08 -1.04 0.55 0.00 0.70 0.00 0.00 175.22 175.35 2djk s ALA 31 N -1.82 -1.80 -2.08 5.36 0.00 0.65 0.38 121.76 122.45 2djk s ALA 31 Ca 0.66 1.80 0.30 0.00 0.00 0.00 0.00 51.96 54.72 2djk s ALA 31 Cb -0.20 -1.81 1.43 0.00 0.00 0.00 0.00 23.12 22.54 2djk s ALA 31 CO 0.25 -1.08 1.96 0.39 0.00 0.00 0.00 175.76 177.28 2djk n GLU 32 N 5.42 1.15 -3.69 0.00 1.02 -1.26 -2.51 120.64 120.77 2djk n GLU 32 Ca -0.06 -0.40 -0.39 0.00 -0.02 0.00 0.00 57.16 56.29 2djk n GLU 32 Cb 0.50 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.12 4.24 -0.72 2.62 -4.23 -1.26 -4.85 115.64 109.31 2djk s THR 33 Ca 0.39 -0.79 0.25 0.00 -1.18 0.00 0.00 61.69 60.37 2djk s THR 33 Cb 0.21 -3.28 0.15 0.00 1.34 0.00 0.00 72.50 70.92 2djk s THR 33 CO 0.39 -0.08 1.54 0.00 -0.54 0.00 0.00 174.62 175.93 2djk n ALA 34 N 4.92 2.67 -0.05 3.99 0.00 -1.26 -2.23 120.51 128.55 2djk n ALA 34 Ca -0.13 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 2djk n ALA 34 Cb 0.47 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 2djk n ALA 34 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2djk h GLU 35 N 0.00 -0.02 -0.00 0.00 4.11 -1.99 -3.32 114.58 113.36 2djk h GLU 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2djk h GLU 35 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2djk h GLU 35 CO 0.00 0.45 -0.04 -0.85 0.07 0.00 0.00 179.01 178.64 2djk n GLU 36 N -4.72 0.76 -0.35 1.06 0.28 -1.26 -4.03 120.64 112.38 2djk n GLU 36 Ca -0.05 -0.15 0.26 0.00 -0.16 0.00 0.00 57.16 57.06 2djk n GLU 36 Cb 0.23 -1.50 0.51 0.00 1.43 0.00 0.00 31.44 32.12 2djk n GLU 36 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2djk h ARG 37 N 0.37 0.28 0.37 3.44 2.43 -1.54 0.52 114.38 120.25 2djk h ARG 37 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2djk h ARG 37 Cb 0.25 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2djk h ARG 37 CO 0.00 0.19 -0.18 0.87 -1.51 0.00 0.00 179.97 179.34 2djk h LYS 38 N 0.29 -0.47 -0.27 0.20 1.79 -1.82 -2.49 116.57 113.80 2djk h LYS 38 Ca 0.73 0.03 0.05 0.00 -2.18 0.00 0.00 60.65 59.29 2djk h LYS 38 Cb 1.82 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 32.57 2djk h LYS 38 CO -0.53 -0.16 0.19 1.05 -1.08 0.00 0.00 179.45 178.92 2djk h GLU 39 N -0.90 0.13 0.66 3.15 4.11 -1.31 -1.22 114.58 119.19 2djk h GLU 39 Ca -0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.34 2djk h GLU 39 Cb 0.54 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.77 2djk h GLU 39 CO 0.08 0.08 -0.32 1.25 0.07 0.00 0.00 179.01 180.18 2djk h LEU 40 N 0.13 -0.75 -2.46 3.06 7.12 0.03 -2.43 115.31 120.00 2djk h LEU 40 Ca 0.12 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.12 2djk h LEU 40 Cb 0.31 0.20 -0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2djk h LEU 40 CO -0.02 -0.45 -0.00 0.28 -0.13 0.00 0.00 178.44 178.12 2djk h SER 41 N -1.03 0.00 0.44 1.25 0.02 -1.02 -2.48 113.55 110.73 2djk h SER 41 Ca -0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2djk h SER 41 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 2djk h SER 41 CO 0.15 0.00 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.85 2djk h ASP 42 N 0.00 -0.50 -1.15 3.07 3.58 -0.88 0.66 116.42 121.20 2djk h ASP 42 Ca -0.00 0.02 0.32 0.00 0.42 0.00 0.00 57.03 57.79 2djk h ASP 42 Cb 0.17 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.28 2djk h ASP 42 CO 0.00 -0.27 0.79 0.11 -2.88 0.00 0.00 179.24 176.99 2djk h LYS 43 N -0.77 0.16 0.00 0.28 6.56 -1.28 1.98 116.57 123.50 2djk h LYS 43 Ca -0.06 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.46 2djk h LYS 43 Cb 0.45 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 2djk h LYS 43 CO 0.10 0.10 -0.28 -0.07 -2.06 0.00 0.00 179.45 177.24 2djk h LEU 44 N 0.16 0.00 -0.72 2.94 3.38 -1.14 -3.03 115.31 116.90 2djk h LEU 44 Ca 0.60 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.67 2djk h LEU 44 Cb 2.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.69 2djk h LEU 44 CO -0.15 0.28 0.36 0.11 0.09 0.00 0.00 178.44 179.12 2djk h LYS 45 N 0.00 0.58 0.23 1.13 1.57 0.93 -0.63 116.57 120.37 2djk h LYS 45 Ca -0.00 -0.03 -0.34 0.00 -1.87 0.00 0.00 60.65 58.40 2djk h LYS 45 Cb 1.06 -0.13 0.03 0.00 0.08 0.00 0.00 32.23 33.27 2djk h LYS 45 CO 0.04 0.38 -1.60 -1.00 -0.57 0.00 0.00 179.45 176.70 2djk h PRO 46 N 0.60 0.48 -0.20 3.15 0.13 -1.62 -0.20 132.00 134.33 2djk h PRO 46 Ca 0.36 -0.82 0.06 0.00 -0.87 0.00 0.00 66.00 64.73 2djk h PRO 46 Cb 0.39 0.30 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 2djk h PRO 46 CO -0.28 1.39 0.48 0.82 -0.23 0.00 0.00 178.00 180.18 2djk h ILE 47 N 0.13 0.13 0.00 -3.56 2.04 -1.30 0.10 117.51 115.05 2djk h ILE 47 Ca -0.29 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 2djk h ILE 47 Cb 2.14 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2djk h ILE 47 CO 0.23 0.00 -1.51 0.00 0.00 0.00 0.00 178.15 176.88 2djk n ALA 48 N -2.03 2.13 0.32 1.87 0.00 -0.29 -4.22 120.51 118.28 2djk n ALA 48 Ca 0.03 -0.37 0.21 0.00 0.00 0.00 0.00 53.44 53.31 2djk n ALA 48 Cb 0.59 -0.17 1.11 0.00 0.00 0.00 0.00 19.45 20.97 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 0.11 2.05 114.58 120.96 2djk h GLU 49 Ca -0.10 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.15 2djk h GLU 49 Cb 0.88 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2djk h GLU 49 CO 0.01 0.01 -1.51 0.00 -2.18 0.00 0.00 179.01 175.33 2djk n ALA 50 N -2.11 1.86 -2.31 2.92 0.00 -0.81 -4.22 120.51 115.83 2djk n ALA 50 Ca -0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.63 2djk n ALA 50 Cb 0.11 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.90 3.02 0.09 0.00 10.64 0.60 -4.79 117.38 124.04 2djk n GLN 51 Ca -0.12 -4.02 -0.08 0.00 -1.83 0.00 0.00 57.00 50.95 2djk n GLN 51 Cb 0.88 -2.06 -0.01 0.00 -0.86 0.00 0.00 30.24 28.19 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 2.39 0.18 -0.45 2.61 0.11 0.30 -0.86 114.38 118.65 2djk h ARG 52 Ca 0.22 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 60.10 2djk h ARG 52 Cb 1.36 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.50 2djk h ARG 52 CO 0.63 0.95 0.00 0.41 0.10 0.00 0.00 179.97 182.06 2djk n GLY 53 N 0.90 1.94 0.01 0.08 0.00 -1.26 -4.43 105.19 102.43 2djk n GLY 53 Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 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 1.35 0.07 -4.79 1.61 3.14 -1.22 -4.99 118.33 113.49 2djk n VAL 54 Ca 0.19 -0.03 -0.27 0.00 -2.96 0.00 0.00 64.34 61.26 2djk n VAL 54 Cb 0.57 -0.77 -0.15 0.00 -1.06 0.00 0.00 33.84 32.44 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 -2.02 1.83 -0.98 1.55 1.01 -0.33 -3.57 121.20 118.68 2djk s ILE 55 Ca -0.01 -1.22 -0.15 0.00 0.00 0.00 0.00 60.65 59.27 2djk s ILE 55 Cb 0.00 -1.57 0.18 0.00 0.01 0.00 0.00 42.46 41.09 2djk s ILE 55 CO 0.03 0.30 1.09 0.20 0.00 0.00 0.00 174.94 176.56 2djk s ASN 56 N -1.09 6.83 0.24 3.58 0.01 0.14 -4.49 114.94 120.16 2djk s ASN 56 Ca 0.09 -2.58 -0.30 0.00 -0.71 0.00 0.00 52.86 49.36 2djk s ASN 56 Cb -0.09 -2.33 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 2djk s ASN 56 CO 0.01 -0.78 1.27 -0.36 -1.51 0.00 0.00 177.10 175.73 2djk s PHE 57 N 1.33 3.27 -0.26 2.20 0.40 -1.26 -0.69 117.98 122.96 2djk s PHE 57 Ca 0.30 1.36 -0.15 0.00 -0.60 0.00 0.00 56.93 57.85 2djk s PHE 57 Cb -0.06 -3.56 0.08 0.00 0.51 0.00 0.00 43.02 39.98 2djk s PHE 57 CO -0.07 -1.62 0.64 0.20 0.70 0.00 0.00 175.22 175.07 2djk s GLY 58 N -0.07 -0.59 0.29 4.36 0.00 0.22 0.56 107.32 112.09 2djk s GLY 58 Ca 0.53 2.28 -0.10 0.00 0.00 0.00 0.00 44.72 47.43 2djk s GLY 58 CO 0.42 2.32 0.62 -0.51 0.00 0.00 0.00 173.10 175.95 2djk s THR 59 N 1.65 4.88 0.14 0.90 -4.23 -1.04 -0.07 115.64 117.86 2djk s THR 59 Ca -0.10 0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 60.83 2djk s THR 59 Cb -0.06 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 2djk s THR 59 CO -0.19 -0.21 0.28 -0.51 -0.54 0.00 0.00 174.62 173.45 2djk s ILE 60 N -1.98 0.08 -0.23 2.99 2.07 0.80 -2.26 121.20 122.68 2djk s ILE 60 Ca 0.49 -1.26 -0.23 0.00 -1.41 0.00 0.00 60.65 58.24 2djk s ILE 60 Cb -0.11 -1.66 -0.01 0.00 0.13 0.00 0.00 42.46 40.81 2djk s ILE 60 CO 0.24 -0.38 0.73 -0.62 -1.91 0.00 0.00 174.94 172.99 2djk s ASP 61 N -2.93 6.74 0.00 4.50 2.15 -1.26 -0.25 116.67 125.62 2djk s ASP 61 Ca 0.13 0.91 0.17 0.00 0.43 0.00 0.00 52.55 54.19 2djk s ASP 61 Cb 0.03 -2.39 0.86 0.00 -0.30 0.00 0.00 42.92 41.12 2djk s ASP 61 CO -0.04 -0.42 1.57 0.00 -0.17 0.00 0.00 175.17 176.12 2djk n ALA 62 N 5.67 2.57 -0.08 3.66 0.00 -1.05 -0.24 120.51 131.04 2djk n ALA 62 Ca 0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 2djk n ALA 62 Cb 0.48 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.41 1.10 -0.04 0.00 4.81 -1.26 -3.78 118.16 118.58 2djk n LYS 63 Ca 0.13 0.04 -0.04 0.00 -0.87 0.00 0.00 58.31 57.57 2djk n LYS 63 Cb 0.14 -1.39 -0.06 0.00 0.02 0.00 0.00 35.03 33.74 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 -2.77 1.81 0.16 3.14 0.00 -1.24 -4.64 120.51 116.97 2djk n ALA 64 Ca -0.29 -0.49 0.09 0.00 0.00 0.00 0.00 53.44 52.75 2djk n ALA 64 Cb 0.94 0.10 -0.13 0.00 0.00 0.00 0.00 19.45 20.36 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 -2.30 0.00 -0.20 0.00 -0.00 -0.04 -4.62 117.46 110.29 2djk n PHE 65 Ca -0.13 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.52 2djk n PHE 65 Cb 0.74 -0.32 0.35 0.00 -0.00 0.00 0.00 39.48 40.24 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 1.48 -0.44 0.30 7.13 0.00 0.67 0.28 105.19 114.61 2djk n GLY 66 Ca -0.02 0.46 0.15 0.00 0.00 0.00 0.00 46.02 46.61 2djk n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2djk h ALA 67 N 1.10 1.25 0.00 4.61 0.00 -1.86 0.91 119.26 125.27 2djk h ALA 67 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2djk h ALA 67 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2djk h ALA 67 CO -0.41 -0.25 -0.63 0.72 0.00 0.00 0.00 179.25 178.69 2djk n HIS 68 N -2.77 0.17 0.03 0.00 -0.00 0.81 -3.46 115.22 110.00 2djk n HIS 68 Ca -0.02 0.05 -0.13 0.00 -0.00 0.00 0.00 57.72 57.62 2djk n HIS 68 Cb 0.31 -0.36 -0.09 0.00 -0.00 0.00 0.00 29.99 29.84 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 2.82 -0.10 -0.11 -1.41 0.00 0.78 -3.25 119.26 117.99 2djk h ALA 69 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2djk h ALA 69 Cb 0.59 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2djk h ALA 69 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.33 2djk n GLY 70 N 0.12 0.53 0.00 0.00 0.00 -1.24 -4.02 105.19 100.58 2djk n GLY 70 Ca -0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2djk n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2djk n ASN 71 N 0.66 0.00 -0.00 1.61 5.03 -1.22 0.10 115.26 121.44 2djk n ASN 71 Ca 0.17 0.45 0.03 0.00 0.87 0.00 0.00 54.58 56.10 2djk n ASN 71 Cb 0.44 -0.45 -0.04 0.00 -1.02 0.00 0.00 39.78 38.70 2djk n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2djk n LEU 72 N -1.45 0.14 0.00 3.41 -0.00 -1.26 -5.01 117.00 112.83 2djk n LEU 72 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 2djk n LEU 72 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2djk n LEU 72 CO 0.00 0.03 0.00 -3.20 -0.00 0.00 0.00 177.39 174.22 2djk n ASN 73 N -1.44 0.00 -3.96 1.45 4.05 0.12 -4.79 115.26 110.68 2djk n ASN 73 Ca -0.00 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.72 2djk n ASN 73 Cb 0.13 0.00 0.03 0.00 1.23 0.00 0.00 39.78 41.17 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 -2.75 -0.11 1.20 7.99 -1.23 -4.30 117.00 117.80 2djk n LEU 74 Ca 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 56.01 56.00 2djk n LEU 74 Cb 0.00 -0.53 0.02 0.00 -0.11 0.00 0.00 43.42 42.80 2djk n LEU 74 CO 0.00 -2.46 0.39 2.29 -1.51 0.00 0.00 177.39 176.10 2djk n LYS 75 N 2.07 0.86 -3.62 3.23 2.85 -1.26 -3.99 118.16 118.30 2djk n LYS 75 Ca -0.01 -1.05 -0.27 0.00 -1.05 0.00 0.00 58.31 55.93 2djk n LYS 75 Cb 0.61 -1.05 0.02 0.00 -0.65 0.00 0.00 35.03 33.96 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2djk n THR 76 N -0.05 -1.81 0.05 0.58 -2.24 -1.26 -4.64 114.28 104.91 2djk n THR 76 Ca 0.02 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.73 2djk n THR 76 Cb 0.15 -2.75 -0.12 0.00 -2.10 0.00 0.00 70.33 65.51 2djk n THR 76 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2djk h ASP 77 N -1.74 0.00 -5.17 3.42 3.04 -1.97 -3.48 116.42 110.52 2djk h ASP 77 Ca -0.54 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.19 2djk h ASP 77 Cb 1.35 0.00 -0.12 0.00 -1.04 0.00 0.00 39.33 39.52 2djk h ASP 77 CO 0.62 0.98 -0.19 -0.75 -2.04 0.00 0.00 179.24 177.86 2djk s LYS 78 N -2.70 1.18 0.31 4.15 2.20 -1.26 -5.12 119.74 118.49 2djk s LYS 78 Ca 0.00 -1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 54.46 2djk s LYS 78 Cb 0.10 0.43 0.02 0.00 -1.51 0.00 0.00 37.83 36.86 2djk s LYS 78 CO 0.82 -0.45 0.65 -0.06 -0.36 0.00 0.00 175.35 175.95 2djk s PHE 79 N -3.91 0.16 1.05 4.03 0.40 -1.26 -4.53 117.98 113.93 2djk s PHE 79 Ca 0.12 -0.63 -0.11 0.00 -0.60 0.00 0.00 56.93 55.70 2djk s PHE 79 Cb 0.02 0.53 0.22 0.00 0.51 0.00 0.00 43.02 44.30 2djk s PHE 79 CO -0.04 -1.25 1.09 -1.25 0.70 0.00 0.00 175.22 174.47 2djk s PRO 80 N -3.44 -0.03 0.30 0.24 0.04 -1.26 -4.74 135.00 126.10 2djk s PRO 80 Ca 0.17 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.47 2djk s PRO 80 Cb -0.04 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 32.81 2djk s PRO 80 CO 0.10 -3.24 0.01 0.00 0.04 0.00 0.00 177.00 173.91 2djk s ALA 81 N -2.53 2.30 -0.17 8.56 0.00 0.16 -4.81 121.76 125.27 2djk s ALA 81 Ca 0.68 -1.97 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 2djk s ALA 81 Cb -0.24 0.46 0.08 0.00 0.00 0.00 0.00 23.12 23.42 2djk s ALA 81 CO 0.62 -0.22 0.18 0.12 0.00 0.00 0.00 175.76 176.46 2djk s PHE 82 N -3.20 -0.15 -0.18 0.00 2.19 -1.26 -0.15 117.98 115.23 2djk s PHE 82 Ca 0.33 0.18 -0.04 0.00 0.33 0.00 0.00 56.93 57.72 2djk s PHE 82 Cb 0.07 -0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 41.34 2djk s PHE 82 CO 0.13 -0.51 -0.03 0.00 1.83 0.00 0.00 175.22 176.64 2djk s ALA 83 N 2.28 2.97 -0.72 11.12 0.00 0.54 0.19 121.76 138.13 2djk s ALA 83 Ca 0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.02 2djk s ALA 83 Cb -0.15 -1.65 0.19 0.00 0.00 0.00 0.00 23.12 21.51 2djk s ALA 83 CO -0.10 -0.02 0.58 0.42 0.00 0.00 0.00 175.76 176.64 2djk s ILE 84 N 0.78 4.27 0.12 0.00 1.01 -0.99 0.76 121.20 127.15 2djk s ILE 84 Ca -0.01 -3.02 -0.24 0.00 0.00 0.00 0.00 60.65 57.37 2djk s ILE 84 Cb -0.14 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 2djk s ILE 84 CO 0.02 -0.95 0.75 -1.58 0.00 0.00 0.00 174.94 173.17 2djk s GLN 85 N -0.26 4.50 -0.34 2.79 0.74 -0.03 0.35 119.66 127.42 2djk s GLN 85 Ca 0.19 1.08 -0.13 0.00 0.05 0.00 0.00 55.36 56.55 2djk s GLN 85 Cb -0.16 -3.29 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 2djk s GLN 85 CO -0.06 0.50 0.24 -1.21 -0.55 0.00 0.00 175.29 174.21 2djk s GLU 86 N -0.84 3.48 0.00 1.67 2.02 -1.03 0.18 118.70 124.18 2djk s GLU 86 Ca 0.36 -0.65 0.21 0.00 0.02 0.00 0.00 54.97 54.90 2djk s GLU 86 Cb -0.22 -3.80 1.17 0.00 0.10 0.00 0.00 34.13 31.38 2djk s GLU 86 CO 0.24 -0.45 1.77 0.28 0.02 0.00 0.00 175.26 177.12 2djk n VAL 87 N 5.10 0.03 -0.09 2.63 0.31 -1.25 0.64 118.33 125.70 2djk n VAL 87 Ca -0.13 -0.05 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 2djk n VAL 87 Cb 0.50 -0.21 -0.12 0.00 -0.91 0.00 0.00 33.84 33.10 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2djk n ALA 88 N -0.64 1.24 0.04 3.52 0.00 -1.26 -4.67 120.51 118.74 2djk n ALA 88 Ca 0.16 -0.94 0.01 0.00 0.00 0.00 0.00 53.44 52.67 2djk n ALA 88 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 2djk n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2djk n LYS 89 N -3.48 2.58 -2.32 0.00 4.76 -1.23 -5.02 118.16 113.45 2djk n LYS 89 Ca -0.43 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.00 2djk n LYS 89 Cb 0.98 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 33.30 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2djk n ASN 90 N -1.37 -1.88 -3.22 4.39 2.85 0.21 -5.05 115.26 111.18 2djk n ASN 90 Ca -0.00 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.35 2djk n ASN 90 Cb 0.05 -0.47 0.06 0.00 1.24 0.00 0.00 39.78 40.66 2djk n ASN 90 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 2djk n GLN 91 N -0.51 0.20 -3.33 1.20 -0.06 -1.14 -4.84 117.38 108.90 2djk n GLN 91 Ca 0.00 -1.31 -0.13 0.00 -2.00 0.00 0.00 57.00 53.56 2djk n GLN 91 Cb 0.47 -0.35 -0.07 0.00 -4.06 0.00 0.00 30.24 26.24 2djk n GLN 91 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 2djk s LYS 92 N -3.76 0.59 -0.97 3.69 3.01 -1.26 -2.46 119.74 118.59 2djk s LYS 92 Ca 0.33 -0.53 -0.01 0.00 -1.01 0.00 0.00 55.97 54.74 2djk s LYS 92 Cb -0.02 -0.53 0.29 0.00 -1.01 0.00 0.00 37.83 36.56 2djk s LYS 92 CO 0.22 -1.15 1.30 1.19 0.51 0.00 0.00 175.35 177.41 2djk n PHE 93 N 4.57 2.60 -2.02 3.18 3.72 0.16 -4.17 117.46 125.50 2djk n PHE 93 Ca 0.08 -2.98 -0.29 0.00 -0.05 0.00 0.00 57.45 54.21 2djk n PHE 93 Cb 0.48 -1.07 0.18 0.00 -0.94 0.00 0.00 39.48 38.12 2djk n PHE 93 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2djk s PRO 94 N -2.72 0.67 0.33 -1.08 0.04 -1.26 -2.34 135.00 128.63 2djk s PRO 94 Ca 0.33 -0.55 0.09 0.00 0.04 0.00 0.00 61.00 60.91 2djk s PRO 94 Cb 0.07 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2djk s PRO 94 CO 0.08 -2.36 0.09 0.12 0.04 0.00 0.00 177.00 174.97 2djk s PHE 95 N -3.82 2.66 1.30 0.56 2.19 0.50 -4.83 117.98 116.53 2djk s PHE 95 Ca 0.74 -0.38 -0.18 0.00 0.33 0.00 0.00 56.93 57.44 2djk s PHE 95 Cb -0.03 -1.55 0.33 0.00 -1.31 0.00 0.00 43.02 40.45 2djk s PHE 95 CO 0.52 0.41 0.99 -0.51 1.83 0.00 0.00 175.22 178.46 2djk s ASP 96 N -3.79 -0.04 -0.01 6.13 1.11 -1.26 -4.47 116.67 114.34 2djk s ASP 96 Ca 0.36 1.09 0.03 0.00 0.18 0.00 0.00 52.55 54.21 2djk s ASP 96 Cb -0.02 -1.63 -0.04 0.00 1.07 0.00 0.00 42.92 42.30 2djk s ASP 96 CO 0.21 -4.77 0.04 0.00 1.18 0.00 0.00 175.17 171.84 2djk n GLN 97 N -5.26 1.23 -0.54 8.23 3.00 -1.26 -4.62 117.38 118.16 2djk n GLN 97 Ca 0.08 -0.02 0.06 0.00 -0.01 0.00 0.00 57.00 57.12 2djk n GLN 97 Cb 0.58 -1.07 0.12 0.00 0.00 0.00 0.00 30.24 29.87 2djk n GLN 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2djk n GLU 98 N -1.76 0.98 0.00 -1.09 0.28 -1.26 -4.34 120.64 113.46 2djk n GLU 98 Ca -0.02 -2.48 0.00 0.00 -0.16 0.00 0.00 57.16 54.50 2djk n GLU 98 Cb 0.24 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 31.96 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 -0.80 0.00 0.00 3.44 3.00 -1.26 -5.08 118.16 117.45 2djk n LYS 99 Ca 0.13 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2djk n LYS 99 Cb 0.75 -0.27 0.00 0.00 0.00 0.00 0.00 35.03 35.50 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 -1.53 0.00 -3.28 1.64 2.13 -1.26 -5.10 120.64 113.23 2djk n GLU 100 Ca 0.00 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.36 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 5.56 0.00 6.31 1.01 -1.26 -4.79 121.20 128.03 2djk s ILE 101 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 60.65 58.15 2djk s ILE 101 Cb 0.00 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.94 2djk s ILE 101 CO 0.00 -1.11 0.00 0.35 0.00 0.00 0.00 174.94 174.18 2djk n THR 102 N 3.98 0.00 -0.02 2.92 -2.24 -1.26 -5.01 114.28 112.66 2djk n THR 102 Ca 0.17 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2djk n THR 102 Cb 0.46 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 2djk n THR 102 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2djk h PHE 103 N 0.45 -0.01 -1.01 4.78 3.57 -1.93 -2.90 116.94 119.88 2djk h PHE 103 Ca 0.00 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.74 2djk h PHE 103 Cb 0.00 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.63 2djk h PHE 103 CO 0.00 -0.00 0.61 1.05 -2.23 0.00 0.00 178.31 177.74 2djk h GLU 104 N -0.37 0.55 -0.13 1.11 -0.00 -1.98 0.62 114.58 114.39 2djk h GLU 104 Ca -0.00 -0.03 -0.16 0.00 -0.00 0.00 0.00 59.36 59.17 2djk h GLU 104 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.62 2djk h GLU 104 CO 0.00 0.36 -0.60 0.00 -0.00 0.00 0.00 179.01 178.77 2djk h ALA 105 N 1.70 0.72 0.08 1.06 0.00 -1.90 -2.12 119.26 118.80 2djk h ALA 105 Ca 0.63 -0.54 -0.28 0.00 0.00 0.00 0.00 54.91 54.72 2djk h ALA 105 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2djk h ALA 105 CO -0.43 0.71 -1.46 0.82 0.00 0.00 0.00 179.25 178.89 2djk h ILE 106 N 0.32 0.92 -0.79 0.00 1.08 -0.90 -2.16 117.51 115.98 2djk h ILE 106 Ca -0.01 -2.31 0.10 0.00 -0.39 0.00 0.00 64.86 62.25 2djk h ILE 106 Cb 1.14 2.53 -0.07 0.00 -3.07 0.00 0.00 36.82 37.35 2djk h ILE 106 CO 0.11 0.63 0.43 0.07 -0.69 0.00 0.00 178.15 178.69 2djk h LYS 107 N -0.45 0.69 -0.02 2.37 5.09 0.07 0.25 116.57 124.56 2djk h LYS 107 Ca -0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 60.65 60.34 2djk h LYS 107 Cb 1.66 -0.15 0.00 0.00 0.10 0.00 0.00 32.23 33.84 2djk h LYS 107 CO -0.02 0.45 -0.08 0.00 -2.09 0.00 0.00 179.45 177.71 2djk h ALA 108 N 1.46 0.04 -0.01 0.07 0.00 -1.52 -1.75 119.26 117.54 2djk h ALA 108 Ca 0.39 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2djk h ALA 108 Cb 0.40 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2djk h ALA 108 CO -0.27 -0.08 -0.29 0.35 0.00 0.00 0.00 179.25 178.97 2djk h PHE 109 N -0.48 -0.84 -0.91 0.00 3.04 -0.73 0.55 116.94 117.55 2djk h PHE 109 Ca -0.00 0.03 0.19 0.00 3.98 0.00 0.00 57.97 62.17 2djk h PHE 109 Cb 0.71 0.37 -0.11 0.00 2.56 0.00 0.00 35.95 39.48 2djk h PHE 109 CO 0.14 -0.30 0.47 -0.39 -2.02 0.00 0.00 178.31 176.21 2djk h VAL 110 N -0.35 0.60 -0.84 1.41 -1.51 -0.63 1.03 116.25 115.97 2djk h VAL 110 Ca 0.01 -0.19 0.11 0.00 -1.23 0.00 0.00 66.70 65.39 2djk h VAL 110 Cb 0.38 -0.00 -0.06 0.00 -2.13 0.00 0.00 31.29 29.47 2djk h VAL 110 CO -0.20 0.10 0.54 -0.78 -1.23 0.00 0.00 177.57 176.01 2djk h ASP 111 N 0.56 0.68 -0.03 4.19 1.82 -0.08 0.73 116.42 124.28 2djk h ASP 111 Ca 0.54 0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 57.10 2djk h ASP 111 Cb 0.93 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 2djk h ASP 111 CO -0.44 0.39 -0.30 -0.78 -1.61 0.00 0.00 179.24 176.49 2djk h ASP 112 N 0.74 0.50 0.04 2.28 3.58 0.61 -0.48 116.42 123.69 2djk h ASP 112 Ca 0.39 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.66 2djk h ASP 112 Cb 0.52 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2djk h ASP 112 CO -0.16 0.78 -0.02 0.15 -2.88 0.00 0.00 179.24 177.11 2djk h PHE 113 N 0.42 -0.05 -0.63 0.28 3.57 0.22 3.26 116.94 124.01 2djk h PHE 113 Ca 0.05 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.66 2djk h PHE 113 Cb 0.74 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 2djk h PHE 113 CO 0.03 -0.03 0.19 0.28 -2.23 0.00 0.00 178.31 176.54 2djk h VAL 114 N -0.11 0.68 -0.71 1.41 2.07 0.05 -0.78 116.25 118.86 2djk h VAL 114 Ca -0.01 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.48 2djk h VAL 114 Cb 0.04 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2djk h VAL 114 CO 0.01 0.06 0.46 0.00 0.02 0.00 0.00 177.57 178.13 2djk h ALA 115 N 1.47 1.80 0.00 1.67 0.00 -1.23 -3.45 119.26 119.52 2djk h ALA 115 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2djk h ALA 115 Cb 0.47 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2djk h ALA 115 CO -0.37 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2djk n GLY 116 N -1.47 1.88 0.26 0.00 0.00 -0.30 -5.06 105.19 100.51 2djk n GLY 116 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.16 0.46 -1.90 1.61 0.00 1.00 -4.99 118.16 114.18 2djk n LYS 117 Ca 0.00 0.19 -0.36 0.00 0.00 0.00 0.00 58.31 58.14 2djk n LYS 117 Cb 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 35.03 33.78 2djk n LYS 117 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2djk s ILE 118 N -2.64 2.55 0.11 3.15 1.01 0.33 -4.90 121.20 120.82 2djk s ILE 118 Ca -0.27 0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2djk s ILE 118 Cb 0.07 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2djk s ILE 118 CO 0.38 -0.09 -0.09 -1.61 0.00 0.00 0.00 174.94 173.53 2djk s GLU 119 N -3.44 0.90 -0.40 2.79 2.02 -1.26 -4.76 118.70 114.55 2djk s GLU 119 Ca 0.77 -1.27 -0.41 0.00 0.02 0.00 0.00 54.97 54.08 2djk s GLU 119 Cb -0.31 -0.50 -0.16 0.00 0.10 0.00 0.00 34.13 33.26 2djk s GLU 119 CO 0.36 0.06 1.95 -2.30 0.02 0.00 0.00 175.26 175.35 2djk n PRO 120 N 0.25 0.62 -3.23 0.39 -0.02 -1.26 -4.90 135.00 126.84 2djk n PRO 120 Ca -0.14 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 2djk n PRO 120 Cb 0.59 -1.93 -0.08 0.00 -0.02 0.00 0.00 33.50 32.07 2djk n PRO 120 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2djk s SER 121 N 5.16 6.39 0.07 2.55 0.01 -1.26 -4.98 113.70 121.64 2djk s SER 121 Ca 1.09 0.29 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2djk s SER 121 Cb -1.21 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 62.74 2djk s SER 121 CO 0.64 -0.38 0.00 2.30 0.41 0.00 0.00 173.24 176.21 2djk n ILE 122 N 5.29 0.00 -3.64 1.44 -5.35 -1.26 -4.94 119.36 110.89 2djk n ILE 122 Ca -0.04 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.34 2djk n ILE 122 Cb 0.49 -0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.30 2djk n ILE 122 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2djk s LYS 123 N -0.43 0.73 -0.01 6.28 1.02 -1.26 -5.05 119.74 121.02 2djk s LYS 123 Ca 0.00 1.10 -0.01 0.00 0.02 0.00 0.00 55.97 57.08 2djk s LYS 123 Cb 0.00 0.23 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 2djk s LYS 123 CO 0.00 -0.13 0.03 0.45 -0.92 0.00 0.00 175.35 174.78 2djk n SER 124 N 3.68 -4.98 -2.73 2.83 2.88 -1.26 -5.06 113.62 108.97 2djk n SER 124 Ca -0.18 0.94 -0.07 0.00 -1.33 0.00 0.00 58.87 58.23 2djk n SER 124 Cb 0.57 -3.25 0.05 0.00 -0.75 0.00 0.00 64.21 60.83 2djk n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2djk n GLU 125 N 0.96 0.62 -0.51 -1.46 -0.58 -1.26 -5.07 120.64 113.34 2djk n GLU 125 Ca -0.05 -1.55 -0.20 0.00 -0.42 0.00 0.00 57.16 54.94 2djk n GLU 125 Cb 0.08 -1.20 0.16 0.00 -0.57 0.00 0.00 31.44 29.91 2djk n GLU 125 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2djk n PRO 126 N 1.79 -2.48 -3.42 3.49 -0.02 -1.26 -4.45 135.00 128.66 2djk n PRO 126 Ca 0.09 -0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 60.40 2djk n PRO 126 Cb 0.64 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 2djk n PRO 126 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2djk s ILE 127 N -2.09 5.43 0.00 4.25 -4.36 -1.26 -4.68 121.20 118.48 2djk s ILE 127 Ca 0.41 -3.17 0.00 0.00 -0.26 0.00 0.00 60.65 57.63 2djk s ILE 127 Cb -0.07 -4.32 0.00 0.00 1.25 0.00 0.00 42.46 39.32 2djk s ILE 127 CO 0.38 -1.10 0.00 -0.81 0.24 0.00 0.00 174.94 173.66 2djk n PRO 128 N 3.10 -0.59 -3.45 0.37 -0.04 -1.26 -5.02 135.00 128.11 2djk n PRO 128 Ca 0.19 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.38 2djk n PRO 128 Cb 0.41 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.78 2djk n PRO 128 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2djk n GLU 129 N -1.10 0.83 0.00 0.54 2.13 -1.26 -5.08 120.64 116.69 2djk n GLU 129 Ca 0.00 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.25 2djk n GLU 129 Cb 0.00 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 29.97 2djk n GLU 129 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2djk n LYS 130 N 2.17 0.00 -0.17 5.31 3.00 -1.26 -5.18 118.16 122.03 2djk n LYS 130 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 2djk n LYS 130 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 2djk n LYS 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2djk n GLN 131 N -0.00 0.34 -3.68 1.64 1.13 -1.26 -5.08 117.38 110.47 2djk n GLN 131 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 2djk n GLN 131 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 2djk n GLN 131 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2djk s GLU 132 N -2.39 1.31 0.00 -1.09 2.12 -1.26 -5.21 118.70 112.17 2djk s GLU 132 Ca 0.00 -0.66 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2djk s GLU 132 Cb 0.00 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.88 2djk s GLU 132 CO 0.00 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.54