#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 -0.51 0.00 1.61 -0.02 -1.26 -5.01 135.00 129.81 2djk n PRO 2 Ca 0.00 -0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2djk n PRO 2 Cb 0.00 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2djk n PRO 2 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2djk n LEU 3 N -1.05 0.00 0.00 2.45 7.94 -1.26 -5.15 117.00 119.94 2djk n LEU 3 Ca 0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 2djk n LEU 3 Cb 0.55 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.40 2djk n LEU 3 CO 0.51 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.91 2djk n GLY 4 N 3.08 -0.16 3.26 -3.96 0.00 -1.26 -4.83 105.19 101.32 2djk n GLY 4 Ca 0.00 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 2djk n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djk s SER 5 N -4.00 6.16 0.83 1.61 1.04 -1.26 -5.07 113.70 113.00 2djk s SER 5 Ca 0.00 -2.42 -0.11 0.00 0.48 0.00 0.00 55.95 53.90 2djk s SER 5 Cb 0.00 -2.10 0.09 0.00 0.10 0.00 0.00 66.02 64.11 2djk s SER 5 CO 0.00 -0.60 1.10 -2.16 0.98 0.00 0.00 173.24 172.55 2djk s PRO 6 N 0.59 1.81 -0.04 4.02 0.04 -1.26 -5.01 135.00 135.15 2djk s PRO 6 Ca 0.13 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 2djk s PRO 6 Cb -0.19 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 2djk s PRO 6 CO -0.04 -1.95 -0.05 1.28 0.04 0.00 0.00 177.00 176.28 2djk n LEU 7 N -3.72 0.51 -4.79 -3.56 4.32 -1.26 -5.05 117.00 103.45 2djk n LEU 7 Ca 0.09 0.04 -0.33 0.00 -0.02 0.00 0.00 56.01 55.80 2djk n LEU 7 Cb 0.53 -0.12 0.03 0.00 -1.62 0.00 0.00 43.42 42.24 2djk n LEU 7 CO 0.53 0.13 0.73 0.27 -1.22 0.00 0.00 177.39 177.83 2djk s ILE 8 N -2.08 3.57 0.00 -0.08 -0.00 -1.26 -4.71 121.20 116.64 2djk s ILE 8 Ca -0.06 0.74 0.00 0.00 -0.00 0.00 0.00 60.65 61.33 2djk s ILE 8 Cb 0.02 -3.27 0.00 0.00 -0.00 0.00 0.00 42.46 39.21 2djk s ILE 8 CO 0.07 -0.45 0.00 0.61 -0.00 0.00 0.00 174.94 175.18 2djk n GLY 9 N -0.80 -0.19 3.16 6.27 0.00 -0.78 -4.97 105.19 107.89 2djk n GLY 9 Ca 0.09 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.05 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 2.00 0.08 1.61 2.02 -1.26 0.42 118.70 123.58 2djk s GLU 10 Ca 0.00 -0.68 -0.20 0.00 0.02 0.00 0.00 54.97 54.11 2djk s GLU 10 Cb 0.00 -1.71 -0.07 0.00 0.10 0.00 0.00 34.13 32.45 2djk s GLU 10 CO 0.00 0.26 0.59 0.42 0.02 0.00 0.00 175.26 176.56 2djk s ILE 11 N 0.03 4.70 0.24 -1.63 1.01 -0.94 -4.73 121.20 119.88 2djk s ILE 11 Ca -0.05 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.88 2djk s ILE 11 Cb -0.12 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2djk s ILE 11 CO 0.03 0.55 0.20 -0.83 0.00 0.00 0.00 174.94 174.90 2djk s GLY 12 N -1.11 1.61 0.66 6.18 0.00 -1.26 -4.96 107.32 108.43 2djk s GLY 12 Ca 0.30 -1.73 0.43 0.00 0.00 0.00 0.00 44.72 43.71 2djk s GLY 12 CO 0.20 -1.35 2.34 -0.56 0.00 0.00 0.00 173.10 173.73 2djk h PRO 13 N 2.45 0.00 -0.47 2.90 0.13 -2.03 -0.66 132.00 134.33 2djk h PRO 13 Ca -0.32 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.59 2djk h PRO 13 Cb 1.24 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2djk h PRO 13 CO 0.47 0.00 0.07 0.39 -0.23 0.00 0.00 178.00 178.70 2djk n GLU 14 N -3.15 2.09 0.00 0.86 1.02 -1.26 -4.52 120.64 115.68 2djk n GLU 14 Ca -0.03 -3.12 0.00 0.00 -0.02 0.00 0.00 57.16 53.99 2djk n GLU 14 Cb 0.09 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 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 -1.03 0.00 -0.11 2.62 -2.24 -0.29 -4.77 114.28 108.46 2djk n THR 15 Ca 0.37 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.06 2djk n THR 15 Cb 1.15 -0.23 -0.06 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.12 -0.92 4.78 0.05 -1.70 0.28 116.97 118.34 2djk h TYR 16 Ca 0.00 0.06 0.22 0.00 0.05 0.00 0.00 58.73 59.05 2djk h TYR 16 Cb 0.44 0.53 -0.07 0.00 1.01 0.00 0.00 36.73 38.64 2djk h TYR 16 CO 0.00 -0.31 0.61 1.03 -1.05 0.00 0.00 178.16 178.44 2djk h SER 17 N -0.23 0.36 -0.24 3.88 0.87 -1.88 0.16 113.55 116.47 2djk h SER 17 Ca 0.05 0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2djk h SER 17 Cb 0.37 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2djk h SER 17 CO -0.41 0.13 -0.51 -0.78 -0.53 0.00 0.00 176.83 174.74 2djk h ASP 18 N 0.35 0.91 0.80 6.23 3.58 -1.14 0.41 116.42 127.55 2djk h ASP 18 Ca 0.48 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2djk h ASP 18 Cb 1.28 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2djk h ASP 18 CO -0.17 1.25 0.00 -1.22 -2.88 0.00 0.00 179.24 176.22 2djk n TYR 19 N -4.01 0.00 -0.10 0.28 4.01 0.71 -1.59 117.16 116.47 2djk n TYR 19 Ca -0.04 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2djk n TYR 19 Cb 0.60 -0.46 -0.16 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.46 0.69 0.14 -0.72 1.56 0.30 -4.25 117.12 113.39 2djk n MET 20 Ca 0.07 -0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.62 2djk n MET 20 Cb 0.28 -1.52 0.19 0.00 2.15 0.00 0.00 33.22 34.32 2djk n MET 20 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2djk h SER 21 N 0.00 0.00 0.19 6.12 4.64 -0.05 -3.26 113.55 121.19 2djk h SER 21 Ca -0.55 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2djk h SER 21 Cb 2.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.32 2djk h SER 21 CO 0.02 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 2djk n ALA 22 N -2.00 1.21 -1.15 5.18 0.00 -0.62 -4.82 120.51 118.31 2djk n ALA 22 Ca 0.03 0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2djk n ALA 22 Cb 0.50 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2djk n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2djk n GLY 23 N -0.96 0.68 3.38 0.00 0.00 -1.23 -4.98 105.19 102.07 2djk n GLY 23 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.84 2.00 0.33 -0.61 -4.36 -1.26 -4.43 121.20 111.04 2djk s ILE 24 Ca 0.00 -2.21 -0.29 0.00 -0.26 0.00 0.00 60.65 57.90 2djk s ILE 24 Cb 0.00 -2.08 -0.11 0.00 1.25 0.00 0.00 42.46 41.52 2djk s ILE 24 CO 0.00 -0.46 1.47 -2.16 0.24 0.00 0.00 174.94 174.03 2djk s PRO 25 N -3.39 4.18 -0.04 0.37 0.04 -1.25 -3.76 135.00 131.14 2djk s PRO 25 Ca 0.23 2.47 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 2djk s PRO 25 Cb -0.03 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 2djk s PRO 25 CO 0.09 -0.48 0.42 -1.17 0.04 0.00 0.00 177.00 175.90 2djk s LEU 26 N -1.42 4.40 -0.75 -3.56 0.20 0.39 -1.36 118.68 116.58 2djk s LEU 26 Ca 0.55 0.89 -0.08 0.00 0.69 0.00 0.00 54.13 56.18 2djk s LEU 26 Cb -0.45 -2.60 0.20 0.00 -0.43 0.00 0.00 46.19 42.91 2djk s LEU 26 CO 0.55 0.22 0.64 0.00 -0.29 0.00 0.00 176.35 177.46 2djk s ALA 27 N -0.48 3.89 0.14 5.97 0.00 0.05 -0.42 121.76 130.92 2djk s ALA 27 Ca 0.24 -3.35 -0.29 0.00 0.00 0.00 0.00 51.96 48.56 2djk s ALA 27 Cb -0.16 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.77 2djk s ALA 27 CO 0.12 -2.20 0.91 0.71 0.00 0.00 0.00 175.76 175.29 2djk s TYR 28 N -0.06 3.86 -0.43 0.00 1.51 0.16 -0.84 117.35 121.55 2djk s TYR 28 Ca 0.18 1.76 0.02 0.00 -1.01 0.00 0.00 57.07 58.03 2djk s TYR 28 Cb -0.14 -2.97 0.14 0.00 -0.11 0.00 0.00 41.96 38.88 2djk s TYR 28 CO -0.07 0.32 0.24 0.42 -1.11 0.00 0.00 175.55 175.35 2djk s ILE 29 N -0.44 1.19 0.51 2.71 1.09 -0.28 0.35 121.20 126.32 2djk s ILE 29 Ca 0.43 -2.45 -0.20 0.00 -1.10 0.00 0.00 60.65 57.32 2djk s ILE 29 Cb -0.24 -1.83 -0.07 0.00 -1.06 0.00 0.00 42.46 39.26 2djk s ILE 29 CO 0.29 -0.92 1.12 -0.36 -0.10 0.00 0.00 174.94 174.96 2djk s PHE 30 N 0.43 2.79 -0.30 3.97 0.40 0.29 -0.45 117.98 125.11 2djk s PHE 30 Ca 0.18 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 57.97 2djk s PHE 30 Cb -0.23 -3.26 0.14 0.00 0.51 0.00 0.00 43.02 40.18 2djk s PHE 30 CO -0.01 -1.39 0.67 0.00 0.70 0.00 0.00 175.22 175.19 2djk s ALA 31 N -1.76 -2.12 -1.28 5.36 0.00 0.14 0.32 121.76 122.42 2djk s ALA 31 Ca 0.70 2.28 0.24 0.00 0.00 0.00 0.00 51.96 55.18 2djk s ALA 31 Cb -0.23 -1.84 1.14 0.00 0.00 0.00 0.00 23.12 22.19 2djk s ALA 31 CO 0.27 -0.97 1.78 0.39 0.00 0.00 0.00 175.76 177.23 2djk n GLU 32 N 5.42 0.22 -2.50 0.00 1.02 -1.26 -2.49 120.64 121.04 2djk n GLU 32 Ca -0.11 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 2djk n GLU 32 Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.72 4.38 -0.70 2.62 -4.23 -1.26 -4.84 115.64 108.89 2djk s THR 33 Ca 0.19 1.69 0.08 0.00 -1.18 0.00 0.00 61.69 62.46 2djk s THR 33 Cb 0.16 -4.09 0.22 0.00 1.34 0.00 0.00 72.50 70.13 2djk s THR 33 CO 0.39 -0.05 1.17 0.00 -0.54 0.00 0.00 174.62 175.58 2djk n ALA 34 N 5.63 2.15 0.00 3.99 0.00 -1.26 -4.15 120.51 126.87 2djk n ALA 34 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2djk n ALA 34 Cb 0.46 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2djk n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2djk n GLU 35 N 0.26 0.00 -0.44 0.00 0.00 -1.26 -4.73 120.64 114.47 2djk n GLU 35 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.31 2djk n GLU 35 Cb 0.37 -0.50 0.25 0.00 0.00 0.00 0.00 31.44 31.57 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2djk n GLU 36 N -3.02 2.95 -0.18 5.31 0.28 -1.26 -4.42 120.64 120.30 2djk n GLU 36 Ca 0.00 -2.01 0.30 0.00 -0.16 0.00 0.00 57.16 55.28 2djk n GLU 36 Cb 0.48 -1.72 0.72 0.00 1.43 0.00 0.00 31.44 32.34 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 2.87 0.00 -0.29 3.44 2.43 -1.85 0.33 114.38 121.31 2djk h ARG 37 Ca 0.00 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 2djk h ARG 37 Cb 1.11 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2djk h ARG 37 CO 0.17 0.00 -0.31 0.87 -1.51 0.00 0.00 179.97 179.19 2djk h LYS 38 N 0.00 0.72 -0.10 0.20 1.57 -1.94 -2.22 116.57 114.80 2djk h LYS 38 Ca 0.44 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2djk h LYS 38 Cb 1.93 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.25 2djk h LYS 38 CO -0.00 1.01 0.06 0.93 -0.57 0.00 0.00 179.45 180.87 2djk h GLU 39 N 0.47 0.14 -0.33 3.15 4.39 -0.70 0.15 114.58 121.85 2djk h GLU 39 Ca 0.04 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2djk h GLU 39 Cb 0.89 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.49 2djk h GLU 39 CO 0.08 0.17 0.16 1.25 -1.16 0.00 0.00 179.01 179.50 2djk h LEU 40 N 0.08 0.24 -1.88 1.33 7.12 -1.48 -1.18 115.31 119.53 2djk h LEU 40 Ca 0.04 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.06 2djk h LEU 40 Cb 0.07 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.16 2djk h LEU 40 CO -0.01 0.18 -0.02 0.28 -0.13 0.00 0.00 178.44 178.74 2djk h SER 41 N 0.34 0.00 0.59 1.25 0.02 -1.22 -2.45 113.55 112.09 2djk h SER 41 Ca 0.14 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2djk h SER 41 Cb 0.05 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.59 2djk h SER 41 CO -0.09 0.02 -0.28 -0.78 -1.14 0.00 0.00 176.83 174.56 2djk h ASP 42 N 0.00 -0.67 -1.10 3.07 3.58 0.28 0.54 116.42 122.12 2djk h ASP 42 Ca -0.00 0.02 0.30 0.00 0.42 0.00 0.00 57.03 57.78 2djk h ASP 42 Cb 0.38 0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.53 2djk h ASP 42 CO 0.00 -0.30 0.74 0.11 -2.88 0.00 0.00 179.24 176.92 2djk h LYS 43 N -1.15 0.21 0.00 0.28 6.56 -1.33 1.86 116.57 122.99 2djk h LYS 43 Ca -0.08 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.40 2djk h LYS 43 Cb 0.61 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.21 2djk h LYS 43 CO 0.13 0.14 -0.45 -0.07 -2.06 0.00 0.00 179.45 177.14 2djk h LEU 44 N 0.21 0.00 -0.69 2.94 3.38 -1.13 -3.00 115.31 117.03 2djk h LEU 44 Ca 0.58 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.68 2djk h LEU 44 Cb 1.85 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.50 2djk h LEU 44 CO -0.18 0.45 0.22 0.11 0.09 0.00 0.00 178.44 179.14 2djk h LYS 45 N 0.00 0.34 0.19 1.13 1.79 0.83 -0.77 116.57 120.07 2djk h LYS 45 Ca -0.00 -0.02 -0.33 0.00 -2.18 0.00 0.00 60.65 58.11 2djk h LYS 45 Cb 1.11 -0.08 0.01 0.00 -1.58 0.00 0.00 32.23 31.70 2djk h LYS 45 CO 0.06 0.23 -1.59 -1.00 -1.08 0.00 0.00 179.45 176.07 2djk h PRO 46 N 0.36 0.39 0.00 3.15 0.13 -1.61 -0.88 132.00 133.54 2djk h PRO 46 Ca 0.37 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2djk h PRO 46 Cb 0.57 0.25 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2djk h PRO 46 CO -0.41 1.30 0.27 0.82 -0.23 0.00 0.00 178.00 179.74 2djk h ILE 47 N 0.11 0.00 0.00 -3.56 2.04 -1.24 -0.04 117.51 114.82 2djk h ILE 47 Ca -0.28 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2djk h ILE 47 Cb 2.09 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2djk h ILE 47 CO 0.20 0.00 -1.30 0.00 0.00 0.00 0.00 178.15 177.05 2djk n ALA 48 N -1.75 2.03 0.30 1.87 0.00 -0.36 -4.45 120.51 118.14 2djk n ALA 48 Ca -0.02 -0.24 0.19 0.00 0.00 0.00 0.00 53.44 53.37 2djk n ALA 48 Cb 0.30 -0.01 0.88 0.00 0.00 0.00 0.00 19.45 20.62 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 4.81 0.46 1.93 114.58 121.78 2djk h GLU 49 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2djk h GLU 49 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2djk h GLU 49 CO 0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 179.01 177.60 2djk n ALA 50 N -2.02 3.99 -2.23 2.92 0.00 -0.78 -4.08 120.51 118.30 2djk n ALA 50 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.03 2djk n ALA 50 Cb 0.17 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.49 0.25 0.06 0.00 0.00 0.45 -4.86 117.38 111.79 2djk n GLN 51 Ca 0.05 -1.99 0.04 0.00 0.00 0.00 0.00 57.00 55.09 2djk n GLN 51 Cb 0.33 -0.36 0.43 0.00 0.00 0.00 0.00 30.24 30.64 2djk n GLN 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 2djk h ARG 52 N 0.76 0.41 -0.50 2.61 0.11 0.27 0.48 114.38 118.54 2djk h ARG 52 Ca -0.15 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.89 2djk h ARG 52 Cb 1.65 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.65 2djk h ARG 52 CO 0.06 0.35 0.00 0.41 0.10 0.00 0.00 179.97 180.89 2djk n GLY 53 N -1.28 2.41 0.00 0.08 0.00 -1.26 -4.48 105.19 100.66 2djk n GLY 53 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.09 0.00 -4.41 1.61 3.14 -0.84 -5.06 118.33 113.87 2djk n VAL 54 Ca 0.18 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.36 2djk n VAL 54 Cb 0.52 -0.83 -0.14 0.00 -1.06 0.00 0.00 33.84 32.33 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 -1.88 0.85 -0.74 1.55 1.01 0.16 -3.77 121.20 118.39 2djk s ILE 55 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 2djk s ILE 55 Cb 0.00 -0.73 0.14 0.00 0.01 0.00 0.00 42.46 41.88 2djk s ILE 55 CO 0.00 0.17 0.84 0.20 0.00 0.00 0.00 174.94 176.14 2djk s ASN 56 N -0.44 6.45 0.21 3.58 0.01 -0.46 -4.45 114.94 119.83 2djk s ASN 56 Ca 0.03 -1.91 -0.30 0.00 -0.71 0.00 0.00 52.86 49.97 2djk s ASN 56 Cb -0.05 -2.31 -0.09 0.00 0.41 0.00 0.00 41.25 39.22 2djk s ASN 56 CO -0.00 -0.97 1.32 -0.36 -1.51 0.00 0.00 177.10 175.58 2djk s PHE 57 N 2.06 3.23 -0.25 2.20 0.40 -1.26 -0.77 117.98 123.60 2djk s PHE 57 Ca 0.19 1.22 -0.04 0.00 -0.60 0.00 0.00 56.93 57.70 2djk s PHE 57 Cb -0.15 -3.62 0.13 0.00 0.51 0.00 0.00 43.02 39.89 2djk s PHE 57 CO -0.02 -1.92 0.45 0.20 0.70 0.00 0.00 175.22 174.63 2djk s GLY 58 N 0.29 -0.54 0.42 4.36 0.00 -0.02 -1.87 107.32 109.96 2djk s GLY 58 Ca 0.56 1.36 -0.20 0.00 0.00 0.00 0.00 44.72 46.44 2djk s GLY 58 CO 0.39 2.77 0.92 -0.51 0.00 0.00 0.00 173.10 176.67 2djk s THR 59 N 2.65 4.44 0.14 0.90 -4.23 0.17 -1.12 115.64 118.58 2djk s THR 59 Ca 0.09 1.40 -0.09 0.00 -1.18 0.00 0.00 61.69 61.91 2djk s THR 59 Cb -0.14 -3.61 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2djk s THR 59 CO -0.16 -0.31 0.25 -0.51 -0.54 0.00 0.00 174.62 173.35 2djk s ILE 60 N -2.16 0.09 -0.24 2.99 2.07 0.41 -2.21 121.20 122.14 2djk s ILE 60 Ca 0.61 -1.30 -0.25 0.00 -1.41 0.00 0.00 60.65 58.29 2djk s ILE 60 Cb -0.09 -1.65 -0.00 0.00 0.13 0.00 0.00 42.46 40.85 2djk s ILE 60 CO 0.14 -0.42 0.87 -0.62 -1.91 0.00 0.00 174.94 173.00 2djk s ASP 61 N -2.93 6.88 0.00 4.50 2.15 -1.26 0.27 116.67 126.28 2djk s ASP 61 Ca 0.13 1.08 0.15 0.00 0.43 0.00 0.00 52.55 54.34 2djk s ASP 61 Cb 0.04 -2.46 0.69 0.00 -0.30 0.00 0.00 42.92 40.89 2djk s ASP 61 CO -0.04 -0.56 1.48 0.00 -0.17 0.00 0.00 175.17 175.88 2djk n ALA 62 N 6.09 2.53 -0.07 3.66 0.00 -1.04 -1.13 120.51 130.56 2djk n ALA 62 Ca 0.07 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 2djk n ALA 62 Cb 0.47 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.13 1.49 -0.03 0.00 4.81 -1.26 -3.91 118.16 119.12 2djk n LYS 63 Ca 0.12 0.01 -0.04 0.00 -0.87 0.00 0.00 58.31 57.54 2djk n LYS 63 Cb 0.19 -1.36 -0.05 0.00 0.02 0.00 0.00 35.03 33.84 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 -2.61 1.84 0.72 3.14 0.00 -1.24 -4.64 120.51 117.72 2djk n ALA 64 Ca -0.24 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 52.90 2djk n ALA 64 Cb 0.93 0.17 -0.13 0.00 0.00 0.00 0.00 19.45 20.42 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 -2.34 0.00 -0.31 0.00 -0.00 -0.28 -4.59 117.46 109.94 2djk n PHE 65 Ca -0.11 0.00 0.27 0.00 -0.00 0.00 0.00 57.45 57.61 2djk n PHE 65 Cb 0.69 -0.11 0.46 0.00 -0.00 0.00 0.00 39.48 40.51 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 1.44 -0.57 0.36 7.13 0.00 -0.49 0.24 105.19 113.30 2djk n GLY 66 Ca 0.02 0.52 0.18 0.00 0.00 0.00 0.00 46.02 46.74 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 1.12 1.72 0.00 4.61 0.00 -1.88 0.96 119.26 125.79 2djk h ALA 67 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2djk h ALA 67 Cb 1.89 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2djk h ALA 67 CO -0.34 -0.46 -0.54 0.72 0.00 0.00 0.00 179.25 178.63 2djk n HIS 68 N -3.36 0.17 -0.03 0.00 -0.00 0.66 -3.22 115.22 109.46 2djk n HIS 68 Ca 0.02 0.05 -0.16 0.00 -0.00 0.00 0.00 57.72 57.64 2djk n HIS 68 Cb 0.47 -0.39 -0.09 0.00 -0.00 0.00 0.00 29.99 29.98 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 2.84 0.17 -0.11 -1.41 0.00 0.90 -3.33 119.26 118.32 2djk h ALA 69 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2djk h ALA 69 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2djk h ALA 69 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2djk n GLY 70 N 0.74 0.86 0.00 0.00 0.00 -1.21 -3.89 105.19 101.69 2djk n GLY 70 Ca -0.08 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 1.15 0.00 -0.00 1.61 2.04 -1.20 -0.64 115.26 118.22 2djk n ASN 71 Ca 0.13 0.42 0.03 0.00 -0.44 0.00 0.00 54.58 54.72 2djk n ASN 71 Cb 0.51 -0.44 -0.04 0.00 -2.53 0.00 0.00 39.78 37.28 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 -1.44 0.11 0.00 -4.53 -0.00 -1.26 -5.02 117.00 104.86 2djk n LEU 72 Ca 0.01 -0.21 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 2djk n LEU 72 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2djk n LEU 72 CO 0.04 0.03 0.00 0.59 -0.00 0.00 0.00 177.39 178.05 2djk n ASN 73 N -1.46 -0.01 -3.68 1.45 5.03 0.18 -4.79 115.26 111.97 2djk n ASN 73 Ca -0.00 0.01 -0.11 0.00 0.87 0.00 0.00 54.58 55.35 2djk n ASN 73 Cb 0.13 0.09 0.08 0.00 -1.02 0.00 0.00 39.78 39.05 2djk n ASN 73 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2djk n LEU 74 N -1.66 -1.71 0.00 3.41 4.77 -1.23 -4.83 117.00 115.75 2djk n LEU 74 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2djk n LEU 74 Cb 0.00 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2djk n LEU 74 CO 0.00 -2.66 0.33 2.29 -1.33 0.00 0.00 177.39 176.02 2djk n LYS 75 N 0.14 0.87 -3.26 3.23 2.85 -1.26 -4.08 118.16 116.66 2djk n LYS 75 Ca 0.03 -0.87 -0.23 0.00 -1.05 0.00 0.00 58.31 56.19 2djk n LYS 75 Cb 0.21 -0.90 0.05 0.00 -0.65 0.00 0.00 35.03 33.75 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 -0.21 -2.26 0.00 0.58 -2.24 -1.26 -4.90 114.28 103.99 2djk n THR 76 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2djk n THR 76 Cb 0.18 -3.53 -0.14 0.00 -2.10 0.00 0.00 70.33 64.74 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 -1.81 0.29 -4.86 3.42 2.03 -1.96 -3.49 116.42 110.05 2djk h ASP 77 Ca -0.54 -0.62 -0.20 0.00 -0.73 0.00 0.00 57.03 54.94 2djk h ASP 77 Cb 1.37 -0.09 -0.15 0.00 -0.83 0.00 0.00 39.33 39.62 2djk h ASP 77 CO 0.57 1.56 -0.68 -0.75 -1.03 0.00 0.00 179.24 178.91 2djk s LYS 78 N -2.58 0.82 0.27 4.15 2.36 -1.26 -5.17 119.74 118.33 2djk s LYS 78 Ca -0.16 -1.34 -0.21 0.00 -2.55 0.00 0.00 55.97 51.72 2djk s LYS 78 Cb 0.07 -0.05 0.02 0.00 -1.05 0.00 0.00 37.83 36.83 2djk s LYS 78 CO 0.80 -0.09 0.69 -0.06 1.55 0.00 0.00 175.35 178.24 2djk s PHE 79 N -3.76 -0.19 0.96 4.03 0.40 -1.26 -4.49 117.98 113.67 2djk s PHE 79 Ca 0.13 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.11 2djk s PHE 79 Cb 0.06 0.66 0.17 0.00 0.51 0.00 0.00 43.02 44.43 2djk s PHE 79 CO -0.04 -1.19 1.12 -1.25 0.70 0.00 0.00 175.22 174.56 2djk s PRO 80 N -3.91 0.65 0.20 0.24 0.04 -1.26 -4.78 135.00 126.18 2djk s PRO 80 Ca 0.11 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.61 2djk s PRO 80 Cb -0.05 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2djk s PRO 80 CO 0.05 -2.84 -0.11 0.00 0.04 0.00 0.00 177.00 174.15 2djk s ALA 81 N -2.62 1.90 -0.08 8.56 0.00 0.15 -4.91 121.76 124.76 2djk s ALA 81 Ca 0.67 -1.66 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 2djk s ALA 81 Cb -0.23 0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2djk s ALA 81 CO 0.59 -0.02 -0.05 0.12 0.00 0.00 0.00 175.76 176.40 2djk s PHE 82 N -3.11 1.07 -0.24 0.00 2.19 -1.26 0.10 117.98 116.74 2djk s PHE 82 Ca 0.23 -0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.08 2djk s PHE 82 Cb 0.01 -0.96 0.05 0.00 -1.31 0.00 0.00 43.02 40.82 2djk s PHE 82 CO 0.06 -0.36 -0.11 0.00 1.83 0.00 0.00 175.22 176.64 2djk s ALA 83 N 1.48 2.38 -0.62 11.12 0.00 0.15 0.17 121.76 136.44 2djk s ALA 83 Ca -0.01 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 2djk s ALA 83 Cb -0.13 -1.48 0.16 0.00 0.00 0.00 0.00 23.12 21.67 2djk s ALA 83 CO -0.04 -1.04 0.57 0.42 0.00 0.00 0.00 175.76 175.66 2djk s ILE 84 N 1.20 5.22 0.21 0.00 1.01 -0.97 0.37 121.20 128.25 2djk s ILE 84 Ca -0.06 -1.84 -0.13 0.00 0.00 0.00 0.00 60.65 58.62 2djk s ILE 84 Cb -0.18 -4.32 -0.07 0.00 0.01 0.00 0.00 42.46 37.89 2djk s ILE 84 CO -0.07 -0.91 0.59 0.00 0.00 0.00 0.00 174.94 174.55 2djk s GLN 85 N 1.12 3.92 -0.31 2.79 -2.07 0.44 0.10 119.66 125.66 2djk s GLN 85 Ca 0.08 0.45 -0.08 0.00 -1.82 0.00 0.00 55.36 53.98 2djk s GLN 85 Cb -0.24 -2.73 0.01 0.00 -1.09 0.00 0.00 33.01 28.96 2djk s GLN 85 CO -0.01 0.36 0.12 -1.21 -1.32 0.00 0.00 175.29 173.23 2djk s GLU 86 N -2.47 3.10 0.00 9.60 2.02 -0.63 0.15 118.70 130.46 2djk s GLU 86 Ca 0.45 -0.86 0.29 0.00 0.02 0.00 0.00 54.97 54.86 2djk s GLU 86 Cb -0.13 -3.48 1.72 0.00 0.10 0.00 0.00 34.13 32.34 2djk s GLU 86 CO 0.20 -0.48 2.10 0.28 0.02 0.00 0.00 175.26 177.38 2djk n VAL 87 N 4.91 0.00 -0.09 2.63 0.31 -1.25 0.11 118.33 124.96 2djk n VAL 87 Ca -0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 2djk n VAL 87 Cb 0.48 -0.46 -0.12 0.00 -0.91 0.00 0.00 33.84 32.83 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 -0.96 1.19 0.07 3.52 0.00 -1.26 -4.64 120.51 118.43 2djk n ALA 88 Ca 0.22 -0.91 0.01 0.00 0.00 0.00 0.00 53.44 52.75 2djk n ALA 88 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 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 -3.60 4.95 -2.31 0.00 4.81 -1.22 -5.04 118.16 115.75 2djk n LYS 89 Ca -0.42 -0.13 -0.06 0.00 -0.87 0.00 0.00 58.31 56.83 2djk n LYS 89 Cb 0.96 -0.67 0.03 0.00 0.02 0.00 0.00 35.03 35.37 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2djk n ASN 90 N -0.80 -4.33 -4.78 3.14 4.05 0.30 -5.03 115.26 107.82 2djk n ASN 90 Ca 0.00 -0.27 -0.27 0.00 0.45 0.00 0.00 54.58 54.50 2djk n ASN 90 Cb 0.03 -2.80 -0.06 0.00 1.23 0.00 0.00 39.78 38.18 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 2djk s GLN 91 N -3.51 2.22 -0.35 1.20 2.00 -1.09 -4.86 119.66 115.26 2djk s GLN 91 Ca 0.17 -2.00 -0.00 0.00 -2.00 0.00 0.00 55.36 51.53 2djk s GLN 91 Cb -0.02 -1.92 0.13 0.00 0.80 0.00 0.00 33.01 32.00 2djk s GLN 91 CO 0.35 -0.29 0.19 0.15 -0.50 0.00 0.00 175.29 175.20 2djk s LYS 92 N -3.99 0.64 -0.97 1.67 3.01 -1.26 -1.61 119.74 117.24 2djk s LYS 92 Ca 0.32 -1.30 -0.01 0.00 -1.01 0.00 0.00 55.97 53.97 2djk s LYS 92 Cb 0.02 -1.53 0.30 0.00 -1.01 0.00 0.00 37.83 35.61 2djk s LYS 92 CO 0.18 -1.15 1.35 1.19 0.51 0.00 0.00 175.35 177.44 2djk n PHE 93 N 4.22 2.63 -1.45 3.18 3.72 0.29 -4.65 117.46 125.40 2djk n PHE 93 Ca 0.07 -2.94 -0.17 0.00 -0.05 0.00 0.00 57.45 54.37 2djk n PHE 93 Cb 0.38 -1.08 0.12 0.00 -0.94 0.00 0.00 39.48 37.96 2djk n PHE 93 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2djk n PRO 94 N 1.02 -0.90 -3.77 -1.08 -0.04 -1.26 -2.29 135.00 126.69 2djk n PRO 94 Ca 0.29 -1.15 -0.22 0.00 -0.04 0.00 0.00 63.50 62.37 2djk n PRO 94 Cb 0.34 -0.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.96 2djk n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2djk s PHE 95 N -2.60 2.62 0.89 0.54 5.36 0.45 -4.81 117.98 120.43 2djk s PHE 95 Ca 0.43 -0.54 -0.12 0.00 -0.96 0.00 0.00 56.93 55.73 2djk s PHE 95 Cb -0.01 -2.09 0.13 0.00 -0.34 0.00 0.00 43.02 40.70 2djk s PHE 95 CO 0.30 -0.04 1.16 -0.51 -1.46 0.00 0.00 175.22 174.67 2djk s ASP 96 N -4.06 3.70 -0.19 6.13 1.11 -1.26 -4.63 116.67 117.47 2djk s ASP 96 Ca 0.45 0.88 0.13 0.00 0.18 0.00 0.00 52.55 54.19 2djk s ASP 96 Cb -0.01 -1.41 0.39 0.00 1.07 0.00 0.00 42.92 42.96 2djk s ASP 96 CO 0.26 -2.42 1.21 0.00 1.18 0.00 0.00 175.17 175.39 2djk n GLN 97 N -3.67 1.52 -0.71 8.23 6.02 -1.26 -4.61 117.38 122.89 2djk n GLN 97 Ca 0.07 -3.11 -0.04 0.00 -0.01 0.00 0.00 57.00 53.92 2djk n GLN 97 Cb 0.60 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.23 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 -1.20 0.00 -0.00 -1.09 0.28 -1.26 -4.88 120.64 112.49 2djk n GLU 98 Ca 0.18 -0.50 0.05 0.00 -0.16 0.00 0.00 57.16 56.73 2djk n GLU 98 Cb 0.68 0.34 0.04 0.00 1.43 0.00 0.00 31.44 33.93 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 0.00 0.34 -1.59 3.44 4.81 -1.26 -5.06 118.16 118.84 2djk n LYS 99 Ca -0.14 -1.08 -0.00 0.00 -0.87 0.00 0.00 58.31 56.22 2djk n LYS 99 Cb 0.52 -1.18 -0.00 0.00 0.02 0.00 0.00 35.03 34.38 2djk n LYS 99 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2djk n GLU 100 N 0.54 -0.38 -2.55 1.64 2.13 -1.26 -4.92 120.64 115.84 2djk n GLU 100 Ca 0.06 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.21 2djk n GLU 100 Cb 0.24 -1.35 -0.03 0.00 0.27 0.00 0.00 31.44 30.57 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 -0.07 3.77 0.00 6.31 1.01 -1.26 -4.82 121.20 126.14 2djk s ILE 101 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.77 2djk s ILE 101 Cb 0.00 -4.95 0.00 0.00 0.01 0.00 0.00 42.46 37.52 2djk s ILE 101 CO 0.07 -1.88 0.00 0.35 0.00 0.00 0.00 174.94 173.48 2djk n THR 102 N 6.50 0.00 -0.02 2.92 -2.24 -1.26 -5.04 114.28 115.14 2djk n THR 102 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 2djk n THR 102 Cb 0.49 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.22 -0.35 4.78 7.35 -1.26 -3.61 117.46 124.59 2djk n PHE 103 Ca 0.00 0.10 0.25 0.00 -0.76 0.00 0.00 57.45 57.04 2djk n PHE 103 Cb 0.00 -0.35 0.50 0.00 0.35 0.00 0.00 39.48 39.98 2djk n PHE 103 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2djk h GLU 104 N -0.31 0.30 -0.08 -4.13 4.22 -1.97 0.97 114.58 113.59 2djk h GLU 104 Ca 0.00 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.32 2djk h GLU 104 Cb 0.19 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2djk h GLU 104 CO 0.00 0.20 -0.43 0.00 -2.18 0.00 0.00 179.01 176.60 2djk h ALA 105 N 1.78 1.12 0.02 2.92 0.00 -1.88 0.27 119.26 123.50 2djk h ALA 105 Ca 0.73 -0.42 -0.28 0.00 0.00 0.00 0.00 54.91 54.93 2djk h ALA 105 Cb 1.77 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 2djk h ALA 105 CO -0.54 0.59 -1.56 -0.89 0.00 0.00 0.00 179.25 176.86 2djk n ILE 106 N -4.01 1.58 -0.29 0.00 2.08 0.17 -1.97 119.36 116.91 2djk n ILE 106 Ca -0.02 -0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.11 2djk n ILE 106 Cb 0.49 -1.96 0.13 0.00 -0.75 0.00 0.00 39.64 37.55 2djk n ILE 106 CO 0.00 0.00 0.00 0.07 0.56 0.00 0.00 176.55 177.18 2djk h LYS 107 N -0.80 0.89 0.05 0.38 2.10 0.59 0.35 116.57 120.12 2djk h LYS 107 Ca -0.41 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.19 2djk h LYS 107 Cb 1.48 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2djk h LYS 107 CO -0.18 0.59 -0.02 0.00 -2.00 0.00 0.00 179.45 177.83 2djk h ALA 108 N 1.39 -0.07 0.03 0.07 0.00 -1.09 -1.48 119.26 118.12 2djk h ALA 108 Ca 0.36 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2djk h ALA 108 Cb 0.17 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2djk h ALA 108 CO -0.17 -0.28 -0.37 0.35 0.00 0.00 0.00 179.25 178.79 2djk h PHE 109 N -0.59 -1.07 -0.90 0.00 3.57 -0.90 0.31 116.94 117.35 2djk h PHE 109 Ca -0.01 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.72 2djk h PHE 109 Cb 0.52 0.46 -0.11 0.00 2.79 0.00 0.00 35.95 39.61 2djk h PHE 109 CO 0.10 -0.40 0.46 -0.39 -2.23 0.00 0.00 178.31 175.85 2djk h VAL 110 N -0.48 0.61 -0.92 1.41 -1.51 -0.41 1.20 116.25 116.13 2djk h VAL 110 Ca 0.00 -0.19 0.15 0.00 -1.23 0.00 0.00 66.70 65.43 2djk h VAL 110 Cb 0.50 0.01 -0.08 0.00 -2.13 0.00 0.00 31.29 29.59 2djk h VAL 110 CO -0.23 0.10 0.59 -0.78 -1.23 0.00 0.00 177.57 176.03 2djk h ASP 111 N 0.55 0.69 -0.10 4.19 1.82 0.06 1.06 116.42 124.70 2djk h ASP 111 Ca 0.54 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 57.13 2djk h ASP 111 Cb 0.91 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.82 2djk h ASP 111 CO -0.44 0.33 -0.21 -0.78 -1.61 0.00 0.00 179.24 176.53 2djk h ASP 112 N 0.72 0.51 0.07 2.28 3.58 0.50 -0.18 116.42 123.91 2djk h ASP 112 Ca 0.47 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 2djk h ASP 112 Cb 0.75 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2djk h ASP 112 CO -0.23 0.72 -0.04 0.15 -2.88 0.00 0.00 179.24 176.96 2djk h PHE 113 N 0.46 -0.09 -0.60 0.28 3.57 0.27 3.41 116.94 124.23 2djk h PHE 113 Ca 0.07 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.68 2djk h PHE 113 Cb 0.62 0.03 -0.09 0.00 2.79 0.00 0.00 35.95 39.31 2djk h PHE 113 CO 0.02 -0.06 0.12 0.28 -2.23 0.00 0.00 178.31 176.45 2djk h VAL 114 N -0.20 0.63 -0.79 1.41 2.07 0.08 -0.43 116.25 119.02 2djk h VAL 114 Ca -0.01 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2djk h VAL 114 Cb 0.08 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2djk h VAL 114 CO 0.02 0.05 0.52 0.00 0.02 0.00 0.00 177.57 178.17 2djk h ALA 115 N 1.48 1.74 0.00 1.67 0.00 -1.17 -3.45 119.26 119.53 2djk h ALA 115 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2djk h ALA 115 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2djk h ALA 115 CO -0.41 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.36 2djk n GLY 116 N -1.44 1.90 0.26 0.00 0.00 -0.17 -5.05 105.19 100.68 2djk n GLY 116 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.20 0.49 -1.73 1.61 4.81 1.05 -4.99 118.16 119.20 2djk n LYS 117 Ca 0.00 0.21 -0.34 0.00 -0.87 0.00 0.00 58.31 57.31 2djk n LYS 117 Cb 0.00 -1.34 0.06 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.50 2.72 0.05 3.15 1.01 0.34 -4.89 121.20 121.07 2djk s ILE 118 Ca -0.32 0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2djk s ILE 118 Cb 0.11 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 2djk s ILE 118 CO 0.41 -0.16 -0.06 -1.61 0.00 0.00 0.00 174.94 173.51 2djk s GLU 119 N -3.77 0.54 0.25 2.79 2.02 -1.26 -4.79 118.70 114.49 2djk s GLU 119 Ca 0.73 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 54.56 2djk s GLU 119 Cb -0.27 -0.14 -0.09 0.00 0.10 0.00 0.00 34.13 33.73 2djk s GLU 119 CO 0.40 0.00 1.22 -1.25 0.02 0.00 0.00 175.26 175.65 2djk s PRO 120 N -2.16 4.48 0.00 0.39 0.04 -1.26 -4.97 135.00 131.51 2djk s PRO 120 Ca -0.06 1.98 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2djk s PRO 120 Cb -0.06 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2djk s PRO 120 CO -0.02 -0.06 0.00 0.43 0.04 0.00 0.00 177.00 177.39 2djk n SER 121 N 1.70 0.00 -4.30 6.66 7.64 -1.26 -5.06 113.62 119.00 2djk n SER 121 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2djk n SER 121 Cb 0.44 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.78 2djk n SER 121 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2djk n ILE 122 N 0.00 0.00 -3.08 0.44 -5.35 -1.26 -5.00 119.36 105.11 2djk n ILE 122 Ca 0.00 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2djk n ILE 122 Cb 0.00 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.33 2djk n ILE 122 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2djk n LYS 123 N -1.64 -1.69 -3.11 6.28 4.76 -1.26 -4.98 118.16 116.52 2djk n LYS 123 Ca 0.02 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.23 2djk n LYS 123 Cb 0.60 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.75 2djk n LYS 123 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2djk n SER 124 N 1.40 2.73 -3.23 4.39 3.41 -1.26 -4.96 113.62 116.11 2djk n SER 124 Ca 0.00 -3.33 -0.16 0.00 -0.26 0.00 0.00 58.87 55.12 2djk n SER 124 Cb 0.00 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.29 2djk n SER 124 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2djk s GLU 125 N -2.78 0.82 0.47 4.33 0.41 -1.26 -5.15 118.70 115.55 2djk s GLU 125 Ca 0.43 -1.24 -0.17 0.00 -0.41 0.00 0.00 54.97 53.59 2djk s GLU 125 Cb 0.28 -0.73 -0.09 0.00 -1.78 0.00 0.00 34.13 31.81 2djk s GLU 125 CO -0.10 -1.28 0.95 -1.25 -0.49 0.00 0.00 175.26 173.08 2djk s PRO 126 N 0.93 4.02 -0.46 0.39 0.04 -1.26 -5.05 135.00 133.60 2djk s PRO 126 Ca 0.24 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.28 2djk s PRO 126 Cb -0.06 -2.18 0.18 0.00 0.04 0.00 0.00 34.50 32.48 2djk s PRO 126 CO -0.08 -0.16 0.53 1.51 0.04 0.00 0.00 177.00 178.84 2djk n ILE 127 N -1.24 -0.64 -1.33 0.56 3.06 -1.26 -5.15 119.36 113.37 2djk n ILE 127 Ca 0.06 -2.32 -0.29 0.00 -2.50 0.00 0.00 62.75 57.71 2djk n ILE 127 Cb 0.54 -0.40 0.17 0.00 0.54 0.00 0.00 39.64 40.49 2djk n ILE 127 CO 0.00 0.00 0.00 -2.16 -2.50 0.00 0.00 176.55 171.89 2djk s PRO 128 N 0.40 0.43 -0.30 9.51 0.04 -1.26 -5.09 135.00 138.73 2djk s PRO 128 Ca 0.32 0.29 -0.18 0.00 0.04 0.00 0.00 61.00 61.47 2djk s PRO 128 Cb 0.03 -1.76 0.21 0.00 0.04 0.00 0.00 34.50 33.02 2djk s PRO 128 CO -0.13 -2.68 1.30 -1.83 0.04 0.00 0.00 177.00 173.70 2djk s GLU 129 N -5.19 0.02 -0.12 4.56 -1.05 -1.26 -5.04 118.70 110.62 2djk s GLU 129 Ca 0.66 0.03 0.16 0.00 -0.15 0.00 0.00 54.97 55.67 2djk s GLU 129 Cb -0.15 0.01 0.32 0.00 -0.44 0.00 0.00 34.13 33.87 2djk s GLU 129 CO 0.56 -0.00 1.21 1.63 0.95 0.00 0.00 175.26 179.60 2djk n LYS 130 N 3.72 1.98 -3.63 -4.83 5.02 -1.26 -5.04 118.16 114.11 2djk n LYS 130 Ca -0.12 -2.51 -0.00 0.00 -2.02 0.00 0.00 58.31 53.66 2djk n LYS 130 Cb 0.56 -1.53 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 2djk n LYS 130 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2djk s GLN 131 N -2.58 0.52 0.00 1.97 1.11 -1.26 -5.11 119.66 114.31 2djk s GLN 131 Ca 0.31 -0.28 0.00 0.00 0.01 0.00 0.00 55.36 55.40 2djk s GLN 131 Cb 0.26 0.18 0.00 0.00 -1.01 0.00 0.00 33.01 32.44 2djk s GLN 131 CO 0.05 -0.24 0.00 0.39 0.01 0.00 0.00 175.29 175.50 2djk n GLU 132 N -0.44 0.00 0.00 2.91 -0.58 -1.26 -5.23 120.64 116.04 2djk n GLU 132 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2djk n GLU 132 Cb 0.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.49 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06