#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 0.89 0.00 1.61 0.13 -2.10 -3.44 132.00 129.08 2djk h PRO 2 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2djk h PRO 2 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2djk h PRO 2 CO 0.00 1.13 0.00 -0.11 -0.23 0.00 0.00 178.00 178.79 2djk n LEU 3 N -4.09 -0.80 0.00 1.56 7.94 -1.26 -5.18 117.00 115.17 2djk n LEU 3 Ca -0.03 0.51 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2djk n LEU 3 Cb 0.55 0.94 0.00 0.00 0.53 0.00 0.00 43.42 45.44 2djk n LEU 3 CO 0.48 -0.59 0.00 0.61 -1.11 0.00 0.00 177.39 176.78 2djk n GLY 4 N 0.99 -1.82 2.78 -3.96 0.00 -1.26 -4.71 105.19 97.21 2djk n GLY 4 Ca 0.00 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 2djk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2djk n SER 5 N 0.21 4.48 0.20 1.61 7.64 -1.26 -4.85 113.62 121.65 2djk n SER 5 Ca 0.00 -3.62 0.06 0.00 1.01 0.00 0.00 58.87 56.33 2djk n SER 5 Cb 0.00 -0.64 0.39 0.00 -1.01 0.00 0.00 64.21 62.96 2djk n SER 5 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2djk h PRO 6 N 3.42 0.00 0.00 1.43 0.13 -2.02 -3.44 132.00 131.53 2djk h PRO 6 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2djk h PRO 6 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2djk h PRO 6 CO 0.85 0.33 0.00 -0.11 -0.23 0.00 0.00 178.00 178.85 2djk n LEU 7 N -3.59 -1.93 -4.65 1.56 0.00 -1.26 -5.09 117.00 102.04 2djk n LEU 7 Ca -0.01 0.61 -0.43 0.00 0.00 0.00 0.00 56.01 56.19 2djk n LEU 7 Cb 0.46 1.93 -0.03 0.00 0.00 0.00 0.00 43.42 45.78 2djk n LEU 7 CO 0.36 -0.28 0.83 -0.63 0.00 0.00 0.00 177.39 177.68 2djk s ILE 8 N -1.84 4.72 0.00 1.96 1.01 -1.25 -4.53 121.20 121.27 2djk s ILE 8 Ca 0.00 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.51 2djk s ILE 8 Cb 0.00 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2djk s ILE 8 CO 0.00 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.38 2djk n GLY 9 N 3.50 -0.50 3.84 6.18 0.00 -0.88 -4.68 105.19 112.66 2djk n GLY 9 Ca 0.10 0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 3.71 -0.13 1.61 2.02 -1.26 0.05 118.70 124.70 2djk s GLU 10 Ca 0.00 0.06 -0.18 0.00 0.02 0.00 0.00 54.97 54.87 2djk s GLU 10 Cb 0.00 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 2djk s GLU 10 CO 0.00 0.67 0.48 0.42 0.02 0.00 0.00 175.26 176.86 2djk s ILE 11 N -0.83 5.18 0.00 -1.63 1.01 -0.96 -4.83 121.20 119.15 2djk s ILE 11 Ca 0.18 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.78 2djk s ILE 11 Cb -0.14 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2djk s ILE 11 CO 0.07 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2djk n GLY 12 N 3.35 5.42 0.00 6.18 0.00 -1.26 -4.94 105.19 113.93 2djk n GLY 12 Ca -0.07 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.31 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 0.87 0.00 1.61 -0.04 -1.26 -3.13 135.00 133.05 2djk n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2djk n PRO 13 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.03 1.51 -0.03 0.54 1.02 -1.26 -4.71 120.64 116.69 2djk n GLU 14 Ca 0.21 -1.04 -0.02 0.00 -0.02 0.00 0.00 57.16 56.30 2djk n GLU 14 Cb 0.11 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.28 0.40 0.21 2.62 -2.24 -1.18 -4.55 114.28 109.25 2djk n THR 15 Ca 0.00 -0.30 -0.16 0.00 -2.27 0.00 0.00 64.05 61.32 2djk n THR 15 Cb 0.25 -0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.38 -0.23 4.78 -1.99 -1.83 -0.93 116.97 115.39 2djk h TYR 16 Ca -0.16 0.02 0.07 0.00 2.00 0.00 0.00 58.73 60.66 2djk h TYR 16 Cb 1.21 0.56 -0.01 0.00 2.00 0.00 0.00 36.73 40.49 2djk h TYR 16 CO 0.00 -0.60 0.23 1.03 -0.00 0.00 0.00 178.16 178.81 2djk h SER 17 N -0.85 0.00 -0.12 3.88 0.87 -1.88 0.43 113.55 115.88 2djk h SER 17 Ca -0.04 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.39 2djk h SER 17 Cb 0.78 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.74 2djk h SER 17 CO -0.15 0.00 -0.46 -0.78 -0.53 0.00 0.00 176.83 174.91 2djk h ASP 18 N 0.00 0.61 1.22 6.23 1.82 -1.54 0.42 116.42 125.18 2djk h ASP 18 Ca 0.11 -0.62 -0.14 0.00 -0.39 0.00 0.00 57.03 55.99 2djk h ASP 18 Cb 0.57 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 2djk h ASP 18 CO -0.00 1.13 -0.68 1.88 -1.61 0.00 0.00 179.24 179.96 2djk h TYR 19 N 0.12 0.00 0.00 0.28 0.05 -0.23 0.20 116.97 117.40 2djk h TYR 19 Ca -0.02 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.55 2djk h TYR 19 Cb 1.10 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.81 2djk h TYR 19 CO 0.11 0.68 -1.00 1.98 -1.05 0.00 0.00 178.16 178.87 2djk h MET 20 N 0.00 0.00 -0.01 4.88 4.05 -0.18 -3.24 114.93 120.44 2djk h MET 20 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 2djk h MET 20 Cb 1.47 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 2djk h MET 20 CO 0.09 0.97 -0.59 0.45 0.23 0.00 0.00 176.91 178.05 2djk n SER 21 N -3.34 1.54 0.20 1.39 2.88 0.15 -4.23 113.62 112.21 2djk n SER 21 Ca -0.00 -1.23 0.04 0.00 -1.33 0.00 0.00 58.87 56.35 2djk n SER 21 Cb 0.94 0.56 0.45 0.00 -0.75 0.00 0.00 64.21 65.41 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 3.57 1.60 0.00 -1.46 0.00 -0.62 -3.47 119.26 118.89 2djk h ALA 22 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2djk h ALA 22 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2djk h ALA 22 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2djk n GLY 23 N -0.88 0.72 3.13 0.00 0.00 -1.26 -5.07 105.19 101.83 2djk n GLY 23 Ca -0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 0.61 0.41 -0.61 -4.36 -1.26 -4.77 121.20 109.21 2djk s ILE 24 Ca 0.00 -1.63 -0.26 0.00 -0.26 0.00 0.00 60.65 58.50 2djk s ILE 24 Cb 0.00 -1.30 -0.10 0.00 1.25 0.00 0.00 42.46 42.31 2djk s ILE 24 CO 0.00 -0.71 1.26 -0.81 0.24 0.00 0.00 174.94 174.92 2djk n PRO 25 N 0.49 1.93 -3.75 0.37 -0.04 -1.24 -4.05 135.00 128.71 2djk n PRO 25 Ca -0.16 0.68 -0.36 0.00 -0.04 0.00 0.00 63.50 63.63 2djk n PRO 25 Cb 0.59 -2.35 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 2djk n PRO 25 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2djk s LEU 26 N -1.49 4.27 -0.84 1.53 0.20 0.50 -0.11 118.68 122.74 2djk s LEU 26 Ca 0.60 0.34 -0.08 0.00 0.69 0.00 0.00 54.13 55.67 2djk s LEU 26 Cb -0.52 -2.12 0.22 0.00 -0.43 0.00 0.00 46.19 43.33 2djk s LEU 26 CO 0.59 0.24 0.75 0.00 -0.29 0.00 0.00 176.35 177.63 2djk s ALA 27 N -0.06 4.10 0.30 5.97 0.00 0.13 -0.12 121.76 132.08 2djk s ALA 27 Ca 0.11 -3.49 -0.29 0.00 0.00 0.00 0.00 51.96 48.30 2djk s ALA 27 Cb -0.12 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 2djk s ALA 27 CO 0.01 -2.20 1.07 0.71 0.00 0.00 0.00 175.76 175.35 2djk s TYR 28 N -0.39 3.57 -0.44 0.00 2.02 0.27 -1.40 117.35 120.99 2djk s TYR 28 Ca 0.21 1.71 0.02 0.00 -0.37 0.00 0.00 57.07 58.65 2djk s TYR 28 Cb -0.12 -3.23 0.15 0.00 -0.40 0.00 0.00 41.96 38.36 2djk s TYR 28 CO -0.08 -0.46 0.29 0.42 -1.57 0.00 0.00 175.55 174.16 2djk s ILE 29 N -1.25 0.97 0.41 2.71 1.09 -0.42 0.11 121.20 124.83 2djk s ILE 29 Ca 0.46 -2.59 -0.24 0.00 -1.10 0.00 0.00 60.65 57.19 2djk s ILE 29 Cb -0.30 -1.67 -0.08 0.00 -1.06 0.00 0.00 42.46 39.35 2djk s ILE 29 CO 0.38 -1.03 1.12 -0.36 -0.10 0.00 0.00 174.94 174.95 2djk s PHE 30 N 0.22 3.10 -0.26 3.97 0.40 0.20 -0.05 117.98 125.56 2djk s PHE 30 Ca 0.23 1.59 -0.07 0.00 -0.60 0.00 0.00 56.93 58.08 2djk s PHE 30 Cb -0.13 -3.28 0.13 0.00 0.51 0.00 0.00 43.02 40.24 2djk s PHE 30 CO -0.07 -1.09 0.54 0.00 0.70 0.00 0.00 175.22 175.30 2djk s ALA 31 N -1.54 -1.72 -0.74 5.36 0.00 0.14 0.37 121.76 123.63 2djk s ALA 31 Ca 0.59 1.86 0.20 0.00 0.00 0.00 0.00 51.96 54.62 2djk s ALA 31 Cb -0.27 -1.70 0.83 0.00 0.00 0.00 0.00 23.12 21.99 2djk s ALA 31 CO 0.33 -0.98 1.62 0.39 0.00 0.00 0.00 175.76 177.12 2djk n GLU 32 N 5.42 0.11 -3.53 0.00 1.02 -1.26 -2.48 120.64 119.91 2djk n GLU 32 Ca -0.08 0.32 -0.41 0.00 -0.02 0.00 0.00 57.16 56.96 2djk n GLU 32 Cb 0.50 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 30.15 2djk n GLU 32 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2djk s THR 33 N -3.15 4.39 -2.18 2.62 -1.32 -1.26 -4.77 115.64 109.96 2djk s THR 33 Ca 0.06 -2.01 0.18 0.00 -1.21 0.00 0.00 61.69 58.71 2djk s THR 33 Cb 0.10 -3.85 0.42 0.00 -1.51 0.00 0.00 72.50 67.65 2djk s THR 33 CO 0.36 -0.83 1.47 0.00 -2.21 0.00 0.00 174.62 173.41 2djk n ALA 34 N 4.63 2.50 -0.11 11.08 0.00 -1.26 -3.18 120.51 134.17 2djk n ALA 34 Ca -0.04 -0.52 -0.20 0.00 0.00 0.00 0.00 53.44 52.69 2djk n ALA 34 Cb 0.41 -1.07 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 0.30 0.55 -0.34 0.00 4.71 -1.26 -4.34 120.64 120.27 2djk n GLU 35 Ca 0.15 0.45 0.06 0.00 -0.01 0.00 0.00 57.16 57.81 2djk n GLU 35 Cb 0.30 -1.64 0.22 0.00 -1.01 0.00 0.00 31.44 29.31 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 0.09 0.00 0.00 177.13 176.37 2djk n GLU 36 N -4.41 2.50 -0.26 3.49 0.28 -1.26 -4.42 120.64 116.56 2djk n GLU 36 Ca -0.33 -1.75 0.33 0.00 -0.16 0.00 0.00 57.16 55.25 2djk n GLU 36 Cb 0.66 -1.56 0.70 0.00 1.43 0.00 0.00 31.44 32.67 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 2.62 0.00 -0.56 3.44 1.12 -1.74 0.21 114.38 119.47 2djk h ARG 37 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 59.98 58.94 2djk h ARG 37 Cb 0.87 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.78 2djk h ARG 37 CO 0.10 0.00 0.25 0.87 -3.11 0.00 0.00 179.97 178.08 2djk h LYS 38 N 0.00 0.46 -0.34 0.20 1.57 -1.91 0.31 116.57 116.86 2djk h LYS 38 Ca 0.52 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 59.21 2djk h LYS 38 Cb 2.34 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.53 2djk h LYS 38 CO -0.01 0.30 -0.03 0.93 -0.57 0.00 0.00 179.45 180.08 2djk h GLU 39 N 0.47 0.61 0.66 3.15 5.08 -0.95 -0.06 114.58 123.55 2djk h GLU 39 Ca 0.26 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 2djk h GLU 39 Cb 0.24 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2djk h GLU 39 CO -0.22 0.76 -0.32 1.25 -1.00 0.00 0.00 179.01 179.48 2djk h LEU 40 N 0.41 -0.75 -2.39 1.33 7.12 -1.35 -2.46 115.31 117.23 2djk h LEU 40 Ca 0.09 -0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 2djk h LEU 40 Cb 0.50 0.19 -0.00 0.00 -0.53 0.00 0.00 40.66 40.83 2djk h LEU 40 CO 0.02 -0.47 -0.02 0.28 -0.13 0.00 0.00 178.44 178.12 2djk h SER 41 N -0.98 0.00 0.33 1.25 0.02 -0.45 -2.30 113.55 111.42 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 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2djk h SER 41 CO 0.15 0.02 -0.16 -0.78 -1.14 0.00 0.00 176.83 174.92 2djk h ASP 42 N 0.00 -0.37 -1.13 3.07 3.58 -0.65 0.72 116.42 121.64 2djk h ASP 42 Ca -0.00 0.01 0.32 0.00 0.42 0.00 0.00 57.03 57.78 2djk h ASP 42 Cb 0.18 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 2djk h ASP 42 CO 0.00 -0.20 0.79 0.11 -2.88 0.00 0.00 179.24 177.07 2djk h LYS 43 N -0.58 0.10 0.00 0.28 6.56 -1.33 1.95 116.57 123.55 2djk h LYS 43 Ca -0.04 -0.01 -0.06 0.00 -1.06 0.00 0.00 60.65 59.48 2djk h LYS 43 Cb 0.34 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2djk h LYS 43 CO 0.07 0.07 -0.28 -0.07 -2.06 0.00 0.00 179.45 177.18 2djk h LEU 44 N 0.10 0.00 -0.72 2.94 3.38 -1.15 -3.06 115.31 116.80 2djk h LEU 44 Ca 0.57 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.62 2djk h LEU 44 Cb 2.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.72 2djk h LEU 44 CO -0.09 0.28 0.39 0.11 0.09 0.00 0.00 178.44 179.21 2djk h LYS 45 N 0.00 0.66 0.18 1.13 1.57 0.96 -1.38 116.57 119.70 2djk h LYS 45 Ca -0.00 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.42 2djk h LYS 45 Cb 1.09 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.27 2djk h LYS 45 CO 0.04 0.44 -1.52 -1.00 -0.57 0.00 0.00 179.45 176.83 2djk h PRO 46 N 0.68 0.38 -0.16 3.15 0.13 -1.62 -0.42 132.00 134.13 2djk h PRO 46 Ca 0.34 -0.65 0.05 0.00 -0.87 0.00 0.00 66.00 64.87 2djk h PRO 46 Cb 0.30 0.24 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2djk h PRO 46 CO -0.23 1.31 0.37 -0.84 -0.23 0.00 0.00 178.00 178.39 2djk h ILE 47 N -0.03 0.16 0.00 -3.56 -0.00 -1.39 0.41 117.51 113.10 2djk h ILE 47 Ca -0.30 0.00 -0.20 0.00 -0.00 0.00 0.00 64.86 64.37 2djk h ILE 47 Cb 1.99 0.66 -0.04 0.00 -0.00 0.00 0.00 36.82 39.43 2djk h ILE 47 CO 0.17 0.00 -1.90 0.00 -0.00 0.00 0.00 178.15 176.41 2djk n ALA 48 N -2.08 1.87 0.31 0.16 0.00 -0.54 -4.24 120.51 115.99 2djk n ALA 48 Ca 0.02 -0.80 0.19 0.00 0.00 0.00 0.00 53.44 52.85 2djk n ALA 48 Cb 0.47 -0.16 1.06 0.00 0.00 0.00 0.00 19.45 20.83 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 0.84 1.47 114.58 121.10 2djk h GLU 49 Ca -0.29 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.01 2djk h GLU 49 Cb 1.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.82 2djk h GLU 49 CO 0.02 0.00 -0.91 0.00 -2.18 0.00 0.00 179.01 175.94 2djk h ALA 50 N 1.95 0.65 -0.67 2.92 0.00 -1.57 -3.34 119.26 119.20 2djk h ALA 50 Ca 0.01 -0.62 -0.45 0.00 0.00 0.00 0.00 54.91 53.85 2djk h ALA 50 Cb 0.07 0.06 -0.42 0.00 0.00 0.00 0.00 17.79 17.51 2djk h ALA 50 CO -0.00 0.76 -0.92 0.00 0.00 0.00 0.00 179.25 179.09 2djk n GLN 51 N -3.08 2.95 0.09 0.00 10.64 0.18 -4.81 117.38 123.35 2djk n GLN 51 Ca -0.03 -3.95 -0.06 0.00 -1.83 0.00 0.00 57.00 51.14 2djk n GLN 51 Cb 0.78 -2.04 0.08 0.00 -0.86 0.00 0.00 30.24 28.20 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 2.35 0.18 -0.39 2.61 0.11 0.16 -1.02 114.38 118.38 2djk h ARG 52 Ca 0.19 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2djk h ARG 52 Cb 1.43 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.54 2djk h ARG 52 CO 0.57 0.81 0.00 0.41 0.10 0.00 0.00 179.97 181.85 2djk n GLY 53 N 0.47 1.81 0.02 0.08 0.00 -1.26 -4.43 105.19 101.87 2djk n GLY 53 Ca -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 0.22 -4.47 1.61 3.14 -1.20 -5.04 118.33 113.80 2djk n VAL 54 Ca 0.17 -0.13 -0.22 0.00 -2.96 0.00 0.00 64.34 61.20 2djk n VAL 54 Cb 0.53 -0.86 -0.14 0.00 -1.06 0.00 0.00 33.84 32.31 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 -2.08 1.26 -0.53 1.55 1.01 -0.39 -3.63 121.20 118.40 2djk s ILE 55 Ca -0.02 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 2djk s ILE 55 Cb 0.01 -1.12 0.06 0.00 0.01 0.00 0.00 42.46 41.43 2djk s ILE 55 CO 0.12 0.10 0.68 0.20 0.00 0.00 0.00 174.94 176.05 2djk s ASN 56 N -1.04 6.23 0.13 3.58 0.01 0.85 -4.49 114.94 120.21 2djk s ASN 56 Ca 0.04 -0.91 -0.30 0.00 -0.71 0.00 0.00 52.86 50.98 2djk s ASN 56 Cb -0.08 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 39.20 2djk s ASN 56 CO 0.01 -0.97 1.18 0.12 -1.51 0.00 0.00 177.10 175.93 2djk s PHE 57 N 2.83 3.46 -0.28 2.20 5.36 -1.26 0.19 117.98 130.49 2djk s PHE 57 Ca 0.17 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.53 2djk s PHE 57 Cb -0.19 -3.40 0.16 0.00 -0.34 0.00 0.00 43.02 39.26 2djk s PHE 57 CO 0.12 -1.13 0.49 0.20 -1.46 0.00 0.00 175.22 173.44 2djk s GLY 58 N 0.51 -0.74 0.52 13.12 0.00 -0.49 -2.07 107.32 118.17 2djk s GLY 58 Ca 0.55 1.25 -0.18 0.00 0.00 0.00 0.00 44.72 46.34 2djk s GLY 58 CO 0.33 3.08 1.03 -0.51 0.00 0.00 0.00 173.10 177.03 2djk s THR 59 N 2.70 3.94 0.16 0.90 -4.23 0.11 -1.29 115.64 117.93 2djk s THR 59 Ca 0.16 1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 61.61 2djk s THR 59 Cb -0.15 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.23 2djk s THR 59 CO -0.20 -0.40 0.35 -0.51 -0.54 0.00 0.00 174.62 173.31 2djk s ILE 60 N -2.26 0.06 -0.24 2.99 2.07 0.93 -2.26 121.20 122.50 2djk s ILE 60 Ca 0.64 -1.17 -0.24 0.00 -1.41 0.00 0.00 60.65 58.48 2djk s ILE 60 Cb -0.15 -1.69 -0.01 0.00 0.13 0.00 0.00 42.46 40.74 2djk s ILE 60 CO 0.27 -0.28 0.78 -0.62 -1.91 0.00 0.00 174.94 173.18 2djk s ASP 61 N -2.92 6.78 0.00 4.50 2.15 -1.26 0.27 116.67 126.18 2djk s ASP 61 Ca 0.13 0.97 0.17 0.00 0.43 0.00 0.00 52.55 54.25 2djk s ASP 61 Cb 0.02 -2.41 0.78 0.00 -0.30 0.00 0.00 42.92 41.01 2djk s ASP 61 CO -0.02 -0.48 1.54 0.00 -0.17 0.00 0.00 175.17 176.04 2djk n ALA 62 N 5.89 2.54 -0.09 3.66 0.00 -1.04 -0.84 120.51 130.64 2djk n ALA 62 Ca 0.04 -0.33 -0.10 0.00 0.00 0.00 0.00 53.44 53.05 2djk n ALA 62 Cb 0.48 -1.15 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.15 1.13 -0.03 0.00 4.81 -1.26 -3.86 118.16 118.80 2djk n LYS 63 Ca 0.14 0.03 -0.03 0.00 -0.87 0.00 0.00 58.31 57.57 2djk n LYS 63 Cb 0.20 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.74 1.85 0.37 3.14 0.00 -1.24 -4.66 120.51 117.24 2djk n ALA 64 Ca -0.29 -0.37 0.10 0.00 0.00 0.00 0.00 53.44 52.88 2djk n ALA 64 Cb 0.98 0.17 -0.14 0.00 0.00 0.00 0.00 19.45 20.45 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 -2.31 0.00 -0.26 0.00 -0.00 -0.21 -4.59 117.46 110.09 2djk n PHE 65 Ca -0.10 0.00 0.23 0.00 -0.00 0.00 0.00 57.45 57.58 2djk n PHE 65 Cb 0.68 -0.28 0.40 0.00 -0.00 0.00 0.00 39.48 40.27 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 1.38 -0.50 0.25 7.13 0.00 -0.02 0.27 105.19 113.70 2djk n GLY 66 Ca -0.01 0.48 0.13 0.00 0.00 0.00 0.00 46.02 46.62 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 1.07 1.16 -0.00 4.61 0.00 -1.87 0.79 119.26 125.02 2djk h ALA 67 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2djk h ALA 67 Cb 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2djk h ALA 67 CO -0.35 -0.16 -0.68 0.72 0.00 0.00 0.00 179.25 178.78 2djk n HIS 68 N -2.53 0.00 -0.00 0.00 -0.00 0.76 -3.79 115.22 109.67 2djk n HIS 68 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.58 2djk n HIS 68 Cb 0.23 -0.12 -0.10 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 3.12 -0.07 -0.07 -1.41 0.00 0.53 -3.31 119.26 118.05 2djk h ALA 69 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2djk h ALA 69 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2djk h ALA 69 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2djk n GLY 70 N 0.68 0.25 0.00 0.00 0.00 -1.23 -3.92 105.19 100.97 2djk n GLY 70 Ca -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 0.39 0.00 -0.00 1.61 5.03 -1.25 -0.45 115.26 120.59 2djk n ASN 71 Ca 0.18 0.49 0.02 0.00 0.87 0.00 0.00 54.58 56.14 2djk n ASN 71 Cb 0.38 -0.49 -0.03 0.00 -1.02 0.00 0.00 39.78 38.62 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 -1.49 0.07 0.00 3.41 -0.00 -1.25 -5.03 117.00 112.70 2djk n LEU 72 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 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 0.01 0.02 0.00 -3.20 -0.00 0.00 0.00 177.39 174.22 2djk n ASN 73 N -1.49 0.00 -3.87 1.45 4.05 0.41 -4.75 115.26 111.06 2djk n ASN 73 Ca -0.00 0.00 -0.19 0.00 0.45 0.00 0.00 54.58 54.83 2djk n ASN 73 Cb 0.10 0.07 0.02 0.00 1.23 0.00 0.00 39.78 41.20 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 -1.48 -2.45 -0.02 1.20 4.32 -1.24 -4.81 117.00 112.53 2djk n LEU 74 Ca 0.00 -0.02 0.05 0.00 -0.02 0.00 0.00 56.01 56.02 2djk n LEU 74 Cb 0.00 -0.52 -0.10 0.00 -1.62 0.00 0.00 43.42 41.18 2djk n LEU 74 CO 0.00 -2.30 -0.70 2.29 -1.22 0.00 0.00 177.39 175.47 2djk n LYS 75 N 2.02 0.67 -0.94 3.23 0.00 -1.26 -4.02 118.16 117.86 2djk n LYS 75 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 2djk n LYS 75 Cb 0.38 -1.32 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 2djk n LYS 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2djk n THR 76 N -2.05 0.00 -0.04 0.58 -2.24 -1.26 -4.84 114.28 104.44 2djk n THR 76 Ca -0.05 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.57 2djk n THR 76 Cb 0.44 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 68.11 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 0.11 -2.40 3.42 3.32 -1.95 -3.48 116.42 115.45 2djk h ASP 77 Ca 0.00 -0.94 -0.61 0.00 0.02 0.00 0.00 57.03 55.50 2djk h ASP 77 Cb 0.07 -0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.45 2djk h ASP 77 CO 0.00 1.04 -0.76 -0.75 -1.72 0.00 0.00 179.24 177.06 2djk s LYS 78 N -2.46 1.74 0.22 3.56 2.47 -1.26 -5.15 119.74 118.86 2djk s LYS 78 Ca -0.18 -1.67 -0.20 0.00 -1.56 0.00 0.00 55.97 52.36 2djk s LYS 78 Cb -0.02 -1.84 0.04 0.00 -1.46 0.00 0.00 37.83 34.55 2djk s LYS 78 CO 0.72 0.35 0.61 -0.06 0.16 0.00 0.00 175.35 177.13 2djk s PHE 79 N -2.32 -0.24 0.82 4.03 0.40 -1.26 -4.39 117.98 115.01 2djk s PHE 79 Ca 0.28 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 2djk s PHE 79 Cb -0.06 0.54 0.09 0.00 0.51 0.00 0.00 43.02 44.10 2djk s PHE 79 CO 0.15 -1.02 1.18 -1.25 0.70 0.00 0.00 175.22 174.97 2djk s PRO 80 N -3.86 1.63 0.34 0.24 0.04 -1.26 -4.80 135.00 127.33 2djk s PRO 80 Ca 0.08 1.63 0.10 0.00 0.04 0.00 0.00 61.00 62.85 2djk s PRO 80 Cb -0.03 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.66 2djk s PRO 80 CO -0.02 -2.19 -0.09 0.00 0.04 0.00 0.00 177.00 174.74 2djk s ALA 81 N -2.34 2.97 -0.02 8.56 0.00 0.16 -4.91 121.76 126.18 2djk s ALA 81 Ca 0.70 -2.05 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2djk s ALA 81 Cb -0.26 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2djk s ALA 81 CO 0.52 0.10 0.01 0.12 0.00 0.00 0.00 175.76 176.50 2djk s PHE 82 N -2.59 0.22 0.08 0.00 2.19 -1.26 0.60 117.98 117.23 2djk s PHE 82 Ca 0.33 0.03 0.09 0.00 0.33 0.00 0.00 56.93 57.70 2djk s PHE 82 Cb 0.01 -0.32 -0.03 0.00 -1.31 0.00 0.00 43.02 41.37 2djk s PHE 82 CO 0.17 -0.10 -0.24 0.00 1.83 0.00 0.00 175.22 176.88 2djk s ALA 83 N 0.88 2.03 -0.56 11.12 0.00 0.12 0.12 121.76 135.48 2djk s ALA 83 Ca -0.08 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.66 2djk s ALA 83 Cb -0.12 -0.35 0.17 0.00 0.00 0.00 0.00 23.12 22.81 2djk s ALA 83 CO -0.02 0.45 0.40 0.42 0.00 0.00 0.00 175.76 177.02 2djk s ILE 84 N -0.96 1.68 0.24 0.00 1.01 -1.20 0.97 121.20 122.93 2djk s ILE 84 Ca 0.10 -3.42 -0.30 0.00 0.00 0.00 0.00 60.65 57.03 2djk s ILE 84 Cb -0.10 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 2djk s ILE 84 CO 0.04 -1.09 1.08 -1.58 0.00 0.00 0.00 174.94 173.39 2djk s GLN 85 N -0.64 4.65 -0.29 2.79 0.74 0.83 -0.32 119.66 127.42 2djk s GLN 85 Ca 0.27 1.74 -0.11 0.00 0.05 0.00 0.00 55.36 57.31 2djk s GLN 85 Cb -0.03 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 2djk s GLN 85 CO -0.16 0.19 0.19 -1.21 -0.55 0.00 0.00 175.29 173.75 2djk s GLU 86 N -1.01 3.78 -0.11 1.67 0.41 0.39 0.19 118.70 124.03 2djk s GLU 86 Ca 0.46 -0.43 0.06 0.00 -0.41 0.00 0.00 54.97 54.64 2djk s GLU 86 Cb -0.30 -3.67 0.35 0.00 -1.78 0.00 0.00 34.13 28.73 2djk s GLU 86 CO 0.38 -0.26 1.07 0.28 -0.49 0.00 0.00 175.26 176.24 2djk n VAL 87 N 5.06 1.26 0.00 2.63 0.31 -1.26 -0.89 118.33 125.44 2djk n VAL 87 Ca -0.14 -0.62 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 2djk n VAL 87 Cb 0.51 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 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 0.24 1.97 0.15 3.52 0.00 -1.26 -4.63 120.51 120.48 2djk n ALA 88 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.60 2djk n ALA 88 Cb 0.69 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.41 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 -2.10 2.38 -1.12 0.00 4.81 -1.25 -4.99 118.16 115.89 2djk n LYS 89 Ca 0.00 -0.03 -0.00 0.00 -0.87 0.00 0.00 58.31 57.40 2djk n LYS 89 Cb 0.33 -1.00 -0.00 0.00 0.02 0.00 0.00 35.03 34.38 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 -1.47 -2.85 -4.91 3.14 2.85 -0.07 -5.03 115.26 106.93 2djk n ASN 90 Ca -0.00 0.01 -0.28 0.00 -0.11 0.00 0.00 54.58 54.20 2djk n ASN 90 Cb 0.15 -0.59 0.03 0.00 1.24 0.00 0.00 39.78 40.61 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 -2.24 2.91 -0.30 1.20 2.00 -1.24 -4.74 119.66 117.26 2djk s GLN 91 Ca 0.00 0.12 -0.03 0.00 -2.00 0.00 0.00 55.36 53.44 2djk s GLN 91 Cb 0.00 -2.21 0.10 0.00 0.80 0.00 0.00 33.01 31.70 2djk s GLN 91 CO 0.00 -0.78 0.14 0.15 -0.50 0.00 0.00 175.29 174.30 2djk s LYS 92 N -5.08 0.25 -1.06 1.67 -0.14 -1.26 0.15 119.74 114.27 2djk s LYS 92 Ca 0.55 -0.63 -0.04 0.00 -1.36 0.00 0.00 55.97 54.49 2djk s LYS 92 Cb -0.11 -1.22 0.30 0.00 -1.68 0.00 0.00 37.83 35.13 2djk s LYS 92 CO 0.47 -1.03 1.41 1.19 -0.76 0.00 0.00 175.35 176.63 2djk n PHE 93 N 5.13 2.58 -1.57 3.18 3.01 0.57 -4.74 117.46 125.62 2djk n PHE 93 Ca -0.04 -2.78 -0.29 0.00 1.01 0.00 0.00 57.45 55.35 2djk n PHE 93 Cb 0.42 -1.25 0.12 0.00 -0.01 0.00 0.00 39.48 38.75 2djk n PHE 93 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2djk s PRO 94 N -2.65 1.45 0.64 -1.08 0.04 -1.26 -3.27 135.00 128.86 2djk s PRO 94 Ca 0.31 0.37 -0.04 0.00 0.04 0.00 0.00 61.00 61.68 2djk s PRO 94 Cb 0.04 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.76 2djk s PRO 94 CO 0.08 -2.00 0.92 0.12 0.04 0.00 0.00 177.00 176.16 2djk s PHE 95 N -3.27 2.94 0.33 0.56 5.36 0.33 -4.88 117.98 119.35 2djk s PHE 95 Ca 0.63 0.31 -0.18 0.00 -0.96 0.00 0.00 56.93 56.72 2djk s PHE 95 Cb -0.14 -2.98 -0.09 0.00 -0.34 0.00 0.00 43.02 39.46 2djk s PHE 95 CO 0.53 -1.15 0.80 -0.51 -1.46 0.00 0.00 175.22 173.43 2djk s ASP 96 N -4.46 6.93 -0.38 6.13 1.11 -1.26 -4.56 116.67 120.18 2djk s ASP 96 Ca 0.58 1.46 0.07 0.00 0.18 0.00 0.00 52.55 54.84 2djk s ASP 96 Cb -0.11 -2.44 0.65 0.00 1.07 0.00 0.00 42.92 42.09 2djk s ASP 96 CO 0.42 -0.18 1.79 0.00 1.18 0.00 0.00 175.17 178.38 2djk n GLN 97 N -0.11 2.48 -0.42 8.23 6.02 -1.26 -4.15 117.38 128.18 2djk n GLN 97 Ca 0.03 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 2djk n GLN 97 Cb 0.53 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.69 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 -0.92 0.00 0.00 -1.09 0.28 -1.26 -4.85 120.64 112.80 2djk n GLU 98 Ca 0.49 -0.19 0.03 0.00 -0.16 0.00 0.00 57.16 57.34 2djk n GLU 98 Cb 1.46 -0.10 -0.02 0.00 1.43 0.00 0.00 31.44 34.20 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 3.71 -1.20 3.44 4.81 -1.26 -5.07 118.16 122.59 2djk n LYS 99 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2djk n LYS 99 Cb 0.53 -0.90 0.00 0.00 0.02 0.00 0.00 35.03 34.68 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 -0.83 0.00 -2.20 1.64 2.13 -1.26 -4.92 120.64 115.21 2djk n GLU 100 Ca 0.02 0.40 -0.34 0.00 0.66 0.00 0.00 57.16 57.90 2djk n GLU 100 Cb 0.13 -0.80 -0.04 0.00 0.27 0.00 0.00 31.44 31.00 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 3.54 0.00 6.31 1.01 -1.26 -4.84 121.20 125.96 2djk s ILE 101 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2djk s ILE 101 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2djk s ILE 101 CO 0.00 -1.23 0.00 0.35 0.00 0.00 0.00 174.94 174.06 2djk n THR 102 N 7.36 0.00 -0.09 2.92 -2.24 -1.26 -5.01 114.28 115.96 2djk n THR 102 Ca 0.30 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.98 2djk n THR 102 Cb 0.49 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.00 -0.10 4.78 7.35 -1.26 -3.83 117.46 124.39 2djk n PHE 103 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2djk n PHE 103 Cb 0.00 -0.50 0.49 0.00 0.35 0.00 0.00 39.48 39.82 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 -0.99 0.43 -0.05 -4.13 4.39 -1.97 0.60 114.58 112.85 2djk h GLU 104 Ca -0.01 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 2djk h GLU 104 Cb 1.00 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2djk h GLU 104 CO -0.01 0.28 -0.64 0.00 -1.16 0.00 0.00 179.01 177.48 2djk h ALA 105 N 1.68 0.81 0.10 3.43 0.00 -1.89 -0.33 119.26 123.06 2djk h ALA 105 Ca 0.29 -0.57 -0.33 0.00 0.00 0.00 0.00 54.91 54.30 2djk h ALA 105 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2djk h ALA 105 CO -0.09 0.76 -1.80 0.82 0.00 0.00 0.00 179.25 178.95 2djk h ILE 106 N 0.15 0.71 -0.24 0.00 1.08 -1.33 -2.31 117.51 115.58 2djk h ILE 106 Ca -0.01 -2.31 -0.01 0.00 -0.39 0.00 0.00 64.86 62.15 2djk h ILE 106 Cb 1.16 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.35 2djk h ILE 106 CO 0.10 0.75 0.13 0.07 -0.69 0.00 0.00 178.15 178.50 2djk h LYS 107 N -0.20 0.33 0.11 2.37 2.10 0.05 0.38 116.57 121.71 2djk h LYS 107 Ca -0.40 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 2djk h LYS 107 Cb 1.85 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.12 2djk h LYS 107 CO 0.02 0.31 -0.05 0.00 -2.00 0.00 0.00 179.45 177.72 2djk h ALA 108 N 1.00 -0.15 0.24 0.07 0.00 -1.21 -0.89 119.26 118.33 2djk h ALA 108 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2djk h ALA 108 Cb 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2djk h ALA 108 CO -0.01 -0.46 -0.26 0.35 0.00 0.00 0.00 179.25 178.87 2djk h PHE 109 N -0.40 -0.73 -0.96 0.00 3.57 -1.27 0.76 116.94 117.91 2djk h PHE 109 Ca -0.02 0.01 0.19 0.00 3.53 0.00 0.00 57.97 61.68 2djk h PHE 109 Cb 0.33 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 39.27 2djk h PHE 109 CO 0.01 -0.34 0.61 -0.39 -2.23 0.00 0.00 178.31 175.96 2djk h VAL 110 N -0.51 0.70 -0.29 1.41 -1.51 -0.33 0.93 116.25 116.65 2djk h VAL 110 Ca -0.03 -0.21 -0.11 0.00 -1.23 0.00 0.00 66.70 65.12 2djk h VAL 110 Cb 0.45 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 29.65 2djk h VAL 110 CO -0.04 0.11 -0.28 -0.78 -1.23 0.00 0.00 177.57 175.35 2djk h ASP 111 N 0.60 0.60 -0.53 4.19 3.58 -0.73 -0.21 116.42 123.92 2djk h ASP 111 Ca 0.52 -0.22 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2djk h ASP 111 Cb 1.02 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 2djk h ASP 111 CO -0.27 0.86 0.18 -0.78 -2.88 0.00 0.00 179.24 176.35 2djk h ASP 112 N 0.51 0.81 0.31 2.28 3.58 0.73 0.52 116.42 125.16 2djk h ASP 112 Ca 0.07 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 2djk h ASP 112 Cb 0.74 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2djk h ASP 112 CO 0.06 0.76 -0.15 0.15 -2.88 0.00 0.00 179.24 177.18 2djk h PHE 113 N 0.85 -0.38 -0.76 0.28 3.57 0.12 3.64 116.94 124.25 2djk h PHE 113 Ca 0.19 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.73 2djk h PHE 113 Cb 0.25 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 2djk h PHE 113 CO 0.02 -0.24 0.50 0.28 -2.23 0.00 0.00 178.31 176.64 2djk h VAL 114 N -0.48 1.07 -0.31 1.41 2.07 -1.04 -1.83 116.25 117.14 2djk h VAL 114 Ca -0.04 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2djk h VAL 114 Cb 0.32 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 2djk h VAL 114 CO 0.07 0.16 -0.11 0.00 0.02 0.00 0.00 177.57 177.71 2djk h ALA 115 N 1.58 1.25 0.00 1.67 0.00 0.02 -3.46 119.26 120.32 2djk h ALA 115 Ca 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2djk h ALA 115 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2djk h ALA 115 CO -0.10 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.05 2djk n GLY 116 N -0.66 1.92 0.10 0.00 0.00 -0.65 -5.06 105.19 100.84 2djk n GLY 116 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.53 -2.34 1.61 0.00 1.20 -4.97 118.16 114.19 2djk n LYS 117 Ca 0.00 0.28 -0.35 0.00 0.00 0.00 0.00 58.31 58.25 2djk n LYS 117 Cb 0.00 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 33.53 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 -2.72 3.37 0.26 3.15 1.01 -0.56 -4.90 121.20 120.82 2djk s ILE 118 Ca -0.29 0.85 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 2djk s ILE 118 Cb 0.06 -3.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2djk s ILE 118 CO 0.42 -0.19 0.42 -1.61 0.00 0.00 0.00 174.94 173.98 2djk s GLU 119 N -3.29 1.58 -0.26 2.79 2.02 -1.26 -4.74 118.70 115.54 2djk s GLU 119 Ca 0.71 -1.43 -0.39 0.00 0.02 0.00 0.00 54.97 53.88 2djk s GLU 119 Cb -0.21 0.43 -0.15 0.00 0.10 0.00 0.00 34.13 34.30 2djk s GLU 119 CO 0.25 -0.64 1.79 -2.30 0.02 0.00 0.00 175.26 174.39 2djk n PRO 120 N -0.40 1.30 -0.09 0.39 -0.02 -1.26 -4.89 135.00 130.03 2djk n PRO 120 Ca -0.01 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.79 2djk n PRO 120 Cb 0.62 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 2djk n PRO 120 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2djk h SER 121 N 7.79 0.00 -5.04 2.55 4.64 -1.99 -3.50 113.55 117.99 2djk h SER 121 Ca -0.46 -0.36 -0.04 0.00 -0.47 0.00 0.00 61.79 60.46 2djk h SER 121 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2djk h SER 121 CO 0.97 1.20 0.24 0.27 -0.87 0.00 0.00 176.83 178.64 2djk s ILE 122 N -2.29 0.00 -0.07 0.95 -4.36 -1.26 -5.08 121.20 109.10 2djk s ILE 122 Ca -0.23 -1.05 0.03 0.00 -0.26 0.00 0.00 60.65 59.14 2djk s ILE 122 Cb 0.04 -2.90 0.08 0.00 1.25 0.00 0.00 42.46 40.92 2djk s ILE 122 CO 0.46 0.00 0.83 1.17 0.24 0.00 0.00 174.94 177.64 2djk n LYS 123 N -0.54 0.26 -2.32 0.37 4.81 -1.26 -4.86 118.16 114.62 2djk n LYS 123 Ca -0.08 -0.72 -0.33 0.00 -0.87 0.00 0.00 58.31 56.31 2djk n LYS 123 Cb 0.60 0.44 -0.02 0.00 0.02 0.00 0.00 35.03 36.07 2djk n LYS 123 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2djk s SER 124 N -0.70 6.20 -0.41 3.14 0.15 -1.26 -5.05 113.70 115.77 2djk s SER 124 Ca 0.02 1.80 0.04 0.00 0.70 0.00 0.00 55.95 58.50 2djk s SER 124 Cb 0.09 -2.54 0.17 0.00 -1.71 0.00 0.00 66.02 62.03 2djk s SER 124 CO -0.03 -0.88 0.43 -0.70 1.20 0.00 0.00 173.24 173.27 2djk s GLU 125 N -3.74 0.80 0.50 5.44 -6.30 -1.26 -4.98 118.70 109.16 2djk s GLU 125 Ca 0.64 -1.30 -0.17 0.00 -2.50 0.00 0.00 54.97 51.65 2djk s GLU 125 Cb -0.14 -0.82 -0.08 0.00 0.00 0.00 0.00 34.13 33.09 2djk s GLU 125 CO 0.29 -1.28 0.97 -1.25 0.02 0.00 0.00 175.26 174.00 2djk s PRO 126 N 0.89 3.97 -0.43 4.30 0.04 -1.26 -5.06 135.00 137.45 2djk s PRO 126 Ca 0.24 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.27 2djk s PRO 126 Cb -0.07 -2.16 0.17 0.00 0.04 0.00 0.00 34.50 32.48 2djk s PRO 126 CO -0.08 -0.23 0.45 0.96 0.04 0.00 0.00 177.00 178.14 2djk s ILE 127 N -2.56 -0.13 1.16 0.56 -5.25 -1.26 -5.15 121.20 108.56 2djk s ILE 127 Ca 0.59 -1.92 -0.19 0.00 -0.99 0.00 0.00 60.65 58.13 2djk s ILE 127 Cb -0.10 -0.82 0.29 0.00 2.95 0.00 0.00 42.46 44.79 2djk s ILE 127 CO 0.29 -0.80 0.86 -0.81 -1.79 0.00 0.00 174.94 172.70 2djk n PRO 128 N 3.12 -3.59 -3.10 0.37 -0.04 -1.26 -4.99 135.00 125.51 2djk n PRO 128 Ca 0.23 -1.41 -0.39 0.00 -0.04 0.00 0.00 63.50 61.89 2djk n PRO 128 Cb 0.49 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 2djk n PRO 128 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2djk s GLU 129 N -5.00 4.41 0.04 0.54 2.12 -1.26 -5.07 118.70 114.47 2djk s GLU 129 Ca 0.60 0.93 0.04 0.00 0.36 0.00 0.00 54.97 56.90 2djk s GLU 129 Cb -0.08 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.98 2djk s GLU 129 CO 0.48 0.43 -0.12 0.15 -0.54 0.00 0.00 175.26 175.66 2djk s LYS 130 N -0.52 0.79 1.12 4.30 1.02 -1.26 -5.15 119.74 120.03 2djk s LYS 130 Ca 0.34 -0.71 -0.17 0.00 0.02 0.00 0.00 55.97 55.44 2djk s LYS 130 Cb -0.20 -0.74 0.25 0.00 -0.52 0.00 0.00 37.83 36.61 2djk s LYS 130 CO 0.21 0.18 1.15 -1.14 -0.92 0.00 0.00 175.35 174.83 2djk s GLN 131 N -1.17 -0.56 0.00 1.68 0.74 -1.26 -4.98 119.66 114.11 2djk s GLN 131 Ca -0.01 -0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.35 2djk s GLN 131 Cb -0.08 -1.67 0.00 0.00 1.10 0.00 0.00 33.01 32.36 2djk s GLN 131 CO 0.01 -3.28 0.00 -1.91 -0.55 0.00 0.00 175.29 169.56 2djk n GLU 132 N -4.45 0.00 0.00 1.67 2.13 -1.26 -5.31 120.64 113.41 2djk n GLU 132 Ca 0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2djk n GLU 132 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13