#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 0.50 -1.43 1.61 -0.02 -1.26 -4.96 135.00 129.44 2djk n PRO 2 Ca 0.00 0.21 -0.01 0.00 -2.02 0.00 0.00 63.50 61.69 2djk n PRO 2 Cb 0.00 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 2djk n PRO 2 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2djk n LEU 3 N -0.69 0.17 0.00 2.45 4.32 -1.26 -5.12 117.00 116.87 2djk n LEU 3 Ca 0.12 -2.10 0.00 0.00 -0.02 0.00 0.00 56.01 54.00 2djk n LEU 3 Cb 0.49 0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2djk n LEU 3 CO 0.50 0.96 0.00 0.61 -1.22 0.00 0.00 177.39 178.23 2djk n GLY 4 N 0.17 0.44 3.10 -0.72 0.00 -1.26 -5.09 105.19 101.83 2djk n GLY 4 Ca -0.08 -1.27 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 2djk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djk s SER 5 N -4.00 1.38 0.16 1.61 0.01 -1.26 -5.13 113.70 106.47 2djk s SER 5 Ca 0.00 -0.42 -0.30 0.00 1.31 0.00 0.00 55.95 56.54 2djk s SER 5 Cb 0.00 -0.08 -0.07 0.00 0.21 0.00 0.00 66.02 66.08 2djk s SER 5 CO 0.00 0.00 1.15 -2.16 0.41 0.00 0.00 173.24 172.65 2djk s PRO 6 N -1.04 4.53 0.00 12.44 0.04 -1.26 -4.89 135.00 144.82 2djk s PRO 6 Ca -0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2djk s PRO 6 Cb -0.07 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2djk s PRO 6 CO 0.01 -0.05 0.00 1.28 0.04 0.00 0.00 177.00 178.28 2djk n LEU 7 N 2.68 0.00 -4.74 -3.56 4.77 -1.26 -5.11 117.00 109.79 2djk n LEU 7 Ca 0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.65 2djk n LEU 7 Cb 0.46 0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 2djk n LEU 7 CO 0.55 -0.25 0.04 -0.63 -1.33 0.00 0.00 177.39 175.77 2djk s ILE 8 N -0.50 5.26 0.00 -0.08 1.01 -1.26 -4.69 121.20 120.94 2djk s ILE 8 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.32 2djk s ILE 8 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2djk s ILE 8 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2djk n GLY 9 N 3.23 -0.53 3.82 6.18 0.00 -0.77 -5.03 105.19 112.09 2djk n GLY 9 Ca -0.11 0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 3.74 -0.14 1.61 2.02 -1.26 0.02 118.70 124.69 2djk s GLU 10 Ca 0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 54.97 54.64 2djk s GLU 10 Cb 0.00 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.91 2djk s GLU 10 CO 0.00 0.59 0.54 0.42 0.02 0.00 0.00 175.26 176.83 2djk s ILE 11 N -0.49 5.13 0.00 -1.63 1.01 -0.89 -4.82 121.20 119.51 2djk s ILE 11 Ca 0.12 1.06 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2djk s ILE 11 Cb -0.12 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.48 2djk s ILE 11 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2djk n GLY 12 N 3.43 5.70 0.18 6.18 0.00 -1.26 -4.93 105.19 114.50 2djk n GLY 12 Ca -0.05 -1.99 0.06 0.00 0.00 0.00 0.00 46.02 44.04 2djk n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djk h PRO 13 N 0.00 0.00 -0.12 1.61 0.13 -2.02 -2.80 132.00 128.81 2djk h PRO 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2djk h PRO 13 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2djk h PRO 13 CO 0.00 0.38 0.00 -0.85 -0.23 0.00 0.00 178.00 177.30 2djk n GLU 14 N -3.43 2.28 -0.07 0.86 0.00 -1.26 -4.21 120.64 114.82 2djk n GLU 14 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 57.16 55.22 2djk n GLU 14 Cb 0.55 -1.47 -0.13 0.00 0.00 0.00 0.00 31.44 30.39 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2djk n THR 15 N 1.23 0.98 0.14 3.84 -2.24 -1.15 -4.12 114.28 112.95 2djk n THR 15 Ca 0.16 -0.65 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 2djk n THR 15 Cb 0.57 -0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.69 0.00 4.78 -1.99 -1.67 0.59 116.97 118.00 2djk h TYR 16 Ca -0.39 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.32 2djk h TYR 16 Cb 1.86 0.28 -0.00 0.00 2.00 0.00 0.00 36.73 40.86 2djk h TYR 16 CO 0.00 -0.37 -0.16 1.03 -0.00 0.00 0.00 178.16 178.66 2djk h SER 17 N -0.50 0.00 0.03 3.88 0.87 -1.81 -1.10 113.55 114.92 2djk h SER 17 Ca 0.01 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.34 2djk h SER 17 Cb 0.50 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2djk h SER 17 CO -0.11 0.16 -0.90 -0.78 -0.53 0.00 0.00 176.83 174.68 2djk h ASP 18 N 0.00 0.82 1.68 6.23 1.82 -1.52 0.41 116.42 125.86 2djk h ASP 18 Ca -0.00 -0.60 -0.06 0.00 -0.39 0.00 0.00 57.03 55.98 2djk h ASP 18 Cb 0.57 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 2djk h ASP 18 CO 0.02 1.39 -0.32 1.88 -1.61 0.00 0.00 179.24 180.60 2djk h TYR 19 N 0.41 0.00 0.06 0.28 0.05 -0.72 0.12 116.97 117.18 2djk h TYR 19 Ca -0.08 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.41 2djk h TYR 19 Cb 1.53 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.24 2djk h TYR 19 CO 0.08 0.30 -1.50 1.98 -1.05 0.00 0.00 178.16 177.97 2djk h MET 20 N 0.00 0.13 0.00 4.88 4.05 -1.15 -3.31 114.93 119.53 2djk h MET 20 Ca -0.01 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2djk h MET 20 Cb 1.23 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2djk h MET 20 CO 0.04 0.92 -0.57 0.45 0.23 0.00 0.00 176.91 177.98 2djk n SER 21 N -3.32 0.59 -0.11 1.39 2.88 0.14 -3.94 113.62 111.26 2djk n SER 21 Ca -0.14 -0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.37 2djk n SER 21 Cb 1.02 0.19 0.20 0.00 -0.75 0.00 0.00 64.21 64.88 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 2.70 1.23 0.00 -1.46 0.00 -1.05 -3.47 119.26 117.22 2djk h ALA 22 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2djk h ALA 22 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2djk h ALA 22 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2djk n GLY 23 N -0.86 0.87 3.06 0.00 0.00 -1.25 -5.09 105.19 101.92 2djk n GLY 23 Ca 0.04 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.59 0.27 -0.61 -4.36 -1.26 -4.81 121.20 109.01 2djk s ILE 24 Ca 0.00 -0.99 -0.28 0.00 -0.26 0.00 0.00 60.65 59.12 2djk s ILE 24 Cb 0.00 -0.63 -0.15 0.00 1.25 0.00 0.00 42.46 42.94 2djk s ILE 24 CO 0.00 -0.29 0.86 -2.65 0.24 0.00 0.00 174.94 173.09 2djk n PRO 25 N 1.65 0.95 -3.74 0.37 -0.02 -1.22 -4.41 135.00 128.58 2djk n PRO 25 Ca -0.21 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.24 2djk n PRO 25 Cb 0.55 -1.60 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 2djk n PRO 25 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2djk s LEU 26 N 1.20 3.84 -0.75 2.45 0.20 0.36 0.21 118.68 126.18 2djk s LEU 26 Ca 0.60 -0.02 -0.15 0.00 0.69 0.00 0.00 54.13 55.25 2djk s LEU 26 Cb -0.76 -2.03 0.18 0.00 -0.43 0.00 0.00 46.19 43.15 2djk s LEU 26 CO 0.59 0.03 0.73 0.00 -0.29 0.00 0.00 176.35 177.40 2djk s ALA 27 N 1.27 3.86 0.21 5.97 0.00 0.18 -0.43 121.76 132.82 2djk s ALA 27 Ca 0.06 -2.99 -0.28 0.00 0.00 0.00 0.00 51.96 48.75 2djk s ALA 27 Cb -0.14 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.38 2djk s ALA 27 CO 0.05 -2.28 0.86 0.71 0.00 0.00 0.00 175.76 175.10 2djk s TYR 28 N 0.95 3.94 -0.46 0.00 2.02 0.24 -0.31 117.35 123.73 2djk s TYR 28 Ca 0.15 1.78 0.03 0.00 -0.37 0.00 0.00 57.07 58.65 2djk s TYR 28 Cb -0.16 -2.87 0.15 0.00 -0.40 0.00 0.00 41.96 38.68 2djk s TYR 28 CO -0.05 0.48 0.30 0.42 -1.57 0.00 0.00 175.55 175.13 2djk s ILE 29 N -1.18 1.18 0.48 2.71 1.09 0.18 -0.11 121.20 125.54 2djk s ILE 29 Ca 0.39 -2.72 -0.21 0.00 -1.10 0.00 0.00 60.65 57.00 2djk s ILE 29 Cb -0.24 -1.81 -0.08 0.00 -1.06 0.00 0.00 42.46 39.27 2djk s ILE 29 CO 0.29 -1.01 1.08 -0.36 -0.10 0.00 0.00 174.94 174.84 2djk s PHE 30 N 0.10 2.96 -0.30 3.97 0.40 0.17 -0.18 117.98 125.11 2djk s PHE 30 Ca 0.23 1.58 -0.11 0.00 -0.60 0.00 0.00 56.93 58.02 2djk s PHE 30 Cb -0.14 -3.18 0.14 0.00 0.51 0.00 0.00 43.02 40.36 2djk s PHE 30 CO -0.07 -1.05 0.75 0.00 0.70 0.00 0.00 175.22 175.54 2djk s ALA 31 N -1.80 -2.25 -1.05 5.36 0.00 0.57 0.33 121.76 122.92 2djk s ALA 31 Ca 0.66 2.25 0.20 0.00 0.00 0.00 0.00 51.96 55.07 2djk s ALA 31 Cb -0.21 -1.87 0.89 0.00 0.00 0.00 0.00 23.12 21.93 2djk s ALA 31 CO 0.25 -0.94 1.65 0.39 0.00 0.00 0.00 175.76 177.11 2djk n GLU 32 N 5.31 0.04 -3.31 0.00 1.02 -1.26 -2.45 120.64 119.99 2djk n GLU 32 Ca -0.11 0.14 -0.46 0.00 -0.02 0.00 0.00 57.16 56.72 2djk n GLU 32 Cb 0.50 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 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 -2.95 5.21 -1.68 2.62 -4.23 -1.26 -4.80 115.64 108.56 2djk s THR 33 Ca 0.11 -1.51 0.12 0.00 -1.18 0.00 0.00 61.69 59.24 2djk s THR 33 Cb 0.13 -4.34 0.41 0.00 1.34 0.00 0.00 72.50 70.04 2djk s THR 33 CO 0.36 -0.87 1.31 0.00 -0.54 0.00 0.00 174.62 174.88 2djk n ALA 34 N 5.24 2.63 -0.09 3.99 0.00 -1.26 -3.41 120.51 127.61 2djk n ALA 34 Ca -0.14 -0.86 -0.16 0.00 0.00 0.00 0.00 53.44 52.28 2djk n ALA 34 Cb 0.40 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 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 0.70 0.42 -0.48 0.00 0.00 -1.26 -4.56 120.64 115.46 2djk n GLU 35 Ca 0.15 0.14 0.08 0.00 0.00 0.00 0.00 57.16 57.54 2djk n GLU 35 Cb 0.47 -1.25 0.30 0.00 0.00 0.00 0.00 31.44 30.95 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 -3.46 3.12 -0.63 5.31 0.28 -1.26 -4.55 120.64 119.46 2djk n GLU 36 Ca -0.34 -2.36 0.49 0.00 -0.16 0.00 0.00 57.16 54.79 2djk n GLU 36 Cb 0.80 -1.73 0.78 0.00 1.43 0.00 0.00 31.44 32.72 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 3.47 0.01 -0.97 3.44 2.43 -1.80 0.82 114.38 121.78 2djk h ARG 37 Ca 0.00 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2djk h ARG 37 Cb 1.17 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 2djk h ARG 37 CO 0.16 0.01 0.64 1.57 -1.51 0.00 0.00 179.97 180.83 2djk h LYS 38 N 0.01 1.23 0.55 0.20 2.10 -1.92 -0.00 116.57 118.74 2djk h LYS 38 Ca 0.90 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 59.45 2djk h LYS 38 Cb 3.44 -0.28 -0.01 0.00 -0.90 0.00 0.00 32.23 34.49 2djk h LYS 38 CO -0.12 0.81 -0.37 0.93 -2.00 0.00 0.00 179.45 178.70 2djk h GLU 39 N 1.27 -0.84 0.51 0.07 5.08 0.30 0.40 114.58 121.36 2djk h GLU 39 Ca 0.38 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.77 2djk h GLU 39 Cb -0.06 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2djk h GLU 39 CO -0.11 -0.56 -0.33 -0.07 -1.00 0.00 0.00 179.01 176.95 2djk h LEU 40 N -0.87 -0.82 -2.54 1.33 -0.00 -1.62 -2.21 115.31 108.57 2djk h LEU 40 Ca -0.07 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2djk h LEU 40 Cb 0.71 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2djk h LEU 40 CO 0.05 -0.51 0.10 0.28 -0.00 0.00 0.00 178.44 178.37 2djk h SER 41 N -0.80 0.00 0.44 -0.43 0.02 -1.01 -1.02 113.55 110.74 2djk h SER 41 Ca -0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2djk h SER 41 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2djk h SER 41 CO 0.05 0.00 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.75 2djk h ASP 42 N 0.00 -0.50 -0.80 3.07 1.82 0.41 0.51 116.42 120.94 2djk h ASP 42 Ca 0.02 0.02 0.23 0.00 -0.39 0.00 0.00 57.03 56.91 2djk h ASP 42 Cb 0.23 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.34 2djk h ASP 42 CO -0.00 -0.13 0.60 0.11 -1.61 0.00 0.00 179.24 178.20 2djk h LYS 43 N -1.03 0.00 0.00 0.28 6.56 -1.09 1.89 116.57 123.18 2djk h LYS 43 Ca -0.06 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 2djk h LYS 43 Cb 0.45 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2djk h LYS 43 CO 0.10 0.00 -0.45 -0.07 -2.06 0.00 0.00 179.45 176.97 2djk h LEU 44 N 0.00 0.00 -0.67 2.94 3.38 -1.02 -3.01 115.31 116.93 2djk h LEU 44 Ca 0.38 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.48 2djk h LEU 44 Cb 1.57 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.23 2djk h LEU 44 CO -0.00 0.45 0.19 0.50 0.09 0.00 0.00 178.44 179.67 2djk h LYS 45 N 0.00 0.31 0.20 1.13 3.64 0.82 -0.56 116.57 122.11 2djk h LYS 45 Ca -0.00 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.03 2djk h LYS 45 Cb 1.25 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2djk h LYS 45 CO 0.06 0.21 -1.55 -1.00 -2.27 0.00 0.00 179.45 174.90 2djk h PRO 46 N 0.32 0.42 -0.11 1.90 0.13 -1.62 -1.13 132.00 131.92 2djk h PRO 46 Ca 0.36 -0.72 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 2djk h PRO 46 Cb 0.55 0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 2djk h PRO 46 CO -0.42 1.33 0.46 0.82 -0.23 0.00 0.00 178.00 179.96 2djk h ILE 47 N 0.12 0.07 0.00 -3.56 2.04 -1.20 0.38 117.51 115.36 2djk h ILE 47 Ca -0.27 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 2djk h ILE 47 Cb 2.11 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2djk h ILE 47 CO 0.22 0.00 -1.44 0.00 0.00 0.00 0.00 178.15 176.93 2djk n ALA 48 N -1.94 2.02 0.32 1.87 0.00 -0.30 -4.22 120.51 118.26 2djk n ALA 48 Ca 0.01 -0.36 0.21 0.00 0.00 0.00 0.00 53.44 53.30 2djk n ALA 48 Cb 0.54 -0.06 1.09 0.00 0.00 0.00 0.00 19.45 21.01 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 0.38 2.08 114.58 121.26 2djk h GLU 49 Ca -0.12 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.09 2djk h GLU 49 Cb 1.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 2djk h GLU 49 CO 0.01 0.00 -1.66 0.00 -2.18 0.00 0.00 179.01 175.18 2djk n ALA 50 N -2.05 1.74 -2.24 2.92 0.00 -0.73 -4.24 120.51 115.92 2djk n ALA 50 Ca -0.02 -0.72 -0.19 0.00 0.00 0.00 0.00 53.44 52.51 2djk n ALA 50 Cb 0.10 -0.82 0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.91 3.17 0.08 0.00 10.64 0.48 -4.80 117.38 124.04 2djk n GLN 51 Ca -0.15 -4.04 -0.04 0.00 -1.83 0.00 0.00 57.00 50.94 2djk n GLN 51 Cb 0.95 -2.12 0.15 0.00 -0.86 0.00 0.00 30.24 28.36 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 2.32 0.25 -0.45 2.61 0.11 0.30 -0.16 114.38 119.37 2djk h ARG 52 Ca 0.25 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.18 2djk h ARG 52 Cb 1.43 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.52 2djk h ARG 52 CO 0.64 0.72 0.00 0.41 0.10 0.00 0.00 179.97 181.85 2djk n GLY 53 N 0.10 2.91 0.00 0.08 0.00 -1.26 -4.50 105.19 102.52 2djk n GLY 53 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2djk n GLY 53 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2djk n VAL 54 N 0.65 0.00 -4.35 1.61 3.14 -1.17 -5.06 118.33 113.14 2djk n VAL 54 Ca 0.17 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.37 2djk n VAL 54 Cb 0.60 -0.48 -0.15 0.00 -1.06 0.00 0.00 33.84 32.75 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 -1.65 0.71 -0.71 1.55 1.01 -0.08 -3.38 121.20 118.64 2djk s ILE 55 Ca 0.00 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.02 2djk s ILE 55 Cb 0.00 -0.60 0.10 0.00 0.01 0.00 0.00 42.46 41.97 2djk s ILE 55 CO 0.00 0.17 0.92 0.20 0.00 0.00 0.00 174.94 176.23 2djk s ASN 56 N -0.29 6.31 -0.36 3.58 0.01 0.13 -4.49 114.94 119.83 2djk s ASN 56 Ca 0.03 -1.45 -0.29 0.00 -0.71 0.00 0.00 52.86 50.44 2djk s ASN 56 Cb -0.04 -2.37 0.01 0.00 0.41 0.00 0.00 41.25 39.27 2djk s ASN 56 CO -0.00 -1.22 1.21 -0.36 -1.51 0.00 0.00 177.10 175.22 2djk s PHE 57 N 3.16 2.81 -0.05 2.20 0.40 -1.26 0.48 117.98 125.72 2djk s PHE 57 Ca 0.21 0.90 0.00 0.00 -0.60 0.00 0.00 56.93 57.44 2djk s PHE 57 Cb -0.16 -4.02 0.03 0.00 0.51 0.00 0.00 43.02 39.37 2djk s PHE 57 CO 0.03 -1.38 -0.01 0.20 0.70 0.00 0.00 175.22 174.76 2djk s GLY 58 N 2.54 0.38 0.28 4.36 0.00 0.58 -1.85 107.32 113.61 2djk s GLY 58 Ca 0.52 -0.00 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 2djk s GLY 58 CO 0.24 0.71 0.72 -0.51 0.00 0.00 0.00 173.10 174.26 2djk s THR 59 N 1.27 4.66 0.13 0.90 -4.23 0.10 -0.65 115.64 117.83 2djk s THR 59 Ca -0.06 1.04 -0.07 0.00 -1.18 0.00 0.00 61.69 61.42 2djk s THR 59 Cb -0.13 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 2djk s THR 59 CO -0.02 -0.04 0.20 -0.51 -0.54 0.00 0.00 174.62 173.71 2djk s ILE 60 N -1.81 0.10 -0.25 2.99 2.07 0.75 -2.11 121.20 122.94 2djk s ILE 60 Ca 0.50 -1.44 -0.23 0.00 -1.41 0.00 0.00 60.65 58.07 2djk s ILE 60 Cb -0.13 -1.71 -0.01 0.00 0.13 0.00 0.00 42.46 40.74 2djk s ILE 60 CO 0.19 -0.47 0.74 -0.62 -1.91 0.00 0.00 174.94 172.87 2djk s ASP 61 N -2.95 6.71 0.00 4.50 2.15 -1.26 -0.31 116.67 125.51 2djk s ASP 61 Ca 0.14 0.87 0.25 0.00 0.43 0.00 0.00 52.55 54.24 2djk s ASP 61 Cb 0.05 -2.39 1.29 0.00 -0.30 0.00 0.00 42.92 41.57 2djk s ASP 61 CO -0.03 -0.46 1.85 0.00 -0.17 0.00 0.00 175.17 176.36 2djk n ALA 62 N 5.90 2.61 -0.10 3.66 0.00 -1.03 -0.62 120.51 130.94 2djk n ALA 62 Ca 0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.09 2djk n ALA 62 Cb 0.48 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.50 0.90 -0.04 0.00 3.00 -1.26 -3.65 118.16 116.62 2djk n LYS 63 Ca 0.18 0.03 -0.04 0.00 -0.00 0.00 0.00 58.31 58.49 2djk n LYS 63 Cb 0.18 -1.47 -0.05 0.00 0.00 0.00 0.00 35.03 33.69 2djk n LYS 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2djk n ALA 64 N -2.83 1.83 0.36 3.14 0.00 -1.24 -4.64 120.51 117.14 2djk n ALA 64 Ca -0.33 -0.43 0.10 0.00 0.00 0.00 0.00 53.44 52.78 2djk n ALA 64 Cb 1.04 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.50 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 -2.35 0.00 -0.20 0.00 -0.00 0.11 -4.61 117.46 110.41 2djk n PHE 65 Ca -0.12 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.52 2djk n PHE 65 Cb 0.71 -0.28 0.34 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 1.39 -0.43 0.39 7.13 0.00 0.21 0.27 105.19 114.15 2djk n GLY 66 Ca -0.01 0.44 0.21 0.00 0.00 0.00 0.00 46.02 46.66 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 1.03 2.15 0.00 4.61 0.00 -1.86 1.05 119.26 126.25 2djk h ALA 67 Ca 0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2djk h ALA 67 Cb 1.33 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2djk h ALA 67 CO -0.38 -0.69 -0.36 0.72 0.00 0.00 0.00 179.25 178.55 2djk n HIS 68 N -3.72 0.35 -0.10 0.00 -0.00 0.75 -3.09 115.22 109.42 2djk n HIS 68 Ca 0.08 0.10 -0.13 0.00 -0.00 0.00 0.00 57.72 57.77 2djk n HIS 68 Cb 0.65 -0.56 -0.04 0.00 -0.00 0.00 0.00 29.99 30.04 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 2.75 0.44 -0.04 -1.41 0.00 0.11 -3.26 119.26 117.86 2djk h ALA 69 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2djk h ALA 69 Cb 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2djk h ALA 69 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2djk n GLY 70 N 0.17 0.65 0.03 0.00 0.00 -1.22 -3.90 105.19 100.92 2djk n GLY 70 Ca -0.04 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.42 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 1.15 0.12 -0.00 1.61 5.03 -1.18 -0.14 115.26 121.84 2djk n ASN 71 Ca 0.12 0.56 0.03 0.00 0.87 0.00 0.00 54.58 56.16 2djk n ASN 71 Cb 0.51 -0.57 -0.05 0.00 -1.02 0.00 0.00 39.78 38.65 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 -1.66 0.13 0.00 3.41 -0.00 -1.26 -5.02 117.00 112.59 2djk n LEU 72 Ca -0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 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 0.02 0.03 0.00 -3.20 -0.00 0.00 0.00 177.39 174.24 2djk n ASN 73 N -1.51 0.00 -3.91 1.45 4.05 0.80 -4.72 115.26 111.43 2djk n ASN 73 Ca -0.00 0.00 -0.24 0.00 0.45 0.00 0.00 54.58 54.78 2djk n ASN 73 Cb 0.15 0.05 0.04 0.00 1.23 0.00 0.00 39.78 41.25 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 -1.51 -2.52 -0.07 1.20 4.77 -1.23 -4.82 117.00 112.82 2djk n LEU 74 Ca 0.00 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2djk n LEU 74 Cb 0.00 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 2djk n LEU 74 CO 0.00 -2.42 0.38 2.29 -1.33 0.00 0.00 177.39 176.31 2djk n LYS 75 N 1.76 0.89 -2.74 3.23 2.85 -1.26 -4.03 118.16 118.86 2djk n LYS 75 Ca -0.01 -1.02 -0.21 0.00 -1.05 0.00 0.00 58.31 56.02 2djk n LYS 75 Cb 0.48 -1.03 0.01 0.00 -0.65 0.00 0.00 35.03 33.84 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 -0.12 -1.39 0.05 0.58 -2.24 -1.26 -4.88 114.28 105.03 2djk n THR 76 Ca 0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2djk n THR 76 Cb 0.14 -2.98 -0.13 0.00 -2.10 0.00 0.00 70.33 65.26 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 -0.67 0.11 -5.18 3.42 2.03 -1.96 -3.48 116.42 110.69 2djk h ASP 77 Ca -0.49 -0.13 -0.09 0.00 -0.73 0.00 0.00 57.03 55.59 2djk h ASP 77 Cb 1.35 -0.04 -0.13 0.00 -0.83 0.00 0.00 39.33 39.68 2djk h ASP 77 CO 0.55 1.11 -0.33 -0.75 -1.03 0.00 0.00 179.24 178.78 2djk s LYS 78 N -2.67 0.95 0.27 4.15 2.20 -1.26 -5.18 119.74 118.21 2djk s LYS 78 Ca -0.02 -1.01 -0.18 0.00 -0.36 0.00 0.00 55.97 54.40 2djk s LYS 78 Cb 0.09 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.78 2djk s LYS 78 CO 0.83 -0.33 0.64 -0.06 -0.36 0.00 0.00 175.35 176.08 2djk s PHE 79 N -3.89 -0.01 0.91 4.03 0.40 -1.26 -4.50 117.98 113.66 2djk s PHE 79 Ca 0.09 -0.43 -0.10 0.00 -0.60 0.00 0.00 56.93 55.89 2djk s PHE 79 Cb 0.04 0.55 0.14 0.00 0.51 0.00 0.00 43.02 44.26 2djk s PHE 79 CO -0.08 -1.17 1.15 -1.25 0.70 0.00 0.00 175.22 174.57 2djk s PRO 80 N -3.92 1.06 0.26 0.24 0.04 -1.26 -4.79 135.00 126.64 2djk s PRO 80 Ca 0.15 1.54 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2djk s PRO 80 Cb -0.04 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2djk s PRO 80 CO 0.08 -2.60 -0.02 0.00 0.04 0.00 0.00 177.00 174.49 2djk s ALA 81 N -2.66 2.11 -0.03 8.56 0.00 0.15 -4.88 121.76 125.01 2djk s ALA 81 Ca 0.67 -1.86 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 2djk s ALA 81 Cb -0.23 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.28 2djk s ALA 81 CO 0.58 -0.17 0.02 0.12 0.00 0.00 0.00 175.76 176.31 2djk s PHE 82 N -3.22 0.13 0.07 0.00 2.19 -1.26 0.42 117.98 116.32 2djk s PHE 82 Ca 0.29 0.10 0.10 0.00 0.33 0.00 0.00 56.93 57.75 2djk s PHE 82 Cb 0.05 -0.34 -0.03 0.00 -1.31 0.00 0.00 43.02 41.39 2djk s PHE 82 CO 0.11 -0.12 -0.26 0.00 1.83 0.00 0.00 175.22 176.77 2djk s ALA 83 N 1.23 2.25 -0.55 11.12 0.00 0.84 0.15 121.76 136.80 2djk s ALA 83 Ca -0.07 -1.31 0.04 0.00 0.00 0.00 0.00 51.96 50.62 2djk s ALA 83 Cb -0.13 -0.44 0.14 0.00 0.00 0.00 0.00 23.12 22.69 2djk s ALA 83 CO -0.03 0.53 0.32 0.42 0.00 0.00 0.00 175.76 177.00 2djk s ILE 84 N -0.88 2.28 -0.11 0.00 1.01 -1.20 0.80 121.20 123.11 2djk s ILE 84 Ca 0.12 -3.38 -0.27 0.00 0.00 0.00 0.00 60.65 57.13 2djk s ILE 84 Cb -0.10 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 2djk s ILE 84 CO 0.03 -0.90 0.88 -1.58 0.00 0.00 0.00 174.94 173.37 2djk s GLN 85 N -0.45 4.39 -0.30 2.79 0.74 0.43 -0.40 119.66 126.86 2djk s GLN 85 Ca 0.20 1.16 -0.16 0.00 0.05 0.00 0.00 55.36 56.61 2djk s GLN 85 Cb -0.18 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 2djk s GLN 85 CO -0.05 -0.23 0.41 -1.21 -0.55 0.00 0.00 175.29 173.66 2djk s GLU 86 N 1.76 3.82 0.00 1.67 8.01 0.32 0.13 118.70 134.41 2djk s GLU 86 Ca 0.43 -0.09 0.18 0.00 0.01 0.00 0.00 54.97 55.49 2djk s GLU 86 Cb -0.18 -3.73 0.85 0.00 -4.31 0.00 0.00 34.13 26.76 2djk s GLU 86 CO 0.17 -0.43 1.57 1.33 0.01 0.00 0.00 175.26 177.92 2djk n VAL 87 N 5.22 0.11 -0.11 2.63 0.24 -1.26 0.09 118.33 125.25 2djk n VAL 87 Ca -0.07 -0.17 -0.17 0.00 -2.04 0.00 0.00 64.34 61.89 2djk n VAL 87 Cb 0.50 0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.80 2djk n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2djk n ALA 88 N -0.24 1.53 0.19 2.33 0.00 -1.26 -4.68 120.51 118.39 2djk n ALA 88 Ca 0.14 -0.92 0.04 0.00 0.00 0.00 0.00 53.44 52.70 2djk n ALA 88 Cb 0.18 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.28 2.05 -2.19 0.00 3.00 -1.25 -5.00 118.16 111.49 2djk n LYS 89 Ca -0.39 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.31 57.85 2djk n LYS 89 Cb 0.89 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 34.85 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2djk n ASN 90 N -1.53 -1.73 -4.97 3.14 2.85 0.11 -5.05 115.26 108.08 2djk n ASN 90 Ca -0.00 -0.02 -0.21 0.00 -0.11 0.00 0.00 54.58 54.24 2djk n ASN 90 Cb 0.19 -0.93 0.01 0.00 1.24 0.00 0.00 39.78 40.30 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 -4.38 2.91 -0.31 1.20 2.00 -1.13 -4.82 119.66 115.14 2djk s GLN 91 Ca 0.02 -0.73 -0.02 0.00 -2.00 0.00 0.00 55.36 52.63 2djk s GLN 91 Cb -0.01 -2.61 0.12 0.00 0.80 0.00 0.00 33.01 31.32 2djk s GLN 91 CO 0.02 -0.33 0.21 0.15 -0.50 0.00 0.00 175.29 174.84 2djk s LYS 92 N -4.52 0.33 -1.05 1.67 -0.14 -1.25 0.12 119.74 114.91 2djk s LYS 92 Ca 0.51 -0.62 -0.05 0.00 -1.36 0.00 0.00 55.97 54.45 2djk s LYS 92 Cb -0.10 -1.01 0.28 0.00 -1.68 0.00 0.00 37.83 35.32 2djk s LYS 92 CO 0.36 -1.08 1.19 1.19 -0.76 0.00 0.00 175.35 176.26 2djk n PHE 93 N 4.94 3.88 -1.46 3.18 3.72 0.47 -4.76 117.46 127.43 2djk n PHE 93 Ca 0.00 -3.44 -0.18 0.00 -0.05 0.00 0.00 57.45 53.77 2djk n PHE 93 Cb 0.42 -1.39 0.13 0.00 -0.94 0.00 0.00 39.48 37.71 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 1.99 -1.06 -3.58 -1.08 -0.04 -1.26 -3.20 135.00 126.76 2djk n PRO 94 Ca 0.25 -1.26 -0.21 0.00 -0.04 0.00 0.00 63.50 62.24 2djk n PRO 94 Cb 0.37 -0.88 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 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 -2.73 2.71 0.65 0.54 5.36 0.38 -4.86 117.98 120.03 2djk s PHE 95 Ca 0.47 -0.49 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 2djk s PHE 95 Cb -0.02 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 2djk s PHE 95 CO 0.33 -0.11 1.04 -0.51 -1.46 0.00 0.00 175.22 174.51 2djk s ASP 96 N -4.12 5.94 -0.21 6.13 1.11 -1.26 -4.59 116.67 119.66 2djk s ASP 96 Ca 0.48 1.48 0.13 0.00 0.18 0.00 0.00 52.55 54.82 2djk s ASP 96 Cb -0.03 -2.48 0.42 0.00 1.07 0.00 0.00 42.92 41.91 2djk s ASP 96 CO 0.28 -1.07 1.28 0.00 1.18 0.00 0.00 175.17 176.84 2djk n GLN 97 N -2.88 1.70 -0.70 8.23 3.00 -1.26 -4.55 117.38 120.91 2djk n GLN 97 Ca 0.07 -3.08 -0.02 0.00 -0.01 0.00 0.00 57.00 53.96 2djk n GLN 97 Cb 0.54 -1.66 -0.02 0.00 0.00 0.00 0.00 30.24 29.09 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 -1.14 0.00 0.00 -1.09 0.28 -1.26 -4.72 120.64 112.71 2djk n GLU 98 Ca 0.22 -0.48 -0.01 0.00 -0.16 0.00 0.00 57.16 56.73 2djk n GLU 98 Cb 0.78 0.12 -0.00 0.00 1.43 0.00 0.00 31.44 33.77 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 0.02 0.03 0.00 3.44 4.81 -1.26 -5.13 118.16 120.07 2djk n LYS 99 Ca -0.09 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2djk n LYS 99 Cb 0.61 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.37 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 -2.75 0.00 -3.34 1.64 2.13 -1.26 -5.10 120.64 111.96 2djk n GLU 100 Ca -0.01 0.00 -0.47 0.00 0.66 0.00 0.00 57.16 57.34 2djk n GLU 100 Cb 0.03 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.72 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 5.62 0.00 6.31 1.01 -1.26 -4.83 121.20 128.04 2djk s ILE 101 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 60.65 58.08 2djk s ILE 101 Cb 0.00 -4.46 0.00 0.00 0.01 0.00 0.00 42.46 38.01 2djk s ILE 101 CO 0.00 -1.04 0.00 0.35 0.00 0.00 0.00 174.94 174.25 2djk n THR 102 N 3.85 0.00 0.00 2.92 -2.24 -1.26 -4.89 114.28 112.66 2djk n THR 102 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2djk n THR 102 Cb 0.46 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.54 4.78 7.35 -1.26 -3.17 117.46 124.62 2djk n PHE 103 Ca 0.00 0.00 0.44 0.00 -0.76 0.00 0.00 57.45 57.13 2djk n PHE 103 Cb 0.00 -0.16 0.71 0.00 0.35 0.00 0.00 39.48 40.38 2djk n PHE 103 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2djk n GLU 104 N -1.79 -0.02 0.04 -4.13 0.00 -1.26 0.12 120.64 113.59 2djk n GLU 104 Ca 0.00 1.18 -0.16 0.00 0.00 0.00 0.00 57.16 58.18 2djk n GLU 104 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 31.44 28.94 2djk n GLU 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2djk h ALA 105 N 1.38 0.31 0.03 4.31 0.00 -1.90 -1.73 119.26 121.65 2djk h ALA 105 Ca 0.89 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 2djk h ALA 105 Cb 3.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.86 2djk h ALA 105 CO -0.32 0.73 -1.22 0.82 0.00 0.00 0.00 179.25 179.27 2djk h ILE 106 N 0.37 1.00 -0.62 0.00 1.08 0.10 -2.18 117.51 117.27 2djk h ILE 106 Ca -0.08 -2.25 0.09 0.00 -0.39 0.00 0.00 64.86 62.22 2djk h ILE 106 Cb 1.54 2.46 -0.07 0.00 -3.07 0.00 0.00 36.82 37.69 2djk h ILE 106 CO 0.17 0.47 0.26 0.07 -0.69 0.00 0.00 178.15 178.43 2djk h LYS 107 N -0.77 0.44 -0.08 2.37 5.09 0.69 0.34 116.57 124.65 2djk h LYS 107 Ca -0.31 -0.03 -0.03 0.00 0.09 0.00 0.00 60.65 60.37 2djk h LYS 107 Cb 1.42 -0.10 -0.00 0.00 0.10 0.00 0.00 32.23 33.65 2djk h LYS 107 CO -0.11 0.29 -0.08 0.00 -2.09 0.00 0.00 179.45 177.46 2djk h ALA 108 N 1.40 0.11 0.07 0.07 0.00 -1.44 -1.58 119.26 117.90 2djk h ALA 108 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2djk h ALA 108 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2djk h ALA 108 CO -0.28 -0.07 -0.15 0.35 0.00 0.00 0.00 179.25 179.10 2djk h PHE 109 N -0.24 -0.44 -1.00 0.00 3.04 -0.71 0.28 116.94 117.87 2djk h PHE 109 Ca 0.01 0.01 0.26 0.00 3.98 0.00 0.00 57.97 62.23 2djk h PHE 109 Cb 0.59 0.18 -0.13 0.00 2.56 0.00 0.00 35.95 39.15 2djk h PHE 109 CO 0.09 -0.18 0.58 -0.39 -2.02 0.00 0.00 178.31 176.39 2djk h VAL 110 N -0.25 0.48 -0.81 1.41 -1.51 -0.46 0.74 116.25 115.85 2djk h VAL 110 Ca -0.01 -0.18 0.06 0.00 -1.23 0.00 0.00 66.70 65.35 2djk h VAL 110 Cb 0.24 -0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.25 2djk h VAL 110 CO -0.06 0.09 0.49 -0.78 -1.23 0.00 0.00 177.57 176.08 2djk h ASP 111 N 0.52 0.76 1.07 4.19 3.58 -0.21 0.38 116.42 126.70 2djk h ASP 111 Ca 0.66 0.02 0.00 0.00 0.42 0.00 0.00 57.03 58.13 2djk h ASP 111 Cb 1.31 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2djk h ASP 111 CO -0.51 0.48 0.00 -0.90 -2.88 0.00 0.00 179.24 175.44 2djk n ASP 112 N -4.67 0.72 -0.05 2.28 5.75 0.24 -1.31 116.55 119.52 2djk n ASP 112 Ca 0.11 0.62 -0.00 0.00 -0.01 0.00 0.00 54.79 55.51 2djk n ASP 112 Cb 0.18 -0.79 -0.00 0.00 -1.03 0.00 0.00 41.12 39.48 2djk n ASP 112 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2djk h PHE 113 N 0.00 0.00 -0.50 2.11 3.57 0.13 1.29 116.94 123.54 2djk h PHE 113 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 2djk h PHE 113 Cb 0.53 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.22 2djk h PHE 113 CO 0.00 0.00 0.20 0.28 -2.23 0.00 0.00 178.31 176.56 2djk h VAL 114 N -0.87 0.86 -0.97 1.41 2.07 -0.47 -1.40 116.25 116.89 2djk h VAL 114 Ca 0.00 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.53 2djk h VAL 114 Cb 0.05 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 2djk h VAL 114 CO 0.00 0.07 0.61 0.00 0.02 0.00 0.00 177.57 178.27 2djk h ALA 115 N 1.32 1.67 0.00 1.67 0.00 -1.37 -3.45 119.26 119.10 2djk h ALA 115 Ca 0.23 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2djk h ALA 115 Cb 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2djk h ALA 115 CO -0.22 0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2djk n GLY 116 N -1.38 1.97 0.11 0.00 0.00 -0.53 -5.04 105.19 100.33 2djk n GLY 116 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.05 0.64 -3.04 1.61 4.81 0.41 -4.98 118.16 117.57 2djk n LYS 117 Ca 0.00 0.12 -0.32 0.00 -0.87 0.00 0.00 58.31 57.24 2djk n LYS 117 Cb 0.00 -1.47 -0.05 0.00 0.02 0.00 0.00 35.03 33.53 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 -2.47 4.71 0.27 3.15 1.01 0.57 -4.94 121.20 123.51 2djk s ILE 118 Ca -0.29 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 2djk s ILE 118 Cb 0.08 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 2djk s ILE 118 CO 0.57 -0.30 0.34 -1.61 0.00 0.00 0.00 174.94 173.94 2djk s GLU 119 N -3.27 1.58 0.44 2.79 2.02 -1.26 -4.85 118.70 116.15 2djk s GLU 119 Ca 0.53 -1.64 -0.23 0.00 0.02 0.00 0.00 54.97 53.66 2djk s GLU 119 Cb -0.10 0.38 -0.10 0.00 0.10 0.00 0.00 34.13 34.40 2djk s GLU 119 CO 0.22 -0.61 0.86 -2.30 0.02 0.00 0.00 175.26 173.44 2djk n PRO 120 N -0.44 1.04 -0.07 0.39 -0.02 -1.26 -4.93 135.00 129.72 2djk n PRO 120 Ca 0.02 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2djk n PRO 120 Cb 0.63 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.17 2djk n PRO 120 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2djk n SER 121 N 0.60 2.25 0.00 2.55 2.88 -1.26 -4.87 113.62 115.77 2djk n SER 121 Ca 0.11 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2djk n SER 121 Cb 0.40 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 2djk n SER 121 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2djk n ILE 122 N -3.15 0.00 -0.59 2.46 -5.35 -1.26 -5.08 119.36 106.38 2djk n ILE 122 Ca -0.25 0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.06 2djk n ILE 122 Cb 0.73 -0.72 0.12 0.00 -1.74 0.00 0.00 39.64 38.03 2djk n ILE 122 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2djk n LYS 123 N -1.73 -1.80 -1.64 6.28 3.00 -1.26 -4.80 118.16 116.22 2djk n LYS 123 Ca 0.00 -0.53 -0.01 0.00 -0.00 0.00 0.00 58.31 57.77 2djk n LYS 123 Cb 0.38 -1.39 -0.01 0.00 0.00 0.00 0.00 35.03 34.01 2djk n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2djk n SER 124 N -0.44 -1.84 -3.27 3.14 2.88 -1.26 -5.04 113.62 107.78 2djk n SER 124 Ca 0.04 0.22 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 2djk n SER 124 Cb 0.34 -1.69 -0.06 0.00 -0.75 0.00 0.00 64.21 62.06 2djk n SER 124 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2djk s GLU 125 N -1.02 0.75 0.67 -1.46 2.12 -1.26 -5.15 118.70 113.35 2djk s GLU 125 Ca -0.04 -0.94 -0.11 0.00 0.36 0.00 0.00 54.97 54.23 2djk s GLU 125 Cb 0.00 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.79 2djk s GLU 125 CO 0.12 -1.23 1.05 -1.25 -0.54 0.00 0.00 175.26 173.41 2djk s PRO 126 N 1.26 3.16 -0.65 4.30 0.04 -1.26 -5.04 135.00 136.82 2djk s PRO 126 Ca 0.20 0.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 2djk s PRO 126 Cb -0.10 -2.03 0.16 0.00 0.04 0.00 0.00 34.50 32.58 2djk s PRO 126 CO -0.05 -0.89 0.46 0.42 0.04 0.00 0.00 177.00 176.97 2djk s ILE 127 N -3.15 3.53 0.00 0.56 -1.09 -1.26 -5.09 121.20 114.69 2djk s ILE 127 Ca 0.57 -3.27 0.00 0.00 -2.23 0.00 0.00 60.65 55.72 2djk s ILE 127 Cb -0.12 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.45 2djk s ILE 127 CO 0.54 -0.90 0.00 -2.65 -1.23 0.00 0.00 174.94 170.70 2djk n PRO 128 N 3.13 1.63 0.00 2.79 -0.02 -1.26 -4.12 135.00 137.15 2djk n PRO 128 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2djk n PRO 128 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.84 2djk n PRO 128 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2djk n GLU 129 N 0.00 0.00 -0.13 -0.52 2.13 -1.26 -3.80 120.64 117.05 2djk n GLU 129 Ca 0.00 0.00 0.27 0.00 0.66 0.00 0.00 57.16 58.09 2djk n GLU 129 Cb 0.00 0.00 0.63 0.00 0.27 0.00 0.00 31.44 32.34 2djk n GLU 129 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 2djk h LYS 130 N 0.00 0.00 -6.72 5.31 2.10 -2.06 -3.40 116.57 111.81 2djk h LYS 130 Ca 0.00 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.17 2djk h LYS 130 Cb 0.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.35 2djk h LYS 130 CO 0.00 0.00 -0.05 -0.65 -2.00 0.00 0.00 179.45 176.75 2djk s GLN 131 N -4.59 3.49 0.55 0.07 -0.21 -1.25 -4.96 119.66 112.76 2djk s GLN 131 Ca -0.04 -0.10 0.00 0.00 0.02 0.00 0.00 55.36 55.24 2djk s GLN 131 Cb 0.16 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.65 2djk s GLN 131 CO 0.57 -0.03 0.00 -1.91 -2.12 0.00 0.00 175.29 171.79 2djk n GLU 132 N -2.02 -3.16 -0.50 2.91 4.07 -1.26 -4.46 120.64 116.22 2djk n GLU 132 Ca -0.02 2.49 0.00 0.00 -0.06 0.00 0.00 57.16 59.57 2djk n GLU 132 Cb 0.56 -3.76 0.00 0.00 -0.06 0.00 0.00 31.44 28.18 2djk n GLU 132 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48