#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 1.14 -4.08 1.61 -0.02 -1.26 -5.00 135.00 127.39 2djk n PRO 2 Ca 0.00 0.41 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 2djk n PRO 2 Cb 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 2djk n PRO 2 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2djk s LEU 3 N -0.31 3.67 0.00 2.45 2.96 -1.26 -5.05 118.68 121.14 2djk s LEU 3 Ca 0.65 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2djk s LEU 3 Cb -0.54 -2.37 0.00 0.00 0.50 0.00 0.00 46.19 43.78 2djk s LEU 3 CO 0.56 0.16 0.00 0.61 -1.32 0.00 0.00 176.35 176.36 2djk n GLY 4 N 0.43 3.37 2.67 7.98 0.00 -1.26 -5.13 105.19 113.25 2djk n GLY 4 Ca -0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 -1.29 -3.99 1.61 7.64 -1.26 -5.17 113.62 111.16 2djk n SER 5 Ca 0.00 -1.86 0.00 0.00 1.01 0.00 0.00 58.87 58.02 2djk n SER 5 Cb 0.00 0.96 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 2djk n SER 5 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2djk n PRO 6 N 0.98 1.33 0.16 1.43 -0.02 -1.26 -4.78 135.00 132.84 2djk n PRO 6 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.59 2djk n PRO 6 Cb 0.73 0.00 0.67 0.00 -0.02 0.00 0.00 33.50 34.89 2djk n PRO 6 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2djk h LEU 7 N 0.00 0.00 -9.90 2.45 3.38 -1.95 -3.43 115.31 105.86 2djk h LEU 7 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2djk h LEU 7 Cb 0.00 0.00 0.15 0.00 0.09 0.00 0.00 40.66 40.90 2djk h LEU 7 CO 0.00 0.00 0.33 -0.38 0.09 0.00 0.00 178.44 178.48 2djk n ILE 8 N -4.43 3.66 -1.01 1.22 -0.00 -1.26 -4.84 119.36 112.70 2djk n ILE 8 Ca 0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 62.75 62.27 2djk n ILE 8 Cb 0.29 -1.36 0.00 0.00 -0.00 0.00 0.00 39.64 38.56 2djk n ILE 8 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2djk n GLY 9 N 1.05 -0.72 3.74 7.39 0.00 -0.85 -4.98 105.19 110.82 2djk n GLY 9 Ca 0.12 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.08 4.22 0.16 1.61 2.02 -1.26 -0.09 118.70 125.28 2djk s GLU 10 Ca 0.00 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 54.99 2djk s GLU 10 Cb 0.00 -3.40 -0.08 0.00 0.10 0.00 0.00 34.13 30.75 2djk s GLU 10 CO 0.00 0.28 0.77 0.42 0.02 0.00 0.00 175.26 176.75 2djk s ILE 11 N 0.29 4.38 0.08 -1.63 1.01 -0.60 -4.84 121.20 119.90 2djk s ILE 11 Ca 0.20 1.68 0.02 0.00 0.00 0.00 0.00 60.65 62.56 2djk s ILE 11 Cb -0.14 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.19 2djk s ILE 11 CO 0.07 0.53 0.08 0.61 0.00 0.00 0.00 174.94 176.22 2djk n GLY 12 N 1.60 3.69 0.23 6.18 0.00 -1.26 -4.90 105.19 110.73 2djk n GLY 12 Ca -0.06 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 1.61 0.13 -2.00 -0.88 132.00 130.86 2djk h PRO 13 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2djk h PRO 13 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 2djk h PRO 13 CO 0.09 0.14 -1.23 0.39 -0.23 0.00 0.00 178.00 177.16 2djk n GLU 14 N -3.24 0.31 -0.04 0.86 1.02 -1.26 -4.23 120.64 114.06 2djk n GLU 14 Ca 0.01 -0.04 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 2djk n GLU 14 Cb 0.43 -1.56 -0.16 0.00 -0.02 0.00 0.00 31.44 30.12 2djk n GLU 14 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2djk n THR 15 N -1.94 0.60 -0.01 2.62 -2.24 -1.16 -4.31 114.28 107.85 2djk n THR 15 Ca 0.01 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 61.03 2djk n THR 15 Cb 0.44 -0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.88 0.00 4.78 0.05 -1.33 0.03 116.97 119.61 2djk h TYR 16 Ca -0.23 0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.58 2djk h TYR 16 Cb 1.52 0.41 -0.00 0.00 1.01 0.00 0.00 36.73 39.67 2djk h TYR 16 CO 0.00 -0.40 -0.07 1.03 -1.05 0.00 0.00 178.16 177.67 2djk h SER 17 N -0.39 0.00 -0.28 3.88 0.87 -1.79 -1.52 113.55 114.33 2djk h SER 17 Ca 0.10 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 2djk h SER 17 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2djk h SER 17 CO -0.36 0.07 -0.42 0.44 -0.53 0.00 0.00 176.83 176.03 2djk h ASP 18 N 0.00 0.85 1.53 6.23 3.32 -1.21 0.41 116.42 127.56 2djk h ASP 18 Ca -0.00 -0.51 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 2djk h ASP 18 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2djk h ASP 18 CO 0.01 1.20 -0.42 1.88 -1.72 0.00 0.00 179.24 180.19 2djk h TYR 19 N 0.53 0.00 0.13 4.55 0.05 -1.05 0.62 116.97 121.80 2djk h TYR 19 Ca 0.03 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.57 2djk h TYR 19 Cb 1.02 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.78 2djk h TYR 19 CO 0.08 0.42 -1.02 1.98 -1.05 0.00 0.00 178.16 178.57 2djk h MET 20 N 0.00 0.46 0.00 4.88 4.05 -1.17 -3.26 114.93 119.89 2djk h MET 20 Ca -0.00 -0.67 0.00 0.00 -0.28 0.00 0.00 59.70 58.75 2djk h MET 20 Cb 1.30 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 2djk h MET 20 CO 0.05 1.29 -0.30 0.45 0.23 0.00 0.00 176.91 178.64 2djk n SER 21 N -3.98 0.41 0.12 1.39 2.88 0.14 -3.77 113.62 110.81 2djk n SER 21 Ca -0.14 0.16 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2djk n SER 21 Cb 0.89 -0.13 0.58 0.00 -0.75 0.00 0.00 64.21 64.80 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 2.86 2.01 0.00 -1.46 0.00 -0.90 -3.46 119.26 118.30 2djk h ALA 22 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2djk h ALA 22 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2djk h ALA 22 CO 0.00 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2djk n GLY 23 N -1.54 0.72 3.20 0.00 0.00 -1.25 -5.07 105.19 101.26 2djk n GLY 23 Ca 0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 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 0.95 0.34 -0.61 -4.36 -1.26 -4.75 121.20 109.51 2djk s ILE 24 Ca 0.00 -1.87 -0.29 0.00 -0.26 0.00 0.00 60.65 58.23 2djk s ILE 24 Cb 0.00 -1.62 -0.12 0.00 1.25 0.00 0.00 42.46 41.97 2djk s ILE 24 CO 0.00 -0.71 1.41 -0.81 0.24 0.00 0.00 174.94 175.06 2djk n PRO 25 N 0.12 2.37 -3.80 0.37 -0.04 -1.22 -4.17 135.00 128.62 2djk n PRO 25 Ca -0.13 0.84 -0.36 0.00 -0.04 0.00 0.00 63.50 63.80 2djk n PRO 25 Cb 0.60 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.49 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 -1.19 4.32 -0.44 1.53 0.20 0.37 0.03 118.68 123.49 2djk s LEU 26 Ca 0.57 0.40 -0.07 0.00 0.69 0.00 0.00 54.13 55.72 2djk s LEU 26 Cb -0.54 -2.10 0.11 0.00 -0.43 0.00 0.00 46.19 43.23 2djk s LEU 26 CO 0.60 0.31 0.29 0.00 -0.29 0.00 0.00 176.35 177.26 2djk s ALA 27 N -0.46 3.30 -0.01 5.97 0.00 0.27 -0.43 121.76 130.39 2djk s ALA 27 Ca 0.13 -2.50 -0.24 0.00 0.00 0.00 0.00 51.96 49.34 2djk s ALA 27 Cb -0.12 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 2djk s ALA 27 CO 0.02 -1.85 0.74 0.71 0.00 0.00 0.00 175.76 175.39 2djk s TYR 28 N 1.29 3.65 -0.55 0.00 1.51 0.24 -0.05 117.35 123.44 2djk s TYR 28 Ca 0.06 1.37 0.04 0.00 -1.01 0.00 0.00 57.07 57.53 2djk s TYR 28 Cb -0.25 -2.82 0.16 0.00 -0.11 0.00 0.00 41.96 38.94 2djk s TYR 28 CO -0.02 0.17 0.37 0.42 -1.11 0.00 0.00 175.55 175.38 2djk s ILE 29 N 0.43 1.82 0.52 2.71 1.01 0.09 0.29 121.20 128.07 2djk s ILE 29 Ca 0.39 -3.34 -0.20 0.00 0.00 0.00 0.00 60.65 57.50 2djk s ILE 29 Cb -0.19 -2.23 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 2djk s ILE 29 CO 0.21 -1.02 1.10 -0.36 0.00 0.00 0.00 174.94 174.87 2djk s PHE 30 N -0.50 2.79 -0.30 3.97 0.40 0.18 -0.03 117.98 124.49 2djk s PHE 30 Ca 0.24 1.56 -0.08 0.00 -0.60 0.00 0.00 56.93 58.05 2djk s PHE 30 Cb -0.09 -3.22 0.15 0.00 0.51 0.00 0.00 43.02 40.37 2djk s PHE 30 CO -0.12 -1.32 0.65 0.00 0.70 0.00 0.00 175.22 175.14 2djk s ALA 31 N -1.83 -2.16 -1.20 5.36 0.00 0.11 -0.02 121.76 122.02 2djk s ALA 31 Ca 0.70 2.18 0.24 0.00 0.00 0.00 0.00 51.96 55.08 2djk s ALA 31 Cb -0.22 -1.92 1.09 0.00 0.00 0.00 0.00 23.12 22.08 2djk s ALA 31 CO 0.25 -1.06 1.77 0.39 0.00 0.00 0.00 175.76 177.11 2djk n GLU 32 N 5.43 0.16 -3.32 0.00 1.02 -1.26 -2.48 120.64 120.19 2djk n GLU 32 Ca -0.09 0.08 -0.47 0.00 -0.02 0.00 0.00 57.16 56.67 2djk n GLU 32 Cb 0.50 -1.50 -0.03 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 -2.80 5.50 -2.14 2.62 -4.23 -1.26 -4.80 115.64 108.53 2djk s THR 33 Ca 0.17 -2.21 0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2djk s THR 33 Cb 0.16 -4.44 0.39 0.00 1.34 0.00 0.00 72.50 69.95 2djk s THR 33 CO 0.40 -1.00 1.45 0.00 -0.54 0.00 0.00 174.62 174.92 2djk n ALA 34 N 4.34 2.51 -0.11 3.99 0.00 -1.26 -2.19 120.51 127.78 2djk n ALA 34 Ca 0.07 -0.47 -0.14 0.00 0.00 0.00 0.00 53.44 52.91 2djk n ALA 34 Cb 0.45 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 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 0.19 0.68 -0.09 0.00 2.13 -1.26 -4.49 120.64 117.80 2djk n GLU 35 Ca 0.13 0.06 0.03 0.00 0.66 0.00 0.00 57.16 58.05 2djk n GLU 35 Cb 0.26 -1.52 0.08 0.00 0.27 0.00 0.00 31.44 30.54 2djk n GLU 35 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2djk n GLU 36 N -2.98 2.83 -0.32 5.31 0.28 -1.25 -4.69 120.64 119.82 2djk n GLU 36 Ca -0.39 -1.77 0.36 0.00 -0.16 0.00 0.00 57.16 55.20 2djk n GLU 36 Cb 1.08 -1.14 0.73 0.00 1.43 0.00 0.00 31.44 33.54 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 1.10 0.00 -0.59 3.44 1.12 -1.66 0.19 114.38 117.98 2djk h ARG 37 Ca 0.00 0.00 0.08 0.00 -1.11 0.00 0.00 59.98 58.95 2djk h ARG 37 Cb 0.61 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.51 2djk h ARG 37 CO 0.00 0.00 0.24 0.87 -3.11 0.00 0.00 179.97 177.97 2djk h LYS 38 N 0.00 0.43 -0.34 0.20 1.79 -1.88 0.17 116.57 116.93 2djk h LYS 38 Ca 0.57 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.91 2djk h LYS 38 Cb 2.41 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.95 2djk h LYS 38 CO -0.01 0.28 -0.22 0.93 -1.08 0.00 0.00 179.45 179.36 2djk h GLU 39 N 0.44 0.66 0.55 3.15 5.08 -1.00 -0.93 114.58 122.53 2djk h GLU 39 Ca 0.29 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2djk h GLU 39 Cb 0.31 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.53 2djk h GLU 39 CO -0.27 0.83 -0.26 1.25 -1.00 0.00 0.00 179.01 179.56 2djk h LEU 40 N 0.58 -0.62 -2.27 1.33 7.12 -1.17 -2.45 115.31 117.84 2djk h LEU 40 Ca 0.09 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.16 2djk h LEU 40 Cb 0.69 0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2djk h LEU 40 CO 0.05 -0.32 0.15 0.28 -0.13 0.00 0.00 178.44 178.47 2djk h SER 41 N -0.99 0.00 0.86 1.25 0.02 -0.78 -2.09 113.55 111.82 2djk h SER 41 Ca -0.08 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2djk h SER 41 Cb 0.56 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.11 2djk h SER 41 CO 0.12 0.00 -0.41 -0.78 -1.14 0.00 0.00 176.83 174.62 2djk h ASP 42 N 0.00 -0.98 -1.10 3.07 3.58 -1.08 0.66 116.42 120.58 2djk h ASP 42 Ca 0.07 0.03 0.30 0.00 0.42 0.00 0.00 57.03 57.85 2djk h ASP 42 Cb 0.36 0.25 -0.07 0.00 1.72 0.00 0.00 39.33 41.59 2djk h ASP 42 CO -0.00 -0.63 0.75 0.11 -2.88 0.00 0.00 179.24 176.59 2djk h LYS 43 N -1.29 0.19 0.00 0.28 6.56 -0.90 2.26 116.57 123.67 2djk h LYS 43 Ca -0.12 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2djk h LYS 43 Cb 0.89 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.51 2djk h LYS 43 CO 0.19 0.13 -0.05 -0.07 -2.06 0.00 0.00 179.45 177.59 2djk h LEU 44 N 0.20 0.00 -0.79 2.94 3.38 -0.83 -3.03 115.31 117.18 2djk h LEU 44 Ca 0.58 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.63 2djk h LEU 44 Cb 1.86 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.54 2djk h LEU 44 CO -0.16 0.00 0.44 0.50 0.09 0.00 0.00 178.44 179.31 2djk h LYS 45 N 0.00 0.72 0.17 1.13 1.63 0.99 -0.66 116.57 120.55 2djk h LYS 45 Ca 0.00 -0.04 -0.34 0.00 -0.85 0.00 0.00 60.65 59.42 2djk h LYS 45 Cb 0.88 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.35 2djk h LYS 45 CO 0.00 0.48 -1.68 -1.00 -3.45 0.00 0.00 179.45 173.80 2djk h PRO 46 N 0.74 0.36 -0.24 1.90 0.13 -1.61 -1.00 132.00 132.29 2djk h PRO 46 Ca 0.38 -0.61 0.07 0.00 -0.87 0.00 0.00 66.00 64.97 2djk h PRO 46 Cb 0.36 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 2djk h PRO 46 CO -0.25 1.26 0.54 0.82 -0.23 0.00 0.00 178.00 180.14 2djk h ILE 47 N 0.10 0.12 0.00 -3.56 2.04 -1.29 0.77 117.51 115.69 2djk h ILE 47 Ca -0.31 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 2djk h ILE 47 Cb 2.08 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2djk h ILE 47 CO 0.18 0.00 -1.46 0.00 0.00 0.00 0.00 178.15 176.87 2djk n ALA 48 N -2.02 2.03 0.34 1.87 0.00 -0.30 -4.22 120.51 118.20 2djk n ALA 48 Ca 0.04 -0.37 0.22 0.00 0.00 0.00 0.00 53.44 53.33 2djk n ALA 48 Cb 0.65 -0.08 1.19 0.00 0.00 0.00 0.00 19.45 21.22 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 0.55 4.83 114.58 124.78 2djk h GLU 49 Ca -0.11 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.83 2djk h GLU 49 Cb 0.98 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 2djk h GLU 49 CO 0.01 0.00 -1.66 0.00 -0.73 0.00 0.00 179.01 176.63 2djk h ALA 50 N 1.98 0.73 -0.83 2.92 0.00 -1.60 -3.37 119.26 119.10 2djk h ALA 50 Ca 0.00 -1.42 -0.48 0.00 0.00 0.00 0.00 54.91 53.01 2djk h ALA 50 Cb 0.02 0.45 -0.42 0.00 0.00 0.00 0.00 17.79 17.84 2djk h ALA 50 CO -0.00 1.56 -0.89 0.00 0.00 0.00 0.00 179.25 179.92 2djk n GLN 51 N -3.08 3.05 0.09 0.00 10.64 0.11 -4.78 117.38 123.41 2djk n GLN 51 Ca -0.16 -4.03 -0.04 0.00 -1.83 0.00 0.00 57.00 50.93 2djk n GLN 51 Cb 1.04 -2.07 -0.04 0.00 -0.86 0.00 0.00 30.24 28.31 2djk n GLN 51 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.06 175.30 2djk h ARG 52 N 2.39 0.00 -0.58 2.61 -0.00 0.92 -1.35 114.38 118.37 2djk h ARG 52 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.20 2djk h ARG 52 Cb 1.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.33 2djk h ARG 52 CO 0.64 0.85 0.00 0.41 -0.00 0.00 0.00 179.97 181.86 2djk n GLY 53 N 1.12 2.70 0.00 0.08 0.00 -1.26 -4.46 105.19 103.37 2djk n GLY 53 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 1.11 0.00 -4.86 1.61 3.14 -1.22 -5.07 118.33 113.05 2djk n VAL 54 Ca 0.21 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.31 2djk n VAL 54 Cb 0.62 -0.62 -0.15 0.00 -1.06 0.00 0.00 33.84 32.64 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 -1.75 1.78 -0.99 1.55 1.01 -0.51 -3.46 121.20 118.84 2djk s ILE 55 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 2djk s ILE 55 Cb 0.00 -1.52 0.15 0.00 0.01 0.00 0.00 42.46 41.10 2djk s ILE 55 CO 0.00 0.35 1.16 0.20 0.00 0.00 0.00 174.94 176.65 2djk s ASN 56 N -0.94 6.75 -0.14 3.58 0.01 0.10 -4.54 114.94 119.76 2djk s ASN 56 Ca 0.09 -2.33 -0.29 0.00 -0.71 0.00 0.00 52.86 49.61 2djk s ASN 56 Cb -0.09 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2djk s ASN 56 CO 0.01 -0.94 1.43 -0.36 -1.51 0.00 0.00 177.10 175.73 2djk s PHE 57 N 2.17 2.46 -0.05 2.20 0.40 -1.26 -0.57 117.98 123.33 2djk s PHE 57 Ca 0.34 0.67 -0.02 0.00 -0.60 0.00 0.00 56.93 57.32 2djk s PHE 57 Cb -0.05 -3.72 0.04 0.00 0.51 0.00 0.00 43.02 39.80 2djk s PHE 57 CO -0.07 -2.56 0.10 0.20 0.70 0.00 0.00 175.22 173.59 2djk s GLY 58 N 2.71 0.07 0.45 4.36 0.00 0.92 -2.00 107.32 113.85 2djk s GLY 58 Ca 0.63 0.46 -0.14 0.00 0.00 0.00 0.00 44.72 45.66 2djk s GLY 58 CO 0.22 1.19 0.88 -0.51 0.00 0.00 0.00 173.10 174.88 2djk s THR 59 N 1.67 4.63 0.16 0.90 -4.23 0.87 -0.73 115.64 118.91 2djk s THR 59 Ca -0.03 0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 2djk s THR 59 Cb -0.12 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 70.02 2djk s THR 59 CO -0.05 -0.56 0.36 -0.51 -0.54 0.00 0.00 174.62 173.33 2djk s ILE 60 N -2.45 0.06 -0.24 2.99 2.07 0.96 -1.56 121.20 123.02 2djk s ILE 60 Ca 0.56 -1.10 -0.23 0.00 -1.41 0.00 0.00 60.65 58.47 2djk s ILE 60 Cb -0.10 -1.65 -0.01 0.00 0.13 0.00 0.00 42.46 40.82 2djk s ILE 60 CO 0.29 -0.27 0.74 -0.62 -1.91 0.00 0.00 174.94 173.16 2djk s ASP 61 N -2.91 6.72 0.00 4.50 2.15 -1.26 0.06 116.67 125.92 2djk s ASP 61 Ca 0.12 0.89 0.15 0.00 0.43 0.00 0.00 52.55 54.14 2djk s ASP 61 Cb 0.02 -2.39 0.66 0.00 -0.30 0.00 0.00 42.92 40.91 2djk s ASP 61 CO -0.03 -0.44 1.46 0.00 -0.17 0.00 0.00 175.17 175.99 2djk n ALA 62 N 5.82 2.53 -0.08 3.66 0.00 -1.03 -0.88 120.51 130.53 2djk n ALA 62 Ca 0.03 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 2djk n ALA 62 Cb 0.48 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.12 1.32 -0.03 0.00 4.81 -1.26 -3.83 118.16 119.04 2djk n LYS 63 Ca 0.12 0.03 -0.04 0.00 -0.87 0.00 0.00 58.31 57.55 2djk n LYS 63 Cb 0.19 -1.36 -0.05 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.68 1.83 0.68 3.14 0.00 -1.24 -4.63 120.51 117.62 2djk n ALA 64 Ca -0.26 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 52.82 2djk n ALA 64 Cb 0.92 0.12 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 2djk n ALA 64 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2djk n PHE 65 N -2.28 0.00 -0.33 0.00 -0.00 -0.06 -4.61 117.46 110.18 2djk n PHE 65 Ca -0.11 0.00 0.30 0.00 -0.00 0.00 0.00 57.45 57.64 2djk n PHE 65 Cb 0.72 -0.07 0.52 0.00 -0.00 0.00 0.00 39.48 40.65 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 1.42 -0.65 0.33 7.13 0.00 -0.21 0.26 105.19 113.47 2djk n GLY 66 Ca 0.02 0.63 0.17 0.00 0.00 0.00 0.00 46.02 46.84 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 1.41 1.22 -0.00 4.61 0.00 -1.87 0.88 119.26 125.50 2djk h ALA 67 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.61 2djk h ALA 67 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2djk h ALA 67 CO -0.47 -0.22 -0.53 1.58 0.00 0.00 0.00 179.25 179.61 2djk n HIS 68 N -2.90 0.00 -0.02 0.00 -0.00 0.73 -3.63 115.22 109.39 2djk n HIS 68 Ca -0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.54 2djk n HIS 68 Cb 0.28 -0.14 -0.11 0.00 -0.00 0.00 0.00 29.99 30.01 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 3.27 0.06 -0.12 1.57 0.00 0.75 -3.33 119.26 121.46 2djk h ALA 69 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2djk h ALA 69 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2djk h ALA 69 CO 0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2djk n GLY 70 N 0.96 0.95 0.00 0.00 0.00 -1.23 -4.02 105.19 101.86 2djk n GLY 70 Ca -0.09 -0.64 0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 1.13 0.00 -0.00 1.61 5.03 -1.24 -0.30 115.26 121.48 2djk n ASN 71 Ca 0.16 0.42 0.03 0.00 0.87 0.00 0.00 54.58 56.05 2djk n ASN 71 Cb 0.54 -0.43 -0.04 0.00 -1.02 0.00 0.00 39.78 38.84 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 -1.43 0.10 0.00 3.41 -0.00 -1.26 -5.02 117.00 112.81 2djk n LEU 72 Ca 0.01 -0.22 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 2djk n LEU 72 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2djk n LEU 72 CO 0.02 0.03 0.00 0.59 -0.00 0.00 0.00 177.39 178.03 2djk n ASN 73 N -1.43 -0.01 -3.88 1.45 5.03 0.58 -4.79 115.26 112.20 2djk n ASN 73 Ca -0.00 0.05 -0.22 0.00 0.87 0.00 0.00 54.58 55.28 2djk n ASN 73 Cb 0.11 0.07 0.05 0.00 -1.02 0.00 0.00 39.78 38.99 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 -1.68 -2.37 0.00 3.41 4.77 -1.23 -4.83 117.00 115.08 2djk n LEU 74 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2djk n LEU 74 Cb 0.00 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 2djk n LEU 74 CO 0.00 -2.49 0.34 2.29 -1.33 0.00 0.00 177.39 176.20 2djk n LYS 75 N 1.29 0.46 -3.06 3.23 -0.00 -1.26 -4.04 118.16 114.78 2djk n LYS 75 Ca 0.00 -0.86 -0.23 0.00 -0.00 0.00 0.00 58.31 57.23 2djk n LYS 75 Cb 0.43 -0.99 0.03 0.00 -0.00 0.00 0.00 35.03 34.50 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 -0.18 -1.87 -0.01 0.58 -2.24 -1.26 -4.88 114.28 104.42 2djk n THR 76 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2djk n THR 76 Cb 0.10 -3.25 -0.14 0.00 -2.10 0.00 0.00 70.33 64.93 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 -1.32 0.06 -5.14 3.42 3.04 -1.96 -3.48 116.42 111.03 2djk h ASP 77 Ca -0.52 -0.12 -0.12 0.00 -3.24 0.00 0.00 57.03 53.04 2djk h ASP 77 Cb 1.36 -0.02 -0.16 0.00 -1.04 0.00 0.00 39.33 39.47 2djk h ASP 77 CO 0.57 1.11 -0.53 -0.75 -2.04 0.00 0.00 179.24 177.59 2djk s LYS 78 N -2.60 0.65 0.27 4.15 2.20 -1.26 -5.18 119.74 117.97 2djk s LYS 78 Ca -0.06 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.48 2djk s LYS 78 Cb 0.08 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.66 2djk s LYS 78 CO 0.82 -0.16 0.58 -0.06 -0.36 0.00 0.00 175.35 176.16 2djk s PHE 79 N -3.21 0.18 0.98 4.03 0.40 -1.26 -4.49 117.98 114.61 2djk s PHE 79 Ca 0.00 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 2djk s PHE 79 Cb 0.02 0.39 0.18 0.00 0.51 0.00 0.00 43.02 44.13 2djk s PHE 79 CO -0.07 -1.11 1.12 -1.25 0.70 0.00 0.00 175.22 174.60 2djk s PRO 80 N -3.87 0.52 0.27 0.24 0.04 -1.26 -4.78 135.00 126.16 2djk s PRO 80 Ca 0.18 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.72 2djk s PRO 80 Cb -0.03 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 2djk s PRO 80 CO 0.09 -2.92 -0.12 0.00 0.04 0.00 0.00 177.00 174.09 2djk s ALA 81 N -2.59 2.42 -0.04 8.56 0.00 0.97 -4.88 121.76 126.20 2djk s ALA 81 Ca 0.67 -1.86 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2djk s ALA 81 Cb -0.23 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.89 2djk s ALA 81 CO 0.60 0.06 0.03 0.12 0.00 0.00 0.00 175.76 176.57 2djk s PHE 82 N -2.84 0.25 0.11 0.00 5.36 -1.26 0.50 117.98 120.09 2djk s PHE 82 Ca 0.28 0.08 0.10 0.00 -0.96 0.00 0.00 56.93 56.43 2djk s PHE 82 Cb 0.00 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 42.17 2djk s PHE 82 CO 0.12 -0.18 -0.26 0.00 -1.46 0.00 0.00 175.22 173.44 2djk s ALA 83 N 1.61 2.38 -0.44 11.12 0.00 0.14 0.16 121.76 136.73 2djk s ALA 83 Ca -0.02 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.56 2djk s ALA 83 Cb -0.13 -0.43 0.13 0.00 0.00 0.00 0.00 23.12 22.69 2djk s ALA 83 CO -0.03 0.54 0.23 0.42 0.00 0.00 0.00 175.76 176.92 2djk s ILE 84 N -1.00 1.52 0.12 0.00 -1.09 -1.19 0.81 121.20 120.37 2djk s ILE 84 Ca 0.14 -2.57 -0.23 0.00 -2.23 0.00 0.00 60.65 55.76 2djk s ILE 84 Cb -0.10 -2.07 -0.07 0.00 -1.58 0.00 0.00 42.46 38.64 2djk s ILE 84 CO 0.05 -0.87 0.71 -1.58 -1.23 0.00 0.00 174.94 172.03 2djk s GLN 85 N 0.37 4.45 -0.34 2.79 0.74 0.43 -0.48 119.66 127.62 2djk s GLN 85 Ca 0.17 1.02 -0.07 0.00 0.05 0.00 0.00 55.36 56.52 2djk s GLN 85 Cb -0.24 -3.27 0.03 0.00 1.10 0.00 0.00 33.01 30.63 2djk s GLN 85 CO -0.01 0.55 0.13 -1.21 -0.55 0.00 0.00 175.29 174.20 2djk s GLU 86 N -0.98 2.70 0.00 1.67 2.02 -0.58 0.14 118.70 123.67 2djk s GLU 86 Ca 0.34 -1.13 0.28 0.00 0.02 0.00 0.00 54.97 54.47 2djk s GLU 86 Cb -0.22 -3.51 1.65 0.00 0.10 0.00 0.00 34.13 32.15 2djk s GLU 86 CO 0.24 -0.66 2.02 1.33 0.02 0.00 0.00 175.26 178.21 2djk n VAL 87 N 4.86 0.00 -0.11 2.63 0.24 -1.26 0.13 118.33 124.82 2djk n VAL 87 Ca -0.12 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.00 2djk n VAL 87 Cb 0.45 -0.51 -0.13 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.97 1.36 -0.02 2.33 0.00 -1.26 -4.65 120.51 117.30 2djk n ALA 88 Ca 0.21 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.61 2djk n ALA 88 Cb 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2djk n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2djk n LYS 89 N -3.27 4.00 -2.65 0.00 4.01 -1.21 -5.04 118.16 114.00 2djk n LYS 89 Ca -0.43 -0.17 -0.06 0.00 -0.51 0.00 0.00 58.31 57.15 2djk n LYS 89 Cb 1.01 -0.65 0.03 0.00 -0.51 0.00 0.00 35.03 34.90 2djk n LYS 89 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2djk n ASN 90 N -0.62 -5.58 -4.57 4.39 5.15 0.34 -5.03 115.26 109.34 2djk n ASN 90 Ca 0.00 -0.29 -0.26 0.00 -0.60 0.00 0.00 54.58 53.43 2djk n ASN 90 Cb 0.00 -3.86 -0.11 0.00 -0.53 0.00 0.00 39.78 35.28 2djk n ASN 90 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2djk s GLN 91 N -3.52 1.86 -0.37 1.20 2.00 -1.15 -4.89 119.66 114.79 2djk s GLN 91 Ca 0.17 -2.04 0.00 0.00 -2.00 0.00 0.00 55.36 51.49 2djk s GLN 91 Cb -0.02 -1.43 0.13 0.00 0.80 0.00 0.00 33.01 32.49 2djk s GLN 91 CO 0.51 -0.08 0.20 0.15 -0.50 0.00 0.00 175.29 175.58 2djk s LYS 92 N -3.75 0.82 -0.98 1.67 3.01 -1.26 -1.53 119.74 117.73 2djk s LYS 92 Ca 0.35 -1.49 -0.01 0.00 -1.01 0.00 0.00 55.97 53.81 2djk s LYS 92 Cb 0.09 -1.78 0.31 0.00 -1.01 0.00 0.00 37.83 35.44 2djk s LYS 92 CO 0.17 -1.15 1.45 1.19 0.51 0.00 0.00 175.35 177.53 2djk n PHE 93 N 4.05 2.68 -1.32 3.18 3.72 0.37 -3.92 117.46 126.22 2djk n PHE 93 Ca 0.07 -2.86 -0.17 0.00 -0.05 0.00 0.00 57.45 54.45 2djk n PHE 93 Cb 0.37 -1.10 0.12 0.00 -0.94 0.00 0.00 39.48 37.94 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 0.76 -1.14 -4.07 -1.08 -0.04 -1.26 -3.18 135.00 124.99 2djk n PRO 94 Ca 0.33 -1.11 -0.24 0.00 -0.04 0.00 0.00 63.50 62.44 2djk n PRO 94 Cb 0.32 -0.81 -0.07 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 -2.49 2.64 1.10 0.54 5.36 0.41 -4.85 117.98 120.69 2djk s PHE 95 Ca 0.42 -0.52 -0.17 0.00 -0.96 0.00 0.00 56.93 55.69 2djk s PHE 95 Cb -0.02 -1.89 0.24 0.00 -0.34 0.00 0.00 43.02 41.02 2djk s PHE 95 CO 0.30 0.20 1.16 -0.51 -1.46 0.00 0.00 175.22 174.90 2djk s ASP 96 N -3.91 1.79 -0.00 6.13 1.11 -1.26 -4.56 116.67 115.96 2djk s ASP 96 Ca 0.41 0.64 0.02 0.00 0.18 0.00 0.00 52.55 53.80 2djk s ASP 96 Cb 0.01 -0.91 -0.03 0.00 1.07 0.00 0.00 42.92 43.06 2djk s ASP 96 CO 0.23 -3.59 0.06 0.00 1.18 0.00 0.00 175.17 173.05 2djk n GLN 97 N -4.40 2.39 0.00 8.23 6.02 -1.26 -4.68 117.38 123.68 2djk n GLN 97 Ca 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2djk n GLN 97 Cb 0.59 -0.88 -0.00 0.00 1.02 0.00 0.00 30.24 30.97 2djk n GLN 97 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2djk n GLU 98 N -1.38 5.44 0.00 -1.09 1.02 -1.26 -4.60 120.64 118.77 2djk n GLU 98 Ca -0.00 -0.10 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2djk n GLU 98 Cb 0.04 -0.61 0.37 0.00 -0.02 0.00 0.00 31.44 31.23 2djk n GLU 98 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2djk n LYS 99 N -0.81 0.08 -0.30 3.49 3.00 -1.26 -4.95 118.16 117.40 2djk n LYS 99 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 2djk n LYS 99 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.53 2djk n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2djk n GLU 100 N -1.42 0.00 -3.58 1.64 2.13 -1.26 -5.00 120.64 113.14 2djk n GLU 100 Ca 0.05 0.30 -0.41 0.00 0.66 0.00 0.00 57.16 57.77 2djk n GLU 100 Cb 0.17 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.77 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 -0.06 4.65 0.00 6.31 1.01 -1.26 -4.91 121.20 126.94 2djk s ILE 101 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2djk s ILE 101 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2djk s ILE 101 CO 0.00 -0.25 0.00 0.35 0.00 0.00 0.00 174.94 175.04 2djk n THR 102 N 5.02 0.00 -0.03 2.92 -2.24 -1.26 -5.05 114.28 113.64 2djk n THR 102 Ca -0.12 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.65 2djk n THR 102 Cb 0.46 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.68 2djk n THR 102 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2djk h PHE 103 N 0.00 0.00 -1.04 4.78 3.57 -1.92 -3.28 116.94 119.04 2djk h PHE 103 Ca 0.00 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.80 2djk h PHE 103 Cb 0.00 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.61 2djk h PHE 103 CO 0.00 0.00 0.62 1.49 -2.23 0.00 0.00 178.31 178.19 2djk h GLU 104 N -0.38 0.37 -0.13 1.11 4.22 -1.97 0.71 114.58 118.51 2djk h GLU 104 Ca 0.00 -0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.31 2djk h GLU 104 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2djk h GLU 104 CO 0.00 0.24 -0.39 0.00 -2.18 0.00 0.00 179.01 176.68 2djk h ALA 105 N 1.75 1.09 0.05 2.92 0.00 -1.91 0.50 119.26 123.66 2djk h ALA 105 Ca 0.70 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.89 2djk h ALA 105 Cb 1.62 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2djk h ALA 105 CO -0.50 0.59 -1.70 -0.89 0.00 0.00 0.00 179.25 176.75 2djk n ILE 106 N -4.04 1.63 -0.17 0.00 2.08 0.62 -1.91 119.36 117.58 2djk n ILE 106 Ca -0.01 -0.32 -0.04 0.00 0.56 0.00 0.00 62.75 62.94 2djk n ILE 106 Cb 0.47 -1.89 0.05 0.00 -0.75 0.00 0.00 39.64 37.53 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 -0.55 0.48 0.07 0.38 5.09 0.19 0.39 116.57 122.62 2djk h LYS 107 Ca -0.42 -0.03 -0.00 0.00 0.09 0.00 0.00 60.65 60.29 2djk h LYS 107 Cb 1.63 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.86 2djk h LYS 107 CO -0.11 0.32 -0.04 0.00 -2.09 0.00 0.00 179.45 177.53 2djk h ALA 108 N 1.28 -0.10 -0.01 0.07 0.00 -1.05 -1.39 119.26 118.06 2djk h ALA 108 Ca 0.23 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2djk h ALA 108 Cb 0.14 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2djk h ALA 108 CO -0.16 -0.32 -0.33 0.35 0.00 0.00 0.00 179.25 178.78 2djk h PHE 109 N -0.57 -0.98 -0.87 0.00 3.04 -1.04 0.27 116.94 116.78 2djk h PHE 109 Ca -0.01 0.03 0.20 0.00 3.98 0.00 0.00 57.97 62.17 2djk h PHE 109 Cb 0.48 0.43 -0.12 0.00 2.56 0.00 0.00 35.95 39.31 2djk h PHE 109 CO 0.08 -0.35 0.39 -0.39 -2.02 0.00 0.00 178.31 176.01 2djk h VAL 110 N -0.41 0.54 -0.91 1.41 -1.51 -0.32 1.24 116.25 116.28 2djk h VAL 110 Ca 0.01 -0.15 0.17 0.00 -1.23 0.00 0.00 66.70 65.49 2djk h VAL 110 Cb 0.45 0.06 -0.07 0.00 -2.13 0.00 0.00 31.29 29.59 2djk h VAL 110 CO -0.23 0.08 0.59 -0.78 -1.23 0.00 0.00 177.57 176.00 2djk h ASP 111 N 0.45 0.60 0.04 4.19 3.58 0.13 1.11 116.42 126.52 2djk h ASP 111 Ca 0.52 0.05 -0.12 0.00 0.42 0.00 0.00 57.03 57.90 2djk h ASP 111 Cb 0.93 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 2djk h ASP 111 CO -0.48 0.27 -0.40 -0.78 -2.88 0.00 0.00 179.24 174.96 2djk h ASP 112 N 0.62 0.49 0.02 2.28 3.58 0.48 -1.12 116.42 122.77 2djk h ASP 112 Ca 0.48 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.71 2djk h ASP 112 Cb 0.89 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2djk h ASP 112 CO -0.22 0.84 -0.01 0.15 -2.88 0.00 0.00 179.24 177.12 2djk h PHE 113 N 0.39 -0.03 -0.62 0.28 3.57 0.28 3.35 116.94 124.16 2djk h PHE 113 Ca 0.03 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.66 2djk h PHE 113 Cb 0.87 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.52 2djk h PHE 113 CO 0.03 -0.02 0.06 0.28 -2.23 0.00 0.00 178.31 176.43 2djk h VAL 114 N -0.06 0.54 -0.83 1.41 2.07 0.20 0.14 116.25 119.72 2djk h VAL 114 Ca -0.00 -0.06 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2djk h VAL 114 Cb 0.02 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 2djk h VAL 114 CO 0.01 0.03 0.54 0.00 0.02 0.00 0.00 177.57 178.17 2djk h ALA 115 N 1.54 1.75 0.00 1.67 0.00 -1.34 -3.45 119.26 119.42 2djk h ALA 115 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2djk h ALA 115 Cb 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2djk h ALA 115 CO -0.48 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2djk n GLY 116 N -1.44 1.99 0.20 0.00 0.00 0.04 -5.05 105.19 100.93 2djk n GLY 116 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.17 0.52 -1.78 1.61 4.81 1.03 -4.99 118.16 119.19 2djk n LYS 117 Ca 0.00 0.22 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 2djk n LYS 117 Cb 0.00 -1.39 0.05 0.00 0.02 0.00 0.00 35.03 33.72 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 -2.57 2.80 0.22 3.15 1.01 0.34 -4.89 121.20 121.25 2djk s ILE 118 Ca -0.33 0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2djk s ILE 118 Cb 0.11 -3.02 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2djk s ILE 118 CO 0.43 -0.18 0.07 -1.61 0.00 0.00 0.00 174.94 173.65 2djk s GLU 119 N -3.76 1.26 -0.40 2.79 2.02 -1.26 -4.77 118.70 114.58 2djk s GLU 119 Ca 0.72 -1.65 -0.42 0.00 0.02 0.00 0.00 54.97 53.64 2djk s GLU 119 Cb -0.26 -0.14 -0.16 0.00 0.10 0.00 0.00 34.13 33.66 2djk s GLU 119 CO 0.39 -0.26 1.92 -2.30 0.02 0.00 0.00 175.26 175.03 2djk n PRO 120 N -0.35 0.59 -2.39 0.39 -0.02 -1.26 -4.88 135.00 127.08 2djk n PRO 120 Ca -0.02 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 2djk n PRO 120 Cb 0.65 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 2djk n PRO 120 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2djk s SER 121 N 4.92 7.09 0.01 2.55 0.01 -1.25 -4.74 113.70 122.28 2djk s SER 121 Ca 1.08 2.14 0.00 0.00 1.31 0.00 0.00 55.95 60.48 2djk s SER 121 Cb -1.23 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 62.41 2djk s SER 121 CO 0.66 -0.41 0.00 2.30 0.41 0.00 0.00 173.24 176.20 2djk n ILE 122 N 3.11 0.00 -2.34 1.44 -5.35 -1.26 -4.70 119.36 110.27 2djk n ILE 122 Ca 0.06 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.46 2djk n ILE 122 Cb 0.45 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.00 -2.36 -3.83 6.28 4.76 -1.26 -0.25 118.16 121.49 2djk n LYS 123 Ca 0.00 0.40 -0.26 0.00 -2.87 0.00 0.00 58.31 55.57 2djk n LYS 123 Cb 0.00 -4.92 0.03 0.00 -1.84 0.00 0.00 35.03 28.30 2djk n LYS 123 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2djk n SER 124 N -1.51 -3.12 -3.22 4.39 7.64 -1.26 -4.95 113.62 111.58 2djk n SER 124 Ca -0.09 -0.81 -0.12 0.00 1.01 0.00 0.00 58.87 58.86 2djk n SER 124 Cb 0.54 -3.90 -0.05 0.00 -1.01 0.00 0.00 64.21 59.79 2djk n SER 124 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2djk s GLU 125 N -6.37 0.80 0.43 1.43 2.56 0.65 -5.15 118.70 113.06 2djk s GLU 125 Ca 0.37 -0.96 -0.20 0.00 0.00 0.00 0.00 54.97 54.18 2djk s GLU 125 Cb -0.18 -0.53 -0.10 0.00 2.00 0.00 0.00 34.13 35.31 2djk s GLU 125 CO 0.83 -1.25 0.94 -1.25 -0.56 0.00 0.00 175.26 173.96 2djk s PRO 126 N 1.20 4.17 -0.41 4.30 0.04 -1.26 -4.74 135.00 138.30 2djk s PRO 126 Ca 0.22 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.35 2djk s PRO 126 Cb -0.08 -2.19 0.17 0.00 0.04 0.00 0.00 34.50 32.44 2djk s PRO 126 CO -0.06 -0.05 0.44 0.42 0.04 0.00 0.00 177.00 177.79 2djk s ILE 127 N -2.23 -0.32 1.01 0.56 1.09 -1.26 -5.15 121.20 114.90 2djk s ILE 127 Ca 0.61 -1.36 -0.22 0.00 -1.10 0.00 0.00 60.65 58.58 2djk s ILE 127 Cb -0.09 -0.66 -0.12 0.00 -1.06 0.00 0.00 42.46 40.54 2djk s ILE 127 CO 0.16 -0.61 -0.92 -2.65 -0.10 0.00 0.00 174.94 170.82 2djk n PRO 128 N 3.66 -0.28 -3.19 2.79 -0.02 -1.26 -5.03 135.00 131.68 2djk n PRO 128 Ca 0.17 -0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2djk n PRO 128 Cb 0.48 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.76 2djk n PRO 128 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2djk s GLU 129 N -2.37 0.36 0.00 -0.52 0.41 -1.26 -5.09 118.70 110.22 2djk s GLU 129 Ca 0.42 0.66 0.00 0.00 -0.41 0.00 0.00 54.97 55.65 2djk s GLU 129 Cb -0.04 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.68 2djk s GLU 129 CO 0.71 -0.36 0.00 1.17 -0.49 0.00 0.00 175.26 176.30 2djk n LYS 130 N 5.41 0.00 -1.94 1.61 0.00 -1.26 -5.14 118.16 116.84 2djk n LYS 130 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.96 2djk n LYS 130 Cb 0.52 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.73 2djk n LYS 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2djk s GLN 131 N 0.00 0.77 -0.17 1.64 2.00 -1.26 -5.11 119.66 117.53 2djk s GLN 131 Ca 0.00 -0.38 -0.33 0.00 -2.00 0.00 0.00 55.36 52.65 2djk s GLN 131 Cb 0.00 -1.87 0.14 0.00 0.80 0.00 0.00 33.01 32.08 2djk s GLN 131 CO 0.00 -2.33 1.16 -2.00 -0.50 0.00 0.00 175.29 171.62 2djk s GLU 132 N -5.85 0.37 0.00 1.67 -6.30 -1.26 -5.25 118.70 102.09 2djk s GLU 132 Ca 0.73 -0.09 0.00 0.00 -2.50 0.00 0.00 54.97 53.11 2djk s GLU 132 Cb -0.04 0.17 0.00 0.00 0.00 0.00 0.00 34.13 34.26 2djk s GLU 132 CO 0.52 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.06