#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eav n PRO 4 N 0.00 2.19 0.08 1.61 -0.02 -1.26 -4.99 135.00 132.61 1eav n PRO 4 Ca 0.00 0.80 -0.05 0.00 -2.02 0.00 0.00 63.50 62.22 1eav n PRO 4 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.85 1eav n PRO 4 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1eav h GLU 5 N 7.63 -0.30 -5.46 -0.52 4.81 -1.90 -3.43 114.58 115.42 1eav h GLU 5 Ca -0.47 0.02 -0.62 0.00 -0.13 0.00 0.00 59.36 58.16 1eav h GLU 5 Cb 1.26 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.58 1eav h GLU 5 CO 0.92 -0.18 0.12 0.71 -0.73 0.00 0.00 179.01 179.85 1eav s TYR 6 N -2.59 3.21 -0.17 0.92 4.12 -1.11 -5.01 117.35 116.71 1eav s TYR 6 Ca -0.05 0.52 -0.24 0.00 0.02 0.00 0.00 57.07 57.32 1eav s TYR 6 Cb 0.00 -2.98 -0.02 0.00 -1.52 0.00 0.00 41.96 37.44 1eav s TYR 6 CO 0.15 -0.49 0.76 0.15 0.02 0.00 0.00 175.55 176.14 1eav s LYS 7 N 2.58 4.27 -0.01 -0.62 1.02 -1.26 -1.37 119.74 124.35 1eav s LYS 7 Ca 0.24 0.87 0.08 0.00 0.02 0.00 0.00 55.97 57.18 1eav s LYS 7 Cb -0.15 -3.57 -0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1eav s LYS 7 CO 0.12 -0.28 -0.24 0.08 -0.92 0.00 0.00 175.35 174.11 1eav s VAL 8 N 2.01 2.24 0.13 3.17 1.01 -0.42 -0.35 120.40 128.18 1eav s VAL 8 Ca 0.35 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 61.27 1eav s VAL 8 Cb -0.16 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1eav s VAL 8 CO 0.12 0.53 -0.15 0.00 0.00 0.00 0.00 175.10 175.59 1eav s ALA 9 N -0.68 1.58 -0.07 5.51 0.00 -0.04 -1.11 121.76 126.95 1eav s ALA 9 Ca 0.11 -1.31 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1eav s ALA 9 Cb -0.10 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1eav s ALA 9 CO 0.00 0.14 -0.07 0.42 0.00 0.00 0.00 175.76 176.25 1eav s ILE 10 N -2.05 0.81 -0.24 0.00 1.01 -0.50 -1.86 121.20 118.38 1eav s ILE 10 Ca 0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 60.65 60.47 1eav s ILE 10 Cb -0.05 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1eav s ILE 10 CO 0.04 0.30 -0.02 -0.22 0.00 0.00 0.00 174.94 175.04 1eav s LEU 11 N 1.19 3.12 -0.12 2.97 2.96 -0.53 -1.82 118.68 126.45 1eav s LEU 11 Ca -0.06 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 1eav s LEU 11 Cb -0.14 -1.77 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1eav s LEU 11 CO -0.02 -0.06 0.26 -0.89 -1.32 0.00 0.00 176.35 174.32 1eav s THR 12 N 1.47 5.32 -0.19 3.68 2.01 0.37 -1.29 115.64 127.01 1eav s THR 12 Ca 0.05 0.47 -0.01 0.00 0.31 0.00 0.00 61.69 62.51 1eav s THR 12 Cb -0.15 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.80 1eav s THR 12 CO -0.02 0.50 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.57 1eav s VAL 13 N -0.27 2.54 0.00 3.82 1.01 0.41 -1.83 120.40 126.08 1eav s VAL 13 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1eav s VAL 13 Cb -0.13 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.15 1eav s VAL 13 CO 0.05 0.50 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 1eav n SER 14 N 4.59 0.00 -0.33 3.32 2.88 -0.24 -4.35 113.62 119.49 1eav n SER 14 Ca -0.20 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.49 1eav n SER 14 Cb 0.51 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.27 1eav n SER 14 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1eav h ASP 15 N 0.00 -0.34 -0.14 -3.46 3.32 -1.86 -0.84 116.42 113.10 1eav h ASP 15 Ca 0.00 0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1eav h ASP 15 Cb 0.00 0.43 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1eav h ASP 15 CO 0.00 -0.32 -0.02 0.74 -1.72 0.00 0.00 179.24 177.92 1eav h THR 16 N 0.04 1.27 -0.33 0.35 2.02 -1.95 -2.36 112.91 111.96 1eav h THR 16 Ca 0.60 -0.90 -0.13 0.00 0.77 0.00 0.00 66.41 66.74 1eav h THR 16 Cb 1.25 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1eav h THR 16 CO -0.85 0.26 -0.31 0.58 0.37 0.00 0.00 175.52 175.57 1eav h VAL 17 N -0.02 1.29 0.00 3.16 2.07 -1.60 -1.63 116.25 119.52 1eav h VAL 17 Ca 0.04 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1eav h VAL 17 Cb 0.41 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1eav h VAL 17 CO 0.01 0.48 -0.03 -1.28 0.02 0.00 0.00 177.57 176.77 1eav h SER 18 N 0.56 0.00 0.42 0.57 0.87 -1.09 -2.21 113.55 112.66 1eav h SER 18 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1eav h SER 18 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1eav h SER 18 CO 0.08 0.03 -0.53 0.00 -0.53 0.00 0.00 176.83 175.88 1eav n ALA 19 N -2.14 3.63 -0.65 6.23 0.00 -0.90 -4.90 120.51 121.78 1eav n ALA 19 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1eav n ALA 19 Cb 0.18 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1eav n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1eav n GLY 20 N 1.48 0.94 0.00 0.00 0.00 -0.83 -4.93 105.19 101.85 1eav n GLY 20 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1eav n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eav n ALA 21 N 0.04 2.26 -3.61 4.61 0.00 -0.63 -4.83 120.51 118.36 1eav n ALA 21 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 1eav n ALA 21 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 1eav n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1eav s GLY 22 N -2.06 -0.35 0.37 0.00 0.00 -1.17 -4.96 107.32 99.14 1eav s GLY 22 Ca 0.30 0.97 -0.02 0.00 0.00 0.00 0.00 44.72 45.98 1eav s GLY 22 CO 0.25 0.29 0.50 -1.55 0.00 0.00 0.00 173.10 172.59 1eav n PRO 23 N -0.30 0.08 -3.96 2.90 -0.04 -1.26 -4.34 135.00 128.08 1eav n PRO 23 Ca -0.05 -1.20 -0.34 0.00 -0.04 0.00 0.00 63.50 61.87 1eav n PRO 23 Cb 0.61 -0.38 -0.14 0.00 -0.04 0.00 0.00 33.50 33.54 1eav n PRO 23 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1eav s ASP 24 N -2.98 4.59 -0.01 3.54 3.68 -1.26 -4.78 116.67 119.45 1eav s ASP 24 Ca 0.32 -1.18 0.22 0.00 2.13 0.00 0.00 52.55 54.04 1eav s ASP 24 Cb -0.02 -1.66 -0.24 0.00 -1.45 0.00 0.00 42.92 39.55 1eav s ASP 24 CO 0.21 -0.20 0.75 0.54 0.13 0.00 0.00 175.17 176.61 1eav n ARG 25 N 4.59 0.27 -0.06 4.34 1.74 -1.26 -4.44 116.66 121.85 1eav n ARG 25 Ca -0.14 -0.08 -0.20 0.00 -0.77 0.00 0.00 57.85 56.66 1eav n ARG 25 Cb 0.44 -1.52 -0.13 0.00 -1.02 0.00 0.00 32.46 30.24 1eav n ARG 25 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1eav n SER 26 N -1.83 2.06 -0.20 0.55 3.41 -1.26 -3.82 113.62 112.54 1eav n SER 26 Ca 0.01 0.07 -0.09 0.00 -0.26 0.00 0.00 58.87 58.60 1eav n SER 26 Cb 0.43 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 1eav n SER 26 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1eav h GLY 27 N 1.40 -0.50 2.00 5.00 0.00 -1.92 -1.98 103.07 107.07 1eav h GLY 27 Ca -0.49 0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1eav h GLY 27 CO -0.00 -0.16 -0.19 -0.56 0.00 0.00 0.00 176.54 175.63 1eav h PRO 28 N -0.24 0.00 -0.22 4.80 0.13 -1.78 -1.58 132.00 133.11 1eav h PRO 28 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1eav h PRO 28 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1eav h PRO 28 CO -0.67 0.19 -0.48 0.00 -0.23 0.00 0.00 178.00 176.81 1eav h ARG 29 N 0.00 0.70 -0.37 0.86 2.47 -1.48 -2.32 114.38 114.23 1eav h ARG 29 Ca -0.00 -0.47 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1eav h ARG 29 Cb 0.34 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1eav h ARG 29 CO 0.02 1.09 0.21 0.00 0.56 0.00 0.00 179.97 181.85 1eav h ALA 30 N 0.61 0.48 -0.59 0.04 0.00 -1.11 0.18 119.26 118.87 1eav h ALA 30 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1eav h ALA 30 Cb 1.08 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1eav h ALA 30 CO 0.10 0.00 0.12 0.28 0.00 0.00 0.00 179.25 179.76 1eav h VAL 31 N 0.48 0.65 0.00 0.00 2.07 -1.25 -0.33 116.25 117.87 1eav h VAL 31 Ca 0.13 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 1eav h VAL 31 Cb 0.06 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1eav h VAL 31 CO -0.02 0.05 -0.66 0.77 0.02 0.00 0.00 177.57 177.73 1eav h SER 32 N 0.25 0.00 -0.38 0.57 4.64 -0.80 -1.50 113.55 116.34 1eav h SER 32 Ca 0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1eav h SER 32 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1eav h SER 32 CO -0.39 0.66 0.11 0.58 -0.87 0.00 0.00 176.83 176.91 1eav h VAL 33 N 0.00 1.21 0.44 0.95 2.07 0.09 0.17 116.25 121.18 1eav h VAL 33 Ca -0.01 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1eav h VAL 33 Cb 1.31 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1eav h VAL 33 CO 0.09 0.25 -0.39 0.58 0.02 0.00 0.00 177.57 178.12 1eav h VAL 34 N 0.46 0.00 -0.88 2.57 2.07 -0.68 -0.75 116.25 119.03 1eav h VAL 34 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 1eav h VAL 34 Cb 0.26 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.92 1eav h VAL 34 CO -0.00 0.00 -0.55 0.44 0.02 0.00 0.00 177.57 177.48 1eav h ASP 35 N -0.81 -1.97 0.00 0.57 3.45 -1.27 1.68 116.42 118.06 1eav h ASP 35 Ca -0.06 0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1eav h ASP 35 Cb 0.69 0.88 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 1eav h ASP 35 CO -0.02 -0.27 0.00 -0.24 -1.57 0.00 0.00 179.24 177.14 1eav n SER 36 N -5.31 0.00 -0.38 6.45 2.88 0.60 -1.43 113.62 116.43 1eav n SER 36 Ca 0.02 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.94 1eav n SER 36 Cb 0.30 -0.33 0.04 0.00 -0.75 0.00 0.00 64.21 63.47 1eav n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1eav n SER 37 N -1.33 1.84 -0.33 -3.46 7.64 0.56 -4.77 113.62 113.78 1eav n SER 37 Ca 0.00 -1.43 0.11 0.00 1.01 0.00 0.00 58.87 58.57 1eav n SER 37 Cb 0.00 -0.01 0.24 0.00 -1.01 0.00 0.00 64.21 63.43 1eav n SER 37 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1eav h SER 38 N 1.81 -0.53 0.33 6.43 0.87 -0.32 0.14 113.55 122.28 1eav h SER 38 Ca 0.00 0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1eav h SER 38 Cb 0.41 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 1eav h SER 38 CO 0.00 -0.32 -0.16 -0.08 -0.53 0.00 0.00 176.83 175.74 1eav h GLU 39 N 0.03 -0.43 -0.17 2.24 4.81 -1.86 3.15 114.58 122.35 1eav h GLU 39 Ca 0.55 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.86 1eav h GLU 39 Cb 1.06 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1eav h GLU 39 CO -0.89 -0.28 0.38 0.87 -0.73 0.00 0.00 179.01 178.35 1eav h LYS 40 N -0.45 0.00 -0.09 1.92 1.57 -1.61 1.05 116.57 118.96 1eav h LYS 40 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1eav h LYS 40 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1eav h LYS 40 CO 0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 1eav n LEU 41 N -3.26 1.17 0.00 2.94 4.77 0.39 -4.70 117.00 118.31 1eav n LEU 41 Ca 0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1eav n LEU 41 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1eav n LEU 41 CO 0.20 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1eav n GLY 42 N 1.06 0.67 1.36 -0.72 0.00 0.36 -4.69 105.19 103.24 1eav n GLY 42 Ca 0.17 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 1eav n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eav n GLY 43 N -2.22 -3.48 3.30 -0.02 0.00 1.04 -4.74 105.19 99.07 1eav n GLY 43 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1eav n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1eav s ALA 44 N -0.14 -0.96 -0.04 4.61 0.00 -1.21 -2.76 121.76 121.27 1eav s ALA 44 Ca -0.01 0.35 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 1eav s ALA 44 Cb 0.00 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1eav s ALA 44 CO 0.02 -0.38 0.21 0.21 0.00 0.00 0.00 175.76 175.82 1eav s LYS 45 N -2.04 0.44 -0.27 0.00 2.20 -0.47 -4.55 119.74 115.04 1eav s LYS 45 Ca -0.08 -0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.21 1eav s LYS 45 Cb -0.02 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1eav s LYS 45 CO 0.00 -0.10 0.87 0.08 -0.36 0.00 0.00 175.35 175.85 1eav s VAL 46 N -0.76 4.77 -1.15 4.02 1.01 -1.26 -1.30 120.40 125.72 1eav s VAL 46 Ca -0.09 1.52 0.12 0.00 0.00 0.00 0.00 61.98 63.54 1eav s VAL 46 Cb -0.05 -4.18 0.29 0.00 0.00 0.00 0.00 36.38 32.44 1eav s VAL 46 CO 0.02 -0.19 1.20 1.33 0.00 0.00 0.00 175.10 177.46 1eav n VAL 47 N 5.42 0.79 -3.60 2.92 0.24 -0.26 -4.93 118.33 118.90 1eav n VAL 47 Ca 0.06 -0.90 -0.10 0.00 -2.04 0.00 0.00 64.34 61.37 1eav n VAL 47 Cb 0.47 0.66 -0.06 0.00 -1.47 0.00 0.00 33.84 33.44 1eav n VAL 47 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1eav s ALA 48 N -1.01 -1.96 0.11 2.33 0.00 -1.25 -5.05 121.76 114.94 1eav s ALA 48 Ca 0.24 1.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 1eav s ALA 48 Cb 0.13 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 1eav s ALA 48 CO 0.17 -0.27 0.06 0.95 0.00 0.00 0.00 175.76 176.68 1eav s THR 49 N -0.52 0.13 0.19 0.00 -4.23 -1.26 -1.41 115.64 108.54 1eav s THR 49 Ca 0.01 -1.79 -0.18 0.00 -1.18 0.00 0.00 61.69 58.55 1eav s THR 49 Cb -0.02 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.00 1eav s THR 49 CO -0.02 -0.60 0.53 0.00 -0.54 0.00 0.00 174.62 173.99 1eav s ALA 50 N -3.99 -0.99 -0.02 3.99 0.00 -0.76 -4.94 121.76 115.05 1eav s ALA 50 Ca 0.18 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.02 1eav s ALA 50 Cb 0.07 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1eav s ALA 50 CO -0.02 -0.81 -0.19 0.08 0.00 0.00 0.00 175.76 174.82 1eav s VAL 51 N -3.86 1.53 0.08 0.00 1.01 -1.26 -0.47 120.40 117.42 1eav s VAL 51 Ca 0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1eav s VAL 51 Cb -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1eav s VAL 51 CO -0.03 0.43 0.06 0.68 0.00 0.00 0.00 175.10 176.24 1eav s VAL 52 N -0.43 0.17 0.80 2.92 -7.23 -0.76 -4.96 120.40 110.92 1eav s VAL 52 Ca 0.07 -1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 58.51 1eav s VAL 52 Cb -0.08 -1.56 0.09 0.00 0.56 0.00 0.00 36.38 35.40 1eav s VAL 52 CO -0.01 -0.79 1.16 -2.16 -0.31 0.00 0.00 175.10 172.99 1eav s PRO 53 N -3.92 1.83 -1.19 4.82 0.04 -1.26 -1.08 135.00 134.24 1eav s PRO 53 Ca 0.09 -0.08 -0.21 0.00 0.04 0.00 0.00 61.00 60.84 1eav s PRO 53 Cb 0.07 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1eav s PRO 53 CO -0.08 -1.62 1.89 -0.25 0.04 0.00 0.00 177.00 176.98 1eav n ASP 54 N -3.28 3.49 -3.67 6.66 8.00 -1.26 -4.49 116.55 122.00 1eav n ASP 54 Ca 0.09 -2.75 -0.09 0.00 0.71 0.00 0.00 54.79 52.75 1eav n ASP 54 Cb 0.61 -1.69 -0.10 0.00 -0.02 0.00 0.00 41.12 39.92 1eav n ASP 54 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1eav s GLU 55 N 5.75 0.38 0.24 -1.24 2.02 -1.26 -4.89 118.70 119.70 1eav s GLU 55 Ca 0.64 0.96 -0.06 0.00 0.02 0.00 0.00 54.97 56.53 1eav s GLU 55 Cb 0.02 0.20 0.27 0.00 0.10 0.00 0.00 34.13 34.72 1eav s GLU 55 CO 0.12 -0.21 1.90 -0.39 0.02 0.00 0.00 175.26 176.70 1eav h VAL 56 N 5.84 1.19 -0.57 2.63 -1.51 -1.88 -0.82 116.25 121.12 1eav h VAL 56 Ca -0.25 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.79 1eav h VAL 56 Cb 1.15 -0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.16 1eav h VAL 56 CO 0.19 0.22 0.31 -0.33 -1.23 0.00 0.00 177.57 176.73 1eav h GLU 57 N 1.20 0.80 -0.59 5.19 4.39 -1.97 1.19 114.58 124.79 1eav h GLU 57 Ca 0.36 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 1eav h GLU 57 Cb -0.05 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1eav h GLU 57 CO -0.10 0.62 0.13 0.00 -1.16 0.00 0.00 179.01 178.50 1eav h ARG 58 N 0.77 0.92 -0.13 2.33 2.47 -1.64 -0.35 114.38 118.75 1eav h ARG 58 Ca 0.20 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 1eav h ARG 58 Cb 0.06 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 1eav h ARG 58 CO -0.03 0.83 -0.38 0.82 0.56 0.00 0.00 179.97 181.77 1eav h ILE 59 N 0.88 1.36 -0.27 2.04 2.04 0.19 -2.95 117.51 120.80 1eav h ILE 59 Ca 0.19 -1.68 0.06 0.00 1.00 0.00 0.00 64.86 64.43 1eav h ILE 59 Cb 0.34 2.08 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 1eav h ILE 59 CO 0.00 0.50 -0.15 0.11 0.00 0.00 0.00 178.15 178.61 1eav h LYS 60 N 0.10 -0.12 -0.56 2.37 1.57 0.20 -2.43 116.57 117.71 1eav h LYS 60 Ca -0.01 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1eav h LYS 60 Cb 1.00 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 1eav h LYS 60 CO 0.08 -0.08 0.20 -0.44 -0.57 0.00 0.00 179.45 178.65 1eav h ASP 61 N -0.12 0.20 -0.10 0.86 3.32 -0.91 0.25 116.42 119.92 1eav h ASP 61 Ca 0.15 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1eav h ASP 61 Cb 0.34 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1eav h ASP 61 CO -0.35 0.13 0.04 0.40 -1.72 0.00 0.00 179.24 177.74 1eav h ILE 62 N 0.38 1.15 -0.82 0.35 1.08 -1.45 0.38 117.51 118.59 1eav h ILE 62 Ca 0.27 -0.46 0.11 0.00 -0.39 0.00 0.00 64.86 64.39 1eav h ILE 62 Cb 0.31 1.28 -0.08 0.00 -3.07 0.00 0.00 36.82 35.27 1eav h ILE 62 CO -0.28 0.14 0.45 -0.07 -0.69 0.00 0.00 178.15 177.69 1eav h LEU 63 N -0.01 0.60 0.25 1.44 3.38 -0.59 0.64 115.31 121.02 1eav h LEU 63 Ca 0.03 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1eav h LEU 63 Cb 0.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1eav h LEU 63 CO -0.00 0.32 -0.12 1.56 0.09 0.00 0.00 178.44 180.29 1eav h GLN 64 N 0.71 -0.32 -0.08 1.13 4.20 0.14 -2.51 115.11 118.38 1eav h GLN 64 Ca 0.41 0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.15 1eav h GLN 64 Cb 0.46 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1eav h GLN 64 CO -0.29 -0.03 0.03 -0.22 -0.67 0.00 0.00 178.83 177.66 1eav h LYS 65 N -0.61 0.08 0.00 1.46 3.64 0.49 0.25 116.57 121.88 1eav h LYS 65 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1eav h LYS 65 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1eav h LYS 65 CO 0.06 0.05 0.00 0.91 -2.27 0.00 0.00 179.45 178.20 1eav n TRP 66 N -5.06 0.00 -0.12 1.91 8.01 0.15 -1.21 117.44 121.12 1eav n TRP 66 Ca -0.05 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 55.92 1eav n TRP 66 Cb 0.04 -0.44 -0.12 0.00 -2.01 0.00 0.00 31.31 28.78 1eav n TRP 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1eav n SER 67 N -1.44 1.98 0.05 -0.99 7.64 -0.59 -2.83 113.62 117.44 1eav n SER 67 Ca 0.07 0.06 -0.20 0.00 1.01 0.00 0.00 58.87 59.81 1eav n SER 67 Cb 0.24 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 62.70 1eav n SER 67 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1eav h ASP 68 N -0.32 0.46 0.00 6.43 3.32 -0.44 -3.30 116.42 122.57 1eav h ASP 68 Ca -0.59 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 55.67 1eav h ASP 68 Cb 1.81 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1eav h ASP 68 CO -0.17 1.66 -0.91 0.52 -1.72 0.00 0.00 179.24 178.62 1eav n VAL 69 N -3.49 1.47 0.56 -1.35 0.31 -0.35 -4.55 118.33 110.94 1eav n VAL 69 Ca -0.24 0.14 0.12 0.00 -0.01 0.00 0.00 64.34 64.35 1eav n VAL 69 Cb 1.06 -2.34 0.45 0.00 -0.91 0.00 0.00 33.84 32.10 1eav n VAL 69 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1eav n ASP 70 N -4.50 0.52 -1.80 4.52 8.00 -0.72 -5.01 116.55 117.55 1eav n ASP 70 Ca -0.14 0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1eav n ASP 70 Cb 0.45 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1eav n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1eav n GLU 71 N -2.03 -3.36 0.00 -1.24 1.02 -1.13 -4.96 120.64 108.94 1eav n GLU 71 Ca 0.04 2.41 0.00 0.00 -0.02 0.00 0.00 57.16 59.59 1eav n GLU 71 Cb 0.29 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 28.87 1eav n GLU 71 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1eav n ASP 73 N 0.84 2.59 -3.71 1.62 8.00 0.52 -4.96 116.55 121.45 1eav n ASP 73 Ca 0.00 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.36 1eav n ASP 73 Cb 0.00 0.38 -0.14 0.00 -0.02 0.00 0.00 41.12 41.34 1eav n ASP 73 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1eav s LEU 74 N -2.10 0.26 -0.12 0.64 2.96 -0.92 -2.14 118.68 117.26 1eav s LEU 74 Ca 0.00 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1eav s LEU 74 Cb 0.00 0.56 0.02 0.00 0.50 0.00 0.00 46.19 47.27 1eav s LEU 74 CO 0.00 -0.19 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.09 1eav s ILE 75 N 1.65 1.35 -0.15 6.68 1.01 -0.77 -0.86 121.20 130.11 1eav s ILE 75 Ca -0.05 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.03 1eav s ILE 75 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1eav s ILE 75 CO -0.07 0.42 0.03 -0.76 0.00 0.00 0.00 174.94 174.56 1eav s LEU 76 N 1.36 3.68 0.17 2.97 1.43 -0.78 -2.13 118.68 125.38 1eav s LEU 76 Ca 0.00 0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1eav s LEU 76 Cb -0.13 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1eav s LEU 76 CO -0.06 0.23 0.22 0.42 0.23 0.00 0.00 176.35 177.38 1eav s THR 77 N 0.04 4.90 -0.07 5.49 -4.23 -0.79 -1.45 115.64 119.53 1eav s THR 77 Ca 0.04 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1eav s THR 77 Cb -0.13 -3.53 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1eav s THR 77 CO 0.01 -0.12 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.09 1eav s LEU 78 N -3.24 1.65 0.00 4.79 1.43 -0.41 -4.57 118.68 118.32 1eav s LEU 78 Ca 0.33 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1eav s LEU 78 Cb -0.10 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.27 1eav s LEU 78 CO 0.26 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1eav n GLY 79 N 3.84 -1.24 2.17 -3.19 0.00 -1.26 -0.45 105.19 105.06 1eav n GLY 79 Ca -0.22 -1.60 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 1eav n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eav n GLY 80 N -1.39 0.07 0.44 -0.02 0.00 -1.26 -4.71 105.19 98.32 1eav n GLY 80 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.55 1eav n GLY 80 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1eav n THR 81 N -3.96 0.00 -0.61 2.61 -2.24 -1.26 -0.90 114.28 107.92 1eav n THR 81 Ca -0.09 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1eav n THR 81 Cb 0.57 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1eav n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1eav n GLY 82 N 0.78 1.34 0.03 3.38 0.00 -1.26 -0.44 105.19 109.02 1eav n GLY 82 Ca 0.07 -1.73 0.11 0.00 0.00 0.00 0.00 46.02 44.47 1eav n GLY 82 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1eav n PHE 83 N 0.00 0.19 -1.42 1.61 3.01 -1.26 -4.72 117.46 114.86 1eav n PHE 83 Ca 0.00 0.06 -0.40 0.00 1.01 0.00 0.00 57.45 58.12 1eav n PHE 83 Cb 0.00 -0.59 0.02 0.00 -0.01 0.00 0.00 39.48 38.89 1eav n PHE 83 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1eav n THR 84 N -2.35 1.65 0.25 4.37 -1.04 -1.26 -4.85 114.28 111.05 1eav n THR 84 Ca -0.03 -0.50 0.09 0.00 -2.04 0.00 0.00 64.05 61.57 1eav n THR 84 Cb 0.57 -0.50 0.65 0.00 -1.82 0.00 0.00 70.33 69.23 1eav n THR 84 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1eav h PRO 85 N 0.47 0.00 -0.00 -2.82 0.11 -2.04 -2.69 132.00 125.04 1eav h PRO 85 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1eav h PRO 85 Cb 1.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1eav h PRO 85 CO 0.48 0.12 -0.04 0.54 -0.21 0.00 0.00 178.00 178.89 1eav n ARG 86 N -4.06 0.05 -2.39 1.05 5.12 -1.26 -4.72 116.66 110.45 1eav n ARG 86 Ca -0.02 -0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.47 1eav n ARG 86 Cb 0.20 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.98 1eav n ARG 86 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1eav s ASP 87 N -2.96 6.22 -0.03 0.55 1.01 -1.02 -4.75 116.67 115.69 1eav s ASP 87 Ca 0.15 0.48 0.04 0.00 0.71 0.00 0.00 52.55 53.94 1eav s ASP 87 Cb 0.19 -2.54 0.07 0.00 1.01 0.00 0.00 42.92 41.64 1eav s ASP 87 CO 0.54 -1.60 0.99 1.33 0.21 0.00 0.00 175.17 176.64 1eav n VAL 88 N 6.94 0.48 -0.12 -1.27 0.24 -1.12 -4.81 118.33 118.67 1eav n VAL 88 Ca 0.14 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.34 61.77 1eav n VAL 88 Cb 0.49 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 33.21 1eav n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1eav h THR 89 N 4.73 1.24 -0.63 3.34 2.02 -1.30 -1.10 112.91 121.21 1eav h THR 89 Ca 0.00 -0.85 -0.07 0.00 0.77 0.00 0.00 66.41 66.25 1eav h THR 89 Cb 1.24 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 1eav h THR 89 CO 0.00 0.29 0.10 -0.65 0.37 0.00 0.00 175.52 175.63 1eav h PRO 90 N 0.41 1.04 -0.68 6.66 0.11 -1.84 0.19 132.00 137.89 1eav h PRO 90 Ca 0.10 -0.27 0.08 0.00 0.11 0.00 0.00 66.00 66.03 1eav h PRO 90 Cb 0.37 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.29 1eav h PRO 90 CO 0.01 0.95 0.34 0.93 -0.21 0.00 0.00 178.00 180.03 1eav h GLU 91 N 0.97 0.59 -0.38 1.05 3.07 -1.79 -0.56 114.58 117.54 1eav h GLU 91 Ca 0.19 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.90 1eav h GLU 91 Cb 0.42 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1eav h GLU 91 CO 0.01 0.39 -0.23 0.00 -1.40 0.00 0.00 179.01 177.78 1eav h ALA 92 N 1.39 0.54 -0.86 3.43 0.00 0.14 -2.40 119.26 121.49 1eav h ALA 92 Ca 0.32 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1eav h ALA 92 Cb 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1eav h ALA 92 CO -0.24 0.52 0.48 1.15 0.00 0.00 0.00 179.25 181.16 1eav h THR 93 N 0.62 1.25 0.00 0.00 2.02 -0.25 -2.46 112.91 114.09 1eav h THR 93 Ca 0.08 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1eav h THR 93 Cb 0.79 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1eav h THR 93 CO 0.06 0.28 -0.14 0.11 0.37 0.00 0.00 175.52 176.20 1eav h LYS 94 N 1.20 0.00 0.00 6.66 1.57 -0.59 -0.55 116.57 124.86 1eav h LYS 94 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1eav h LYS 94 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1eav h LYS 94 CO -0.05 0.14 0.00 0.87 -0.57 0.00 0.00 179.45 179.84 1eav h LYS 95 N 0.00 0.00 0.00 3.15 1.57 -1.27 -3.33 116.57 116.69 1eav h LYS 95 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1eav h LYS 95 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1eav h LYS 95 CO 0.02 0.00 -0.49 1.33 -0.57 0.00 0.00 179.45 179.74 1eav n VAL 96 N -2.38 0.00 -1.87 0.50 0.24 -0.27 -5.00 118.33 109.55 1eav n VAL 96 Ca 0.03 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.73 1eav n VAL 96 Cb 0.29 0.78 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 1eav n VAL 96 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1eav s ILE 97 N -1.56 4.39 -0.09 1.34 -4.36 -0.85 -4.74 121.20 115.33 1eav s ILE 97 Ca 0.00 0.77 0.06 0.00 -0.26 0.00 0.00 60.65 61.23 1eav s ILE 97 Cb 0.01 -3.77 -0.10 0.00 1.25 0.00 0.00 42.46 39.86 1eav s ILE 97 CO 0.08 -1.01 0.00 -0.62 0.24 0.00 0.00 174.94 173.62 1eav n GLU 98 N -2.82 2.10 -4.24 0.37 1.02 0.13 -4.96 120.64 112.25 1eav n GLU 98 Ca 0.06 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 57.02 1eav n GLU 98 Cb 0.55 -1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 30.60 1eav n GLU 98 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1eav s ARG 99 N -2.20 0.83 0.38 3.49 0.52 -0.31 -4.95 118.95 116.70 1eav s ARG 99 Ca -0.06 -0.18 -0.11 0.00 -0.52 0.00 0.00 55.73 54.86 1eav s ARG 99 Cb 0.03 -0.80 -0.07 0.00 0.52 0.00 0.00 34.95 34.63 1eav s ARG 99 CO 0.32 0.00 0.75 -1.21 0.02 0.00 0.00 175.30 175.18 1eav s GLU 100 N 0.56 3.81 -0.56 3.54 2.02 -1.26 -1.21 118.70 125.60 1eav s GLU 100 Ca -0.08 0.47 0.07 0.00 0.02 0.00 0.00 54.97 55.45 1eav s GLU 100 Cb -0.11 -2.42 0.29 0.00 0.10 0.00 0.00 34.13 31.99 1eav s GLU 100 CO 0.00 0.02 0.79 0.25 0.02 0.00 0.00 175.26 176.35 1eav n THR 101 N -1.08 1.99 0.33 3.63 -2.24 -1.19 -4.87 114.28 110.85 1eav n THR 101 Ca 0.02 -5.14 0.22 0.00 -2.27 0.00 0.00 64.05 56.88 1eav n THR 101 Cb 0.54 -1.64 1.15 0.00 -2.10 0.00 0.00 70.33 68.28 1eav n THR 101 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1eav h PRO 102 N 3.60 0.00 -0.61 -0.78 0.11 -1.95 0.89 132.00 133.27 1eav h PRO 102 Ca 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1eav h PRO 102 Cb 0.66 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1eav h PRO 102 CO 0.75 0.00 0.32 0.78 -0.21 0.00 0.00 178.00 179.64 1eav h GLY 103 N 0.16 0.92 1.71 -0.55 0.00 -1.98 0.25 103.07 103.57 1eav h GLY 103 Ca -0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1eav h GLY 103 CO 0.00 0.41 -0.33 1.41 0.00 0.00 0.00 176.54 178.03 1eav h LEU 104 N 0.83 0.34 -0.59 3.11 3.38 -1.24 -2.61 115.31 118.53 1eav h LEU 104 Ca 0.21 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1eav h LEU 104 Cb 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1eav h LEU 104 CO -0.03 0.66 -0.11 -0.07 0.09 0.00 0.00 178.44 178.98 1eav h LEU 105 N 0.29 1.01 -0.93 1.67 3.38 -1.12 -2.76 115.31 116.85 1eav h LEU 105 Ca 0.04 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1eav h LEU 105 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1eav h LEU 105 CO 0.06 1.12 0.25 0.15 0.09 0.00 0.00 178.44 180.10 1eav h PHE 106 N 0.89 1.04 -0.65 1.13 3.57 -0.25 -3.41 116.94 119.27 1eav h PHE 106 Ca 0.14 -0.08 -0.50 0.00 3.53 0.00 0.00 57.97 61.06 1eav h PHE 106 Cb 0.68 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1eav h PHE 106 CO 0.04 0.81 1.63 0.28 -2.23 0.00 0.00 178.31 178.85 1eav n VAL 107 N -4.28 2.91 0.00 1.41 0.31 -1.01 -4.67 118.33 113.00 1eav n VAL 107 Ca 0.06 -3.03 0.00 0.00 -0.01 0.00 0.00 64.34 61.36 1eav n VAL 107 Cb 0.20 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 1eav n VAL 107 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1eav n GLN 110 N 8.33 0.00 -0.16 5.55 7.27 -1.26 -4.56 117.38 132.54 1eav n GLN 110 Ca 0.47 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.43 1eav n GLN 110 Cb 0.46 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.11 1eav n GLN 110 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1eav h GLU 111 N 0.00 0.90 0.00 3.69 4.39 -1.97 -2.86 114.58 118.73 1eav h GLU 111 Ca 0.00 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 1eav h GLU 111 Cb 0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 1eav h GLU 111 CO 0.00 0.97 -0.49 0.66 -1.16 0.00 0.00 179.01 179.00 1eav h SER 112 N 0.74 0.00 0.10 1.42 4.64 -1.94 -0.17 113.55 118.34 1eav h SER 112 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1eav h SER 112 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1eav h SER 112 CO 0.04 0.49 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.42 1eav h LEU 113 N 0.00 0.00 -0.00 5.97 3.38 -1.66 0.14 115.31 123.13 1eav h LEU 113 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1eav h LEU 113 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1eav h LEU 113 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 1eav n LYS 114 N -3.15 0.00 -0.12 1.13 5.02 -0.08 -3.47 118.16 117.49 1eav n LYS 114 Ca -0.03 0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 1eav n LYS 114 Cb 0.09 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.48 1eav n LYS 114 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1eav n ILE 115 N -1.51 1.51 -3.51 -0.18 5.41 0.43 -5.01 119.36 116.51 1eav n ILE 115 Ca 0.07 -0.54 -0.16 0.00 1.00 0.00 0.00 62.75 63.12 1eav n ILE 115 Cb 0.33 -1.52 -0.05 0.00 -0.71 0.00 0.00 39.64 37.68 1eav n ILE 115 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1eav s THR 116 N -2.52 0.00 0.35 1.39 -1.32 -0.94 -5.04 115.64 107.56 1eav s THR 116 Ca -0.35 -0.04 0.24 0.00 -1.21 0.00 0.00 61.69 60.33 1eav s THR 116 Cb 0.10 -0.99 0.24 0.00 -1.51 0.00 0.00 72.50 70.35 1eav s THR 116 CO 0.59 -0.02 1.98 -0.65 -2.21 0.00 0.00 174.62 174.31 1eav h PRO 117 N 2.82 0.00 0.00 7.08 0.11 -1.86 -2.91 132.00 137.25 1eav h PRO 117 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1eav h PRO 117 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1eav h PRO 117 CO 0.39 0.19 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 1eav n PHE 118 N -3.68 0.00 -0.37 0.65 3.01 -1.26 -4.52 117.46 111.29 1eav n PHE 118 Ca -0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.35 1eav n PHE 118 Cb 0.31 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.48 1eav n PHE 118 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1eav n ALA 119 N -1.28 2.88 0.00 4.37 0.00 -1.10 -4.37 120.51 121.02 1eav n ALA 119 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1eav n ALA 119 Cb 0.05 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 16.88 1eav n ALA 119 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1eav n LEU 121 N 4.06 0.00 -4.74 0.00 4.77 -1.26 -4.94 117.00 114.90 1eav n LEU 121 Ca 0.21 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 1eav n LEU 121 Cb 0.13 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1eav n LEU 121 CO 0.49 0.00 0.89 -0.55 -1.33 0.00 0.00 177.39 176.89 1eav s SER 122 N 0.00 7.08 -0.38 -1.43 0.15 -1.26 -4.37 113.70 113.48 1eav s SER 122 Ca 0.00 2.24 0.06 0.00 0.70 0.00 0.00 55.95 58.94 1eav s SER 122 Cb 0.00 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.23 1eav s SER 122 CO 0.00 -0.38 1.60 0.54 1.20 0.00 0.00 173.24 176.20 1eav n ARG 123 N 2.54 2.30 -1.73 5.44 1.74 0.41 -5.01 116.66 122.36 1eav n ARG 123 Ca 0.05 -3.32 -0.41 0.00 -0.77 0.00 0.00 57.85 53.40 1eav n ARG 123 Cb 0.45 -2.03 0.01 0.00 -1.02 0.00 0.00 32.46 29.87 1eav n ARG 123 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1eav n SER 124 N -1.04 2.95 -4.83 0.55 7.64 -1.26 -4.70 113.62 112.93 1eav n SER 124 Ca 0.45 1.13 -0.28 0.00 1.01 0.00 0.00 58.87 61.18 1eav n SER 124 Cb 1.09 -1.55 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 1eav n SER 124 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1eav s ALA 125 N -1.19 4.15 -0.21 -0.43 0.00 -1.26 -4.98 121.76 117.85 1eav s ALA 125 Ca 0.60 -1.21 -0.35 0.00 0.00 0.00 0.00 51.96 51.01 1eav s ALA 125 Cb -0.49 -0.45 0.15 0.00 0.00 0.00 0.00 23.12 22.33 1eav s ALA 125 CO 0.58 -0.26 1.24 0.00 0.00 0.00 0.00 175.76 177.32 1eav s ALA 126 N -2.76 -2.09 0.00 0.00 0.00 -1.26 -1.86 121.76 113.79 1eav s ALA 126 Ca 0.28 1.67 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1eav s ALA 126 Cb 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1eav s ALA 126 CO 0.16 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1eav n GLY 127 N 0.01 -1.52 3.25 0.00 0.00 -0.09 -3.16 105.19 103.67 1eav n GLY 127 Ca 0.01 -1.25 -0.28 0.00 0.00 0.00 0.00 46.02 44.50 1eav n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1eav s ILE 128 N -2.89 1.76 -0.03 -0.61 1.01 -0.35 -0.65 121.20 119.44 1eav s ILE 128 Ca 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.67 1eav s ILE 128 Cb 0.00 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 41.01 1eav s ILE 128 CO 0.00 0.45 -0.07 -0.60 0.00 0.00 0.00 174.94 174.72 1eav s ARG 129 N -0.63 0.83 0.00 2.79 3.52 -0.45 0.20 118.95 125.21 1eav s ARG 129 Ca 0.09 -0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1eav s ARG 129 Cb -0.09 -0.79 0.00 0.00 -1.56 0.00 0.00 34.95 32.51 1eav s ARG 129 CO -0.00 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1eav n GLY 130 N 3.48 0.72 0.43 8.12 0.00 -1.26 0.34 105.19 117.02 1eav n GLY 130 Ca -0.20 0.65 0.07 0.00 0.00 0.00 0.00 46.02 46.54 1eav n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1eav n SER 131 N 2.58 1.70 -4.45 1.61 3.41 -1.26 -4.99 113.62 112.21 1eav n SER 131 Ca 0.00 -3.09 -0.35 0.00 -0.26 0.00 0.00 58.87 55.17 1eav n SER 131 Cb 0.00 -0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 63.41 1eav n SER 131 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1eav s THR 132 N -2.32 4.02 -0.20 6.66 2.01 0.15 -4.76 115.64 121.20 1eav s THR 132 Ca 0.30 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 1eav s THR 132 Cb 0.28 -2.83 -0.00 0.00 0.01 0.00 0.00 72.50 69.96 1eav s THR 132 CO -0.02 0.42 0.92 -0.22 -0.69 0.00 0.00 174.62 175.02 1eav s LEU 133 N 1.05 4.13 -0.08 4.42 2.96 -0.91 -1.34 118.68 128.92 1eav s LEU 133 Ca 0.02 1.25 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 1eav s LEU 133 Cb -0.14 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 1eav s LEU 133 CO 0.02 -0.52 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.76 1eav s ILE 134 N 2.65 3.12 -0.04 6.68 1.01 0.17 -1.85 121.20 132.95 1eav s ILE 134 Ca 0.40 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1eav s ILE 134 Cb -0.16 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.08 1eav s ILE 134 CO 0.10 0.56 0.03 -0.63 0.00 0.00 0.00 174.94 175.00 1eav s ILE 135 N -0.31 0.05 0.80 2.92 1.01 -0.91 -0.92 121.20 123.85 1eav s ILE 135 Ca 0.03 0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.86 1eav s ILE 135 Cb -0.13 -0.23 0.13 0.00 0.01 0.00 0.00 42.46 42.24 1eav s ILE 135 CO 0.03 0.17 1.12 0.20 0.00 0.00 0.00 174.94 176.45 1eav s ASN 136 N 1.68 4.09 0.09 3.58 0.01 -0.78 -1.89 114.94 121.73 1eav s ASN 136 Ca -0.01 0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.34 1eav s ASN 136 Cb -0.13 -0.51 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 1eav s ASN 136 CO -0.03 -2.07 0.03 -2.84 -1.51 0.00 0.00 177.10 170.68 1eav s PRO 138 N -5.44 2.66 0.48 -0.60 0.02 -1.26 -4.70 135.00 126.16 1eav s PRO 138 Ca 0.67 -0.81 0.25 0.00 0.02 0.00 0.00 61.00 61.13 1eav s PRO 138 Cb -0.07 -2.59 1.31 0.00 0.02 0.00 0.00 34.50 33.17 1eav s PRO 138 CO 0.47 0.54 1.87 0.78 -0.33 0.00 0.00 177.00 180.34 1eav h GLY 139 N 3.31 0.41 -4.06 0.52 0.00 -1.87 -3.37 103.07 98.00 1eav h GLY 139 Ca -0.47 -0.08 -0.54 0.00 0.00 0.00 0.00 47.33 46.24 1eav h GLY 139 CO 0.62 -0.01 0.82 -1.31 0.00 0.00 0.00 176.54 176.65 1eav s ASN 140 N -5.61 6.34 0.33 0.19 0.01 -1.26 -4.64 114.94 110.30 1eav s ASN 140 Ca -0.06 3.03 0.05 0.00 -0.71 0.00 0.00 52.86 55.17 1eav s ASN 140 Cb 0.22 -2.66 0.69 0.00 0.41 0.00 0.00 41.25 39.91 1eav s ASN 140 CO 0.78 -0.90 1.89 -0.65 -1.51 0.00 0.00 177.10 176.71 1eav h PRO 141 N 3.60 0.82 0.00 -0.60 0.11 -1.87 -1.80 132.00 132.25 1eav h PRO 141 Ca -0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 1eav h PRO 141 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1eav h PRO 141 CO 0.69 0.54 -0.14 -0.91 -0.21 0.00 0.00 178.00 177.97 1eav h ASN 142 N 0.84 0.00 -0.68 -2.05 2.35 -1.96 -3.34 115.58 110.74 1eav h ASN 142 Ca 0.41 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 56.29 1eav h ASN 142 Cb 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.74 1eav h ASN 142 CO -0.18 0.14 0.23 0.00 -1.65 0.00 0.00 177.43 175.97 1eav h ALA 143 N 1.86 0.89 -0.06 -0.83 0.00 -1.64 0.13 119.26 119.61 1eav h ALA 143 Ca -0.00 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1eav h ALA 143 Cb 1.09 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1eav h ALA 143 CO 0.02 -0.24 -0.27 0.28 0.00 0.00 0.00 179.25 179.04 1eav h VAL 144 N 0.37 1.22 -0.19 0.00 2.07 -1.68 0.16 116.25 118.20 1eav h VAL 144 Ca 0.36 -1.04 -0.12 0.00 0.82 0.00 0.00 66.70 66.72 1eav h VAL 144 Cb 0.53 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1eav h VAL 144 CO -0.39 0.31 -0.34 0.00 0.02 0.00 0.00 177.57 177.16 1eav h ALA 145 N 1.63 0.30 -0.03 1.67 0.00 -0.95 -3.23 119.26 118.65 1eav h ALA 145 Ca 0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 54.91 54.25 1eav h ALA 145 Cb 0.53 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1eav h ALA 145 CO 0.04 0.36 -0.96 0.93 0.00 0.00 0.00 179.25 179.61 1eav h GLU 146 N 0.24 0.66 -0.05 0.00 5.08 -1.11 -2.30 114.58 117.09 1eav h GLU 146 Ca 0.01 -0.66 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1eav h GLU 146 Cb 0.94 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1eav h GLU 146 CO 0.08 1.26 0.00 0.00 -1.00 0.00 0.00 179.01 179.35 1eav n GLU 149 N 0.49 0.00 0.09 0.00 2.13 -0.87 -2.07 120.64 120.41 1eav n GLU 149 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1eav n GLU 149 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 1eav n GLU 149 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1eav h ALA 150 N 0.00 0.58 0.07 4.31 0.00 -1.75 -3.35 119.26 119.12 1eav h ALA 150 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 54.91 53.87 1eav h ALA 150 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1eav h ALA 150 CO 0.00 0.94 -1.79 -0.07 0.00 0.00 0.00 179.25 178.33 1eav h LEU 151 N 0.08 0.24 -1.57 0.00 3.38 -1.72 -3.41 115.31 112.30 1eav h LEU 151 Ca -0.03 -0.49 0.35 0.00 0.09 0.00 0.00 57.88 57.80 1eav h LEU 151 Cb 1.47 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.05 1eav h LEU 151 CO 0.12 1.43 0.82 0.25 0.09 0.00 0.00 178.44 181.15 1eav h LEU 152 N 0.04 0.25 -1.78 1.67 5.85 -1.85 0.30 115.31 119.79 1eav h LEU 152 Ca -0.33 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1eav h LEU 152 Cb 2.02 0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.09 1eav h LEU 152 CO 0.10 -0.02 0.00 -0.65 -0.34 0.00 0.00 178.44 177.53 1eav h PRO 153 N 0.18 0.00 0.00 5.25 0.11 -1.81 -3.30 132.00 132.43 1eav h PRO 153 Ca 0.67 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1eav h PRO 153 Cb 2.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.26 1eav h PRO 153 CO -0.24 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.55 1eav n ALA 154 N -1.85 0.30 0.23 -0.75 0.00 0.07 -4.76 120.51 113.75 1eav n ALA 154 Ca -0.02 -0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1eav n ALA 154 Cb 0.04 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.05 1eav n ALA 154 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1eav h LEU 155 N 0.00 0.00 0.29 0.00 5.85 -1.57 0.32 115.31 120.20 1eav h LEU 155 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1eav h LEU 155 Cb 0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1eav h LEU 155 CO 0.00 0.20 -0.23 0.50 -0.34 0.00 0.00 178.44 178.58 1eav h LYS 156 N 0.00 -0.48 -0.64 1.25 3.64 -1.84 0.10 116.57 118.61 1eav h LYS 156 Ca -0.00 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1eav h LYS 156 Cb 0.43 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 1eav h LYS 156 CO 0.03 -0.32 0.43 1.25 -2.27 0.00 0.00 179.45 178.57 1eav h HIS 157 N -0.50 0.44 0.11 1.91 2.76 -1.71 -1.01 115.15 117.15 1eav h HIS 157 Ca -0.04 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1eav h HIS 157 Cb 0.41 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 1eav h HIS 157 CO -0.08 0.20 -0.29 0.00 -1.30 0.00 0.00 177.93 176.46 1eav h ALA 158 N 1.68 -0.49 -0.26 5.26 0.00 0.19 -0.86 119.26 124.79 1eav h ALA 158 Ca 0.30 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1eav h ALA 158 Cb 0.63 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1eav h ALA 158 CO -0.08 -0.83 -0.49 -0.07 0.00 0.00 0.00 179.25 177.78 1eav h LEU 159 N -0.50 0.77 -0.56 0.00 3.38 -0.13 -2.89 115.31 115.38 1eav h LEU 159 Ca 0.03 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.65 1eav h LEU 159 Cb 0.54 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1eav h LEU 159 CO -0.18 1.13 0.31 0.50 0.09 0.00 0.00 178.44 180.30 1eav h LYS 160 N 0.55 0.59 0.00 1.13 3.64 -1.06 -2.60 116.57 118.82 1eav h LYS 160 Ca 0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1eav h LYS 160 Cb 1.05 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1eav h LYS 160 CO 0.10 0.39 -0.01 1.96 -2.27 0.00 0.00 179.45 179.62 1eav h GLN 161 N 0.61 0.00 -0.00 1.90 4.20 -0.95 -3.51 115.11 117.36 1eav h GLN 161 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1eav h GLN 161 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1eav h GLN 161 CO -0.13 0.01 0.00 -0.89 -0.67 0.00 0.00 178.83 177.15