#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 2.31 -0.05 1.61 -0.02 -1.26 -4.99 135.00 132.59 1eav n PRO 4 Ca 0.00 0.82 -0.01 0.00 -2.02 0.00 0.00 63.50 62.29 1eav n PRO 4 Cb 0.00 -2.55 -0.00 0.00 -0.02 0.00 0.00 33.50 30.93 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 4.87 0.00 -5.64 -0.52 4.81 -1.91 -3.45 114.58 112.76 1eav h GLU 5 Ca -0.45 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.18 1eav h GLU 5 Cb 1.25 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 30.53 1eav h GLU 5 CO 0.81 0.00 0.18 0.71 -0.73 0.00 0.00 179.01 179.98 1eav s TYR 6 N -1.69 3.34 -0.29 0.92 4.12 -0.97 -4.99 117.35 117.80 1eav s TYR 6 Ca -0.03 0.93 -0.18 0.00 0.02 0.00 0.00 57.07 57.80 1eav s TYR 6 Cb 0.00 -2.85 -0.02 0.00 -1.52 0.00 0.00 41.96 37.58 1eav s TYR 6 CO 0.05 -0.25 0.53 0.15 0.02 0.00 0.00 175.55 176.05 1eav s LYS 7 N 2.22 3.95 -0.06 -0.62 1.02 -1.26 -1.03 119.74 123.96 1eav s LYS 7 Ca 0.29 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.51 1eav s LYS 7 Cb -0.16 -3.70 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 1eav s LYS 7 CO 0.09 -0.45 -0.07 0.08 -0.92 0.00 0.00 175.35 174.09 1eav s VAL 8 N 2.38 3.66 0.06 3.17 1.01 -0.34 -0.67 120.40 129.67 1eav s VAL 8 Ca 0.21 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1eav s VAL 8 Cb -0.15 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1eav s VAL 8 CO 0.10 0.59 -0.14 0.00 0.00 0.00 0.00 175.10 175.65 1eav s ALA 9 N -0.81 1.20 -0.10 5.51 0.00 -0.32 -0.49 121.76 126.75 1eav s ALA 9 Ca 0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 1eav s ALA 9 Cb -0.11 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1eav s ALA 9 CO 0.02 0.19 -0.06 0.42 0.00 0.00 0.00 175.76 176.33 1eav s ILE 10 N -1.13 0.88 -0.27 0.00 1.01 -0.70 -1.31 121.20 119.68 1eav s ILE 10 Ca -0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1eav s ILE 10 Cb -0.09 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1eav s ILE 10 CO 0.02 0.34 0.07 -0.22 0.00 0.00 0.00 174.94 175.15 1eav s LEU 11 N 1.75 3.63 -0.17 2.97 2.96 0.10 -1.73 118.68 128.20 1eav s LEU 11 Ca 0.05 -0.53 -0.18 0.00 -0.22 0.00 0.00 54.13 53.25 1eav s LEU 11 Cb -0.13 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 1eav s LEU 11 CO -0.07 -0.13 0.49 -0.89 -1.32 0.00 0.00 176.35 174.43 1eav s THR 12 N 1.53 5.15 -0.20 3.68 2.01 0.21 -0.15 115.64 127.88 1eav s THR 12 Ca 0.04 0.93 -0.03 0.00 0.31 0.00 0.00 61.69 62.94 1eav s THR 12 Cb -0.16 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.52 1eav s THR 12 CO 0.02 0.25 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.43 1eav s VAL 13 N 1.18 3.15 0.00 3.82 1.01 0.16 -2.01 120.40 127.71 1eav s VAL 13 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1eav s VAL 13 Cb -0.15 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1eav s VAL 13 CO 0.10 0.46 0.00 -0.24 0.00 0.00 0.00 175.10 175.42 1eav n SER 14 N 4.51 0.00 -0.12 3.32 2.88 -0.67 -4.33 113.62 119.21 1eav n SER 14 Ca -0.19 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.31 1eav n SER 14 Cb 0.51 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.20 0.08 -3.46 3.32 -1.86 -0.51 116.42 113.79 1eav h ASP 15 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1eav h ASP 15 Cb 0.00 0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 1eav h ASP 15 CO 0.00 -0.06 -0.44 0.74 -1.72 0.00 0.00 179.24 177.76 1eav h THR 16 N 0.08 0.12 -0.38 0.35 2.02 -1.95 -0.90 112.91 112.26 1eav h THR 16 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1eav h THR 16 Cb 0.28 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1eav h THR 16 CO -0.34 0.00 0.18 0.58 0.37 0.00 0.00 175.52 176.31 1eav h VAL 17 N -0.65 1.17 -0.60 3.16 2.07 -1.69 -2.25 116.25 117.47 1eav h VAL 17 Ca 0.03 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1eav h VAL 17 Cb 0.69 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1eav h VAL 17 CO -0.28 0.18 0.40 -1.28 0.02 0.00 0.00 177.57 176.61 1eav h SER 18 N 0.47 0.45 -0.01 0.57 0.87 -0.88 0.32 113.55 115.35 1eav h SER 18 Ca 0.13 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1eav h SER 18 Cb 0.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1eav h SER 18 CO -0.02 0.28 0.00 0.00 -0.53 0.00 0.00 176.83 176.57 1eav n ALA 19 N -2.50 2.64 -0.89 6.23 0.00 -0.36 -4.87 120.51 120.76 1eav n ALA 19 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1eav n ALA 19 Cb 0.29 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.99 0.42 0.00 0.00 0.00 0.11 -4.88 105.19 101.83 1eav n GLY 20 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 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 1.00 2.47 -3.68 4.61 0.00 -0.86 -4.87 120.51 119.18 1eav n ALA 21 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1eav n ALA 21 Cb 0.11 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.99 -0.33 0.59 0.00 0.00 -1.23 -4.95 107.32 99.41 1eav s GLY 22 Ca 0.39 0.46 0.09 0.00 0.00 0.00 0.00 44.72 45.65 1eav s GLY 22 CO 0.30 0.41 0.82 2.56 0.00 0.00 0.00 173.10 177.18 1eav s PRO 23 N -2.64 2.23 -0.28 2.90 0.04 -1.26 -4.38 135.00 131.61 1eav s PRO 23 Ca 0.15 -1.59 -0.05 0.00 0.04 0.00 0.00 61.00 59.54 1eav s PRO 23 Cb 0.03 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.96 1eav s PRO 23 CO -0.02 -0.93 0.04 0.34 0.04 0.00 0.00 177.00 176.48 1eav s ASP 24 N -4.68 4.91 -0.01 6.66 3.68 -1.26 -4.83 116.67 121.14 1eav s ASP 24 Ca 0.62 -0.72 0.17 0.00 2.13 0.00 0.00 52.55 54.75 1eav s ASP 24 Cb -0.06 -1.83 -0.22 0.00 -1.45 0.00 0.00 42.92 39.37 1eav s ASP 24 CO 0.40 -0.16 0.55 0.54 0.13 0.00 0.00 175.17 176.62 1eav n ARG 25 N 4.82 1.04 -0.02 4.34 1.74 -1.26 -4.50 116.66 122.82 1eav n ARG 25 Ca -0.15 -0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 56.67 1eav n ARG 25 Cb 0.48 -1.34 -0.14 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.72 1.83 -0.21 0.55 3.41 -1.26 -3.79 113.62 112.43 1eav n SER 26 Ca 0.00 0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.69 1eav n SER 26 Cb 0.35 -0.62 -0.09 0.00 -0.26 0.00 0.00 64.21 63.59 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 1.71 -0.90 1.92 5.00 0.00 -1.91 -1.81 103.07 107.08 1eav h GLY 27 Ca -0.42 0.72 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 1eav h GLY 27 CO 0.07 -0.08 -0.11 -0.56 0.00 0.00 0.00 176.54 175.85 1eav h PRO 28 N -0.28 0.10 -0.29 4.80 0.13 -1.79 0.08 132.00 134.74 1eav h PRO 28 Ca 0.11 -0.02 -0.12 0.00 -0.87 0.00 0.00 66.00 65.11 1eav h PRO 28 Cb 0.55 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1eav h PRO 28 CO -0.69 0.21 -0.30 0.00 -0.23 0.00 0.00 178.00 176.99 1eav h ARG 29 N 0.09 0.61 0.33 0.86 2.47 -1.47 -1.17 114.38 116.10 1eav h ARG 29 Ca 0.02 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 1eav h ARG 29 Cb 0.26 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1eav h ARG 29 CO 0.02 0.84 -0.16 0.00 0.56 0.00 0.00 179.97 181.22 1eav h ALA 30 N 1.15 -0.45 -0.78 0.04 0.00 -0.30 -0.22 119.26 118.70 1eav h ALA 30 Ca 0.06 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.99 1eav h ALA 30 Cb 0.78 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1eav h ALA 30 CO 0.06 -0.65 0.18 0.28 0.00 0.00 0.00 179.25 179.13 1eav h VAL 31 N -0.66 0.46 -0.02 0.00 2.07 -0.95 0.10 116.25 117.25 1eav h VAL 31 Ca -0.05 -0.09 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 1eav h VAL 31 Cb 0.47 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1eav h VAL 31 CO 0.08 0.05 -0.71 -1.28 0.02 0.00 0.00 177.57 175.72 1eav h SER 32 N 0.25 0.15 -0.74 0.57 0.87 -0.65 -1.99 113.55 112.01 1eav h SER 32 Ca 0.45 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1eav h SER 32 Cb 0.80 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1eav h SER 32 CO -0.55 0.81 0.43 0.58 -0.53 0.00 0.00 176.83 177.56 1eav h VAL 33 N 0.08 1.22 -0.23 2.23 2.07 0.93 0.73 116.25 123.28 1eav h VAL 33 Ca -0.02 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.00 1eav h VAL 33 Cb 1.25 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1eav h VAL 33 CO 0.10 0.23 0.14 0.58 0.02 0.00 0.00 177.57 178.64 1eav h VAL 34 N 1.02 1.03 0.47 2.57 2.07 -0.66 -0.02 116.25 122.73 1eav h VAL 34 Ca 0.26 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1eav h VAL 34 Cb -0.00 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1eav h VAL 34 CO -0.05 0.05 -0.23 0.44 0.02 0.00 0.00 177.57 177.81 1eav h ASP 35 N 0.28 -0.53 0.00 0.57 3.45 -1.14 0.22 116.42 119.27 1eav h ASP 35 Ca 0.09 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.57 1eav h ASP 35 Cb -0.01 0.14 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 1eav h ASP 35 CO -0.04 -0.38 0.00 -0.24 -1.57 0.00 0.00 179.24 177.02 1eav n SER 36 N -5.36 0.00 -0.28 6.45 2.88 0.23 -1.39 113.62 116.15 1eav n SER 36 Ca -0.12 0.28 0.05 0.00 -1.33 0.00 0.00 58.87 57.75 1eav n SER 36 Cb 0.27 -0.28 0.01 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.28 1.40 -0.34 -3.46 7.64 0.64 -4.76 113.62 113.47 1eav n SER 37 Ca 0.00 -1.20 0.08 0.00 1.01 0.00 0.00 58.87 58.76 1eav n SER 37 Cb 0.00 0.32 0.17 0.00 -1.01 0.00 0.00 64.21 63.70 1eav n SER 37 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1eav n SER 38 N 0.01 -0.28 0.51 6.43 2.88 -0.41 -0.28 113.62 122.49 1eav n SER 38 Ca 0.05 1.63 -0.20 0.00 -1.33 0.00 0.00 58.87 59.01 1eav n SER 38 Cb 0.22 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 1eav n SER 38 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1eav h GLU 39 N 0.00 -1.26 0.00 -1.46 4.81 -1.86 1.76 114.58 116.57 1eav h GLU 39 Ca 0.49 0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1eav h GLU 39 Cb 0.83 0.29 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1eav h GLU 39 CO -0.95 -0.84 0.00 1.63 -0.73 0.00 0.00 179.01 178.12 1eav n LYS 40 N -5.51 0.07 -0.11 1.92 5.02 -0.68 -0.17 118.16 118.70 1eav n LYS 40 Ca -0.16 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1eav n LYS 40 Cb 0.51 -1.71 0.29 0.00 -0.02 0.00 0.00 35.03 34.10 1eav n LYS 40 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1eav n LEU 41 N -1.87 2.56 0.00 -0.35 4.77 0.62 -4.66 117.00 118.08 1eav n LEU 41 Ca 0.00 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1eav n LEU 41 Cb 0.06 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1eav n LEU 41 CO 0.07 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 1eav n GLY 42 N 1.32 0.74 0.99 -0.72 0.00 0.76 -4.63 105.19 103.65 1eav n GLY 42 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.49 -2.29 3.30 -0.02 0.00 0.59 -4.82 105.19 99.46 1eav n GLY 43 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -0.94 0.02 4.61 0.00 -1.23 -2.28 121.76 121.93 1eav s ALA 44 Ca 0.00 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1eav s ALA 44 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1eav s ALA 44 CO 0.00 -0.43 0.25 0.21 0.00 0.00 0.00 175.76 175.79 1eav s LYS 45 N -2.35 0.68 -0.18 0.00 2.20 -0.20 -4.51 119.74 115.38 1eav s LYS 45 Ca -0.06 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 54.93 1eav s LYS 45 Cb -0.01 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 1eav s LYS 45 CO -0.02 -0.19 0.58 0.08 -0.36 0.00 0.00 175.35 175.44 1eav s VAL 46 N -1.96 5.07 -0.63 4.02 1.01 -1.26 -1.20 120.40 125.45 1eav s VAL 46 Ca -0.09 1.09 0.07 0.00 0.00 0.00 0.00 61.98 63.04 1eav s VAL 46 Cb -0.03 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1eav s VAL 46 CO -0.00 0.17 0.54 1.33 0.00 0.00 0.00 175.10 177.14 1eav n VAL 47 N 4.45 0.00 -3.58 2.92 0.24 0.36 -4.94 118.33 117.78 1eav n VAL 47 Ca -0.03 -0.44 -0.14 0.00 -2.04 0.00 0.00 64.34 61.69 1eav n VAL 47 Cb 0.50 1.09 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.96 -1.85 0.11 2.33 0.00 -1.25 -5.05 121.76 115.09 1eav s ALA 48 Ca 0.06 1.62 -0.02 0.00 0.00 0.00 0.00 51.96 53.62 1eav s ALA 48 Cb 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1eav s ALA 48 CO 0.15 -0.32 0.06 0.95 0.00 0.00 0.00 175.76 176.59 1eav s THR 49 N -0.63 0.13 0.26 0.00 -4.23 -1.26 -1.72 115.64 108.19 1eav s THR 49 Ca -0.04 -1.81 -0.19 0.00 -1.18 0.00 0.00 61.69 58.47 1eav s THR 49 Cb -0.02 -1.86 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1eav s THR 49 CO 0.03 -0.60 0.64 0.00 -0.54 0.00 0.00 174.62 174.15 1eav s ALA 50 N -4.00 -0.99 0.01 3.99 0.00 -0.71 -4.94 121.76 115.12 1eav s ALA 50 Ca 0.18 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1eav s ALA 50 Cb 0.07 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1eav s ALA 50 CO -0.02 -0.96 -0.11 0.08 0.00 0.00 0.00 175.76 174.76 1eav s VAL 51 N -3.93 0.84 0.07 0.00 1.01 -1.26 -0.62 120.40 116.51 1eav s VAL 51 Ca 0.13 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1eav s VAL 51 Cb -0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 1eav s VAL 51 CO 0.05 0.13 0.09 0.68 0.00 0.00 0.00 175.10 176.05 1eav s VAL 52 N -0.46 0.17 0.99 2.92 -7.23 -0.85 -4.96 120.40 110.98 1eav s VAL 52 Ca 0.02 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.62 1eav s VAL 52 Cb -0.05 -1.35 0.20 0.00 0.56 0.00 0.00 36.38 35.74 1eav s VAL 52 CO 0.00 -0.78 1.26 -2.16 -0.31 0.00 0.00 175.10 173.11 1eav s PRO 53 N -3.70 0.45 -1.23 4.82 0.04 -1.26 -1.67 135.00 132.44 1eav s PRO 53 Ca 0.04 -0.25 -0.19 0.00 0.04 0.00 0.00 61.00 60.64 1eav s PRO 53 Cb 0.05 -1.81 0.06 0.00 0.04 0.00 0.00 34.50 32.85 1eav s PRO 53 CO -0.10 -2.57 1.67 -0.51 0.04 0.00 0.00 177.00 175.54 1eav s ASP 54 N -4.62 6.75 -0.16 6.66 1.01 -1.26 -4.50 116.67 120.56 1eav s ASP 54 Ca 0.72 -2.21 -0.08 0.00 0.71 0.00 0.00 52.55 51.69 1eav s ASP 54 Cb -0.06 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.35 1eav s ASP 54 CO 0.53 -1.26 0.38 -1.61 0.21 0.00 0.00 175.17 173.42 1eav s GLU 55 N 4.42 0.35 0.19 8.23 2.02 -1.26 -4.92 118.70 127.73 1eav s GLU 55 Ca 0.52 0.74 -0.10 0.00 0.02 0.00 0.00 54.97 56.15 1eav s GLU 55 Cb 0.03 -0.04 0.12 0.00 0.10 0.00 0.00 34.13 34.34 1eav s GLU 55 CO 0.04 -0.16 1.77 -0.39 0.02 0.00 0.00 175.26 176.54 1eav h VAL 56 N 5.62 1.24 -0.42 2.63 -1.51 -1.89 -0.37 116.25 121.55 1eav h VAL 56 Ca -0.37 -0.69 -0.07 0.00 -1.23 0.00 0.00 66.70 64.34 1eav h VAL 56 Cb 1.18 0.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.72 1eav h VAL 56 CO 0.31 0.28 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.59 1eav h GLU 57 N 0.98 0.68 -0.11 5.19 4.39 -1.98 0.11 114.58 123.83 1eav h GLU 57 Ca 0.24 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 1eav h GLU 57 Cb 0.15 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1eav h GLU 57 CO -0.03 0.71 -0.35 0.00 -1.16 0.00 0.00 179.01 178.18 1eav h ARG 58 N 0.64 0.23 -0.08 2.33 2.47 -1.58 -2.26 114.38 116.13 1eav h ARG 58 Ca 0.13 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.68 1eav h ARG 58 Cb 0.42 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1eav h ARG 58 CO 0.02 0.56 -0.23 0.82 0.56 0.00 0.00 179.97 181.70 1eav h ILE 59 N 0.20 1.42 -0.36 2.04 2.04 0.37 -3.25 117.51 119.97 1eav h ILE 59 Ca 0.02 -1.59 0.08 0.00 1.00 0.00 0.00 64.86 64.37 1eav h ILE 59 Cb 0.72 2.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.98 1eav h ILE 59 CO 0.05 0.45 -0.18 0.11 0.00 0.00 0.00 178.15 178.59 1eav h LYS 60 N -0.20 -0.11 -0.40 2.37 1.57 -0.75 -2.22 116.57 116.83 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 0.85 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.11 1eav h LYS 60 CO 0.05 -0.07 -0.11 -0.44 -0.57 0.00 0.00 179.45 178.30 1eav h ASP 61 N -0.12 -0.40 -0.56 0.86 3.32 -1.48 0.39 116.42 118.43 1eav h ASP 61 Ca 0.18 0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 1eav h ASP 61 Cb 0.39 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 1eav h ASP 61 CO -0.43 -0.14 -0.05 0.40 -1.72 0.00 0.00 179.24 177.29 1eav h ILE 62 N -0.01 1.27 -0.77 0.35 1.08 -1.49 0.43 117.51 118.36 1eav h ILE 62 Ca 0.19 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 1eav h ILE 62 Cb 0.31 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1eav h ILE 62 CO -0.42 0.43 0.49 -0.07 -0.69 0.00 0.00 178.15 177.89 1eav h LEU 63 N 0.91 0.90 0.72 1.44 3.38 -0.64 0.28 115.31 122.31 1eav h LEU 63 Ca 0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1eav h LEU 63 Cb 0.61 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1eav h LEU 63 CO 0.04 0.67 -0.35 1.56 0.09 0.00 0.00 178.44 180.45 1eav h GLN 64 N 1.05 -0.93 -0.55 1.13 4.20 0.15 0.70 115.11 120.86 1eav h GLN 64 Ca 0.28 0.06 0.09 0.00 0.06 0.00 0.00 58.65 59.15 1eav h GLN 64 Cb -0.09 0.21 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 1eav h GLN 64 CO -0.06 -0.62 0.14 -0.22 -0.67 0.00 0.00 178.83 177.40 1eav h LYS 65 N -1.05 0.28 0.00 1.46 3.64 0.29 0.71 116.57 121.91 1eav h LYS 65 Ca -0.10 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 1eav h LYS 65 Cb 0.74 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1eav h LYS 65 CO 0.16 0.18 -0.53 -1.49 -2.27 0.00 0.00 179.45 175.50 1eav h TRP 66 N 0.29 0.00 0.00 1.91 6.55 -0.38 0.08 115.95 124.39 1eav h TRP 66 Ca 0.28 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.12 1eav h TRP 66 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1eav h TRP 66 CO -0.21 0.53 -0.00 0.77 -1.05 0.00 0.00 178.44 178.48 1eav h SER 67 N 0.00 -0.00 0.31 -3.49 0.02 0.34 -2.87 113.55 107.85 1eav h SER 67 Ca -0.01 -0.96 -0.33 0.00 -0.84 0.00 0.00 61.79 59.66 1eav h SER 67 Cb 1.00 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.55 1eav h SER 67 CO 0.07 0.97 -1.61 0.44 -1.14 0.00 0.00 176.83 175.56 1eav h ASP 68 N -0.99 0.57 0.02 3.07 3.32 -0.90 -3.28 116.42 118.23 1eav h ASP 68 Ca -0.00 -0.77 -0.35 0.00 0.02 0.00 0.00 57.03 55.92 1eav h ASP 68 Cb 0.96 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.27 1eav h ASP 68 CO 0.00 1.64 -1.96 0.52 -1.72 0.00 0.00 179.24 177.71 1eav n VAL 69 N -3.56 1.56 0.69 -1.35 0.31 -0.02 -4.45 118.33 111.51 1eav n VAL 69 Ca -0.20 -0.31 0.13 0.00 -0.01 0.00 0.00 64.34 63.95 1eav n VAL 69 Cb 1.07 -1.87 0.31 0.00 -0.91 0.00 0.00 33.84 32.44 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 -4.10 0.64 -1.72 4.52 8.00 -1.01 -5.05 116.55 117.83 1eav n ASP 70 Ca -0.42 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1eav n ASP 70 Cb 0.84 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 -2.02 -3.49 0.00 -1.24 1.02 -1.08 -5.01 120.64 108.82 1eav n GLU 71 Ca 0.05 2.53 0.00 0.00 -0.02 0.00 0.00 57.16 59.72 1eav n GLU 71 Cb 0.41 -2.98 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 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 0.20 2.61 -3.58 1.62 8.00 0.16 -4.96 116.55 120.59 1eav n ASP 73 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1eav n ASP 73 Cb 0.00 0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.48 -0.45 -0.18 0.64 2.96 -0.33 -1.35 118.68 117.49 1eav s LEU 74 Ca 0.00 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1eav s LEU 74 Cb 0.00 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.62 1eav s LEU 74 CO 0.00 -0.26 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.05 1eav s ILE 75 N 2.49 3.18 -0.13 6.68 1.01 -0.23 -1.18 121.20 133.03 1eav s ILE 75 Ca 0.03 -0.58 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1eav s ILE 75 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1eav s ILE 75 CO -0.12 0.47 -0.03 -0.76 0.00 0.00 0.00 174.94 174.51 1eav s LEU 76 N 0.99 3.33 0.10 2.97 1.43 -0.43 -1.35 118.68 125.72 1eav s LEU 76 Ca -0.01 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 1eav s LEU 76 Cb -0.15 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1eav s LEU 76 CO -0.01 0.25 -0.11 0.42 0.23 0.00 0.00 176.35 177.14 1eav s THR 77 N -0.12 3.33 -0.07 5.49 -4.23 -0.50 -0.72 115.64 118.81 1eav s THR 77 Ca 0.03 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1eav s THR 77 Cb -0.13 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.18 1eav s THR 77 CO 0.02 0.13 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.37 1eav s LEU 78 N -2.14 1.51 0.00 4.79 1.43 0.79 -4.51 118.68 120.55 1eav s LEU 78 Ca 0.21 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1eav s LEU 78 Cb -0.11 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.32 1eav s LEU 78 CO 0.13 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1eav n GLY 79 N 4.10 0.20 2.30 -3.19 0.00 -1.26 0.38 105.19 107.73 1eav n GLY 79 Ca -0.21 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 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 0.44 1.15 0.92 -0.02 0.00 -1.26 -4.69 105.19 101.72 1eav n GLY 80 Ca 0.00 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.74 0.94 -1.20 2.61 -2.24 -1.26 -1.13 114.28 109.26 1eav n THR 81 Ca -0.11 -0.97 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1eav n THR 81 Cb 0.36 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.98 0.99 0.00 3.38 0.00 -1.26 -0.42 105.19 108.86 1eav n GLY 82 Ca 0.16 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.42 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 0.03 -1.62 1.61 3.01 -1.26 -4.75 117.46 114.49 1eav n PHE 83 Ca 0.00 0.01 -0.40 0.00 1.01 0.00 0.00 57.45 58.07 1eav n PHE 83 Cb 0.00 -0.14 0.03 0.00 -0.01 0.00 0.00 39.48 39.36 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 -1.60 2.92 0.26 4.37 -1.04 -1.26 -4.87 114.28 113.06 1eav n THR 84 Ca 0.04 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.68 1eav n THR 84 Cb 0.36 -1.18 0.70 0.00 -1.82 0.00 0.00 70.33 68.39 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 1.14 0.00 0.00 -2.82 0.11 -2.03 -2.29 132.00 126.11 1eav h PRO 85 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1eav h PRO 85 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1eav h PRO 85 CO 0.54 0.13 -0.03 0.54 -0.21 0.00 0.00 178.00 178.97 1eav n ARG 86 N -3.53 0.09 -2.25 1.05 5.12 -1.26 -4.76 116.66 111.11 1eav n ARG 86 Ca -0.01 0.07 -0.43 0.00 -1.93 0.00 0.00 57.85 55.55 1eav n ARG 86 Cb 0.27 -1.60 -0.02 0.00 -1.16 0.00 0.00 32.46 29.94 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 -3.52 6.47 -0.00 0.55 1.01 -0.86 -4.77 116.67 115.54 1eav s ASP 87 Ca 0.13 1.37 0.00 0.00 0.71 0.00 0.00 52.55 54.76 1eav s ASP 87 Cb 0.17 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.56 1eav s ASP 87 CO 0.56 -1.23 0.57 1.33 0.21 0.00 0.00 175.17 176.61 1eav n VAL 88 N 6.44 0.10 -0.18 -1.27 0.24 -0.80 -4.83 118.33 118.02 1eav n VAL 88 Ca 0.17 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.34 62.32 1eav n VAL 88 Cb 0.46 0.93 0.05 0.00 -1.47 0.00 0.00 33.84 33.81 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 2.84 1.05 -0.61 3.34 2.02 -1.40 -0.10 112.91 120.05 1eav h THR 89 Ca 0.00 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1eav h THR 89 Cb 0.97 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1eav h THR 89 CO 0.00 0.12 0.13 -0.65 0.37 0.00 0.00 175.52 175.48 1eav h PRO 90 N 0.64 0.96 -0.47 6.66 0.11 -1.85 0.41 132.00 138.45 1eav h PRO 90 Ca 0.22 -0.22 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1eav h PRO 90 Cb 0.03 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1eav h PRO 90 CO -0.10 0.87 0.09 0.93 -0.21 0.00 0.00 178.00 179.58 1eav h GLU 91 N 0.92 0.73 -0.41 1.05 3.07 -1.49 -0.26 114.58 118.19 1eav h GLU 91 Ca 0.19 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 58.76 1eav h GLU 91 Cb 0.36 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1eav h GLU 91 CO 0.00 0.67 -0.33 0.00 -1.40 0.00 0.00 179.01 177.95 1eav h ALA 92 N 1.40 0.63 0.00 3.43 0.00 0.89 -2.55 119.26 123.07 1eav h ALA 92 Ca 0.15 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1eav h ALA 92 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1eav h ALA 92 CO 0.00 0.68 -0.28 1.15 0.00 0.00 0.00 179.25 180.79 1eav h THR 93 N 0.78 1.11 -0.02 0.00 2.02 0.39 -2.84 112.91 114.35 1eav h THR 93 Ca 0.08 -1.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.10 1eav h THR 93 Cb 0.92 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.87 1eav h THR 93 CO 0.09 0.28 -0.69 0.11 0.37 0.00 0.00 175.52 175.67 1eav h LYS 94 N 0.00 0.13 0.00 6.66 1.57 -0.65 -2.58 116.57 121.70 1eav h LYS 94 Ca -0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1eav h LYS 94 Cb 0.53 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1eav h LYS 94 CO 0.04 0.77 0.00 1.63 -0.57 0.00 0.00 179.45 181.31 1eav n LYS 95 N -3.77 0.05 0.00 3.15 5.02 -1.07 -3.91 118.16 117.62 1eav n LYS 95 Ca -0.02 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1eav n LYS 95 Cb 0.68 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1eav n LYS 95 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1eav n VAL 96 N -1.70 0.00 -2.20 -0.18 0.24 -1.00 -5.03 118.33 108.46 1eav n VAL 96 Ca 0.02 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.82 1eav n VAL 96 Cb 0.13 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.15 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 -1.32 4.48 -0.11 1.34 -4.36 -1.03 -4.77 121.20 115.43 1eav s ILE 97 Ca 0.00 1.08 0.06 0.00 -0.26 0.00 0.00 60.65 61.52 1eav s ILE 97 Cb 0.00 -3.71 -0.11 0.00 1.25 0.00 0.00 42.46 39.89 1eav s ILE 97 CO 0.00 -0.79 -0.03 -0.62 0.24 0.00 0.00 174.94 173.74 1eav n GLU 98 N -1.98 1.53 -3.94 0.37 1.02 0.59 -4.97 120.64 113.26 1eav n GLU 98 Ca 0.07 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.99 1eav n GLU 98 Cb 0.54 -1.25 -0.17 0.00 -0.02 0.00 0.00 31.44 30.54 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 -2.24 1.19 0.51 3.49 0.52 -1.01 -4.97 118.95 116.43 1eav s ARG 99 Ca -0.10 -0.14 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 1eav s ARG 99 Cb 0.04 -1.31 -0.07 0.00 0.52 0.00 0.00 34.95 34.13 1eav s ARG 99 CO 0.36 -0.24 0.94 -1.21 0.02 0.00 0.00 175.30 175.17 1eav s GLU 100 N 1.64 3.83 -0.48 3.54 2.02 -1.26 0.32 118.70 128.31 1eav s GLU 100 Ca 0.02 0.79 0.07 0.00 0.02 0.00 0.00 54.97 55.87 1eav s GLU 100 Cb -0.13 -2.19 0.24 0.00 0.10 0.00 0.00 34.13 32.16 1eav s GLU 100 CO -0.06 -0.28 0.58 0.25 0.02 0.00 0.00 175.26 175.78 1eav n THR 101 N -1.77 0.33 0.29 3.63 -2.24 -1.23 -4.84 114.28 108.45 1eav n THR 101 Ca 0.05 -4.40 0.18 0.00 -2.27 0.00 0.00 64.05 57.61 1eav n THR 101 Cb 0.54 -2.00 0.84 0.00 -2.10 0.00 0.00 70.33 67.62 1eav n THR 101 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1eav h PRO 102 N 4.18 0.00 -0.91 -0.78 0.13 -1.96 -1.58 132.00 131.08 1eav h PRO 102 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1eav h PRO 102 Cb 0.81 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.89 1eav h PRO 102 CO 0.59 0.04 0.57 0.78 -0.23 0.00 0.00 178.00 179.75 1eav h GLY 103 N 1.17 1.30 0.89 1.56 0.00 -1.99 0.15 103.07 106.15 1eav h GLY 103 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1eav h GLY 103 CO 0.01 0.50 0.01 1.41 0.00 0.00 0.00 176.54 178.47 1eav h LEU 104 N 1.24 0.04 -1.39 3.11 3.38 -1.72 -0.26 115.31 119.71 1eav h LEU 104 Ca 0.33 -0.12 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1eav h LEU 104 Cb -0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 1eav h LEU 104 CO -0.07 0.15 0.51 -0.07 0.09 0.00 0.00 178.44 179.05 1eav h LEU 105 N -0.07 0.61 -0.23 1.67 3.38 -1.49 -1.22 115.31 117.97 1eav h LEU 105 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1eav h LEU 105 Cb 0.12 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1eav h LEU 105 CO -0.00 0.36 0.01 0.15 0.09 0.00 0.00 178.44 179.05 1eav h PHE 106 N 0.67 0.43 -0.26 1.13 3.57 0.14 -3.41 116.94 119.22 1eav h PHE 106 Ca 0.36 -0.07 -0.15 0.00 3.53 0.00 0.00 57.97 61.65 1eav h PHE 106 Cb 0.50 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1eav h PHE 106 CO -0.00 0.56 0.48 0.08 -2.23 0.00 0.00 178.31 177.20 1eav s VAL 107 N -5.03 3.24 0.00 1.41 1.01 -0.19 -4.64 120.40 116.20 1eav s VAL 107 Ca -0.14 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1eav s VAL 107 Cb 0.07 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1eav s VAL 107 CO 0.74 -0.44 0.00 1.67 0.00 0.00 0.00 175.10 177.07 1eav n GLN 110 N 8.21 0.00 -0.34 2.72 7.27 -1.26 -4.52 117.38 129.46 1eav n GLN 110 Ca 0.43 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.49 1eav n GLN 110 Cb 0.47 0.00 0.13 0.00 2.41 0.00 0.00 30.24 33.24 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 1.12 0.00 3.69 4.39 -1.96 -2.58 114.58 119.23 1eav h GLU 111 Ca 0.00 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 1eav h GLU 111 Cb 0.00 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.38 1eav h GLU 111 CO 0.00 0.74 -0.43 0.66 -1.16 0.00 0.00 179.01 178.82 1eav h SER 112 N 1.15 0.00 0.40 1.42 4.64 -1.94 -0.99 113.55 118.24 1eav h SER 112 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1eav h SER 112 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1eav h SER 112 CO -0.12 0.43 0.00 -0.07 -0.87 0.00 0.00 176.83 176.20 1eav h LEU 113 N 0.00 0.00 0.00 5.97 3.38 -1.60 -0.80 115.31 122.26 1eav h LEU 113 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1eav h LEU 113 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1eav h LEU 113 CO 0.06 0.00 -0.27 0.11 0.09 0.00 0.00 178.44 178.42 1eav h LYS 114 N 0.00 0.00 0.14 1.13 1.57 -1.06 -3.19 116.57 115.16 1eav h LYS 114 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1eav h LYS 114 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1eav h LYS 114 CO 0.00 0.16 -1.81 0.82 -0.57 0.00 0.00 179.45 178.04 1eav h ILE 115 N 0.00 0.84 -1.72 1.86 2.04 -1.23 -3.48 117.51 115.81 1eav h ILE 115 Ca -0.01 -2.50 0.06 0.00 1.00 0.00 0.00 64.86 63.41 1eav h ILE 115 Cb 1.13 2.63 -0.21 0.00 -0.74 0.00 0.00 36.82 39.63 1eav h ILE 115 CO 0.02 0.84 0.47 0.28 0.00 0.00 0.00 178.15 179.76 1eav s THR 116 N -2.58 0.00 0.17 -0.27 -1.32 -0.76 -5.03 115.64 105.85 1eav s THR 116 Ca -0.16 0.00 0.32 0.00 -1.21 0.00 0.00 61.69 60.63 1eav s THR 116 Cb 0.06 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.41 1eav s THR 116 CO 0.82 0.00 1.98 -0.65 -2.21 0.00 0.00 174.62 174.56 1eav h PRO 117 N 2.58 0.00 0.00 7.08 0.11 -1.85 -2.74 132.00 137.18 1eav h PRO 117 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1eav h PRO 117 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1eav h PRO 117 CO 0.33 0.06 0.00 1.19 -0.21 0.00 0.00 178.00 179.36 1eav n PHE 118 N -3.20 0.00 -0.39 0.65 3.01 -1.26 -4.52 117.46 111.75 1eav n PHE 118 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.30 1eav n PHE 118 Cb 0.31 -0.28 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 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 2.34 0.00 4.37 0.00 -1.03 -4.41 120.51 120.49 1eav n ALA 119 Ca 0.07 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1eav n ALA 119 Cb 0.11 -2.90 0.00 0.00 0.00 0.00 0.00 19.45 16.65 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 5.45 0.00 -4.76 0.00 4.77 -1.26 -4.93 117.00 116.27 1eav n LEU 121 Ca 0.24 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.82 1eav n LEU 121 Cb 0.13 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1eav n LEU 121 CO 0.69 0.00 0.82 -0.55 -1.33 0.00 0.00 177.39 177.02 1eav s SER 122 N 0.00 7.12 -0.24 -1.43 0.15 -1.26 -4.36 113.70 113.67 1eav s SER 122 Ca 0.00 2.32 0.11 0.00 0.70 0.00 0.00 55.95 59.08 1eav s SER 122 Cb 0.00 -2.63 0.46 0.00 -1.71 0.00 0.00 66.02 62.14 1eav s SER 122 CO 0.00 -0.26 1.34 0.54 1.20 0.00 0.00 173.24 176.07 1eav n ARG 123 N 0.98 1.74 -1.57 5.44 1.74 0.43 -5.00 116.66 120.42 1eav n ARG 123 Ca -0.00 -3.19 -0.44 0.00 -0.77 0.00 0.00 57.85 53.45 1eav n ARG 123 Cb 0.45 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.12 0.91 -4.63 0.55 7.64 -1.26 -4.73 113.62 110.98 1eav n SER 124 Ca 0.26 1.12 -0.27 0.00 1.01 0.00 0.00 58.87 60.99 1eav n SER 124 Cb 0.86 -1.26 -0.10 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 -1.15 3.21 0.00 -0.43 0.00 -1.26 -4.99 121.76 117.15 1eav s ALA 125 Ca 0.60 -2.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.10 1eav s ALA 125 Cb -0.67 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 22.50 1eav s ALA 125 CO 0.59 -0.07 0.86 0.00 0.00 0.00 0.00 175.76 177.14 1eav s ALA 126 N -2.64 -1.80 0.00 0.00 0.00 -1.26 -1.73 121.76 114.32 1eav s ALA 126 Ca 0.36 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1eav s ALA 126 Cb 0.06 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1eav s ALA 126 CO 0.19 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1eav n GLY 127 N -0.19 -0.91 3.80 0.00 0.00 -0.62 -3.54 105.19 103.73 1eav n GLY 127 Ca -0.10 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 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 -2.00 4.81 -0.09 -0.61 1.01 0.15 -0.56 121.20 123.91 1eav s ILE 128 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.22 1eav s ILE 128 Cb 0.00 -3.23 0.03 0.00 0.01 0.00 0.00 42.46 39.27 1eav s ILE 128 CO 0.00 0.31 -0.01 -0.60 0.00 0.00 0.00 174.94 174.64 1eav s ARG 129 N -1.86 0.79 7.86 2.79 3.52 0.26 -0.30 118.95 132.00 1eav s ARG 129 Ca 0.25 0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 1eav s ARG 129 Cb -0.12 -1.17 0.00 0.00 -1.56 0.00 0.00 34.95 32.10 1eav s ARG 129 CO 0.16 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 1eav n GLY 130 N 5.10 4.01 1.09 8.12 0.00 -1.26 0.29 105.19 122.54 1eav n GLY 130 Ca -0.08 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 9.20 2.71 -4.43 1.61 3.41 -1.26 -4.98 113.62 119.88 1eav n SER 131 Ca 0.00 -3.84 -0.36 0.00 -0.26 0.00 0.00 58.87 54.41 1eav n SER 131 Cb 0.00 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 63.28 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 -3.54 4.06 -0.19 6.66 2.01 0.15 -4.66 115.64 120.12 1eav s THR 132 Ca 0.43 -0.27 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1eav s THR 132 Cb 0.39 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1eav s THR 132 CO -0.03 0.38 0.76 -0.22 -0.69 0.00 0.00 174.62 174.83 1eav s LEU 133 N 1.38 4.16 -0.13 4.42 2.96 -0.46 -0.58 118.68 130.43 1eav s LEU 133 Ca 0.05 1.04 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 1eav s LEU 133 Cb -0.15 -3.11 -0.01 0.00 0.50 0.00 0.00 46.19 43.42 1eav s LEU 133 CO 0.02 -0.36 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.92 1eav s ILE 134 N 2.13 3.03 -0.08 6.68 1.01 0.27 -1.07 121.20 133.18 1eav s ILE 134 Ca 0.35 -0.67 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1eav s ILE 134 Cb -0.16 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.05 1eav s ILE 134 CO 0.11 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 174.84 1eav s ILE 135 N 0.42 1.08 0.61 2.92 1.01 -0.46 -1.58 121.20 125.20 1eav s ILE 135 Ca -0.10 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 1eav s ILE 135 Cb -0.16 -1.01 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1eav s ILE 135 CO 0.05 0.35 0.89 0.20 0.00 0.00 0.00 174.94 176.43 1eav s ASN 136 N 0.93 5.15 0.05 3.58 0.01 -0.71 -1.41 114.94 122.54 1eav s ASN 136 Ca -0.10 0.29 0.05 0.00 -0.71 0.00 0.00 52.86 52.39 1eav s ASN 136 Cb -0.15 -1.11 -0.04 0.00 0.41 0.00 0.00 41.25 40.36 1eav s ASN 136 CO 0.01 -1.30 -0.07 -2.84 -1.51 0.00 0.00 177.10 171.39 1eav s PRO 138 N -4.98 2.42 0.63 -0.60 0.02 -1.26 -4.67 135.00 126.56 1eav s PRO 138 Ca 0.58 -0.83 0.29 0.00 0.02 0.00 0.00 61.00 61.05 1eav s PRO 138 Cb -0.11 -2.45 1.54 0.00 0.02 0.00 0.00 34.50 33.50 1eav s PRO 138 CO 0.42 0.56 1.90 0.78 -0.33 0.00 0.00 177.00 180.33 1eav h GLY 139 N 4.06 0.00 -4.03 0.52 0.00 -1.87 -3.39 103.07 98.37 1eav h GLY 139 Ca -0.48 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.31 1eav h GLY 139 CO 0.54 0.00 0.79 0.70 0.00 0.00 0.00 176.54 178.58 1eav n ASN 140 N -3.27 3.81 0.12 0.19 3.02 -1.26 -4.57 115.26 113.30 1eav n ASN 140 Ca 0.02 1.21 0.06 0.00 -0.03 0.00 0.00 54.58 55.84 1eav n ASN 140 Cb 0.51 -1.62 0.52 0.00 -0.61 0.00 0.00 39.78 38.58 1eav n ASN 140 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1eav h PRO 141 N 3.29 0.29 0.00 3.52 0.11 -1.86 -2.47 132.00 134.88 1eav h PRO 141 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1eav h PRO 141 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1eav h PRO 141 CO 0.67 0.20 -0.45 -0.91 -0.21 0.00 0.00 178.00 177.30 1eav h ASN 142 N 0.30 0.00 -0.05 -2.05 2.35 -1.95 -3.37 115.58 110.82 1eav h ASN 142 Ca 0.08 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 1eav h ASN 142 Cb -0.02 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.29 1eav h ASN 142 CO -0.02 0.18 -0.39 0.00 -1.65 0.00 0.00 177.43 175.55 1eav h ALA 143 N 1.82 -0.58 -0.28 -0.83 0.00 -1.75 0.15 119.26 117.80 1eav h ALA 143 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1eav h ALA 143 Cb 1.15 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1eav h ALA 143 CO 0.02 -0.91 0.20 0.28 0.00 0.00 0.00 179.25 178.84 1eav h VAL 144 N -0.52 0.86 -0.04 0.00 2.07 -1.71 0.27 116.25 117.17 1eav h VAL 144 Ca 0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1eav h VAL 144 Cb 0.62 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1eav h VAL 144 CO -0.33 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.15 1eav h ALA 145 N 1.86 0.07 -0.36 1.67 0.00 -0.94 -3.26 119.26 118.30 1eav h ALA 145 Ca 0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1eav h ALA 145 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1eav h ALA 145 CO -0.00 -0.06 -0.21 0.93 0.00 0.00 0.00 179.25 179.91 1eav h GLU 146 N -0.40 0.77 -0.37 0.00 5.08 -0.21 -1.26 114.58 118.20 1eav h GLU 146 Ca -0.00 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1eav h GLU 146 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1eav h GLU 146 CO 0.02 0.98 0.00 0.00 -1.00 0.00 0.00 179.01 179.01 1eav n GLU 149 N 0.59 0.00 0.07 0.00 2.13 -0.48 -2.27 120.64 120.69 1eav n GLU 149 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1eav n GLU 149 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 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 0.40 0.00 4.31 0.00 -1.69 -3.35 119.26 118.93 1eav h ALA 150 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 54.91 53.98 1eav h ALA 150 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1eav h ALA 150 CO 0.00 0.86 -1.71 1.28 0.00 0.00 0.00 179.25 179.68 1eav n LEU 151 N -3.70 0.60 -0.08 0.00 4.77 -0.96 -4.54 117.00 113.08 1eav n LEU 151 Ca -0.06 0.27 0.17 0.00 -0.03 0.00 0.00 56.01 56.36 1eav n LEU 151 Cb 0.84 0.16 0.59 0.00 -2.33 0.00 0.00 43.42 42.68 1eav n LEU 151 CO 0.50 0.23 1.19 0.25 -1.33 0.00 0.00 177.39 178.24 1eav h LEU 152 N 0.00 0.20 -1.55 2.23 5.85 -1.85 0.68 115.31 120.87 1eav h LEU 152 Ca -0.24 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1eav h LEU 152 Cb 1.71 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.71 1eav h LEU 152 CO 0.04 0.11 0.00 -0.65 -0.34 0.00 0.00 178.44 177.60 1eav h PRO 153 N 0.22 0.00 0.00 5.25 0.11 -1.82 -3.30 132.00 132.46 1eav h PRO 153 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 1eav h PRO 153 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1eav h PRO 153 CO -0.06 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.73 1eav n ALA 154 N -1.81 0.27 0.24 -0.75 0.00 0.16 -4.79 120.51 113.83 1eav n ALA 154 Ca -0.01 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.52 1eav n ALA 154 Cb 0.05 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.11 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 0.82 0.00 5.85 -1.45 0.20 115.31 120.73 1eav h LEU 155 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1eav h LEU 155 Cb 0.05 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.08 1eav h LEU 155 CO 0.00 0.18 -0.39 0.50 -0.34 0.00 0.00 178.44 178.39 1eav h LYS 156 N 0.00 -1.06 -0.29 1.25 3.64 -1.82 -0.43 116.57 117.86 1eav h LYS 156 Ca -0.00 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1eav h LYS 156 Cb 0.47 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1eav h LYS 156 CO 0.02 -0.70 0.19 1.25 -2.27 0.00 0.00 179.45 177.95 1eav h HIS 157 N -1.26 0.33 -0.64 1.91 2.76 -1.81 -0.67 115.15 115.78 1eav h HIS 157 Ca -0.11 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.07 1eav h HIS 157 Cb 0.85 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.67 1eav h HIS 157 CO -0.00 0.21 0.42 0.00 -1.30 0.00 0.00 177.93 177.26 1eav h ALA 158 N 1.82 0.81 0.02 5.26 0.00 -0.28 -1.38 119.26 125.51 1eav h ALA 158 Ca 0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.77 1eav h ALA 158 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1eav h ALA 158 CO -0.02 0.25 -0.95 -0.07 0.00 0.00 0.00 179.25 178.45 1eav h LEU 159 N 0.87 0.09 -0.25 0.00 3.38 0.40 -3.18 115.31 116.62 1eav h LEU 159 Ca 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1eav h LEU 159 Cb -0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1eav h LEU 159 CO -0.05 0.99 0.12 0.50 0.09 0.00 0.00 178.44 180.09 1eav h LYS 160 N 0.02 0.36 0.00 1.13 3.64 -1.15 -2.33 116.57 118.24 1eav h LYS 160 Ca -0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1eav h LYS 160 Cb 1.66 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1eav h LYS 160 CO 0.13 0.36 -0.01 1.96 -2.27 0.00 0.00 179.45 179.63 1eav h GLN 161 N 0.27 0.00 -0.00 1.90 4.20 -1.24 -3.51 115.11 116.72 1eav h GLN 161 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1eav h GLN 161 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1eav h GLN 161 CO -0.01 0.01 0.00 -0.89 -0.67 0.00 0.00 178.83 177.26