#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwk s THR 7 N 0.00 3.73 0.22 2.62 2.01 -1.26 -1.31 115.64 121.65 2cwk s THR 7 Ca 0.00 1.31 0.02 0.00 0.31 0.00 0.00 61.69 63.34 2cwk s THR 7 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2cwk s THR 7 CO 0.00 0.14 0.02 -1.61 -0.69 0.00 0.00 174.62 172.48 2cwk s GLU 8 N 0.61 1.28 -0.03 4.92 2.02 -0.36 -4.89 118.70 122.24 2cwk s GLU 8 Ca 0.58 -1.65 0.06 0.00 0.02 0.00 0.00 54.97 53.98 2cwk s GLU 8 Cb -0.32 -0.42 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 2cwk s GLU 8 CO 0.32 -0.15 -0.22 1.03 0.02 0.00 0.00 175.26 176.26 2cwk s ARG 9 N -3.92 1.95 0.09 1.61 0.52 -1.26 -1.38 118.95 116.56 2cwk s ARG 9 Ca 0.29 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2cwk s ARG 9 Cb 0.06 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.70 2cwk s ARG 9 CO 0.08 0.42 -0.08 -0.08 0.02 0.00 0.00 175.30 175.66 2cwk s THR 10 N -0.36 0.77 -0.17 0.02 -1.32 -0.19 -4.76 115.64 109.63 2cwk s THR 10 Ca 0.04 -1.69 -0.09 0.00 -1.21 0.00 0.00 61.69 58.74 2cwk s THR 10 Cb -0.10 -1.39 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 2cwk s THR 10 CO 0.01 -0.68 0.14 -0.22 -2.21 0.00 0.00 174.62 171.66 2cwk s LEU 11 N -2.60 4.28 -0.02 9.08 2.96 -1.26 -1.16 118.68 129.96 2cwk s LEU 11 Ca 0.06 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.36 2cwk s LEU 11 Cb -0.00 -2.10 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 2cwk s LEU 11 CO -0.02 0.26 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.39 2cwk s VAL 12 N -0.15 1.53 -0.15 1.68 1.01 0.12 -1.95 120.40 122.49 2cwk s VAL 12 Ca 0.11 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2cwk s VAL 12 Cb -0.11 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.00 2cwk s VAL 12 CO 0.01 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.73 2cwk s ILE 13 N -0.32 1.81 -0.55 2.22 1.01 -0.64 -0.90 121.20 123.83 2cwk s ILE 13 Ca 0.04 -0.80 -0.24 0.00 0.00 0.00 0.00 60.65 59.65 2cwk s ILE 13 Cb -0.09 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.78 2cwk s ILE 13 CO 0.00 0.50 0.92 -0.63 0.00 0.00 0.00 174.94 175.73 2cwk s ILE 14 N 1.19 4.43 0.93 2.92 1.01 0.31 -0.56 121.20 131.42 2cwk s ILE 14 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2cwk s ILE 14 Cb -0.14 -4.52 0.15 0.00 0.01 0.00 0.00 42.46 37.96 2cwk s ILE 14 CO -0.08 -1.10 1.09 -0.54 0.00 0.00 0.00 174.94 174.31 2cwk s LYS 15 N 3.84 0.96 0.34 2.79 1.02 -0.48 -2.38 119.74 125.84 2cwk s LYS 15 Ca 0.29 0.98 0.12 0.00 0.02 0.00 0.00 55.97 57.38 2cwk s LYS 15 Cb -0.13 -1.76 0.95 0.00 -0.52 0.00 0.00 37.83 36.36 2cwk s LYS 15 CO 0.18 -2.49 1.75 -1.35 -0.92 0.00 0.00 175.35 172.52 2cwk h PRO 16 N -1.74 0.52 -0.78 -1.68 0.11 -1.82 -0.30 132.00 126.31 2cwk h PRO 16 Ca -0.50 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2cwk h PRO 16 Cb 1.28 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2cwk h PRO 16 CO 0.51 0.34 0.31 0.38 -0.21 0.00 0.00 178.00 179.34 2cwk h ASP 17 N 0.54 1.08 -0.40 -2.05 2.03 -1.90 0.19 116.42 115.90 2cwk h ASP 17 Ca 0.62 -0.17 -0.15 0.00 -0.73 0.00 0.00 57.03 56.60 2cwk h ASP 17 Cb 1.29 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 2cwk h ASP 17 CO -0.40 0.95 -0.35 0.00 -1.03 0.00 0.00 179.24 178.41 2cwk h ALA 18 N 1.20 0.61 -0.06 4.15 0.00 -1.30 -1.96 119.26 121.90 2cwk h ALA 18 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2cwk h ALA 18 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2cwk h ALA 18 CO -0.02 0.68 0.01 0.28 0.00 0.00 0.00 179.25 180.20 2cwk h VAL 19 N 0.79 1.21 -0.83 0.00 2.07 -1.06 -0.74 116.25 117.69 2cwk h VAL 19 Ca 0.07 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2cwk h VAL 19 Cb 0.94 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 2cwk h VAL 19 CO 0.09 0.18 0.55 0.58 0.02 0.00 0.00 177.57 178.99 2cwk h VAL 20 N -0.14 1.18 -0.03 2.57 2.07 -0.96 -2.03 116.25 118.91 2cwk h VAL 20 Ca 0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2cwk h VAL 20 Cb 0.28 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2cwk h VAL 20 CO 0.00 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.33 2cwk n ARG 21 N -4.43 1.24 -3.15 1.57 1.74 -0.74 -4.93 116.66 107.97 2cwk n ARG 21 Ca 0.10 -0.36 -0.15 0.00 -0.77 0.00 0.00 57.85 56.68 2cwk n ARG 21 Cb 0.06 -1.43 0.05 0.00 -1.02 0.00 0.00 32.46 30.13 2cwk n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cwk n GLY 22 N 1.00 -0.04 0.82 -0.13 0.00 -0.76 -4.95 105.19 101.13 2cwk n GLY 22 Ca 0.19 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.21 2cwk n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cwk n LEU 23 N -3.35 2.99 0.05 0.99 4.77 -0.33 -4.68 117.00 117.45 2cwk n LEU 23 Ca -0.04 -1.69 -0.12 0.00 -0.03 0.00 0.00 56.01 54.14 2cwk n LEU 23 Cb 0.56 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2cwk n LEU 23 CO 0.42 0.70 0.66 0.40 -1.33 0.00 0.00 177.39 178.23 2cwk h ILE 24 N 2.93 0.32 -0.57 -0.08 2.04 -1.89 -1.78 117.51 118.47 2cwk h ILE 24 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2cwk h ILE 24 Cb 0.77 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2cwk h ILE 24 CO 0.00 0.00 0.37 1.23 0.00 0.00 0.00 178.15 179.75 2cwk h GLY 25 N -0.45 0.81 0.86 5.37 0.00 -1.97 -1.52 103.07 106.17 2cwk h GLY 25 Ca 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.12 2cwk h GLY 25 CO -0.27 0.31 0.50 -2.09 0.00 0.00 0.00 176.54 174.99 2cwk h GLU 26 N 0.78 0.95 -0.06 4.80 4.57 -1.82 -0.38 114.58 123.41 2cwk h GLU 26 Ca 0.21 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.32 2cwk h GLU 26 Cb -0.07 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.30 2cwk h GLU 26 CO -0.04 0.63 -0.03 0.82 -1.18 0.00 0.00 179.01 179.21 2cwk h ILE 27 N 0.98 1.32 -0.90 2.32 2.04 -1.06 -2.97 117.51 119.23 2cwk h ILE 27 Ca 0.32 -1.00 0.03 0.00 1.00 0.00 0.00 64.86 65.21 2cwk h ILE 27 Cb 0.03 1.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.91 2cwk h ILE 27 CO -0.12 0.28 0.58 0.40 0.00 0.00 0.00 178.15 179.29 2cwk h ILE 28 N -0.24 1.17 -0.45 -0.67 2.04 -1.05 -2.07 117.51 116.24 2cwk h ILE 28 Ca 0.01 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2cwk h ILE 28 Cb 0.45 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2cwk h ILE 28 CO 0.01 0.21 0.30 0.28 0.00 0.00 0.00 178.15 178.95 2cwk h SER 29 N 1.15 0.49 -0.42 1.72 0.02 -1.04 -1.16 113.55 114.31 2cwk h SER 29 Ca 0.35 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.22 2cwk h SER 29 Cb -0.03 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2cwk h SER 29 CO -0.11 0.35 0.02 0.03 -1.14 0.00 0.00 176.83 175.98 2cwk h ARG 30 N 0.58 0.81 -0.18 3.45 3.08 -1.21 -0.51 114.38 120.40 2cwk h ARG 30 Ca 0.17 -0.21 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 2cwk h ARG 30 Cb -0.02 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2cwk h ARG 30 CO -0.04 0.80 -0.55 0.74 -1.07 0.00 0.00 179.97 179.85 2cwk h PHE 31 N 0.76 0.90 -0.61 3.04 0.04 -1.24 -2.84 116.94 116.99 2cwk h PHE 31 Ca 0.15 -0.36 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 2cwk h PHE 31 Cb 0.43 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 2cwk h PHE 31 CO 0.02 1.16 0.24 0.93 -0.60 0.00 0.00 178.31 180.06 2cwk h GLU 32 N 0.38 0.92 0.00 1.51 5.08 -1.02 -2.18 114.58 119.27 2cwk h GLU 32 Ca -0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 2cwk h GLU 32 Cb 1.17 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2cwk h GLU 32 CO 0.12 0.78 -0.11 1.57 -1.00 0.00 0.00 179.01 180.36 2cwk h LYS 33 N 0.85 0.00 0.00 2.33 2.10 -1.14 -2.23 116.57 118.48 2cwk h LYS 33 Ca 0.20 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 2cwk h LYS 33 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2cwk h LYS 33 CO -0.02 0.11 -0.30 -0.22 -2.00 0.00 0.00 179.45 177.03 2cwk h LYS 34 N 0.00 0.00 0.00 0.07 1.63 -1.20 -3.47 116.57 113.60 2cwk h LYS 34 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2cwk h LYS 34 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2cwk h LYS 34 CO 0.01 0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.73 2cwk n GLY 35 N 0.36 0.78 3.78 5.01 0.00 -0.84 -5.10 105.19 109.19 2cwk n GLY 35 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2cwk n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cwk s LEU 36 N 0.00 4.06 -0.15 0.99 1.43 -0.86 -4.95 118.68 119.20 2cwk s LEU 36 Ca 0.00 2.14 -0.05 0.00 -1.03 0.00 0.00 54.13 55.20 2cwk s LEU 36 Cb 0.00 -4.24 -0.03 0.00 0.03 0.00 0.00 46.19 41.94 2cwk s LEU 36 CO 0.00 -0.70 0.00 -0.75 0.23 0.00 0.00 176.35 175.13 2cwk s LYS 37 N -2.65 3.65 -0.41 1.70 2.20 -0.35 -4.34 119.74 119.55 2cwk s LYS 37 Ca 0.61 -0.44 -0.25 0.00 -0.36 0.00 0.00 55.97 55.53 2cwk s LYS 37 Cb -0.24 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2cwk s LYS 37 CO 0.30 0.34 0.87 0.42 -0.36 0.00 0.00 175.35 176.92 2cwk s ILE 38 N 0.13 4.59 -1.60 5.43 1.01 -1.26 -0.20 121.20 129.30 2cwk s ILE 38 Ca 0.01 0.88 0.19 0.00 0.00 0.00 0.00 60.65 61.74 2cwk s ILE 38 Cb -0.13 -4.33 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 2cwk s ILE 38 CO 0.02 -0.63 0.93 1.33 0.00 0.00 0.00 174.94 176.59 2cwk n VAL 39 N 6.09 0.00 -3.61 2.92 0.24 -0.45 -4.96 118.33 118.56 2cwk n VAL 39 Ca 0.05 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 2cwk n VAL 39 Cb 0.48 1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 33.98 2cwk n VAL 39 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2cwk s GLY 40 N -2.23 -0.33 -0.23 7.63 0.00 -1.23 -0.56 107.32 110.38 2cwk s GLY 40 Ca 0.14 2.24 -0.28 0.00 0.00 0.00 0.00 44.72 46.83 2cwk s GLY 40 CO 0.51 1.59 1.06 -0.29 0.00 0.00 0.00 173.10 175.97 2cwk s MET 41 N -0.09 0.50 -0.17 2.90 0.00 -1.26 -0.79 119.30 120.38 2cwk s MET 41 Ca -0.00 0.32 -0.30 0.00 0.00 0.00 0.00 55.69 55.71 2cwk s MET 41 Cb -0.04 0.24 0.13 0.00 0.00 0.00 0.00 34.83 35.16 2cwk s MET 41 CO -0.01 -0.11 1.04 -1.59 0.00 0.00 0.00 175.02 174.35 2cwk s LYS 42 N -0.47 0.53 -0.16 4.11 -2.85 -0.59 -5.01 119.74 115.30 2cwk s LYS 42 Ca 0.01 0.11 -0.16 0.00 -1.00 0.00 0.00 55.97 54.93 2cwk s LYS 42 Cb -0.03 0.25 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 2cwk s LYS 42 CO -0.03 -0.17 0.41 1.41 0.10 0.00 0.00 175.35 177.07 2cwk s MET 43 N -1.17 4.27 0.08 1.78 -2.45 -1.26 -1.31 119.30 119.23 2cwk s MET 43 Ca -0.00 0.29 -0.00 0.00 -1.25 0.00 0.00 55.69 54.72 2cwk s MET 43 Cb -0.01 -3.47 -0.04 0.00 1.25 0.00 0.00 34.83 32.57 2cwk s MET 43 CO 0.00 0.11 -0.02 0.96 1.05 0.00 0.00 175.02 177.12 2cwk s ILE 44 N 0.82 0.28 -0.38 10.11 -4.36 -0.58 -4.97 121.20 122.13 2cwk s ILE 44 Ca 0.22 -1.86 -0.01 0.00 -0.26 0.00 0.00 60.65 58.74 2cwk s ILE 44 Cb -0.14 -1.67 0.10 0.00 1.25 0.00 0.00 42.46 41.99 2cwk s ILE 44 CO 0.08 -0.85 0.14 0.86 0.24 0.00 0.00 174.94 175.41 2cwk s TRP 45 N -3.89 3.58 0.24 1.37 -0.11 -1.26 -0.46 118.94 118.41 2cwk s TRP 45 Ca 0.12 -2.47 -0.31 0.00 1.22 0.00 0.00 56.10 54.66 2cwk s TRP 45 Cb 0.07 -3.00 -0.11 0.00 -1.50 0.00 0.00 33.47 28.94 2cwk s TRP 45 CO -0.06 -0.94 1.61 0.42 -4.62 0.00 0.00 176.95 173.35 2cwk s ILE 46 N 1.10 2.24 0.50 5.86 1.01 -1.26 -5.01 121.20 125.64 2cwk s ILE 46 Ca 0.07 0.18 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2cwk s ILE 46 Cb -0.22 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2cwk s ILE 46 CO -0.05 0.02 0.78 1.51 0.00 0.00 0.00 174.94 177.21 2cwk s ASP 47 N 0.80 6.01 0.23 3.58 1.47 -1.26 -4.62 116.67 122.89 2cwk s ASP 47 Ca 0.67 0.74 -0.06 0.00 1.18 0.00 0.00 52.55 55.08 2cwk s ASP 47 Cb -0.47 -1.97 0.30 0.00 -0.34 0.00 0.00 42.92 40.44 2cwk s ASP 47 CO 0.39 -0.71 1.85 0.03 0.68 0.00 0.00 175.17 177.41 2cwk h ARG 48 N 0.17 0.93 -0.76 2.11 3.08 -1.95 -1.05 114.38 116.91 2cwk h ARG 48 Ca -0.47 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 2cwk h ARG 48 Cb 1.23 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.03 2cwk h ARG 48 CO 0.61 0.61 0.33 0.93 -1.07 0.00 0.00 179.97 181.39 2cwk h GLU 49 N 0.96 1.11 -0.50 0.04 5.08 -1.99 -0.39 114.58 118.89 2cwk h GLU 49 Ca 0.35 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 2cwk h GLU 49 Cb 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2cwk h GLU 49 CO -0.16 0.89 -0.11 1.25 -1.00 0.00 0.00 179.01 179.88 2cwk h LEU 50 N 1.08 0.96 -0.89 1.33 5.85 -1.84 -2.26 115.31 119.54 2cwk h LEU 50 Ca 0.26 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 2cwk h LEU 50 Cb 0.17 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2cwk h LEU 50 CO -0.03 1.10 0.43 0.00 -0.34 0.00 0.00 178.44 179.60 2cwk h ALA 51 N 0.90 1.14 0.00 1.25 0.00 -0.86 -1.01 119.26 120.68 2cwk h ALA 51 Ca 0.13 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2cwk h ALA 51 Cb 0.67 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2cwk h ALA 51 CO 0.05 0.66 -0.33 0.93 0.00 0.00 0.00 179.25 180.56 2cwk h GLU 52 N 1.21 0.00 -0.11 0.00 5.08 -0.88 -0.96 114.58 118.93 2cwk h GLU 52 Ca 0.30 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2cwk h GLU 52 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 2cwk h GLU 52 CO -0.04 0.33 -0.52 0.87 -1.00 0.00 0.00 179.01 178.65 2cwk h LYS 53 N 0.00 0.54 -0.58 2.33 1.57 -0.79 -1.16 116.57 118.47 2cwk h LYS 53 Ca -0.00 -0.44 0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2cwk h LYS 53 Cb 0.72 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 2cwk h LYS 53 CO 0.04 1.07 0.36 1.25 -0.57 0.00 0.00 179.45 181.60 2cwk h HIS 54 N 0.15 0.68 -0.99 -1.35 2.76 -0.84 -2.66 115.15 112.91 2cwk h HIS 54 Ca -0.04 0.02 -0.52 0.00 -2.20 0.00 0.00 60.37 57.63 2cwk h HIS 54 Cb 1.16 -0.22 -0.30 0.00 1.55 0.00 0.00 27.41 29.60 2cwk h HIS 54 CO 0.11 0.40 0.65 0.66 -1.30 0.00 0.00 177.93 178.46 2cwk n TYR 55 N -4.73 3.04 -0.28 5.26 4.01 -0.40 -4.70 117.16 119.37 2cwk n TYR 55 Ca 0.05 -1.91 0.24 0.00 -0.16 0.00 0.00 57.90 56.12 2cwk n TYR 55 Cb 0.06 -0.97 0.57 0.00 -0.31 0.00 0.00 39.34 38.70 2cwk n TYR 55 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 2cwk h GLU 56 N 1.05 0.28 0.00 -0.72 4.11 -0.83 -0.45 114.58 118.02 2cwk h GLU 56 Ca 0.63 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 60.04 2cwk h GLU 56 Cb 2.74 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.93 2cwk h GLU 56 CO 1.12 0.19 -0.01 1.05 0.07 0.00 0.00 179.01 181.43 2cwk h GLU 57 N 0.29 0.00 -0.38 1.06 4.11 -1.87 -2.57 114.58 115.22 2cwk h GLU 57 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.96 2cwk h GLU 57 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 2cwk h GLU 57 CO -0.18 0.01 0.00 0.72 0.07 0.00 0.00 179.01 179.62 2cwk n HIS 58 N -3.15 0.50 -0.29 2.06 8.25 -0.18 -4.70 115.22 117.71 2cwk n HIS 58 Ca -0.02 -0.34 0.26 0.00 -0.26 0.00 0.00 57.72 57.35 2cwk n HIS 58 Cb 0.14 -0.01 0.59 0.00 1.12 0.00 0.00 29.99 31.83 2cwk n HIS 58 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2cwk h ARG 59 N 3.24 0.25 -0.58 -0.41 0.11 -1.50 -0.54 114.38 114.94 2cwk h ARG 59 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2cwk h ARG 59 Cb 0.82 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2cwk h ARG 59 CO 0.00 0.17 0.00 0.39 0.10 0.00 0.00 179.97 180.63 2cwk n GLU 60 N -4.46 2.56 -4.01 0.08 -0.58 -1.26 -4.95 120.64 108.02 2cwk n GLU 60 Ca 0.23 -2.08 -0.32 0.00 -0.42 0.00 0.00 57.16 54.57 2cwk n GLU 60 Cb 0.94 -1.54 -0.06 0.00 -0.57 0.00 0.00 31.44 30.22 2cwk n GLU 60 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2cwk s LYS 61 N -1.42 3.19 0.57 3.49 1.02 -0.21 -5.01 119.74 121.36 2cwk s LYS 61 Ca 0.38 -0.48 0.27 0.00 0.02 0.00 0.00 55.97 56.16 2cwk s LYS 61 Cb 0.21 -2.92 1.51 0.00 -0.52 0.00 0.00 37.83 36.11 2cwk s LYS 61 CO 0.23 0.63 2.02 -1.35 -0.92 0.00 0.00 175.35 175.96 2cwk h PRO 62 N 3.67 0.00 -0.06 -1.68 0.11 -1.92 -1.70 132.00 130.42 2cwk h PRO 62 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2cwk h PRO 62 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2cwk h PRO 62 CO 0.67 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.43 2cwk n PHE 63 N -4.00 0.06 0.07 0.65 1.16 -1.26 -4.49 117.46 109.65 2cwk n PHE 63 Ca 0.06 -0.03 -0.11 0.00 -1.87 0.00 0.00 57.45 55.49 2cwk n PHE 63 Cb 0.50 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.32 2cwk n PHE 63 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2cwk h PHE 64 N 2.89 -0.58 -0.60 2.97 3.57 -1.54 -2.39 116.94 121.27 2cwk h PHE 64 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2cwk h PHE 64 Cb 0.62 0.25 -0.05 0.00 2.79 0.00 0.00 35.95 39.56 2cwk h PHE 64 CO 0.03 -0.31 0.32 -0.22 -2.23 0.00 0.00 178.31 175.90 2cwk h LYS 65 N -0.36 0.58 -0.64 1.11 3.64 -1.81 -1.26 116.57 117.84 2cwk h LYS 65 Ca 0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2cwk h LYS 65 Cb 0.43 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2cwk h LYS 65 CO -0.18 0.38 0.42 0.00 -2.27 0.00 0.00 179.45 177.80 2cwk h ALA 66 N 1.32 1.57 -0.43 5.00 0.00 -1.82 0.42 119.26 125.32 2cwk h ALA 66 Ca 0.27 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2cwk h ALA 66 Cb 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2cwk h ALA 66 CO -0.18 0.39 0.12 1.25 0.00 0.00 0.00 179.25 180.83 2cwk h LEU 67 N 0.84 0.64 -0.47 0.00 5.85 -0.75 -1.01 115.31 120.42 2cwk h LEU 67 Ca 0.24 -0.22 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2cwk h LEU 67 Cb -0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2cwk h LEU 67 CO -0.05 0.70 -0.02 0.40 -0.34 0.00 0.00 178.44 179.12 2cwk h ILE 68 N 0.56 1.26 -0.70 4.05 1.08 -0.36 -1.78 117.51 121.62 2cwk h ILE 68 Ca 0.14 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2cwk h ILE 68 Cb 0.30 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 2cwk h ILE 68 CO -0.00 0.38 0.43 0.44 -0.69 0.00 0.00 178.15 178.70 2cwk h ASP 69 N 0.69 0.84 0.22 1.72 3.32 -0.80 -2.46 116.42 119.96 2cwk h ASP 69 Ca 0.13 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2cwk h ASP 69 Cb 0.53 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2cwk h ASP 69 CO 0.03 0.66 -0.10 0.22 -1.72 0.00 0.00 179.24 178.32 2cwk h TYR 70 N 0.96 -0.27 0.00 4.55 3.20 -1.02 -2.27 116.97 122.13 2cwk h TYR 70 Ca 0.25 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 2cwk h TYR 70 Cb -0.04 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2cwk h TYR 70 CO -0.01 -0.00 0.00 0.97 -1.64 0.00 0.00 178.16 177.47 2cwk h ILE 71 N -0.52 0.00 -0.42 1.81 6.09 -1.29 -2.72 117.51 120.46 2cwk h ILE 71 Ca -0.03 -0.37 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2cwk h ILE 71 Cb 0.39 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.95 2cwk h ILE 71 CO 0.05 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.48 2cwk n THR 72 N -2.81 0.88 -0.28 2.19 -2.24 -0.93 -4.66 114.28 106.43 2cwk n THR 72 Ca 0.01 -0.94 -0.05 0.00 -2.27 0.00 0.00 64.05 60.80 2cwk n THR 72 Cb 0.25 0.60 0.06 0.00 -2.10 0.00 0.00 70.33 69.14 2cwk n THR 72 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2cwk h LYS 73 N 2.75 1.01 -4.15 -0.78 3.64 -1.07 -3.46 116.57 114.51 2cwk h LYS 73 Ca 0.00 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.06 2cwk h LYS 73 Cb 0.79 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.29 2cwk h LYS 73 CO 0.00 0.68 -0.24 0.95 -2.27 0.00 0.00 179.45 178.57 2cwk s THR 74 N -6.09 0.00 0.89 1.00 -4.23 -1.26 -5.13 115.64 100.82 2cwk s THR 74 Ca -0.13 -1.64 -0.10 0.00 -1.18 0.00 0.00 61.69 58.64 2cwk s THR 74 Cb 0.15 -2.55 0.13 0.00 1.34 0.00 0.00 72.50 71.57 2cwk s THR 74 CO 0.78 0.00 1.13 -2.84 -0.54 0.00 0.00 174.62 173.15 2cwk s PRO 75 N -3.34 1.21 0.30 3.99 0.02 -1.26 -4.69 135.00 131.23 2cwk s PRO 75 Ca 0.31 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.75 2cwk s PRO 75 Cb 0.00 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.72 2cwk s PRO 75 CO 0.18 -2.45 0.11 0.14 -0.33 0.00 0.00 177.00 174.65 2cwk s VAL 76 N -2.71 0.61 -0.21 3.83 -7.23 0.40 -4.42 120.40 110.66 2cwk s VAL 76 Ca 0.65 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2cwk s VAL 76 Cb -0.21 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.15 2cwk s VAL 76 CO 0.58 0.00 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.56 2cwk s VAL 77 N -3.58 2.59 -0.14 1.32 1.01 -1.00 -1.52 120.40 119.07 2cwk s VAL 77 Ca 0.36 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2cwk s VAL 77 Cb 0.07 -2.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2cwk s VAL 77 CO 0.15 0.38 0.11 0.68 0.00 0.00 0.00 175.10 176.41 2cwk s VAL 78 N 1.33 5.22 0.04 2.92 -7.23 -0.43 -0.53 120.40 121.71 2cwk s VAL 78 Ca 0.03 0.11 -0.10 0.00 -1.81 0.00 0.00 61.98 60.21 2cwk s VAL 78 Cb -0.15 -3.30 0.01 0.00 0.56 0.00 0.00 36.38 33.50 2cwk s VAL 78 CO -0.08 0.56 0.20 0.00 -0.31 0.00 0.00 175.10 175.47 2cwk s MET 79 N -0.53 0.69 -0.19 4.82 0.23 -0.08 -1.54 119.30 122.70 2cwk s MET 79 Ca 0.12 -0.59 -0.03 0.00 -1.03 0.00 0.00 55.69 54.16 2cwk s MET 79 Cb -0.12 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.46 2cwk s MET 79 CO 0.02 -0.20 -0.08 0.08 -2.03 0.00 0.00 175.02 172.81 2cwk s VAL 80 N -2.44 3.22 -0.12 5.16 1.01 0.03 -0.70 120.40 126.56 2cwk s VAL 80 Ca -0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2cwk s VAL 80 Cb -0.02 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2cwk s VAL 80 CO -0.03 0.46 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 2cwk s LEU 81 N 1.10 3.65 -0.04 3.92 1.43 -0.31 -1.34 118.68 127.10 2cwk s LEU 81 Ca 0.01 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.30 2cwk s LEU 81 Cb -0.15 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2cwk s LEU 81 CO -0.01 0.31 -0.25 -0.70 0.23 0.00 0.00 176.35 175.93 2cwk s GLU 82 N -0.47 2.32 0.00 1.70 2.12 0.72 -1.02 118.70 124.06 2cwk s GLU 82 Ca 0.09 -0.90 0.00 0.00 0.36 0.00 0.00 54.97 54.52 2cwk s GLU 82 Cb -0.12 -2.07 0.00 0.00 0.26 0.00 0.00 34.13 32.20 2cwk s GLU 82 CO 0.02 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 2cwk n GLY 83 N 2.75 0.56 3.67 -1.50 0.00 -0.48 -1.21 105.19 108.98 2cwk n GLY 83 Ca -0.17 -1.04 -0.47 0.00 0.00 0.00 0.00 46.02 44.33 2cwk n GLY 83 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cwk n ARG 84 N -0.56 2.23 -3.80 1.61 0.63 -1.26 -1.23 116.66 114.28 2cwk n ARG 84 Ca 0.00 0.81 -0.30 0.00 -0.92 0.00 0.00 57.85 57.44 2cwk n ARG 84 Cb 0.00 -2.72 -0.01 0.00 0.45 0.00 0.00 32.46 30.18 2cwk n ARG 84 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2cwk n TYR 85 N 7.19 -1.86 -0.34 -0.14 4.01 -0.43 -4.84 117.16 120.75 2cwk n TYR 85 Ca 0.23 0.68 0.13 0.00 -0.16 0.00 0.00 57.90 58.78 2cwk n TYR 85 Cb 0.32 -3.10 0.32 0.00 -0.31 0.00 0.00 39.34 36.57 2cwk n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2cwk h ALA 86 N 0.95 1.63 0.41 -0.72 0.00 -1.56 -1.80 119.26 118.17 2cwk h ALA 86 Ca -0.52 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2cwk h ALA 86 Cb 1.34 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2cwk h ALA 86 CO 0.65 -0.12 -0.35 0.28 0.00 0.00 0.00 179.25 179.72 2cwk h VAL 87 N 0.69 0.28 -0.34 0.00 2.07 -1.87 -0.07 116.25 117.02 2cwk h VAL 87 Ca 0.58 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.99 2cwk h VAL 87 Cb 0.94 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2cwk h VAL 87 CO -0.41 0.00 -0.24 1.05 0.02 0.00 0.00 177.57 177.99 2cwk h GLU 88 N -0.76 0.66 -0.44 1.57 4.11 -1.85 -2.55 114.58 115.32 2cwk h GLU 88 Ca -0.04 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.11 2cwk h GLU 88 Cb 0.67 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2cwk h GLU 88 CO -0.02 0.84 0.18 0.28 0.07 0.00 0.00 179.01 180.36 2cwk h VAL 89 N 0.58 1.20 -0.36 -1.06 2.07 -1.17 -1.28 116.25 116.23 2cwk h VAL 89 Ca 0.08 -0.61 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 2cwk h VAL 89 Cb 0.72 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2cwk h VAL 89 CO 0.06 0.23 -0.23 0.58 0.02 0.00 0.00 177.57 178.22 2cwk h VAL 90 N 0.57 1.27 -0.71 2.57 2.07 -0.97 -1.01 116.25 120.06 2cwk h VAL 90 Ca 0.15 -1.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2cwk h VAL 90 Cb 0.18 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2cwk h VAL 90 CO -0.01 0.44 0.29 0.03 0.02 0.00 0.00 177.57 178.34 2cwk h ARG 91 N 0.61 1.03 -0.37 1.57 3.08 -1.21 -0.07 114.38 119.03 2cwk h ARG 91 Ca 0.09 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 2cwk h ARG 91 Cb 0.72 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2cwk h ARG 91 CO 0.06 0.83 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.56 2cwk h LYS 92 N 1.02 0.65 -0.06 0.04 3.64 -0.85 -2.66 116.57 118.35 2cwk h LYS 92 Ca 0.24 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2cwk h LYS 92 Cb 0.17 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2cwk h LYS 92 CO -0.02 0.77 -0.23 0.52 -2.27 0.00 0.00 179.45 178.22 2cwk h MET 93 N 0.47 0.10 -0.29 1.90 2.86 -0.76 -2.95 114.93 116.25 2cwk h MET 93 Ca 0.10 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2cwk h MET 93 Cb 0.48 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2cwk h MET 93 CO 0.02 0.33 -0.10 0.00 1.06 0.00 0.00 176.91 178.22 2cwk h ALA 94 N 1.68 0.41 0.00 6.32 0.00 -0.76 0.44 119.26 127.35 2cwk h ALA 94 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2cwk h ALA 94 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2cwk h ALA 94 CO 0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2cwk n GLY 95 N -0.11 -0.19 3.56 0.00 0.00 -1.02 -1.32 105.19 106.10 2cwk n GLY 95 Ca -0.03 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 2cwk n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cwk n ALA 96 N 0.26 -0.41 -0.16 4.61 0.00 -1.26 -4.90 120.51 118.66 2cwk n ALA 96 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 2cwk n ALA 96 Cb 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 19.45 17.50 2cwk n ALA 96 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2cwk h THR 97 N 1.34 0.43 -3.56 0.00 2.02 -1.95 -3.34 112.91 107.85 2cwk h THR 97 Ca -0.42 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.13 2cwk h THR 97 Cb 1.36 0.43 -0.13 0.00 -1.74 0.00 0.00 68.15 68.07 2cwk h THR 97 CO 0.56 0.00 0.15 -0.62 0.37 0.00 0.00 175.52 175.97 2cwk s ASP 98 N -5.19 6.44 0.55 4.18 -1.08 -1.26 -4.76 116.67 115.54 2cwk s ASP 98 Ca -0.14 0.21 0.36 0.00 -0.52 0.00 0.00 52.55 52.46 2cwk s ASP 98 Cb 0.16 -2.33 1.54 0.00 -1.46 0.00 0.00 42.92 40.84 2cwk s ASP 98 CO 0.71 -0.57 1.81 -0.65 0.52 0.00 0.00 175.17 176.99 2cwk h PRO 99 N 8.41 0.00 0.00 4.34 0.11 -1.84 0.11 132.00 143.12 2cwk h PRO 99 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.81 2cwk h PRO 99 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2cwk h PRO 99 CO 0.83 0.00 -0.17 1.57 -0.21 0.00 0.00 178.00 180.02 2cwk h LYS 100 N 0.00 0.00 -0.00 1.05 2.10 -1.83 -2.21 116.57 115.67 2cwk h LYS 100 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 2cwk h LYS 100 Cb 2.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.54 2cwk h LYS 100 CO -0.01 0.17 -0.64 -0.25 -2.00 0.00 0.00 179.45 176.73 2cwk n ASP 101 N -3.79 0.90 -4.75 7.07 8.00 0.36 -4.95 116.55 119.40 2cwk n ASP 101 Ca -0.02 -0.73 -0.41 0.00 0.71 0.00 0.00 54.79 54.35 2cwk n ASP 101 Cb 0.27 0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 41.86 2cwk n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cwk s ALA 102 N -2.88 3.45 0.38 2.24 0.00 -0.83 -4.71 121.76 119.40 2cwk s ALA 102 Ca 0.13 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.84 2cwk s ALA 102 Cb 0.17 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.79 2cwk s ALA 102 CO 0.72 -0.38 1.14 0.00 0.00 0.00 0.00 175.76 177.24 2cwk s ALA 103 N -0.56 3.20 0.33 0.00 0.00 -1.26 -4.42 121.76 119.05 2cwk s ALA 103 Ca 0.50 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 53.09 2cwk s ALA 103 Cb -0.34 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 2cwk s ALA 103 CO 0.41 -0.41 1.53 -2.30 0.00 0.00 0.00 175.76 174.99 2cwk n PRO 104 N 0.26 2.65 0.00 0.00 -0.02 -1.26 -2.04 135.00 134.59 2cwk n PRO 104 Ca 0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2cwk n PRO 104 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2cwk n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2cwk n GLY 105 N 1.34 1.82 3.92 -1.23 0.00 -1.26 -4.97 105.19 104.81 2cwk n GLY 105 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2cwk n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cwk s THR 106 N -1.99 3.68 0.07 2.61 -4.23 -0.87 -4.90 115.64 110.02 2cwk s THR 106 Ca 0.00 -0.06 -0.23 0.00 -1.18 0.00 0.00 61.69 60.22 2cwk s THR 106 Cb 0.00 -3.45 -0.15 0.00 1.34 0.00 0.00 72.50 70.24 2cwk s THR 106 CO 0.00 -0.45 1.64 0.40 -0.54 0.00 0.00 174.62 175.67 2cwk h ILE 107 N -0.11 1.10 -0.21 2.99 2.04 -0.93 -0.39 117.51 122.00 2cwk h ILE 107 Ca -0.45 -0.28 -0.12 0.00 1.00 0.00 0.00 64.86 65.00 2cwk h ILE 107 Cb 1.26 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2cwk h ILE 107 CO 0.60 0.08 -0.39 0.03 0.00 0.00 0.00 178.15 178.48 2cwk h ARG 108 N -0.05 0.48 -0.55 2.37 3.08 -1.44 -1.03 114.38 117.24 2cwk h ARG 108 Ca 0.01 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 2cwk h ARG 108 Cb 0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2cwk h ARG 108 CO -0.00 0.79 0.07 0.78 -1.07 0.00 0.00 179.97 180.54 2cwk h GLY 109 N 1.09 0.96 1.27 0.04 0.00 -1.65 -0.11 103.07 104.67 2cwk h GLY 109 Ca 0.04 -0.61 -0.27 0.00 0.00 0.00 0.00 47.33 46.49 2cwk h GLY 109 CO 0.07 0.57 -1.51 -0.55 0.00 0.00 0.00 176.54 175.12 2cwk h ASP 110 N 0.84 0.02 0.00 0.19 3.32 -0.96 -3.42 116.42 116.41 2cwk h ASP 110 Ca 0.17 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2cwk h ASP 110 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2cwk h ASP 110 CO 0.01 1.03 -1.17 0.49 -1.72 0.00 0.00 179.24 177.88 2cwk n PHE 111 N -3.15 0.00 -4.13 4.55 3.01 -0.40 -5.06 117.46 112.28 2cwk n PHE 111 Ca -0.12 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.07 2cwk n PHE 111 Cb 1.02 -0.14 -0.06 0.00 -0.01 0.00 0.00 39.48 40.29 2cwk n PHE 111 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2cwk s GLY 112 N -2.65 1.72 0.18 1.37 0.00 -0.06 -4.95 107.32 102.94 2cwk s GLY 112 Ca -0.02 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.42 2cwk s GLY 112 CO 0.31 -1.29 0.00 -0.10 0.00 0.00 0.00 173.10 172.02 2cwk n LEU 113 N -0.25 -1.60 -4.76 0.66 7.94 -1.26 -4.51 117.00 113.21 2cwk n LEU 113 Ca -0.09 0.61 -0.36 0.00 -1.11 0.00 0.00 56.01 55.06 2cwk n LEU 113 Cb 0.55 1.77 0.02 0.00 0.53 0.00 0.00 43.42 46.28 2cwk n LEU 113 CO 0.41 0.10 0.83 -1.61 -1.11 0.00 0.00 177.39 176.02 2cwk s GLU 114 N -1.89 3.22 0.16 1.96 0.41 -1.26 -4.68 118.70 116.62 2cwk s GLU 114 Ca 0.00 1.79 0.03 0.00 -0.41 0.00 0.00 54.97 56.37 2cwk s GLU 114 Cb 0.00 -2.05 -0.05 0.00 -1.78 0.00 0.00 34.13 30.25 2cwk s GLU 114 CO 0.00 -1.00 -0.03 0.14 -0.49 0.00 0.00 175.26 173.88 2cwk s VAL 115 N -1.61 0.83 0.00 2.63 -7.23 -1.26 -4.42 120.40 109.33 2cwk s VAL 115 Ca 0.74 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2cwk s VAL 115 Cb -0.29 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2cwk s VAL 115 CO 0.33 -0.59 0.00 -1.54 -0.31 0.00 0.00 175.10 172.98 2cwk n SER 116 N -0.21 0.00 0.25 4.85 3.41 -1.26 -4.93 113.62 115.73 2cwk n SER 116 Ca -0.08 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.68 2cwk n SER 116 Cb 0.62 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.09 2cwk n SER 116 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2cwk h ASP 117 N 0.00 0.00 -2.86 4.04 5.19 -2.01 -3.43 116.42 117.34 2cwk h ASP 117 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 2cwk h ASP 117 Cb 0.00 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.40 2cwk h ASP 117 CO 0.00 0.03 -0.67 0.00 -3.12 0.00 0.00 179.24 175.49 2cwk s ALA 118 N -3.54 3.16 -1.24 3.45 0.00 -1.26 -4.96 121.76 117.38 2cwk s ALA 118 Ca 0.03 -1.40 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 2cwk s ALA 118 Cb 0.08 -0.94 0.06 0.00 0.00 0.00 0.00 23.12 22.31 2cwk s ALA 118 CO 0.59 0.47 1.70 0.42 0.00 0.00 0.00 175.76 178.94 2cwk s ILE 119 N -1.76 4.04 -0.01 0.00 -1.09 -1.26 -4.73 121.20 116.39 2cwk s ILE 119 Ca 0.27 -1.63 -0.34 0.00 -2.23 0.00 0.00 60.65 56.72 2cwk s ILE 119 Cb -0.09 -5.12 -0.12 0.00 -1.58 0.00 0.00 42.46 35.55 2cwk s ILE 119 CO 0.18 -1.94 1.81 0.00 -1.23 0.00 0.00 174.94 173.77 2cwk n ASN 121 N 5.87 2.22 0.00 0.00 0.23 -1.26 -4.64 115.26 117.68 2cwk n ASN 121 Ca 0.21 -2.42 0.00 0.00 -0.53 0.00 0.00 54.58 51.84 2cwk n ASN 121 Cb 0.31 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 2cwk n ASN 121 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2cwk n VAL 122 N -0.55 0.00 -4.11 3.53 0.31 -1.26 -4.76 118.33 111.48 2cwk n VAL 122 Ca 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 2cwk n VAL 122 Cb 0.86 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 33.70 2cwk n VAL 122 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2cwk s ILE 123 N 0.00 0.07 -0.00 2.52 -4.36 -1.26 -1.38 121.20 116.79 2cwk s ILE 123 Ca 0.00 -1.80 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 2cwk s ILE 123 Cb 0.00 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.58 2cwk s ILE 123 CO 0.00 -0.31 -0.16 -2.28 0.24 0.00 0.00 174.94 172.42 2cwk s HIS 124 N -4.05 2.62 -0.02 1.37 5.65 0.27 -4.91 115.29 116.22 2cwk s HIS 124 Ca 0.26 -0.22 0.00 0.00 0.25 0.00 0.00 55.06 55.35 2cwk s HIS 124 Cb 0.06 -1.54 0.02 0.00 -1.18 0.00 0.00 32.58 29.94 2cwk s HIS 124 CO 0.04 0.21 0.00 0.00 -0.65 0.00 0.00 174.74 174.34 2cwk s ALA 125 N -0.82 0.26 0.26 1.58 0.00 -1.26 -1.62 121.76 120.15 2cwk s ALA 125 Ca 0.13 0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 2cwk s ALA 125 Cb -0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 23.12 22.62 2cwk s ALA 125 CO 0.03 -0.05 1.20 0.43 0.00 0.00 0.00 175.76 177.37 2cwk n SER 126 N 3.94 2.00 0.06 0.00 7.64 -0.82 -4.89 113.62 121.54 2cwk n SER 126 Ca -0.25 1.17 0.12 0.00 1.01 0.00 0.00 58.87 60.93 2cwk n SER 126 Cb 0.52 -1.35 0.30 0.00 -1.01 0.00 0.00 64.21 62.66 2cwk n SER 126 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2cwk n ASP 127 N 1.55 0.63 -3.81 6.43 5.68 -1.26 -4.77 116.55 120.99 2cwk n ASP 127 Ca 0.10 0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 54.56 2cwk n ASP 127 Cb 0.31 -0.16 -0.02 0.00 -1.14 0.00 0.00 41.12 40.11 2cwk n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2cwk s SER 128 N -4.00 -0.29 0.27 -1.12 1.04 -1.26 -4.98 113.70 103.37 2cwk s SER 128 Ca 0.09 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 2cwk s SER 128 Cb 0.14 0.71 0.38 0.00 0.10 0.00 0.00 66.02 67.35 2cwk s SER 128 CO 0.66 -1.30 1.82 0.11 0.98 0.00 0.00 173.24 175.51 2cwk h LYS 129 N 2.00 0.85 -0.17 4.02 1.57 -1.94 0.13 116.57 123.03 2cwk h LYS 129 Ca -0.21 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 2cwk h LYS 129 Cb 1.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2cwk h LYS 129 CO 0.25 0.76 0.05 1.49 -0.57 0.00 0.00 179.45 181.43 2cwk h GLU 130 N 0.82 0.26 -0.50 3.15 4.81 -1.98 -1.92 114.58 119.22 2cwk h GLU 130 Ca 0.18 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 2cwk h GLU 130 Cb 0.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2cwk h GLU 130 CO -0.00 0.39 -0.04 0.77 -0.73 0.00 0.00 179.01 179.40 2cwk h SER 131 N 0.09 0.84 -0.36 1.04 0.02 -1.88 -2.73 113.55 110.57 2cwk h SER 131 Ca 0.05 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2cwk h SER 131 Cb 0.24 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2cwk h SER 131 CO -0.00 0.92 0.22 0.00 -1.14 0.00 0.00 176.83 176.83 2cwk h ALA 132 N 1.16 0.45 -0.74 3.77 0.00 -0.57 0.72 119.26 124.05 2cwk h ALA 132 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2cwk h ALA 132 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2cwk h ALA 132 CO 0.03 -0.13 0.38 1.49 0.00 0.00 0.00 179.25 181.02 2cwk h GLU 133 N 0.44 1.06 -0.11 0.00 4.57 -1.20 0.50 114.58 119.84 2cwk h GLU 133 Ca 0.14 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2cwk h GLU 133 Cb -0.01 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 28.38 2cwk h GLU 133 CO -0.06 0.81 0.01 -0.09 -1.18 0.00 0.00 179.01 178.50 2cwk h ARG 134 N 1.04 0.19 -0.63 1.92 2.43 -1.17 -2.62 114.38 115.54 2cwk h ARG 134 Ca 0.26 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 2cwk h ARG 134 Cb 0.08 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 2cwk h ARG 134 CO -0.04 0.41 0.20 0.93 -1.51 0.00 0.00 179.97 179.96 2cwk h GLU 135 N -0.06 0.97 -0.58 0.20 5.08 -0.69 -1.72 114.58 117.78 2cwk h GLU 135 Ca 0.03 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2cwk h GLU 135 Cb 0.32 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2cwk h GLU 135 CO 0.00 0.86 0.31 0.82 -1.00 0.00 0.00 179.01 180.00 2cwk h ILE 136 N 0.90 1.19 0.00 3.13 2.04 -0.91 -2.13 117.51 121.74 2cwk h ILE 136 Ca 0.20 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 2cwk h ILE 136 Cb 0.29 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2cwk h ILE 136 CO -0.01 0.21 -0.31 -1.28 0.00 0.00 0.00 178.15 176.77 2cwk h SER 137 N 0.79 0.00 -0.29 1.72 0.87 -1.29 0.14 113.55 115.48 2cwk h SER 137 Ca 0.20 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 2cwk h SER 137 Cb 0.06 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2cwk h SER 137 CO -0.03 0.31 -0.33 0.25 -0.53 0.00 0.00 176.83 176.50 2cwk h LEU 138 N 0.00 0.85 0.00 2.23 5.85 -0.67 -3.34 115.31 120.23 2cwk h LEU 138 Ca -0.00 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.27 2cwk h LEU 138 Cb 0.59 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2cwk h LEU 138 CO 0.04 1.10 -2.02 0.49 -0.34 0.00 0.00 178.44 177.71 2cwk n PHE 139 N -4.07 0.00 -4.42 1.25 3.01 -0.95 -5.01 117.46 107.27 2cwk n PHE 139 Ca -0.01 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.20 2cwk n PHE 139 Cb 0.50 -0.58 -0.13 0.00 -0.01 0.00 0.00 39.48 39.25 2cwk n PHE 139 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2cwk s PHE 140 N -3.18 1.82 0.14 1.38 0.40 0.45 -5.11 117.98 113.89 2cwk s PHE 140 Ca -0.08 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 2cwk s PHE 140 Cb 0.11 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.57 2cwk s PHE 140 CO 0.83 0.17 0.31 0.15 0.70 0.00 0.00 175.22 177.38 2cwk s LYS 141 N -1.65 3.49 0.38 0.44 1.02 -1.26 -4.46 119.74 117.70 2cwk s LYS 141 Ca 0.07 -0.42 0.14 0.00 0.02 0.00 0.00 55.97 55.79 2cwk s LYS 141 Cb -0.10 -2.93 0.98 0.00 -0.52 0.00 0.00 37.83 35.27 2cwk s LYS 141 CO 0.03 0.50 1.83 -1.35 -0.92 0.00 0.00 175.35 175.44 2cwk h PRO 142 N 2.40 0.50 0.00 -1.68 0.11 -1.97 0.53 132.00 131.89 2cwk h PRO 142 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2cwk h PRO 142 Cb 1.18 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2cwk h PRO 142 CO 0.71 0.33 0.00 0.39 -0.21 0.00 0.00 178.00 179.22 2cwk n GLU 143 N -4.59 0.00 -0.08 1.05 1.02 -1.26 -1.96 120.64 114.82 2cwk n GLU 143 Ca 0.21 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 2cwk n GLU 143 Cb 0.68 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.76 2cwk n GLU 143 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2cwk n GLU 144 N -1.51 2.37 -4.90 3.49 1.02 0.18 -4.90 120.64 116.39 2cwk n GLU 144 Ca 0.02 -2.03 -0.33 0.00 -0.02 0.00 0.00 57.16 54.80 2cwk n GLU 144 Cb 0.11 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 2cwk n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2cwk s LEU 145 N -1.77 2.64 0.18 -4.62 1.43 -0.83 -4.45 118.68 111.26 2cwk s LEU 145 Ca 0.33 -0.29 0.09 0.00 -1.03 0.00 0.00 54.13 53.24 2cwk s LEU 145 Cb 0.21 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 2cwk s LEU 145 CO 0.31 0.27 -0.19 -0.36 0.23 0.00 0.00 176.35 176.60 2cwk s PHE 146 N -0.27 1.96 -0.27 0.29 0.40 0.27 -5.01 117.98 115.35 2cwk s PHE 146 Ca 0.01 -0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 2cwk s PHE 146 Cb -0.13 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.48 2cwk s PHE 146 CO 0.03 0.40 -0.05 -2.00 0.70 0.00 0.00 175.22 174.30 2cwk s GLU 147 N -2.86 2.52 0.13 0.44 2.56 -1.26 -4.74 118.70 115.49 2cwk s GLU 147 Ca 0.18 -1.19 -0.16 0.00 0.00 0.00 0.00 54.97 53.80 2cwk s GLU 147 Cb -0.06 -3.03 0.03 0.00 2.00 0.00 0.00 34.13 33.07 2cwk s GLU 147 CO 0.08 -0.53 0.41 1.52 -0.56 0.00 0.00 175.26 176.18 2cwk s TYR 148 N 1.24 -0.19 0.05 5.30 -0.85 -1.26 -5.16 117.35 116.49 2cwk s TYR 148 Ca -0.04 -0.13 -0.25 0.00 -0.52 0.00 0.00 57.07 56.13 2cwk s TYR 148 Cb -0.19 0.27 -0.06 0.00 0.38 0.00 0.00 41.96 42.37 2cwk s TYR 148 CO -0.03 -0.73 0.75 -1.25 -1.52 0.00 0.00 175.55 172.77 2cwk s PRO 149 N -3.81 4.48 0.39 -3.49 0.04 -1.26 -5.06 135.00 126.29 2cwk s PRO 149 Ca 0.04 1.04 -0.03 0.00 0.04 0.00 0.00 61.00 62.09 2cwk s PRO 149 Cb 0.02 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 2cwk s PRO 149 CO -0.11 0.32 0.65 1.03 0.04 0.00 0.00 177.00 178.93 2cwk s ARG 150 N -0.16 3.55 0.22 4.56 1.81 -1.26 -5.00 118.95 122.67 2cwk s ARG 150 Ca 0.38 -0.02 -0.16 0.00 -1.72 0.00 0.00 55.73 54.21 2cwk s ARG 150 Cb -0.20 -2.53 0.24 0.00 -0.45 0.00 0.00 34.95 32.00 2cwk s ARG 150 CO 0.23 0.01 1.58 0.00 -0.68 0.00 0.00 175.30 176.44 2cwk h ALA 151 N 0.74 0.24 -0.25 2.13 0.00 -2.02 -2.28 119.26 117.82 2cwk h ALA 151 Ca -0.48 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2cwk h ALA 151 Cb 1.21 0.75 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2cwk h ALA 151 CO 0.62 -0.55 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2cwk n ALA 152 N -3.28 2.49 -0.34 0.00 0.00 -1.26 -4.40 120.51 113.72 2cwk n ALA 152 Ca 0.08 -0.56 0.12 0.00 0.00 0.00 0.00 53.44 53.08 2cwk n ALA 152 Cb 0.39 -1.04 0.30 0.00 0.00 0.00 0.00 19.45 19.09 2cwk n ALA 152 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2cwk h ASP 153 N 2.11 0.70 0.02 0.00 5.19 -1.80 -1.04 116.42 121.61 2cwk h ASP 153 Ca 0.00 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2cwk h ASP 153 Cb 0.47 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 2cwk h ASP 153 CO 0.00 0.24 -0.02 4.11 -3.12 0.00 0.00 179.24 180.45 2cwk h TRP 154 N 0.71 0.00 -0.52 4.55 5.08 -1.82 -2.78 115.95 121.17 2cwk h TRP 154 Ca 0.55 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.50 2cwk h TRP 154 Cb 0.86 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.99 2cwk h TRP 154 CO -0.03 0.02 0.22 0.35 -1.28 0.00 0.00 178.44 177.71 2cwk h PHE 155 N 0.00 0.74 -0.20 0.12 3.57 -1.51 -2.89 116.94 116.77 2cwk h PHE 155 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2cwk h PHE 155 Cb 0.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.54 2cwk h PHE 155 CO 0.00 0.57 0.00 0.66 -2.23 0.00 0.00 178.31 177.31 2cwk n TYR 156 N -4.35 0.25 0.00 0.41 4.02 -1.05 -5.21 117.16 111.24 2cwk n TYR 156 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2cwk n TYR 156 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 2cwk n TYR 156 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48