#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmk s PRO 3 N 0.00 3.80 0.04 3.49 0.04 -1.26 -4.95 135.00 136.16 1wmk s PRO 3 Ca 0.00 -1.84 -0.01 0.00 0.04 0.00 0.00 61.00 59.19 1wmk s PRO 3 Cb 0.00 -5.20 -0.03 0.00 0.04 0.00 0.00 34.50 29.31 1wmk s PRO 3 CO 0.00 -1.99 -0.02 -0.06 0.04 0.00 0.00 177.00 174.97 1wmk s PHE 4 N 3.34 0.40 -0.15 0.56 0.08 -1.26 -5.11 117.98 115.85 1wmk s PHE 4 Ca 0.43 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.56 1wmk s PHE 4 Cb -0.01 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 42.10 1wmk s PHE 4 CO -0.04 -0.32 0.11 0.15 -0.10 0.00 0.00 175.22 175.03 1wmk s LYS 5 N -3.00 3.69 -0.52 0.44 1.02 -1.26 -5.01 119.74 115.09 1wmk s LYS 5 Ca -0.02 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1wmk s LYS 5 Cb 0.01 -3.22 0.51 0.00 -0.52 0.00 0.00 37.83 34.61 1wmk s LYS 5 CO -0.07 0.57 1.81 0.94 -0.92 0.00 0.00 175.35 177.68 1wmk n GLN 6 N 2.64 2.63 -4.20 1.68 -0.06 -1.26 -3.87 117.38 114.94 1wmk n GLN 6 Ca -0.18 -3.35 -0.31 0.00 -2.00 0.00 0.00 57.00 51.16 1wmk n GLN 6 Cb 0.54 -2.21 -0.09 0.00 -4.06 0.00 0.00 30.24 24.42 1wmk n GLN 6 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1wmk s GLN 7 N -3.61 2.55 0.08 3.69 1.11 -1.26 -5.09 119.66 117.13 1wmk s GLN 7 Ca 0.59 -0.80 -0.31 0.00 0.01 0.00 0.00 55.36 54.85 1wmk s GLN 7 Cb 0.48 -2.54 -0.07 0.00 -1.01 0.00 0.00 33.01 29.87 1wmk s GLN 7 CO 0.02 0.56 1.32 0.15 0.01 0.00 0.00 175.29 177.36 1wmk s LYS 8 N -2.06 4.35 0.15 2.91 1.02 -1.26 -4.75 119.74 120.11 1wmk s LYS 8 Ca 0.23 1.95 0.25 0.00 0.02 0.00 0.00 55.97 58.43 1wmk s LYS 8 Cb -0.12 -3.32 0.93 0.00 -0.52 0.00 0.00 37.83 34.80 1wmk s LYS 8 CO 0.15 -0.39 1.77 1.55 -0.92 0.00 0.00 175.35 177.51 1wmk n VAL 9 N 4.03 0.55 0.08 3.17 3.14 -1.26 -2.74 118.33 125.31 1wmk n VAL 9 Ca 0.11 -0.06 -0.05 0.00 -2.96 0.00 0.00 64.34 61.38 1wmk n VAL 9 Cb 0.44 -0.73 -0.04 0.00 -1.06 0.00 0.00 33.84 32.44 1wmk n VAL 9 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1wmk h GLU 10 N 0.00 0.00 0.00 1.45 3.07 -1.91 -2.62 114.58 114.56 1wmk h GLU 10 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1wmk h GLU 10 Cb 0.56 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1wmk h GLU 10 CO 0.00 0.88 -0.09 -0.44 -1.40 0.00 0.00 179.01 177.96 1wmk h ASP 11 N 0.00 0.00 0.00 1.42 3.32 -1.92 -3.32 116.42 115.92 1wmk h ASP 11 Ca -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1wmk h ASP 11 Cb 1.59 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.10 1wmk h ASP 11 CO 0.11 0.09 -1.87 0.49 -1.72 0.00 0.00 179.24 176.34 1wmk n PHE 12 N -3.21 0.00 -4.49 4.55 3.01 -1.23 -4.95 117.46 111.14 1wmk n PHE 12 Ca 0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1wmk n PHE 12 Cb 0.38 -0.61 -0.15 0.00 -0.01 0.00 0.00 39.48 39.09 1wmk n PHE 12 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1wmk s TYR 13 N -2.42 1.10 -0.33 1.38 2.02 -0.99 -1.26 117.35 116.85 1wmk s TYR 13 Ca -0.06 -0.27 -0.18 0.00 -0.37 0.00 0.00 57.07 56.19 1wmk s TYR 13 Cb 0.05 -0.76 -0.01 0.00 -0.40 0.00 0.00 41.96 40.84 1wmk s TYR 13 CO 0.55 -0.09 0.51 -0.51 -1.57 0.00 0.00 175.55 174.43 1wmk s ASP 14 N 0.07 6.33 0.47 2.29 1.01 0.76 -4.42 116.67 123.18 1wmk s ASP 14 Ca -0.02 0.07 -0.18 0.00 0.71 0.00 0.00 52.55 53.13 1wmk s ASP 14 Cb -0.08 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 1wmk s ASP 14 CO 0.01 -0.44 0.96 -0.63 0.21 0.00 0.00 175.17 175.28 1wmk s ILE 15 N 2.37 4.48 0.00 0.77 1.01 -1.26 -1.29 121.20 127.27 1wmk s ILE 15 Ca 0.19 1.32 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1wmk s ILE 15 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1wmk s ILE 15 CO 0.13 -0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.17 1wmk n GLY 16 N -1.13 4.52 3.74 6.18 0.00 -0.46 -4.94 105.19 113.11 1wmk n GLY 16 Ca 0.07 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1wmk n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wmk s GLU 17 N 3.75 4.16 -0.53 1.61 2.12 -1.21 -4.65 118.70 123.95 1wmk s GLU 17 Ca 0.00 2.50 -0.28 0.00 0.36 0.00 0.00 54.97 57.55 1wmk s GLU 17 Cb 0.00 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.34 1wmk s GLU 17 CO 0.00 -0.60 1.43 -2.00 -0.54 0.00 0.00 175.26 173.55 1wmk s GLU 18 N -0.11 3.33 -0.01 4.30 2.12 -1.26 0.25 118.70 127.33 1wmk s GLU 18 Ca 0.65 0.57 -0.25 0.00 0.36 0.00 0.00 54.97 56.30 1wmk s GLU 18 Cb -0.46 -4.11 -0.18 0.00 0.26 0.00 0.00 34.13 29.63 1wmk s GLU 18 CO 0.43 -1.89 1.26 1.25 -0.54 0.00 0.00 175.26 175.77 1wmk h LEU 19 N 13.03 -0.13 -6.14 2.70 5.85 -1.65 -3.47 115.31 125.51 1wmk h LEU 19 Ca -0.27 -0.33 0.24 0.00 0.84 0.00 0.00 57.88 58.36 1wmk h LEU 19 Cb 1.10 0.03 -0.24 0.00 0.37 0.00 0.00 40.66 41.92 1wmk h LEU 19 CO 1.16 0.28 0.31 -0.83 -0.34 0.00 0.00 178.44 179.02 1wmk s GLY 20 N -2.96 -0.06 0.06 3.75 0.00 -1.16 -5.08 107.32 101.87 1wmk s GLY 20 Ca -0.15 3.19 -0.20 0.00 0.00 0.00 0.00 44.72 47.55 1wmk s GLY 20 CO 0.61 3.56 0.60 -1.35 0.00 0.00 0.00 173.10 176.52 1wmk s SER 21 N 2.54 7.07 0.00 1.64 1.04 -1.26 -3.71 113.70 121.02 1wmk s SER 21 Ca -0.02 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1wmk s SER 21 Cb -0.06 -2.38 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1wmk s SER 21 CO -0.14 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.91 1wmk n GLY 22 N 1.92 0.83 1.21 7.32 0.00 -0.52 -4.97 105.19 110.98 1wmk n GLY 22 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1wmk n GLY 22 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wmk n GLN 23 N 0.00 0.00 -0.05 1.61 6.02 -1.26 -4.82 117.38 118.88 1wmk n GLN 23 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1wmk n GLN 23 Cb 0.00 -0.40 0.15 0.00 1.02 0.00 0.00 30.24 31.01 1wmk n GLN 23 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1wmk n PHE 24 N -3.13 0.14 -3.82 1.08 3.72 -1.26 -4.95 117.46 109.25 1wmk n PHE 24 Ca 0.00 -0.07 -0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1wmk n PHE 24 Cb 0.25 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.69 1wmk n PHE 24 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1wmk s ALA 25 N -1.86 -0.54 -0.14 4.37 0.00 -1.26 -2.56 121.76 119.77 1wmk s ALA 25 Ca 0.31 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1wmk s ALA 25 Cb 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.31 1wmk s ALA 25 CO 0.31 -0.20 -0.22 0.42 0.00 0.00 0.00 175.76 176.07 1wmk s ILE 26 N -0.97 2.08 -0.26 0.00 1.09 -0.63 -1.44 121.20 121.06 1wmk s ILE 26 Ca -0.11 -0.97 -0.10 0.00 -1.10 0.00 0.00 60.65 58.37 1wmk s ILE 26 Cb -0.05 -1.83 -0.05 0.00 -1.06 0.00 0.00 42.46 39.47 1wmk s ILE 26 CO 0.02 0.55 0.16 -0.69 -0.10 0.00 0.00 174.94 174.88 1wmk s VAL 27 N 0.82 5.20 -0.09 2.92 1.01 -1.24 -1.26 120.40 127.76 1wmk s VAL 27 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1wmk s VAL 27 Cb -0.15 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wmk s VAL 27 CO -0.02 0.30 -0.20 -0.54 0.00 0.00 0.00 175.10 174.64 1wmk s LYS 28 N 1.47 2.60 -0.30 2.72 1.02 0.20 -1.65 119.74 125.80 1wmk s LYS 28 Ca 0.07 -0.73 -0.28 0.00 0.02 0.00 0.00 55.97 55.06 1wmk s LYS 28 Cb -0.15 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1wmk s LYS 28 CO 0.08 0.13 2.21 0.21 -0.92 0.00 0.00 175.35 177.05 1wmk s LYS 29 N 0.45 2.91 0.00 1.68 2.20 0.14 -0.84 119.74 126.29 1wmk s LYS 29 Ca -0.17 1.80 0.00 0.00 -0.36 0.00 0.00 55.97 57.23 1wmk s LYS 29 Cb -0.17 -4.40 0.00 0.00 -1.51 0.00 0.00 37.83 31.75 1wmk s LYS 29 CO 0.07 -2.35 0.00 0.00 -0.36 0.00 0.00 175.35 172.71 1wmk s ARG 31 N -1.43 0.87 0.16 0.00 3.52 -0.41 -3.21 118.95 118.45 1wmk s ARG 31 Ca 0.00 0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 56.17 1wmk s ARG 31 Cb 0.00 0.42 -0.07 0.00 -1.56 0.00 0.00 34.95 33.74 1wmk s ARG 31 CO 0.00 -0.14 0.96 -2.00 -0.81 0.00 0.00 175.30 173.31 1wmk s GLU 32 N 0.12 4.75 0.08 5.12 2.12 -1.09 -0.17 118.70 129.63 1wmk s GLU 32 Ca -0.02 1.48 -0.16 0.00 0.36 0.00 0.00 54.97 56.63 1wmk s GLU 32 Cb -0.04 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.90 1wmk s GLU 32 CO 0.02 0.31 1.38 0.87 -0.54 0.00 0.00 175.26 177.30 1wmk h LYS 33 N 5.08 0.64 -0.07 4.30 1.57 -1.54 -0.43 116.57 126.11 1wmk h LYS 33 Ca -0.44 -0.37 -0.23 0.00 -1.87 0.00 0.00 60.65 57.74 1wmk h LYS 33 Cb 1.21 0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1wmk h LYS 33 CO 0.71 0.98 -0.86 0.66 -0.57 0.00 0.00 179.45 180.36 1wmk h SER 34 N 0.35 0.78 0.00 0.86 4.64 -1.94 -3.36 113.55 114.88 1wmk h SER 34 Ca 0.03 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1wmk h SER 34 Cb 0.91 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1wmk h SER 34 CO 0.08 1.35 -0.95 0.35 -0.87 0.00 0.00 176.83 176.78 1wmk n THR 35 N -3.86 0.00 -1.16 2.95 -2.24 -1.25 -5.01 114.28 103.70 1wmk n THR 35 Ca -0.08 -0.25 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 1wmk n THR 35 Cb 0.79 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1wmk n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wmk n GLY 36 N 1.51 0.71 3.74 3.38 0.00 -0.17 -4.97 105.19 109.39 1wmk n GLY 36 Ca 0.00 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 1wmk n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wmk s LEU 37 N -1.27 4.53 -0.08 0.99 1.43 -1.26 -4.75 118.68 118.27 1wmk s LEU 37 Ca 0.00 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.53 1wmk s LEU 37 Cb 0.00 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 1wmk s LEU 37 CO 0.00 0.03 1.49 -1.61 0.23 0.00 0.00 176.35 176.48 1wmk s GLU 38 N -0.36 4.21 0.13 1.70 0.41 -1.26 -2.67 118.70 120.87 1wmk s GLU 38 Ca 0.43 1.98 0.00 0.00 -0.41 0.00 0.00 54.97 56.97 1wmk s GLU 38 Cb -0.23 -3.85 -0.04 0.00 -1.78 0.00 0.00 34.13 28.23 1wmk s GLU 38 CO 0.28 -0.76 0.01 0.71 -0.49 0.00 0.00 175.26 175.01 1wmk s TYR 39 N 3.62 0.94 0.15 1.61 2.02 -1.20 -4.52 117.35 119.98 1wmk s TYR 39 Ca 0.66 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1wmk s TYR 39 Cb -0.29 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1wmk s TYR 39 CO 0.24 -0.35 0.29 0.00 -1.57 0.00 0.00 175.55 174.16 1wmk s ALA 40 N -3.85 3.95 -0.16 3.71 0.00 -0.67 -0.79 121.76 123.96 1wmk s ALA 40 Ca 0.21 -0.97 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1wmk s ALA 40 Cb 0.07 -1.83 0.06 0.00 0.00 0.00 0.00 23.12 21.42 1wmk s ALA 40 CO 0.00 0.56 0.07 0.00 0.00 0.00 0.00 175.76 176.40 1wmk s ALA 41 N -1.73 0.51 -0.59 0.00 0.00 -0.02 -1.50 121.76 118.43 1wmk s ALA 41 Ca 0.35 -0.31 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 1wmk s ALA 41 Cb -0.11 -1.00 0.14 0.00 0.00 0.00 0.00 23.12 22.14 1wmk s ALA 41 CO 0.28 -1.07 0.58 0.21 0.00 0.00 0.00 175.76 175.77 1wmk s LYS 42 N 2.09 3.08 -0.61 0.00 2.20 0.33 -0.63 119.74 126.20 1wmk s LYS 42 Ca 0.02 -1.72 -0.27 0.00 -0.36 0.00 0.00 55.97 53.63 1wmk s LYS 42 Cb -0.16 -4.32 0.01 0.00 -1.51 0.00 0.00 37.83 31.86 1wmk s LYS 42 CO -0.08 -1.37 1.46 -0.06 -0.36 0.00 0.00 175.35 174.93 1wmk s PHE 43 N 1.66 2.17 -0.22 4.03 0.40 -0.39 -0.91 117.98 124.73 1wmk s PHE 43 Ca 0.07 0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 56.66 1wmk s PHE 43 Cb -0.26 -4.40 -0.05 0.00 0.51 0.00 0.00 43.02 38.82 1wmk s PHE 43 CO 0.02 -2.07 0.26 0.42 0.70 0.00 0.00 175.22 174.56 1wmk s ILE 44 N 6.49 5.30 -0.07 0.64 1.01 -0.82 -1.61 121.20 132.13 1wmk s ILE 44 Ca 0.51 0.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 1wmk s ILE 44 Cb -0.10 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1wmk s ILE 44 CO 0.22 0.32 1.34 -0.75 0.00 0.00 0.00 174.94 176.06 1wmk s LYS 45 N 1.06 4.27 0.47 2.79 2.47 -1.06 -1.07 119.74 128.67 1wmk s LYS 45 Ca 0.13 1.82 -0.20 0.00 -1.56 0.00 0.00 55.97 56.16 1wmk s LYS 45 Cb -0.14 -3.68 -0.09 0.00 -1.46 0.00 0.00 37.83 32.46 1wmk s LYS 45 CO 0.05 -0.62 1.00 0.21 0.16 0.00 0.00 175.35 176.15 1wmk s LYS 46 N 2.89 3.96 0.54 4.03 2.20 -0.76 -1.87 119.74 130.73 1wmk s LYS 46 Ca 0.60 1.21 -0.12 0.00 -0.36 0.00 0.00 55.97 57.31 1wmk s LYS 46 Cb -0.27 -2.13 -0.05 0.00 -1.51 0.00 0.00 37.83 33.87 1wmk s LYS 46 CO 0.22 -0.28 0.95 0.50 -0.36 0.00 0.00 175.35 176.38 1wmk s ARG 47 N -3.35 3.72 0.00 4.03 3.52 -0.98 -4.52 118.95 121.37 1wmk s ARG 47 Ca 0.64 0.70 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1wmk s ARG 47 Cb -0.13 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.09 1wmk s ARG 47 CO 0.19 -0.36 0.14 1.04 -0.81 0.00 0.00 175.30 175.50 1wmk n GLN 48 N -2.14 0.00 0.01 5.12 1.13 -1.26 -4.97 117.38 115.26 1wmk n GLN 48 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1wmk n GLN 48 Cb 0.54 -0.57 0.00 0.00 0.11 0.00 0.00 30.24 30.33 1wmk n GLN 48 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1wmk n SER 49 N -0.39 -0.05 0.00 1.08 7.64 -1.26 -5.13 113.62 115.51 1wmk n SER 49 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1wmk n SER 49 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1wmk n SER 49 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wmk n ARG 50 N -2.55 0.00 -1.00 1.43 5.12 -1.26 -4.97 116.66 113.42 1wmk n ARG 50 Ca 0.00 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.71 1wmk n ARG 50 Cb 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.35 1wmk n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wmk n ALA 51 N -3.00 5.41 -1.79 7.54 0.00 -1.26 -4.96 120.51 122.46 1wmk n ALA 51 Ca 0.00 -2.10 -0.40 0.00 0.00 0.00 0.00 53.44 50.93 1wmk n ALA 51 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1wmk n ALA 51 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1wmk s SER 52 N -0.32 7.19 0.19 0.00 0.01 -1.26 -4.94 113.70 114.56 1wmk s SER 52 Ca 0.39 2.32 0.02 0.00 1.31 0.00 0.00 55.95 59.99 1wmk s SER 52 Cb 0.31 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.99 1wmk s SER 52 CO -0.01 -0.21 1.44 0.03 0.41 0.00 0.00 173.24 174.90 1wmk h ARG 53 N 3.89 0.26 -5.38 12.44 3.08 -2.04 -3.45 114.38 123.19 1wmk h ARG 53 Ca -0.47 -0.24 -0.62 0.00 0.07 0.00 0.00 59.98 58.72 1wmk h ARG 53 Cb 1.21 0.06 -0.12 0.00 0.08 0.00 0.00 29.97 31.20 1wmk h ARG 53 CO 0.67 0.91 -0.51 1.03 -1.07 0.00 0.00 179.97 181.00 1wmk s ARG 54 N -3.45 3.92 0.00 0.04 0.52 -1.26 -5.01 118.95 113.71 1wmk s ARG 54 Ca -0.04 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 1wmk s ARG 54 Cb 0.11 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.29 1wmk s ARG 54 CO 0.82 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.97 1wmk n GLY 55 N 3.13 2.92 3.73 -3.53 0.00 -1.26 -4.25 105.19 105.94 1wmk n GLY 55 Ca -0.17 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 1wmk n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wmk s VAL 56 N -2.55 4.11 0.67 1.61 1.01 -0.78 -4.69 120.40 119.79 1wmk s VAL 56 Ca 0.00 -1.27 -0.17 0.00 0.00 0.00 0.00 61.98 60.54 1wmk s VAL 56 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1wmk s VAL 56 CO 0.00 -0.13 1.20 -1.20 0.00 0.00 0.00 175.10 174.97 1wmk n SER 57 N -0.30 1.56 0.18 3.32 7.64 -1.26 -2.33 113.62 122.43 1wmk n SER 57 Ca -0.09 0.77 0.03 0.00 1.01 0.00 0.00 58.87 60.59 1wmk n SER 57 Cb 0.55 -1.51 0.33 0.00 -1.01 0.00 0.00 64.21 62.58 1wmk n SER 57 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1wmk h ARG 58 N 0.23 0.00 0.17 1.43 9.65 -1.99 -1.64 114.38 122.24 1wmk h ARG 58 Ca -0.50 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.07 1wmk h ARG 58 Cb 1.34 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.93 1wmk h ARG 58 CO 0.51 0.41 -1.43 1.49 2.80 0.00 0.00 179.97 183.75 1wmk h GLU 59 N 0.00 0.36 0.00 0.20 4.81 -2.00 -3.31 114.58 114.64 1wmk h GLU 59 Ca -0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1wmk h GLU 59 Cb 0.77 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1wmk h GLU 59 CO 0.05 1.28 -0.18 1.49 -0.73 0.00 0.00 179.01 180.92 1wmk h GLU 60 N 0.10 0.00 0.22 1.92 4.81 -1.91 -2.98 114.58 116.74 1wmk h GLU 60 Ca -0.22 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.68 1wmk h GLU 60 Cb 2.06 0.00 0.04 0.00 0.63 0.00 0.00 28.75 31.48 1wmk h GLU 60 CO 0.22 0.00 -1.43 0.97 -0.73 0.00 0.00 179.01 178.04 1wmk h ILE 61 N 0.00 1.28 0.00 2.32 6.09 -1.44 -3.12 117.51 122.65 1wmk h ILE 61 Ca 0.00 -2.64 0.00 0.00 -1.37 0.00 0.00 64.86 60.85 1wmk h ILE 61 Cb 0.86 2.96 0.00 0.00 0.47 0.00 0.00 36.82 41.11 1wmk h ILE 61 CO 0.00 0.80 0.00 -1.84 -3.07 0.00 0.00 178.15 174.04 1wmk n GLU 62 N -3.74 0.07 -0.01 2.19 0.28 -1.22 -2.58 120.64 115.63 1wmk n GLU 62 Ca -0.16 0.10 -0.17 0.00 -0.16 0.00 0.00 57.16 56.77 1wmk n GLU 62 Cb 1.08 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 32.32 1wmk n GLU 62 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1wmk h ARG 63 N 0.00 0.20 -0.49 3.44 2.43 -1.54 -2.55 114.38 115.87 1wmk h ARG 63 Ca 0.00 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1wmk h ARG 63 Cb 0.36 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1wmk h ARG 63 CO 0.00 1.06 0.25 1.49 -1.51 0.00 0.00 179.97 181.27 1wmk h GLU 64 N -0.52 0.67 0.12 0.20 4.81 -1.46 -2.71 114.58 115.69 1wmk h GLU 64 Ca -0.07 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1wmk h GLU 64 Cb 1.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.49 1wmk h GLU 64 CO 0.08 0.51 -0.06 0.28 -0.73 0.00 0.00 179.01 179.09 1wmk h VAL 65 N 0.68 1.05 -0.43 0.32 2.07 -1.60 -2.79 116.25 115.55 1wmk h VAL 65 Ca 0.17 -0.79 0.12 0.00 0.82 0.00 0.00 66.70 67.03 1wmk h VAL 65 Cb 0.05 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1wmk h VAL 65 CO -0.03 0.19 0.43 -1.28 0.02 0.00 0.00 177.57 176.90 1wmk h SER 66 N -0.54 0.00 0.18 0.57 0.87 -1.16 0.30 113.55 113.77 1wmk h SER 66 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1wmk h SER 66 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1wmk h SER 66 CO 0.03 0.00 -0.08 0.40 -0.53 0.00 0.00 176.83 176.64 1wmk h ILE 67 N 0.00 0.63 0.00 2.23 1.08 -1.48 -3.27 117.51 116.70 1wmk h ILE 67 Ca 0.20 -1.10 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 1wmk h ILE 67 Cb 1.07 1.09 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1wmk h ILE 67 CO -0.00 0.17 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.49 1wmk h LEU 68 N -0.95 0.00 -0.73 1.44 3.38 -0.19 0.25 115.31 118.51 1wmk h LEU 68 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1wmk h LEU 68 Cb 0.47 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1wmk h LEU 68 CO 0.04 0.07 -0.60 0.03 0.09 0.00 0.00 178.44 178.07 1wmk h ARG 69 N 0.00 0.10 -0.00 1.13 3.08 -1.28 -2.92 114.38 114.48 1wmk h ARG 69 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1wmk h ARG 69 Cb 0.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1wmk h ARG 69 CO 0.01 0.67 -0.02 1.04 -1.07 0.00 0.00 179.97 180.60 1wmk n GLN 70 N -3.84 0.51 -3.58 0.04 6.02 0.03 -4.76 117.38 111.80 1wmk n GLN 70 Ca -0.02 -0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 1wmk n GLN 70 Cb 0.61 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.27 1wmk n GLN 70 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1wmk s VAL 71 N -2.51 4.27 -0.42 5.09 1.01 -0.93 -5.00 120.40 121.90 1wmk s VAL 71 Ca 0.30 -1.47 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1wmk s VAL 71 Cb 0.20 -3.66 0.12 0.00 0.00 0.00 0.00 36.38 33.05 1wmk s VAL 71 CO 0.46 -0.57 0.17 -0.76 0.00 0.00 0.00 175.10 174.40 1wmk s LEU 72 N 1.42 3.86 -0.06 3.92 1.43 -1.26 -4.65 118.68 123.34 1wmk s LEU 72 Ca 0.04 -2.50 -0.24 0.00 -1.03 0.00 0.00 54.13 50.39 1wmk s LEU 72 Cb -0.24 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.62 1wmk s LEU 72 CO 0.02 -0.31 0.54 -2.28 0.23 0.00 0.00 176.35 174.55 1wmk s HIS 73 N 0.44 -0.49 0.23 0.29 2.46 -1.26 -5.07 115.29 111.89 1wmk s HIS 73 Ca 0.14 0.90 0.03 0.00 0.47 0.00 0.00 55.06 56.60 1wmk s HIS 73 Cb -0.22 0.28 0.24 0.00 -0.13 0.00 0.00 32.58 32.74 1wmk s HIS 73 CO -0.06 -0.49 1.56 1.12 -2.47 0.00 0.00 174.74 174.40 1wmk h HIS 74 N 3.60 0.36 -0.00 3.88 2.07 -1.97 -3.23 115.15 119.87 1wmk h HIS 74 Ca -0.28 -0.14 0.00 0.00 -2.85 0.00 0.00 60.37 57.10 1wmk h HIS 74 Cb 1.16 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.07 1wmk h HIS 74 CO 0.43 0.80 -0.40 -1.71 -3.07 0.00 0.00 177.93 173.98 1wmk n ASN 75 N -3.89 0.66 -4.57 3.10 4.05 -1.26 -4.82 115.26 108.52 1wmk n ASN 75 Ca -0.02 -0.45 -0.25 0.00 0.45 0.00 0.00 54.58 54.30 1wmk n ASN 75 Cb 0.61 0.19 -0.10 0.00 1.23 0.00 0.00 39.78 41.71 1wmk n ASN 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1wmk s VAL 76 N -2.82 2.44 0.73 3.44 -7.23 -1.22 -2.52 120.40 113.23 1wmk s VAL 76 Ca 0.16 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1wmk s VAL 76 Cb 0.18 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.49 1wmk s VAL 76 CO 0.63 -0.23 1.09 -0.51 -0.31 0.00 0.00 175.10 175.77 1wmk s ILE 77 N -2.56 3.47 -0.08 -0.62 2.07 -0.97 -4.64 121.20 117.87 1wmk s ILE 77 Ca 0.33 0.52 0.01 0.00 -1.41 0.00 0.00 60.65 60.10 1wmk s ILE 77 Cb 0.00 -3.06 0.02 0.00 0.13 0.00 0.00 42.46 39.56 1wmk s ILE 77 CO 0.17 -0.59 -0.10 0.42 -1.91 0.00 0.00 174.94 172.93 1wmk s THR 78 N -2.83 1.06 -0.05 4.00 -4.23 -1.26 -4.77 115.64 107.55 1wmk s THR 78 Ca 0.61 -0.40 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1wmk s THR 78 Cb -0.17 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 1wmk s THR 78 CO 0.53 0.35 1.16 -0.22 -0.54 0.00 0.00 174.62 175.90 1wmk s LEU 79 N 0.95 4.28 -0.11 4.79 2.96 -1.26 -2.22 118.68 128.06 1wmk s LEU 79 Ca -0.09 1.77 -0.04 0.00 -0.22 0.00 0.00 54.13 55.55 1wmk s LEU 79 Cb -0.15 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 1wmk s LEU 79 CO 0.00 -0.54 -0.07 -0.74 -1.32 0.00 0.00 176.35 173.68 1wmk h HIS 80 N 7.33 0.00 -3.68 5.38 -0.00 -0.97 -3.48 115.15 119.73 1wmk h HIS 80 Ca -0.34 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.92 1wmk h HIS 80 Cb 1.16 0.00 -0.17 0.00 -0.00 0.00 0.00 27.41 28.41 1wmk h HIS 80 CO 0.72 0.00 -0.42 0.34 -0.00 0.00 0.00 177.93 178.57 1wmk s ASP 81 N -5.55 0.09 -0.15 3.26 3.68 -0.70 -5.01 116.67 112.29 1wmk s ASP 81 Ca -0.06 -0.48 0.02 0.00 2.13 0.00 0.00 52.55 54.16 1wmk s ASP 81 Cb 0.01 0.28 0.02 0.00 -1.45 0.00 0.00 42.92 41.78 1wmk s ASP 81 CO 0.09 -0.58 -0.19 -0.69 0.13 0.00 0.00 175.17 173.92 1wmk s VAL 82 N -2.87 1.92 0.06 1.11 1.01 -1.26 -0.22 120.40 120.15 1wmk s VAL 82 Ca -0.03 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1wmk s VAL 82 Cb 0.00 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1wmk s VAL 82 CO -0.06 0.52 -0.25 -0.31 0.00 0.00 0.00 175.10 175.00 1wmk s TYR 83 N 1.06 2.22 0.02 5.22 1.51 -0.70 -4.28 117.35 122.39 1wmk s TYR 83 Ca -0.02 -0.40 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1wmk s TYR 83 Cb -0.14 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1wmk s TYR 83 CO -0.06 0.16 0.08 -1.83 -1.11 0.00 0.00 175.55 172.78 1wmk s GLU 84 N -1.39 0.49 0.03 -0.62 -1.05 -1.25 -1.35 118.70 113.56 1wmk s GLU 84 Ca 0.11 -0.62 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 1wmk s GLU 84 Cb -0.10 0.19 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1wmk s GLU 84 CO 0.03 -0.11 0.00 0.27 0.95 0.00 0.00 175.26 176.39 1wmk n ASN 85 N 1.15 0.12 0.02 0.83 6.94 -1.11 -4.70 115.26 118.52 1wmk n ASN 85 Ca -0.21 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.39 1wmk n ASN 85 Cb 0.57 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.97 1wmk n ASN 85 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1wmk n ARG 86 N -2.68 0.00 0.14 -3.83 0.63 -1.26 -4.97 116.66 104.70 1wmk n ARG 86 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1wmk n ARG 86 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1wmk n ARG 86 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1wmk h THR 87 N 0.00 0.74 -3.03 5.15 2.02 -1.97 -3.45 112.91 112.38 1wmk h THR 87 Ca 0.00 -0.62 -0.41 0.00 0.77 0.00 0.00 66.41 66.15 1wmk h THR 87 Cb 0.00 1.07 -0.14 0.00 -1.74 0.00 0.00 68.15 67.33 1wmk h THR 87 CO 0.00 0.12 -0.73 -1.81 0.37 0.00 0.00 175.52 173.48 1wmk s ASP 88 N -5.12 2.33 -0.33 4.18 1.01 -1.26 -1.84 116.67 115.64 1wmk s ASP 88 Ca -0.14 -1.02 -0.01 0.00 0.71 0.00 0.00 52.55 52.08 1wmk s ASP 88 Cb 0.02 -0.10 0.07 0.00 1.01 0.00 0.00 42.92 43.93 1wmk s ASP 88 CO 0.55 -0.23 0.05 -0.69 0.21 0.00 0.00 175.17 175.07 1wmk s VAL 89 N -3.09 2.93 -0.13 -1.27 1.01 -0.23 -2.74 120.40 116.88 1wmk s VAL 89 Ca 0.21 -1.71 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 1wmk s VAL 89 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1wmk s VAL 89 CO 0.05 -0.32 0.40 0.54 0.00 0.00 0.00 175.10 175.77 1wmk s VAL 90 N 1.17 5.23 -0.26 2.92 0.11 -0.45 -1.95 120.40 127.17 1wmk s VAL 90 Ca 0.00 0.79 -0.07 0.00 -2.93 0.00 0.00 61.98 59.77 1wmk s VAL 90 Cb -0.20 -3.74 -0.02 0.00 -1.53 0.00 0.00 36.38 30.89 1wmk s VAL 90 CO -0.03 0.36 0.06 -0.76 -3.33 0.00 0.00 175.10 171.40 1wmk s LEU 91 N 0.47 3.46 -0.46 2.54 1.43 -0.09 -1.73 118.68 124.31 1wmk s LEU 91 Ca 0.22 -0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 52.71 1wmk s LEU 91 Cb -0.14 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.21 1wmk s LEU 91 CO 0.08 -0.07 1.04 -0.63 0.23 0.00 0.00 176.35 177.00 1wmk s ILE 92 N 1.58 4.34 0.41 -0.59 1.09 0.70 -0.51 121.20 128.21 1wmk s ILE 92 Ca 0.06 1.05 0.07 0.00 -1.10 0.00 0.00 60.65 60.73 1wmk s ILE 92 Cb -0.15 -4.52 -0.04 0.00 -1.06 0.00 0.00 42.46 36.69 1wmk s ILE 92 CO 0.03 -0.90 0.24 -0.76 -0.10 0.00 0.00 174.94 173.44 1wmk s LEU 93 N 4.10 3.21 -0.14 2.97 1.43 -0.56 -0.32 118.68 129.37 1wmk s LEU 93 Ca 0.43 -0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 1wmk s LEU 93 Cb -0.09 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 1wmk s LEU 93 CO 0.28 -0.57 1.65 -0.70 0.23 0.00 0.00 176.35 177.25 1wmk s GLU 94 N -3.97 3.95 0.20 1.70 2.12 -0.94 -1.66 118.70 120.10 1wmk s GLU 94 Ca 0.43 1.92 -0.32 0.00 0.36 0.00 0.00 54.97 57.37 1wmk s GLU 94 Cb 0.01 -4.02 -0.11 0.00 0.26 0.00 0.00 34.13 30.27 1wmk s GLU 94 CO 0.24 -1.11 1.65 -1.17 -0.54 0.00 0.00 175.26 174.33 1wmk s LEU 95 N 4.76 4.37 -0.12 2.70 2.96 -1.26 -4.72 118.68 127.37 1wmk s LEU 95 Ca 0.73 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 57.43 1wmk s LEU 95 Cb -0.29 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.82 1wmk s LEU 95 CO 0.29 -0.91 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.62 1wmk s VAL 96 N 1.00 1.24 -0.40 1.68 1.01 -1.26 -4.95 120.40 118.72 1wmk s VAL 96 Ca 0.71 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 62.31 1wmk s VAL 96 Cb -0.47 -1.20 0.21 0.00 0.00 0.00 0.00 36.38 34.92 1wmk s VAL 96 CO 0.34 0.40 0.45 -1.54 0.00 0.00 0.00 175.10 174.75 1wmk n SER 97 N 4.68 -0.22 -0.41 3.32 3.41 -1.25 -4.88 113.62 118.28 1wmk n SER 97 Ca -0.16 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 1wmk n SER 97 Cb 0.50 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1wmk n SER 97 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmk n GLY 98 N 2.05 0.06 0.68 5.00 0.00 -0.76 -4.66 105.19 107.56 1wmk n GLY 98 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1wmk n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmk n GLY 99 N 0.00 -1.77 3.77 -0.02 0.00 -1.26 -4.52 105.19 101.39 1wmk n GLY 99 Ca 0.00 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1wmk n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wmk s GLU 100 N -1.87 2.07 0.11 1.61 2.02 -1.26 -1.97 118.70 119.41 1wmk s GLU 100 Ca 0.00 1.00 -0.18 0.00 0.02 0.00 0.00 54.97 55.81 1wmk s GLU 100 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 1wmk s GLU 100 CO 0.00 -1.72 1.67 1.25 0.02 0.00 0.00 175.26 176.47 1wmk h LEU 101 N -1.18 0.37 -1.89 1.80 5.85 -1.31 -2.86 115.31 116.09 1wmk h LEU 101 Ca -0.45 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.09 1wmk h LEU 101 Cb 1.24 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1wmk h LEU 101 CO 0.54 0.42 -0.13 -0.26 -0.34 0.00 0.00 178.44 178.67 1wmk h PHE 102 N 0.30 0.00 -0.18 1.25 -1.00 -1.82 -0.72 116.94 114.77 1wmk h PHE 102 Ca 0.09 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.84 1wmk h PHE 102 Cb 0.15 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1wmk h PHE 102 CO -0.01 0.13 -0.03 0.22 -1.61 0.00 0.00 178.31 177.00 1wmk h ASP 103 N 0.00 0.35 -0.45 2.17 1.82 -1.89 -1.63 116.42 116.79 1wmk h ASP 103 Ca -0.00 -0.35 -0.07 0.00 -0.39 0.00 0.00 57.03 56.22 1wmk h ASP 103 Cb 0.29 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1wmk h ASP 103 CO 0.02 0.62 0.03 0.15 -1.61 0.00 0.00 179.24 178.45 1wmk h PHE 104 N 0.07 0.89 0.00 0.28 3.04 -1.13 -2.59 116.94 117.50 1wmk h PHE 104 Ca 0.05 -0.12 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 1wmk h PHE 104 Cb 0.46 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1wmk h PHE 104 CO 0.05 0.80 -0.27 -0.07 -2.02 0.00 0.00 178.31 176.79 1wmk h LEU 105 N 0.79 0.00 -1.15 0.59 3.38 -1.15 -2.46 115.31 115.32 1wmk h LEU 105 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1wmk h LEU 105 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wmk h LEU 105 CO 0.02 0.27 -0.42 0.00 0.09 0.00 0.00 178.44 178.40 1wmk h ALA 106 N 1.73 1.25 -0.36 1.53 0.00 -0.89 -3.07 119.26 119.45 1wmk h ALA 106 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 1wmk h ALA 106 Cb 0.82 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1wmk h ALA 106 CO 0.04 0.52 -0.07 0.37 0.00 0.00 0.00 179.25 180.11 1wmk h GLN 107 N 0.00 0.67 -6.53 0.00 5.75 -1.30 -3.46 115.11 110.25 1wmk h GLN 107 Ca -0.00 -0.25 -0.60 0.00 -0.15 0.00 0.00 58.65 57.65 1wmk h GLN 107 Cb 0.76 -0.04 0.10 0.00 1.07 0.00 0.00 27.48 29.37 1wmk h GLN 107 CO 0.05 0.83 0.36 1.63 -2.65 0.00 0.00 178.83 179.05 1wmk n LYS 108 N -4.42 1.66 0.03 1.69 4.76 -1.16 -4.93 118.16 115.78 1wmk n LYS 108 Ca -0.02 0.58 0.11 0.00 -2.87 0.00 0.00 58.31 56.12 1wmk n LYS 108 Cb 0.33 -2.10 -0.10 0.00 -1.84 0.00 0.00 35.03 31.32 1wmk n LYS 108 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1wmk n GLU 109 N 1.25 0.59 0.00 1.97 0.00 -1.26 -4.84 120.64 118.35 1wmk n GLU 109 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.19 1wmk n GLU 109 Cb 0.31 -1.62 0.00 0.00 0.00 0.00 0.00 31.44 30.13 1wmk n GLU 109 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1wmk n SER 110 N -2.34 0.00 -2.37 -1.84 3.41 -1.26 -5.05 113.62 104.17 1wmk n SER 110 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 1wmk n SER 110 Cb 0.54 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1wmk n SER 110 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1wmk n LEU 111 N -1.26 -5.36 -4.95 1.04 7.94 -1.26 -4.68 117.00 108.47 1wmk n LEU 111 Ca 0.00 2.40 -0.27 0.00 -1.11 0.00 0.00 56.01 57.03 1wmk n LEU 111 Cb 0.00 -2.90 0.14 0.00 0.53 0.00 0.00 43.42 41.19 1wmk n LEU 111 CO 0.00 -2.87 0.73 -0.94 -1.11 0.00 0.00 177.39 173.20 1wmk s SER 112 N -0.48 3.79 0.30 1.96 1.04 -1.26 -3.17 113.70 115.87 1wmk s SER 112 Ca -0.04 0.11 0.16 0.00 0.48 0.00 0.00 55.95 56.65 1wmk s SER 112 Cb 0.00 -0.35 0.12 0.00 0.10 0.00 0.00 66.02 65.89 1wmk s SER 112 CO 0.12 -2.27 1.47 -0.08 0.98 0.00 0.00 173.24 173.46 1wmk h GLU 113 N -1.12 0.00 -0.06 4.02 4.81 -1.58 -1.35 114.58 119.30 1wmk h GLU 113 Ca -0.42 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.76 1wmk h GLU 113 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1wmk h GLU 113 CO 0.43 0.46 -0.16 1.49 -0.73 0.00 0.00 179.01 180.50 1wmk h GLU 114 N 0.00 0.21 -0.60 1.92 4.81 -1.74 -2.41 114.58 116.78 1wmk h GLU 114 Ca -0.00 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1wmk h GLU 114 Cb 1.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 1wmk h GLU 114 CO 0.06 0.76 0.40 0.93 -0.73 0.00 0.00 179.01 180.43 1wmk h GLU 115 N -0.31 0.66 -0.33 1.92 5.08 -1.88 -2.31 114.58 117.41 1wmk h GLU 115 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1wmk h GLU 115 Cb 0.77 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1wmk h GLU 115 CO 0.03 0.44 0.03 0.00 -1.00 0.00 0.00 179.01 178.51 1wmk h ALA 116 N 1.66 0.44 -0.02 3.43 0.00 -1.23 -2.89 119.26 120.65 1wmk h ALA 116 Ca 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wmk h ALA 116 Cb 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1wmk h ALA 116 CO -0.07 0.16 0.01 1.15 0.00 0.00 0.00 179.25 180.51 1wmk h THR 117 N 0.38 0.71 -0.55 0.00 2.02 -0.89 -1.97 112.91 112.61 1wmk h THR 117 Ca 0.10 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.38 1wmk h THR 117 Cb 0.39 0.99 -0.09 0.00 -1.74 0.00 0.00 68.15 67.70 1wmk h THR 117 CO 0.01 0.00 0.04 -1.28 0.37 0.00 0.00 175.52 174.66 1wmk h SER 118 N 0.00 -0.16 0.02 4.18 0.87 -1.33 -1.70 113.55 115.44 1wmk h SER 118 Ca 0.01 0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1wmk h SER 118 Cb 0.04 0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1wmk h SER 118 CO -0.00 -0.05 -0.67 -0.26 -0.53 0.00 0.00 176.83 175.32 1wmk h PHE 119 N 0.16 0.63 -0.83 2.24 -1.00 -1.49 -3.05 116.94 113.60 1wmk h PHE 119 Ca 0.28 -0.36 0.13 0.00 2.81 0.00 0.00 57.97 60.84 1wmk h PHE 119 Cb 0.43 -0.07 -0.09 0.00 3.61 0.00 0.00 35.95 39.84 1wmk h PHE 119 CO -0.30 1.19 0.43 0.82 -1.61 0.00 0.00 178.31 178.84 1wmk h ILE 120 N -0.11 0.76 -0.67 -0.55 1.08 -1.42 -0.63 117.51 115.98 1wmk h ILE 120 Ca -0.09 -0.22 -0.02 0.00 -0.39 0.00 0.00 64.86 64.14 1wmk h ILE 120 Cb 1.39 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 1wmk h ILE 120 CO 0.13 0.12 0.33 0.50 -0.69 0.00 0.00 178.15 178.54 1wmk h LYS 121 N 0.64 0.96 -0.13 2.37 3.11 -1.35 -1.22 116.57 120.95 1wmk h LYS 121 Ca 0.44 -0.14 0.05 0.00 -2.81 0.00 0.00 60.65 58.19 1wmk h LYS 121 Cb 0.58 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 31.59 1wmk h LYS 121 CO -0.34 0.75 -0.21 1.96 -2.81 0.00 0.00 179.45 178.80 1wmk h GLN 122 N 0.92 -0.26 0.05 1.90 4.20 -1.03 -0.07 115.11 120.83 1wmk h GLN 122 Ca 0.23 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.98 1wmk h GLN 122 Cb 0.10 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1wmk h GLN 122 CO -0.03 -0.17 -0.29 0.82 -0.67 0.00 0.00 178.83 178.49 1wmk h ILE 123 N -0.27 0.36 -0.83 2.54 5.03 -0.89 -1.71 117.51 121.75 1wmk h ILE 123 Ca 0.10 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 65.01 1wmk h ILE 123 Cb 0.42 0.36 -0.06 0.00 -3.03 0.00 0.00 36.82 34.51 1wmk h ILE 123 CO -0.29 0.00 0.55 -0.07 -0.68 0.00 0.00 178.15 177.66 1wmk h LEU 124 N -0.46 0.46 0.43 1.44 3.38 -0.87 -1.25 115.31 118.44 1wmk h LEU 124 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1wmk h LEU 124 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wmk h LEU 124 CO -0.21 0.22 -0.21 0.44 0.09 0.00 0.00 178.44 178.77 1wmk h ASP 125 N 0.48 -0.49 -0.78 -0.43 5.19 -0.08 0.21 116.42 120.52 1wmk h ASP 125 Ca 0.42 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.83 1wmk h ASP 125 Cb 0.91 0.13 -0.04 0.00 0.18 0.00 0.00 39.33 40.50 1wmk h ASP 125 CO -0.16 -0.28 0.52 1.23 -3.12 0.00 0.00 179.24 177.43 1wmk h GLY 126 N -0.67 1.10 1.03 2.75 0.00 -1.10 -2.29 103.07 103.89 1wmk h GLY 126 Ca -0.06 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 1wmk h GLY 126 CO 0.10 0.34 -0.22 -2.08 0.00 0.00 0.00 176.54 174.67 1wmk h VAL 127 N 0.97 1.28 -0.77 4.60 2.07 -1.02 -2.86 116.25 120.52 1wmk h VAL 127 Ca 0.31 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1wmk h VAL 127 Cb 0.03 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1wmk h VAL 127 CO -0.09 0.46 0.41 -1.13 0.02 0.00 0.00 177.57 177.24 1wmk h ASN 128 N 0.65 0.98 -0.85 0.57 -1.24 -0.16 -1.52 115.58 114.01 1wmk h ASN 128 Ca 0.08 -0.11 0.08 0.00 0.71 0.00 0.00 56.30 57.07 1wmk h ASN 128 Cb 0.78 -0.25 -0.07 0.00 0.73 0.00 0.00 38.32 39.51 1wmk h ASN 128 CO 0.06 0.81 0.51 0.22 -1.29 0.00 0.00 177.43 177.74 1wmk h TYR 129 N 1.08 0.93 0.00 0.67 3.20 -1.24 -0.89 116.97 120.71 1wmk h TYR 129 Ca 0.27 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1wmk h TYR 129 Cb 0.06 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1wmk h TYR 129 CO 0.00 0.42 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.87 1wmk h LEU 130 N 0.88 -0.00 -2.11 2.82 3.38 -1.21 -2.87 115.31 116.21 1wmk h LEU 130 Ca 0.39 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1wmk h LEU 130 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wmk h LEU 130 CO -0.21 0.36 0.15 0.45 0.09 0.00 0.00 178.44 179.28 1wmk h HIS 131 N -0.37 0.00 -0.29 1.13 3.86 -0.88 0.44 115.15 119.04 1wmk h HIS 131 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1wmk h HIS 131 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1wmk h HIS 131 CO 0.05 0.00 -0.04 1.15 0.86 0.00 0.00 177.93 179.95 1wmk h THR 132 N 0.00 1.27 0.00 2.45 2.02 -0.97 -2.50 112.91 115.18 1wmk h THR 132 Ca 0.09 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1wmk h THR 132 Cb 0.38 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1wmk h THR 132 CO -0.00 0.33 0.00 0.29 0.37 0.00 0.00 175.52 176.51 1wmk n LYS 133 N -4.53 0.96 -3.29 6.66 4.76 -0.38 -4.86 118.16 117.47 1wmk n LYS 133 Ca -0.03 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.17 1wmk n LYS 133 Cb 0.29 -1.07 0.05 0.00 -1.84 0.00 0.00 35.03 32.46 1wmk n LYS 133 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wmk n LYS 134 N -0.42 -5.99 -4.51 1.97 4.01 -0.94 -4.94 118.16 107.34 1wmk n LYS 134 Ca 0.00 0.85 -0.34 0.00 -0.51 0.00 0.00 58.31 58.31 1wmk n LYS 134 Cb 0.04 -5.78 -0.11 0.00 -0.51 0.00 0.00 35.03 28.67 1wmk n LYS 134 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wmk s ILE 135 N -3.23 3.93 -0.22 -0.18 1.01 0.00 -1.91 121.20 120.60 1wmk s ILE 135 Ca 0.43 -0.39 0.01 0.00 0.00 0.00 0.00 60.65 60.70 1wmk s ILE 135 Cb -0.19 -2.64 0.05 0.00 0.01 0.00 0.00 42.46 39.69 1wmk s ILE 135 CO 0.53 0.59 -0.09 0.00 0.00 0.00 0.00 174.94 175.97 1wmk s ALA 136 N -0.65 2.07 -0.66 9.38 0.00 -1.14 -3.31 121.76 127.45 1wmk s ALA 136 Ca 0.10 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.47 1wmk s ALA 136 Cb -0.12 -1.37 0.04 0.00 0.00 0.00 0.00 23.12 21.67 1wmk s ALA 136 CO 0.02 -0.99 1.13 -1.58 0.00 0.00 0.00 175.76 174.33 1wmk s HIS 137 N 1.35 2.52 -0.15 0.00 2.46 -1.26 -2.41 115.29 117.81 1wmk s HIS 137 Ca -0.04 -0.10 0.20 0.00 0.47 0.00 0.00 55.06 55.60 1wmk s HIS 137 Cb -0.18 -4.43 0.39 0.00 -0.13 0.00 0.00 32.58 28.24 1wmk s HIS 137 CO -0.07 -1.76 1.60 0.74 -2.47 0.00 0.00 174.74 172.78 1wmk h PHE 138 N 9.71 0.00 -2.96 3.88 0.04 -1.74 -3.39 116.94 122.47 1wmk h PHE 138 Ca -0.27 0.00 -0.72 0.00 2.80 0.00 0.00 57.97 59.78 1wmk h PHE 138 Cb 1.06 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.01 1wmk h PHE 138 CO 1.03 0.29 0.41 0.34 -0.60 0.00 0.00 178.31 179.78 1wmk s ASP 139 N -6.30 6.53 -0.61 2.17 2.15 -1.25 -4.92 116.67 114.44 1wmk s ASP 139 Ca 0.04 -2.02 0.04 0.00 0.43 0.00 0.00 52.55 51.04 1wmk s ASP 139 Cb 0.08 -2.32 0.15 0.00 -0.30 0.00 0.00 42.92 40.53 1wmk s ASP 139 CO 0.69 -0.95 0.38 -0.76 -0.17 0.00 0.00 175.17 174.37 1wmk s LEU 140 N 2.01 4.51 0.30 -1.34 1.43 -1.26 -4.93 118.68 119.39 1wmk s LEU 140 Ca 0.22 -3.45 0.11 0.00 -1.03 0.00 0.00 54.13 49.97 1wmk s LEU 140 Cb -0.12 -1.61 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 1wmk s LEU 140 CO -0.04 -0.15 -0.15 -1.59 0.23 0.00 0.00 176.35 174.64 1wmk s LYS 141 N -0.89 1.71 0.65 1.70 -2.85 -1.26 -4.80 119.74 113.99 1wmk s LYS 141 Ca 0.21 -1.83 0.34 0.00 -1.00 0.00 0.00 55.97 53.69 1wmk s LYS 141 Cb -0.14 -1.70 1.84 0.00 -2.06 0.00 0.00 37.83 35.77 1wmk s LYS 141 CO -0.09 0.24 2.08 -1.35 0.10 0.00 0.00 175.35 176.33 1wmk h PRO 142 N 2.19 0.00 0.00 1.78 0.11 -1.98 0.13 132.00 134.23 1wmk h PRO 142 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wmk h PRO 142 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wmk h PRO 142 CO 0.64 0.00 -0.13 0.93 -0.21 0.00 0.00 178.00 179.24 1wmk h GLU 143 N 0.00 0.00 0.00 1.05 3.07 -2.00 -3.19 114.58 113.50 1wmk h GLU 143 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1wmk h GLU 143 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1wmk h GLU 143 CO -0.00 0.00 -0.86 0.09 -1.40 0.00 0.00 179.01 176.84 1wmk n ASN 144 N -2.36 0.65 -4.42 1.42 5.03 0.43 -4.75 115.26 111.25 1wmk n ASN 144 Ca 0.05 -0.34 -0.44 0.00 0.87 0.00 0.00 54.58 54.72 1wmk n ASN 144 Cb 0.45 0.65 -0.03 0.00 -1.02 0.00 0.00 39.78 39.82 1wmk n ASN 144 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1wmk s ILE 145 N -3.11 4.71 0.41 2.41 1.01 -1.03 -2.73 121.20 122.87 1wmk s ILE 145 Ca 0.07 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.61 1wmk s ILE 145 Cb 0.15 -4.66 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1wmk s ILE 145 CO 0.78 -1.37 0.45 -0.04 0.00 0.00 0.00 174.94 174.77 1wmk s MET 146 N 2.86 2.68 0.00 2.79 -1.94 -0.14 -1.08 119.30 124.48 1wmk s MET 146 Ca 0.24 -1.39 0.06 0.00 -1.71 0.00 0.00 55.69 52.89 1wmk s MET 146 Cb -0.13 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.14 1wmk s MET 146 CO -0.00 -0.20 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.12 1wmk s LEU 147 N -4.21 2.07 -0.07 -0.03 1.02 -0.83 -0.22 118.68 116.41 1wmk s LEU 147 Ca 0.50 -0.38 -0.22 0.00 0.02 0.00 0.00 54.13 54.05 1wmk s LEU 147 Cb -0.06 -0.91 -0.18 0.00 0.02 0.00 0.00 46.19 45.06 1wmk s LEU 147 CO 0.30 0.19 0.87 0.25 0.02 0.00 0.00 176.35 177.98 1wmk h LEU 148 N 5.45 -0.11 -7.79 1.79 6.46 -1.73 -2.02 115.31 117.37 1wmk h LEU 148 Ca -0.38 -0.48 -0.31 0.00 -0.12 0.00 0.00 57.88 56.59 1wmk h LEU 148 Cb 1.15 0.03 -0.30 0.00 -0.73 0.00 0.00 40.66 40.81 1wmk h LEU 148 CO 0.47 0.52 -0.74 -0.62 -0.62 0.00 0.00 178.44 177.44 1wmk s ASP 149 N -5.66 0.43 0.30 1.25 2.15 -1.26 -3.75 116.67 110.13 1wmk s ASP 149 Ca -0.14 -0.06 0.21 0.00 0.43 0.00 0.00 52.55 52.99 1wmk s ASP 149 Cb -0.00 -0.10 0.14 0.00 -0.30 0.00 0.00 42.92 42.67 1wmk s ASP 149 CO 0.52 0.01 1.33 0.50 -0.17 0.00 0.00 175.17 177.37 1wmk h LYS 150 N 6.36 0.00 0.00 4.34 3.64 -1.83 -3.37 116.57 125.71 1wmk h LYS 150 Ca -0.31 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.93 1wmk h LYS 150 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1wmk h LYS 150 CO 0.50 0.11 -0.70 -0.91 -2.27 0.00 0.00 179.45 176.18 1wmk h ASN 151 N 0.00 0.00 -3.92 4.20 2.35 -1.97 -3.46 115.58 112.78 1wmk h ASN 151 Ca -0.02 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.21 1wmk h ASN 151 Cb 1.12 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.57 1wmk h ASN 151 CO 0.02 0.70 0.64 -0.63 -1.65 0.00 0.00 177.43 176.50 1wmk s ILE 152 N -3.24 2.59 0.16 2.81 1.01 -1.26 -4.94 121.20 118.34 1wmk s ILE 152 Ca 0.00 0.56 -0.21 0.00 0.00 0.00 0.00 60.65 61.00 1wmk s ILE 152 Cb 0.11 -3.34 0.07 0.00 0.01 0.00 0.00 42.46 39.30 1wmk s ILE 152 CO 0.77 0.11 1.62 1.55 0.00 0.00 0.00 174.94 178.99 1wmk h PRO 153 N 2.98 -0.20 -4.71 2.79 0.13 -1.96 -3.34 132.00 127.69 1wmk h PRO 153 Ca -0.49 0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1wmk h PRO 153 Cb 1.24 0.05 -0.36 0.00 0.13 0.00 0.00 31.00 32.05 1wmk h PRO 153 CO 0.64 -0.13 -0.70 0.42 -0.23 0.00 0.00 178.00 178.00 1wmk s ILE 154 N -6.08 2.67 0.75 -3.56 1.01 -1.26 -5.12 121.20 109.60 1wmk s ILE 154 Ca -0.15 -1.84 -0.12 0.00 0.00 0.00 0.00 60.65 58.54 1wmk s ILE 154 Cb 0.14 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.93 1wmk s ILE 154 CO 0.69 -0.34 1.13 -2.84 0.00 0.00 0.00 174.94 173.57 1wmk s PRO 155 N 1.10 2.51 0.02 2.79 0.02 -1.26 -5.05 135.00 135.13 1wmk s PRO 155 Ca 0.01 0.32 -0.19 0.00 0.02 0.00 0.00 61.00 61.16 1wmk s PRO 155 Cb -0.20 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.27 1wmk s PRO 155 CO -0.05 -1.25 0.56 -1.58 -0.33 0.00 0.00 177.00 174.36 1wmk s HIS 156 N -3.44 3.73 -0.19 6.54 2.46 -1.26 -5.02 115.29 118.10 1wmk s HIS 156 Ca 0.60 1.20 -0.09 0.00 0.47 0.00 0.00 55.06 57.23 1wmk s HIS 156 Cb -0.11 -2.54 -0.05 0.00 -0.13 0.00 0.00 32.58 29.75 1wmk s HIS 156 CO 0.51 0.46 0.12 0.42 -2.47 0.00 0.00 174.74 173.77 1wmk s ILE 157 N -0.58 5.29 -0.02 0.89 1.01 -1.26 -2.04 121.20 124.48 1wmk s ILE 157 Ca 0.29 0.14 0.08 0.00 0.00 0.00 0.00 60.65 61.17 1wmk s ILE 157 Cb -0.18 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 1wmk s ILE 157 CO 0.17 0.45 -0.26 -0.54 0.00 0.00 0.00 174.94 174.77 1wmk s LYS 158 N 0.31 2.14 -0.18 2.79 -0.14 0.69 -4.44 119.74 120.91 1wmk s LYS 158 Ca 0.07 -0.92 -0.07 0.00 -1.36 0.00 0.00 55.97 53.69 1wmk s LYS 158 Cb -0.11 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 1wmk s LYS 158 CO -0.01 0.55 0.05 -0.51 -0.76 0.00 0.00 175.35 174.66 1wmk s LEU 159 N -0.59 3.68 0.00 3.17 1.43 -1.05 -0.96 118.68 124.36 1wmk s LEU 159 Ca 0.09 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 1wmk s LEU 159 Cb -0.10 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wmk s LEU 159 CO -0.01 0.15 0.02 2.30 0.23 0.00 0.00 176.35 179.04 1wmk n ILE 160 N 3.67 0.00 -3.16 -0.59 -5.35 -1.11 -2.30 119.36 110.53 1wmk n ILE 160 Ca -0.17 -2.44 -0.12 0.00 -0.27 0.00 0.00 62.75 59.75 1wmk n ILE 160 Cb 0.52 0.54 0.01 0.00 -1.74 0.00 0.00 39.64 38.97 1wmk n ILE 160 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1wmk n ASP 161 N -1.34 -7.11 -1.53 7.28 -0.08 -1.26 -4.90 116.55 107.62 1wmk n ASP 161 Ca -0.19 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.05 1wmk n ASP 161 Cb 0.65 -4.30 0.19 0.00 2.34 0.00 0.00 41.12 40.00 1wmk n ASP 161 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1wmk n PHE 162 N -1.15 1.54 -0.31 -0.67 3.01 -1.26 -4.32 117.46 114.29 1wmk n PHE 162 Ca -0.02 -0.83 0.01 0.00 1.01 0.00 0.00 57.45 57.63 1wmk n PHE 162 Cb 0.54 -0.49 0.20 0.00 -0.01 0.00 0.00 39.48 39.71 1wmk n PHE 162 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1wmk h GLY 163 N 3.44 1.32 -4.63 1.37 0.00 -1.93 -2.88 103.07 99.76 1wmk h GLY 163 Ca 0.17 -0.45 -0.72 0.00 0.00 0.00 0.00 47.33 46.32 1wmk h GLY 163 CO 0.47 0.39 0.82 1.04 0.00 0.00 0.00 176.54 179.25 1wmk n LEU 164 N -4.44 7.30 -4.55 3.11 4.32 -1.26 -4.87 117.00 116.60 1wmk n LEU 164 Ca 0.12 -4.70 -0.28 0.00 -0.02 0.00 0.00 56.01 51.13 1wmk n LEU 164 Cb 0.10 -0.97 -0.10 0.00 -1.62 0.00 0.00 43.42 40.83 1wmk n LEU 164 CO 0.35 1.72 -0.44 0.00 -1.22 0.00 0.00 177.39 177.80 1wmk s ALA 165 N -3.95 2.87 -0.17 -1.18 0.00 -1.09 -1.80 121.76 116.44 1wmk s ALA 165 Ca 0.55 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1wmk s ALA 165 Cb 0.46 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1wmk s ALA 165 CO -0.27 0.55 0.42 -1.58 0.00 0.00 0.00 175.76 174.88 1wmk s HIS 166 N -1.42 -0.62 -0.26 0.00 2.46 -1.01 -4.86 115.29 109.58 1wmk s HIS 166 Ca 0.22 1.31 -0.29 0.00 0.47 0.00 0.00 55.06 56.77 1wmk s HIS 166 Cb -0.10 0.28 -0.02 0.00 -0.13 0.00 0.00 32.58 32.61 1wmk s HIS 166 CO 0.13 -0.35 1.57 -1.21 -2.47 0.00 0.00 174.74 172.42 1wmk s GLU 167 N 1.43 3.74 0.01 2.88 2.02 -1.26 -2.88 118.70 124.64 1wmk s GLU 167 Ca -0.09 1.51 -0.22 0.00 0.02 0.00 0.00 54.97 56.19 1wmk s GLU 167 Cb -0.08 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.06 1wmk s GLU 167 CO -0.13 -1.35 0.64 0.42 0.02 0.00 0.00 175.26 174.86 1wmk s ILE 168 N 5.29 4.85 0.44 -1.63 1.01 -0.80 -5.05 121.20 125.31 1wmk s ILE 168 Ca 0.69 1.35 -0.00 0.00 0.00 0.00 0.00 60.65 62.69 1wmk s ILE 168 Cb -0.22 -3.98 0.09 0.00 0.01 0.00 0.00 42.46 38.35 1wmk s ILE 168 CO 0.29 0.41 0.61 -0.62 0.00 0.00 0.00 174.94 175.63 1wmk n GLU 169 N 2.71 0.14 -0.08 2.79 -0.58 -1.26 -4.92 120.64 119.44 1wmk n GLU 169 Ca -0.06 -1.62 -0.09 0.00 -0.42 0.00 0.00 57.16 54.96 1wmk n GLU 169 Cb 0.51 -0.42 -0.04 0.00 -0.57 0.00 0.00 31.44 30.92 1wmk n GLU 169 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wmk n ASP 170 N -2.96 1.84 0.02 1.62 10.43 -1.26 -4.61 116.55 121.63 1wmk n ASP 170 Ca 0.10 0.54 -0.09 0.00 2.57 0.00 0.00 54.79 57.91 1wmk n ASP 170 Cb 0.36 -0.86 -0.13 0.00 1.84 0.00 0.00 41.12 42.32 1wmk n ASP 170 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 1wmk h GLY 171 N -1.00 0.02 -4.79 0.44 0.00 -2.05 -3.46 103.07 92.23 1wmk h GLY 171 Ca -0.09 -0.06 -0.55 0.00 0.00 0.00 0.00 47.33 46.63 1wmk h GLY 171 CO -0.06 0.05 0.75 0.14 0.00 0.00 0.00 176.54 177.43 1wmk s VAL 172 N -2.65 3.95 0.40 4.60 1.01 -1.26 -5.01 120.40 121.43 1wmk s VAL 172 Ca -0.02 1.32 -0.13 0.00 0.00 0.00 0.00 61.98 63.14 1wmk s VAL 172 Cb 0.09 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1wmk s VAL 172 CO 0.82 0.01 0.81 -0.70 0.00 0.00 0.00 175.10 176.04 1wmk s GLU 173 N 2.18 3.88 -0.28 2.72 2.12 -1.26 -4.45 118.70 123.61 1wmk s GLU 173 Ca 0.60 0.63 -0.02 0.00 0.36 0.00 0.00 54.97 56.54 1wmk s GLU 173 Cb -0.29 -2.35 0.12 0.00 0.26 0.00 0.00 34.13 31.87 1wmk s GLU 173 CO 0.25 -0.03 0.22 0.12 -0.54 0.00 0.00 175.26 175.28 1wmk s PHE 174 N -2.31 -0.13 0.01 5.30 5.36 -1.26 -5.05 117.98 119.90 1wmk s PHE 174 Ca 0.54 -0.43 0.01 0.00 -0.96 0.00 0.00 56.93 56.09 1wmk s PHE 174 Cb -0.10 -0.63 -0.04 0.00 -0.34 0.00 0.00 43.02 41.91 1wmk s PHE 174 CO 0.27 -0.86 0.05 0.15 -1.46 0.00 0.00 175.22 173.37 1wmk s LYS 175 N 2.25 2.92 -0.06 10.12 1.02 -1.26 -2.24 119.74 132.48 1wmk s LYS 175 Ca 0.09 -0.57 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 1wmk s LYS 175 Cb -0.15 -2.76 0.11 0.00 -0.52 0.00 0.00 37.83 34.52 1wmk s LYS 175 CO -0.33 0.62 1.05 1.21 -0.92 0.00 0.00 175.35 176.99 1wmk s ASN 176 N -1.78 -0.23 -0.17 2.83 2.47 -1.26 -5.06 114.94 111.73 1wmk s ASN 176 Ca 0.23 -0.05 -0.07 0.00 0.42 0.00 0.00 52.86 53.39 1wmk s ASN 176 Cb -0.12 0.28 -0.04 0.00 -1.45 0.00 0.00 41.25 39.92 1wmk s ASN 176 CO 0.14 -0.47 0.05 -0.51 -3.72 0.00 0.00 177.10 172.59 1wmk s ILE 177 N -2.80 4.73 0.00 -5.21 -1.16 -1.26 -4.85 121.20 110.64 1wmk s ILE 177 Ca 0.08 -0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.16 1wmk s ILE 177 Cb -0.01 -3.12 0.00 0.00 0.61 0.00 0.00 42.46 39.95 1wmk s ILE 177 CO -0.06 0.48 0.00 0.49 -2.81 0.00 0.00 174.94 173.04 1wmk n PHE 178 N 3.41 0.00 0.00 3.50 3.01 -1.26 -5.15 117.46 120.97 1wmk n PHE 178 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 1wmk n PHE 178 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1wmk n PHE 178 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wmk n GLY 179 N 4.69 1.00 3.73 1.37 0.00 -1.26 -4.96 105.19 109.76 1wmk n GLY 179 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wmk n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wmk s THR 180 N 0.00 5.10 0.28 2.61 2.01 -1.26 -4.98 115.64 119.39 1wmk s THR 180 Ca 0.00 1.17 -0.00 0.00 0.31 0.00 0.00 61.69 63.17 1wmk s THR 180 Cb 0.00 -3.91 0.39 0.00 0.01 0.00 0.00 72.50 68.99 1wmk s THR 180 CO 0.00 0.32 1.42 -2.65 -0.69 0.00 0.00 174.62 173.02 1wmk n PRO 181 N 3.55 -0.07 0.04 4.92 -0.02 -1.26 -2.50 135.00 139.65 1wmk n PRO 181 Ca -0.05 1.37 -0.12 0.00 -2.02 0.00 0.00 63.50 62.68 1wmk n PRO 181 Cb 0.51 -2.15 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 1wmk n PRO 181 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1wmk h GLU 182 N 0.00 -0.14 -2.01 -0.52 5.08 -1.96 -3.38 114.58 111.65 1wmk h GLU 182 Ca 0.53 0.01 -0.77 0.00 -1.00 0.00 0.00 59.36 58.13 1wmk h GLU 182 Cb 1.04 0.03 -0.27 0.00 0.50 0.00 0.00 28.75 30.04 1wmk h GLU 182 CO -0.87 0.33 1.01 1.19 -1.00 0.00 0.00 179.01 179.67 1wmk n PHE 183 N -4.91 2.98 -4.69 4.33 3.01 -1.04 -4.89 117.46 112.24 1wmk n PHE 183 Ca -0.08 -2.37 -0.25 0.00 1.01 0.00 0.00 57.45 55.76 1wmk n PHE 183 Cb 0.27 -1.16 -0.14 0.00 -0.01 0.00 0.00 39.48 38.44 1wmk n PHE 183 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1wmk s VAL 184 N -5.03 1.52 0.54 -4.37 -7.23 -1.24 -4.69 120.40 99.90 1wmk s VAL 184 Ca 0.51 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 1wmk s VAL 184 Cb 0.42 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.99 1wmk s VAL 184 CO -0.39 0.25 1.04 0.00 -0.31 0.00 0.00 175.10 175.69 1wmk s ALA 185 N -0.68 2.84 0.48 1.32 0.00 -1.26 -4.95 121.76 119.50 1wmk s ALA 185 Ca 0.07 0.42 0.21 0.00 0.00 0.00 0.00 51.96 52.66 1wmk s ALA 185 Cb -0.08 -3.22 1.31 0.00 0.00 0.00 0.00 23.12 21.13 1wmk s ALA 185 CO 0.01 -0.54 2.08 -1.35 0.00 0.00 0.00 175.76 175.96 1wmk h PRO 186 N 0.89 0.00 0.00 0.00 0.11 -1.92 -1.78 132.00 129.31 1wmk h PRO 186 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1wmk h PRO 186 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1wmk h PRO 186 CO 0.59 0.11 -0.15 1.05 -0.21 0.00 0.00 178.00 179.38 1wmk h GLU 187 N 0.00 0.00 0.11 1.05 4.11 -1.88 -2.62 114.58 115.34 1wmk h GLU 187 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.16 1wmk h GLU 187 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1wmk h GLU 187 CO 0.01 0.15 -1.19 0.82 0.07 0.00 0.00 179.01 178.88 1wmk h ILE 188 N 0.00 1.42 0.05 -1.06 1.08 -1.63 -3.20 117.51 114.17 1wmk h ILE 188 Ca -0.00 -2.77 -0.00 0.00 -0.39 0.00 0.00 64.86 61.70 1wmk h ILE 188 Cb 0.33 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.86 1wmk h ILE 188 CO 0.02 0.82 -0.02 0.58 -0.69 0.00 0.00 178.15 178.85 1wmk h VAL 189 N 0.15 1.20 -4.16 1.67 2.07 -1.23 -3.43 116.25 112.53 1wmk h VAL 189 Ca -0.14 -0.84 -0.47 0.00 0.82 0.00 0.00 66.70 66.07 1wmk h VAL 189 Cb 1.88 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1wmk h VAL 189 CO 0.21 0.21 0.37 0.20 0.02 0.00 0.00 177.57 178.58 1wmk s ASN 190 N -5.50 6.61 -1.45 0.57 -0.87 -1.02 -4.93 114.94 108.36 1wmk s ASN 190 Ca -0.15 1.63 -0.14 0.00 -1.57 0.00 0.00 52.86 52.63 1wmk s ASN 190 Cb 0.03 -2.52 0.04 0.00 -0.02 0.00 0.00 41.25 38.78 1wmk s ASN 190 CO 0.65 -0.60 2.19 0.00 -2.57 0.00 0.00 177.10 176.78 1wmk n TYR 191 N -1.40 3.62 -4.39 2.20 9.36 -1.26 -4.79 117.16 120.50 1wmk n TYR 191 Ca 0.07 -2.97 -0.24 0.00 3.32 0.00 0.00 57.90 58.08 1wmk n TYR 191 Cb 0.54 -2.57 -0.09 0.00 -0.63 0.00 0.00 39.34 36.59 1wmk n TYR 191 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1wmk s GLU 192 N 3.27 1.91 0.59 2.98 2.02 -1.21 -4.99 118.70 123.27 1wmk s GLU 192 Ca 0.47 -1.59 -0.20 0.00 0.02 0.00 0.00 54.97 53.67 1wmk s GLU 192 Cb 0.13 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.39 1wmk s GLU 192 CO -0.08 0.35 1.32 -1.25 0.02 0.00 0.00 175.26 175.63 1wmk s PRO 193 N -3.45 2.88 0.27 0.39 0.04 -1.26 -4.59 135.00 129.28 1wmk s PRO 193 Ca 0.29 2.14 0.10 0.00 0.04 0.00 0.00 61.00 63.57 1wmk s PRO 193 Cb -0.06 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 1wmk s PRO 193 CO 0.16 -1.37 -0.14 -0.51 0.04 0.00 0.00 177.00 175.18 1wmk s LEU 194 N -3.92 2.59 0.00 -3.56 1.43 -0.95 -4.90 118.68 109.37 1wmk s LEU 194 Ca 0.77 -1.09 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1wmk s LEU 194 Cb -0.39 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 44.93 1wmk s LEU 194 CO 0.43 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1wmk n GLY 195 N -0.59 3.14 0.19 -3.19 0.00 -1.26 -4.62 105.19 98.86 1wmk n GLY 195 Ca -0.06 -0.64 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1wmk n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wmk h LEU 196 N 0.00 0.00 -1.43 0.99 3.38 -1.98 -3.10 115.31 113.17 1wmk h LEU 196 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1wmk h LEU 196 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1wmk h LEU 196 CO 0.00 0.37 0.62 -0.33 0.09 0.00 0.00 178.44 179.20 1wmk h GLU 197 N 0.00 0.43 -0.62 1.13 3.07 -1.94 -1.50 114.58 115.15 1wmk h GLU 197 Ca -0.00 -0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.91 1wmk h GLU 197 Cb 0.79 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 28.54 1wmk h GLU 197 CO 0.05 0.28 0.28 0.00 -1.40 0.00 0.00 179.01 178.22 1wmk h ALA 198 N 1.61 0.82 -0.70 3.43 0.00 -1.96 -2.34 119.26 120.12 1wmk h ALA 198 Ca 0.51 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.56 1wmk h ALA 198 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1wmk h ALA 198 CO -0.22 -0.11 0.37 -0.44 0.00 0.00 0.00 179.25 178.84 1wmk h ASP 199 N 0.50 0.52 -0.67 0.00 3.45 -1.48 -2.72 116.42 116.02 1wmk h ASP 199 Ca 0.30 0.05 -0.02 0.00 0.43 0.00 0.00 57.03 57.79 1wmk h ASP 199 Cb 0.31 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.00 1wmk h ASP 199 CO -0.26 0.31 0.35 0.24 -1.57 0.00 0.00 179.24 178.31 1wmk h MET 200 N 0.65 0.97 -0.06 3.56 2.86 -1.51 -1.56 114.93 119.85 1wmk h MET 200 Ca 0.33 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 1wmk h MET 200 Cb 0.29 -0.19 -0.06 0.00 0.06 0.00 0.00 31.60 31.71 1wmk h MET 200 CO -0.23 0.73 -0.31 2.35 1.06 0.00 0.00 176.91 180.51 1wmk h TRP 201 N 0.97 -0.86 -0.55 -0.22 2.91 -1.44 -2.74 115.95 114.03 1wmk h TRP 201 Ca 0.24 0.03 0.11 0.00 1.13 0.00 0.00 58.89 60.40 1wmk h TRP 201 Cb 0.07 0.39 -0.11 0.00 -0.51 0.00 0.00 29.16 29.00 1wmk h TRP 201 CO 0.01 -0.40 -0.20 0.77 -1.03 0.00 0.00 178.44 177.59 1wmk h SER 202 N -0.43 -0.71 -0.61 2.65 0.02 -1.26 -1.00 113.55 112.21 1wmk h SER 202 Ca 0.08 0.18 0.13 0.00 -0.84 0.00 0.00 61.79 61.34 1wmk h SER 202 Cb 0.54 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.39 1wmk h SER 202 CO -0.30 -0.23 0.01 0.40 -1.14 0.00 0.00 176.83 175.57 1wmk h ILE 203 N -0.07 0.51 -0.86 3.27 1.08 -1.19 0.14 117.51 120.39 1wmk h ILE 203 Ca 0.26 -0.04 0.02 0.00 -0.39 0.00 0.00 64.86 64.70 1wmk h ILE 203 Cb 0.47 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 1wmk h ILE 203 CO -0.60 0.02 0.57 1.23 -0.69 0.00 0.00 178.15 178.68 1wmk h GLY 204 N 0.13 1.21 0.96 5.37 0.00 -0.92 0.62 103.07 110.43 1wmk h GLY 204 Ca 0.32 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1wmk h GLY 204 CO -0.51 0.41 -0.15 -2.08 0.00 0.00 0.00 176.54 174.20 1wmk h VAL 205 N 1.12 1.29 -0.41 4.60 2.07 -0.35 -1.11 116.25 123.46 1wmk h VAL 205 Ca 0.32 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1wmk h VAL 205 Cb -0.07 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1wmk h VAL 205 CO -0.08 0.41 0.25 0.40 0.02 0.00 0.00 177.57 178.57 1wmk h ILE 206 N 0.49 1.13 -0.20 4.57 1.08 -0.28 -1.97 117.51 122.32 1wmk h ILE 206 Ca 0.08 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1wmk h ILE 206 Cb 0.68 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1wmk h ILE 206 CO 0.05 0.12 0.10 0.74 -0.69 0.00 0.00 178.15 178.47 1wmk h THR 207 N 0.54 0.99 -0.56 -0.27 2.02 -0.82 0.19 112.91 115.00 1wmk h THR 207 Ca 0.15 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 67.33 1wmk h THR 207 Cb -0.02 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1wmk h THR 207 CO -0.03 0.04 0.22 0.22 0.37 0.00 0.00 175.52 176.34 1wmk h TYR 208 N 0.21 0.38 -0.14 3.16 5.03 -0.84 0.35 116.97 125.13 1wmk h TYR 208 Ca 0.08 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.23 1wmk h TYR 208 Cb 0.02 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.22 1wmk h TYR 208 CO -0.09 0.12 -0.69 0.82 -1.32 0.00 0.00 178.16 176.99 1wmk h ILE 209 N 0.40 1.33 -0.44 1.81 2.04 -1.13 -2.79 117.51 118.72 1wmk h ILE 209 Ca 0.28 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.12 1wmk h ILE 209 Cb 0.31 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1wmk h ILE 209 CO -0.27 0.61 0.12 0.25 0.00 0.00 0.00 178.15 178.86 1wmk h LEU 210 N 0.42 0.59 0.00 1.44 6.46 0.57 0.37 115.31 125.16 1wmk h LEU 210 Ca -0.03 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.56 1wmk h LEU 210 Cb 1.28 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 1wmk h LEU 210 CO 0.13 0.58 -0.68 -0.07 -0.62 0.00 0.00 178.44 177.78 1wmk h LEU 211 N 0.63 0.00 0.00 2.25 3.38 -0.95 -3.43 115.31 117.19 1wmk h LEU 211 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wmk h LEU 211 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wmk h LEU 211 CO -0.01 0.35 -0.14 -1.54 0.09 0.00 0.00 178.44 177.20 1wmk n SER 212 N -3.05 0.63 0.00 -0.43 3.41 -1.03 -2.56 113.62 110.59 1wmk n SER 212 Ca -0.01 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1wmk n SER 212 Cb 0.69 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1wmk n SER 212 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmk n GLY 213 N 2.90 1.76 3.78 5.00 0.00 0.13 -1.77 105.19 116.99 1wmk n GLY 213 Ca 0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 1wmk n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmk s ALA 214 N -0.45 3.48 0.26 4.61 0.00 -1.26 -4.78 121.76 123.62 1wmk s ALA 214 Ca 0.00 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 51.97 1wmk s ALA 214 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.15 1wmk s ALA 214 CO 0.00 0.31 0.90 0.45 0.00 0.00 0.00 175.76 177.42 1wmk s SER 215 N -1.10 7.44 0.39 0.00 0.15 -1.26 -4.21 113.70 115.11 1wmk s SER 215 Ca 0.34 1.82 0.27 0.00 0.70 0.00 0.00 55.95 59.08 1wmk s SER 215 Cb -0.22 -2.57 0.93 0.00 -1.71 0.00 0.00 66.02 62.45 1wmk s SER 215 CO 0.24 0.07 1.79 1.55 1.20 0.00 0.00 173.24 178.09 1wmk h PRO 216 N 3.74 0.00 0.00 5.44 0.13 -1.93 -3.36 132.00 136.01 1wmk h PRO 216 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1wmk h PRO 216 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wmk h PRO 216 CO 0.66 0.00 -0.31 1.19 -0.23 0.00 0.00 178.00 179.32 1wmk n PHE 217 N -2.73 0.00 -2.37 1.56 3.72 -1.26 -4.39 117.46 112.00 1wmk n PHE 217 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1wmk n PHE 217 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1wmk n PHE 217 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1wmk s LEU 218 N -1.66 4.35 0.00 4.37 0.20 -1.26 -4.32 118.68 120.36 1wmk s LEU 218 Ca 0.00 2.03 0.00 0.00 0.69 0.00 0.00 54.13 56.85 1wmk s LEU 218 Cb 0.00 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 42.19 1wmk s LEU 218 CO 0.00 -0.55 0.00 0.61 -0.29 0.00 0.00 176.35 176.12 1wmk n GLY 219 N 3.34 0.16 1.46 7.98 0.00 -1.26 -4.93 105.19 111.94 1wmk n GLY 219 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wmk n GLY 219 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmk n ASP 220 N 0.00 0.33 -4.95 1.61 8.00 -1.26 -5.03 116.55 115.26 1wmk n ASP 220 Ca 0.00 0.19 -0.24 0.00 0.71 0.00 0.00 54.79 55.45 1wmk n ASP 220 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1wmk n ASP 220 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1wmk s THR 221 N -2.00 5.21 0.26 -3.53 -4.23 -1.26 -5.01 115.64 105.09 1wmk s THR 221 Ca 0.00 -0.69 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 1wmk s THR 221 Cb 0.00 -3.82 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1wmk s THR 221 CO 0.00 -0.33 1.84 0.50 -0.54 0.00 0.00 174.62 176.08 1wmk h LYS 222 N 1.33 0.94 -0.44 3.99 3.64 -1.99 -2.12 116.57 121.92 1wmk h LYS 222 Ca -0.50 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 1wmk h LYS 222 Cb 1.22 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 32.75 1wmk h LYS 222 CO 0.63 0.62 0.02 0.37 -2.27 0.00 0.00 179.45 178.82 1wmk h GLN 223 N 0.96 0.12 -0.25 1.90 -0.00 -2.00 -1.81 115.11 114.05 1wmk h GLN 223 Ca 0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 59.06 1wmk h GLN 223 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.79 1wmk h GLN 223 CO -0.23 0.08 0.09 0.93 0.00 0.00 0.00 178.83 179.70 1wmk h GLU 224 N 0.13 0.38 -0.91 1.69 5.08 -1.83 -2.33 114.58 116.80 1wmk h GLU 224 Ca 0.22 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1wmk h GLU 224 Cb 0.32 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1wmk h GLU 224 CO -0.35 0.43 0.57 1.15 -1.00 0.00 0.00 179.01 179.80 1wmk h THR 225 N 0.25 1.04 -0.21 1.13 2.02 -1.10 0.55 112.91 116.59 1wmk h THR 225 Ca 0.08 -0.35 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 1wmk h THR 225 Cb 0.20 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1wmk h THR 225 CO -0.01 0.19 -0.59 -0.07 0.37 0.00 0.00 175.52 175.41 1wmk h LEU 226 N 1.02 0.78 -0.77 2.58 3.38 -1.25 -2.52 115.31 118.53 1wmk h LEU 226 Ca 0.40 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1wmk h LEU 226 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1wmk h LEU 226 CO -0.18 1.20 -0.45 0.00 0.09 0.00 0.00 178.44 179.10 1wmk h ALA 227 N 0.81 0.95 -0.68 1.53 0.00 -0.96 -2.74 119.26 118.18 1wmk h ALA 227 Ca 0.00 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1wmk h ALA 227 Cb 1.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1wmk h ALA 227 CO 0.12 0.64 0.13 -0.91 0.00 0.00 0.00 179.25 179.23 1wmk h ASN 228 N 0.31 1.06 -0.35 0.00 4.21 -0.78 0.43 115.58 120.46 1wmk h ASN 228 Ca 0.02 -0.25 -0.08 0.00 1.21 0.00 0.00 56.30 57.21 1wmk h ASN 228 Cb 0.91 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.82 1wmk h ASN 228 CO 0.08 1.04 -0.08 0.40 -1.29 0.00 0.00 177.43 177.57 1wmk h ILE 229 N 1.03 1.28 -0.11 2.81 2.04 -1.34 0.27 117.51 123.50 1wmk h ILE 229 Ca 0.21 -1.14 -0.16 0.00 1.00 0.00 0.00 64.86 64.77 1wmk h ILE 229 Cb 0.42 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1wmk h ILE 229 CO 0.01 0.37 -0.62 0.74 0.00 0.00 0.00 178.15 178.65 1wmk h THR 230 N 0.46 1.36 0.00 -0.27 2.02 -1.47 -2.85 112.91 112.17 1wmk h THR 230 Ca 0.09 -1.96 0.00 0.00 0.77 0.00 0.00 66.41 65.30 1wmk h THR 230 Cb 0.58 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1wmk h THR 230 CO 0.03 0.59 0.00 0.00 0.37 0.00 0.00 175.52 176.52 1wmk h ALA 231 N 1.06 1.00 -5.84 6.16 0.00 -0.81 -3.48 119.26 117.34 1wmk h ALA 231 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1wmk h ALA 231 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wmk h ALA 231 CO 0.10 0.00 -0.38 0.28 0.00 0.00 0.00 179.25 179.26 1wmk n VAL 232 N -2.62 -7.87 -4.05 0.00 0.31 0.91 -5.01 118.33 99.99 1wmk n VAL 232 Ca 0.04 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.89 1wmk n VAL 232 Cb 0.43 -5.58 -0.15 0.00 -0.91 0.00 0.00 33.84 27.63 1wmk n VAL 232 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1wmk s SER 233 N -2.99 4.20 -0.13 4.52 0.01 -0.84 -5.04 113.70 113.42 1wmk s SER 233 Ca 0.00 -1.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.05 1wmk s SER 233 Cb -0.00 -1.56 0.06 0.00 0.21 0.00 0.00 66.02 64.73 1wmk s SER 233 CO 0.80 -0.15 0.27 -0.72 0.41 0.00 0.00 173.24 173.85 1wmk s TYR 234 N 1.18 -0.42 -0.17 2.43 1.13 -1.26 -4.64 117.35 115.59 1wmk s TYR 234 Ca -0.05 0.96 -0.05 0.00 -1.41 0.00 0.00 57.07 56.53 1wmk s TYR 234 Cb -0.18 0.00 -0.03 0.00 -1.10 0.00 0.00 41.96 40.65 1wmk s TYR 234 CO -0.06 -0.33 -0.01 -0.51 -2.51 0.00 0.00 175.55 172.12 1wmk s ASP 235 N 2.15 4.93 -1.10 -0.18 1.11 -1.26 -5.04 116.67 117.29 1wmk s ASP 235 Ca -0.01 -0.12 -0.20 0.00 0.18 0.00 0.00 52.55 52.40 1wmk s ASP 235 Cb -0.12 -1.82 0.08 0.00 1.07 0.00 0.00 42.92 42.13 1wmk s ASP 235 CO -0.09 0.14 1.47 -0.36 1.18 0.00 0.00 175.17 177.51 1wmk s PHE 236 N 0.53 2.78 0.27 4.23 0.08 -1.26 -5.00 117.98 119.62 1wmk s PHE 236 Ca -0.02 -1.26 -0.29 0.00 0.12 0.00 0.00 56.93 55.48 1wmk s PHE 236 Cb -0.14 -4.61 -0.10 0.00 -0.57 0.00 0.00 43.02 37.61 1wmk s PHE 236 CO 0.02 -1.78 1.24 -0.51 -0.10 0.00 0.00 175.22 174.09 1wmk s ASP 237 N 4.36 6.97 0.21 1.36 -0.00 -1.26 -4.90 116.67 123.40 1wmk s ASP 237 Ca 0.46 2.46 0.20 0.00 -0.00 0.00 0.00 52.55 55.67 1wmk s ASP 237 Cb -0.00 -2.63 0.89 0.00 -0.00 0.00 0.00 42.92 41.18 1wmk s ASP 237 CO -0.04 -0.41 1.62 -0.62 -0.00 0.00 0.00 175.17 175.72 1wmk n GLU 238 N 1.51 0.14 0.16 8.23 -0.58 -1.26 -1.37 120.64 127.47 1wmk n GLU 238 Ca 0.02 0.43 0.01 0.00 -0.42 0.00 0.00 57.16 57.19 1wmk n GLU 238 Cb 0.43 -1.80 0.23 0.00 -0.57 0.00 0.00 31.44 29.73 1wmk n GLU 238 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1wmk h GLU 239 N 0.00 0.00 0.00 3.49 4.81 -2.01 -3.22 114.58 117.66 1wmk h GLU 239 Ca 0.00 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1wmk h GLU 239 Cb 0.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1wmk h GLU 239 CO 0.00 0.53 -1.51 1.19 -0.73 0.00 0.00 179.01 178.48 1wmk n PHE 240 N -3.70 0.00 -1.46 0.92 3.01 -0.96 -4.74 117.46 110.53 1wmk n PHE 240 Ca -0.01 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.43 1wmk n PHE 240 Cb 0.58 -0.35 0.20 0.00 -0.01 0.00 0.00 39.48 39.90 1wmk n PHE 240 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1wmk n PHE 241 N -2.18 0.90 -0.19 1.38 3.01 -0.47 -4.72 117.46 115.20 1wmk n PHE 241 Ca -0.10 -1.57 -0.02 0.00 1.01 0.00 0.00 57.45 56.77 1wmk n PHE 241 Cb 0.63 -0.45 0.19 0.00 -0.01 0.00 0.00 39.48 39.85 1wmk n PHE 241 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1wmk h SER 242 N 1.01 0.86 -1.17 4.37 4.64 -1.77 -3.17 113.55 118.33 1wmk h SER 242 Ca 0.18 -0.10 -0.53 0.00 -0.47 0.00 0.00 61.79 60.88 1wmk h SER 242 Cb 1.55 -0.22 -0.42 0.00 -0.31 0.00 0.00 62.40 63.00 1wmk h SER 242 CO 0.32 0.74 -0.84 0.00 -0.87 0.00 0.00 176.83 176.18 1wmk n GLN 243 N -4.33 3.07 -4.80 4.77 10.64 -1.26 -5.02 117.38 120.44 1wmk n GLN 243 Ca 0.06 -4.18 -0.31 0.00 -1.83 0.00 0.00 57.00 50.74 1wmk n GLN 243 Cb 0.14 -2.08 -0.14 0.00 -0.86 0.00 0.00 30.24 27.30 1wmk n GLN 243 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1wmk s THR 244 N -4.85 2.57 0.74 -0.39 2.01 -1.20 -3.46 115.64 111.07 1wmk s THR 244 Ca 0.45 -1.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.13 1wmk s THR 244 Cb 0.41 -2.04 0.04 0.00 0.01 0.00 0.00 72.50 70.92 1wmk s THR 244 CO -0.09 0.39 1.09 -0.94 -0.69 0.00 0.00 174.62 174.38 1wmk s SER 245 N -1.26 4.72 0.21 3.53 1.04 -1.26 -4.94 113.70 115.75 1wmk s SER 245 Ca 0.13 1.82 0.25 0.00 0.48 0.00 0.00 55.95 58.63 1wmk s SER 245 Cb -0.10 -2.52 0.90 0.00 0.10 0.00 0.00 66.02 64.40 1wmk s SER 245 CO 0.03 -1.89 1.74 -0.62 0.98 0.00 0.00 173.24 173.49 1wmk n GLU 246 N -3.30 0.21 0.01 4.02 -0.58 -1.26 -2.60 120.64 117.14 1wmk n GLU 246 Ca 0.09 0.30 -0.06 0.00 -0.42 0.00 0.00 57.16 57.07 1wmk n GLU 246 Cb 0.53 -1.81 -0.12 0.00 -0.57 0.00 0.00 31.44 29.47 1wmk n GLU 246 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wmk h LEU 247 N 0.00 0.00 -0.11 -4.62 3.38 -1.99 -3.07 115.31 108.90 1wmk h LEU 247 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wmk h LEU 247 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wmk h LEU 247 CO 0.00 0.89 -0.05 0.00 0.09 0.00 0.00 178.44 179.36 1wmk h ALA 248 N 1.11 0.16 -0.76 1.53 0.00 -1.92 -1.95 119.26 117.43 1wmk h ALA 248 Ca -0.21 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.49 1wmk h ALA 248 Cb 1.86 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 1wmk h ALA 248 CO 0.08 -0.07 0.50 0.87 0.00 0.00 0.00 179.25 180.63 1wmk h LYS 249 N -0.12 0.87 -0.18 0.00 1.57 -1.63 -2.31 116.57 114.77 1wmk h LYS 249 Ca 0.02 -0.05 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1wmk h LYS 249 Cb 0.51 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1wmk h LYS 249 CO 0.02 0.58 -0.58 0.22 -0.57 0.00 0.00 179.45 179.12 1wmk h ASP 250 N 0.90 0.63 0.08 0.86 1.82 -1.46 0.53 116.42 119.78 1wmk h ASP 250 Ca 0.31 -0.35 -0.00 0.00 -0.39 0.00 0.00 57.03 56.59 1wmk h ASP 250 Cb 0.09 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.91 1wmk h ASP 250 CO -0.09 1.07 -0.04 0.15 -1.61 0.00 0.00 179.24 178.72 1wmk h PHE 251 N 0.43 -0.09 -0.29 0.28 3.04 -0.82 -1.29 116.94 118.19 1wmk h PHE 251 Ca 0.00 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1wmk h PHE 251 Cb 1.13 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.66 1wmk h PHE 251 CO 0.05 0.01 0.15 0.82 -2.02 0.00 0.00 178.31 177.31 1wmk h ILE 252 N -0.17 1.14 -0.67 1.41 2.04 -1.45 -2.87 117.51 116.95 1wmk h ILE 252 Ca -0.01 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.54 1wmk h ILE 252 Cb 0.14 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1wmk h ILE 252 CO 0.02 0.14 0.44 -0.09 0.00 0.00 0.00 178.15 178.66 1wmk h ARG 253 N 0.34 0.56 -0.00 2.37 2.43 -0.61 -0.22 114.38 119.25 1wmk h ARG 253 Ca 0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1wmk h ARG 253 Cb 0.10 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1wmk h ARG 253 CO -0.01 0.37 -0.39 1.63 -1.51 0.00 0.00 179.97 180.05 1wmk n LYS 254 N -4.48 0.19 0.03 0.20 5.02 -0.51 -3.67 118.16 114.94 1wmk n LYS 254 Ca 0.11 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1wmk n LYS 254 Cb 0.31 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.68 1wmk n LYS 254 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wmk h LEU 255 N 0.26 0.28 -7.14 -0.35 3.38 -0.84 -3.19 115.31 107.71 1wmk h LEU 255 Ca 0.00 -0.46 -0.80 0.00 0.09 0.00 0.00 57.88 56.71 1wmk h LEU 255 Cb 0.49 -0.09 -0.27 0.00 0.09 0.00 0.00 40.66 40.89 1wmk h LEU 255 CO 0.00 1.39 0.80 0.18 0.09 0.00 0.00 178.44 180.90 1wmk n LEU 256 N -3.35 6.08 -4.56 1.67 4.77 -0.75 -4.30 117.00 116.56 1wmk n LEU 256 Ca -0.19 -5.08 -0.32 0.00 -0.03 0.00 0.00 56.01 50.40 1wmk n LEU 256 Cb 1.04 -1.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.64 1wmk n LEU 256 CO 0.47 1.51 -0.40 -0.69 -1.33 0.00 0.00 177.39 176.95 1wmk s VAL 257 N -1.84 3.49 0.12 4.08 1.01 -1.26 -4.95 120.40 121.04 1wmk s VAL 257 Ca 0.32 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1wmk s VAL 257 Cb -0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.82 1wmk s VAL 257 CO 0.03 0.43 1.76 0.50 0.00 0.00 0.00 175.10 177.81 1wmk h LYS 258 N 4.68 0.27 -7.40 2.72 3.64 -1.96 -3.45 116.57 115.07 1wmk h LYS 258 Ca -0.48 -0.02 -0.41 0.00 -1.27 0.00 0.00 60.65 58.47 1wmk h LYS 258 Cb 1.17 -0.06 0.20 0.00 -0.41 0.00 0.00 32.23 33.12 1wmk h LYS 258 CO 0.52 0.20 0.12 -1.21 -2.27 0.00 0.00 179.45 176.82 1wmk s GLU 259 N -6.09 -1.48 -0.11 1.90 2.02 -1.26 -4.84 118.70 108.84 1wmk s GLU 259 Ca -0.13 -0.15 0.05 0.00 0.02 0.00 0.00 54.97 54.76 1wmk s GLU 259 Cb 0.08 -1.57 -0.10 0.00 0.10 0.00 0.00 34.13 32.63 1wmk s GLU 259 CO 0.69 -3.87 -0.03 0.25 0.02 0.00 0.00 175.26 172.32 1wmk n THR 260 N -4.85 0.70 -0.01 3.63 -2.24 -1.26 -4.30 114.28 105.94 1wmk n THR 260 Ca 0.14 -0.35 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 1wmk n THR 260 Cb 0.60 -0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 1wmk n THR 260 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1wmk h ARG 261 N 0.00 0.11 0.00 -0.78 3.08 -1.99 -3.15 114.38 111.65 1wmk h ARG 261 Ca -0.27 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1wmk h ARG 261 Cb 1.53 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1wmk h ARG 261 CO -0.01 0.27 0.00 1.17 -1.07 0.00 0.00 179.97 180.33 1wmk n LYS 262 N -4.92 0.01 -2.64 0.04 4.81 -1.26 -4.78 118.16 109.42 1wmk n LYS 262 Ca -0.06 0.03 -0.40 0.00 -0.87 0.00 0.00 58.31 57.00 1wmk n LYS 262 Cb 0.13 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.63 1wmk n LYS 262 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1wmk s ARG 263 N -2.99 4.74 0.34 1.64 3.52 -1.19 -4.97 118.95 120.04 1wmk s ARG 263 Ca 0.14 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 57.04 1wmk s ARG 263 Cb 0.18 -3.27 -0.11 0.00 -1.56 0.00 0.00 34.95 30.18 1wmk s ARG 263 CO 0.50 0.33 1.53 -0.51 -0.81 0.00 0.00 175.30 176.33 1wmk s LEU 264 N -0.93 4.33 0.71 -0.88 1.02 -1.21 -4.98 118.68 116.75 1wmk s LEU 264 Ca 0.44 3.00 -0.09 0.00 0.02 0.00 0.00 54.13 57.50 1wmk s LEU 264 Cb -0.28 -3.65 0.04 0.00 0.02 0.00 0.00 46.19 42.32 1wmk s LEU 264 CO 0.34 -0.89 1.06 0.42 0.02 0.00 0.00 176.35 177.31 1wmk s THR 265 N -0.66 2.76 0.29 5.49 -4.23 -1.26 -4.87 115.64 113.17 1wmk s THR 265 Ca 0.57 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.14 1wmk s THR 265 Cb -0.47 -3.21 0.13 0.00 1.34 0.00 0.00 72.50 70.29 1wmk s THR 265 CO 0.57 -0.25 1.80 -0.29 -0.54 0.00 0.00 174.62 175.91 1wmk h ILE 266 N -0.67 1.23 -0.61 2.99 6.09 -1.97 -1.49 117.51 123.08 1wmk h ILE 266 Ca -0.45 -0.95 -0.02 0.00 -1.37 0.00 0.00 64.86 62.07 1wmk h ILE 266 Cb 1.29 0.95 -0.03 0.00 0.47 0.00 0.00 36.82 39.51 1wmk h ILE 266 CO 0.63 0.33 0.30 1.56 -3.07 0.00 0.00 178.15 177.89 1wmk h GLN 267 N 0.62 0.88 -0.10 2.19 7.50 -1.98 -1.99 115.11 122.23 1wmk h GLN 267 Ca 0.12 -0.13 -0.05 0.00 0.50 0.00 0.00 58.65 59.09 1wmk h GLN 267 Cb 0.43 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.79 1wmk h GLN 267 CO 0.02 0.71 -0.18 0.93 -1.50 0.00 0.00 178.83 178.81 1wmk h GLU 268 N 0.84 0.16 -0.26 1.46 5.08 -1.82 -1.58 114.58 118.47 1wmk h GLU 268 Ca 0.21 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 1wmk h GLU 268 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wmk h GLU 268 CO -0.03 0.35 -0.49 0.00 -1.00 0.00 0.00 179.01 177.84 1wmk h ALA 269 N 1.67 0.65 -0.07 3.43 0.00 -0.72 -2.49 119.26 121.73 1wmk h ALA 269 Ca 0.03 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1wmk h ALA 269 Cb 0.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wmk h ALA 269 CO 0.03 0.68 -0.72 -0.07 0.00 0.00 0.00 179.25 179.16 1wmk h LEU 270 N 0.55 0.40 -2.60 0.00 3.38 -1.18 -3.07 115.31 112.79 1wmk h LEU 270 Ca 0.03 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 1wmk h LEU 270 Cb 1.05 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.60 1wmk h LEU 270 CO 0.10 0.99 0.17 0.54 0.09 0.00 0.00 178.44 180.34 1wmk n ARG 271 N -3.82 2.09 -3.65 1.13 1.74 -0.61 -3.81 116.66 109.73 1wmk n ARG 271 Ca -0.04 -1.40 -0.38 0.00 -0.77 0.00 0.00 57.85 55.26 1wmk n ARG 271 Cb 0.70 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 1wmk n ARG 271 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1wmk s HIS 272 N -1.63 3.67 0.26 -1.55 2.46 -0.95 -4.94 115.29 112.60 1wmk s HIS 272 Ca 0.26 0.79 -0.10 0.00 0.47 0.00 0.00 55.06 56.48 1wmk s HIS 272 Cb 0.21 -2.16 0.38 0.00 -0.13 0.00 0.00 32.58 30.89 1wmk s HIS 272 CO 0.06 0.66 1.58 -1.35 -2.47 0.00 0.00 174.74 173.22 1wmk h PRO 273 N 4.92 -0.00 0.00 2.88 0.11 -1.90 0.82 132.00 138.84 1wmk h PRO 273 Ca -0.52 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1wmk h PRO 273 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wmk h PRO 273 CO 0.61 -0.00 -0.05 2.35 -0.21 0.00 0.00 178.00 180.69 1wmk h TRP 274 N -0.00 0.00 0.00 0.65 7.01 -1.94 -2.08 115.95 119.59 1wmk h TRP 274 Ca 0.42 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 61.28 1wmk h TRP 274 Cb 0.64 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.68 1wmk h TRP 274 CO -0.69 0.05 -0.92 0.82 -2.79 0.00 0.00 178.44 174.91 1wmk h ILE 275 N 0.00 0.66 -3.33 2.65 1.08 -1.63 -3.46 117.51 113.48 1wmk h ILE 275 Ca -0.00 -1.79 -0.60 0.00 -0.39 0.00 0.00 64.86 62.08 1wmk h ILE 275 Cb 0.11 1.54 -0.40 0.00 -3.07 0.00 0.00 36.82 35.00 1wmk h ILE 275 CO 0.01 0.22 -0.75 -0.89 -0.69 0.00 0.00 178.15 176.05 1wmk s THR 276 N -2.29 1.26 0.78 -0.27 2.01 0.21 -5.03 115.64 112.31 1wmk s THR 276 Ca -0.23 -1.58 -0.12 0.00 0.31 0.00 0.00 61.69 60.07 1wmk s THR 276 Cb 0.04 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.71 1wmk s THR 276 CO 0.46 -0.59 1.15 -2.84 -0.69 0.00 0.00 174.62 172.12 1wmk s PRO 277 N 1.43 2.20 -0.24 4.92 0.02 -0.79 -3.87 135.00 138.67 1wmk s PRO 277 Ca 0.08 0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.36 1wmk s PRO 277 Cb -0.18 -1.97 -0.15 0.00 0.02 0.00 0.00 34.50 32.23 1wmk s PRO 277 CO -0.19 -1.46 -0.22 0.28 -0.33 0.00 0.00 177.00 175.08 1wmk n VAL 278 N -3.25 1.37 -4.41 3.83 0.31 -1.26 -5.04 118.33 109.88 1wmk n VAL 278 Ca 0.08 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.69 1wmk n VAL 278 Cb 0.59 -1.40 -0.09 0.00 -0.91 0.00 0.00 33.84 32.03 1wmk n VAL 278 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1wmk s ASP 279 N -6.43 2.09 0.33 4.52 -4.77 -1.26 -5.06 116.67 106.09 1wmk s ASP 279 Ca -0.33 -1.59 0.12 0.00 -3.30 0.00 0.00 52.55 47.45 1wmk s ASP 279 Cb 0.09 0.39 0.55 0.00 -1.09 0.00 0.00 42.92 42.86 1wmk s ASP 279 CO 0.54 -0.88 1.72 0.78 0.70 0.00 0.00 175.17 178.03 1wmk h ASN 280 N 2.05 0.00 -0.67 2.11 2.35 -1.97 -2.58 115.58 116.87 1wmk h ASN 280 Ca -0.34 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.44 1wmk h ASN 280 Cb 1.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.59 1wmk h ASN 280 CO 0.55 0.49 0.44 -0.61 -1.65 0.00 0.00 177.43 176.64 1wmk h GLN 281 N 0.00 0.78 0.23 0.81 -0.00 -2.00 0.26 115.11 115.20 1wmk h GLN 281 Ca -0.00 -0.05 -0.33 0.00 -0.00 0.00 0.00 58.65 58.27 1wmk h GLN 281 Cb 0.87 -0.18 0.03 0.00 0.00 0.00 0.00 27.48 28.20 1wmk h GLN 281 CO 0.06 0.52 -1.49 1.96 0.00 0.00 0.00 178.83 179.88 1wmk h GLN 282 N 0.81 0.49 0.00 1.69 4.20 -1.98 -3.35 115.11 116.96 1wmk h GLN 282 Ca 0.26 -0.84 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1wmk h GLN 282 Cb 0.05 0.31 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1wmk h GLN 282 CO -0.07 1.40 0.00 0.00 -0.67 0.00 0.00 178.83 179.49 1wmk h ALA 283 N 0.13 1.00 0.05 3.87 0.00 -0.94 -2.56 119.26 120.81 1wmk h ALA 283 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1wmk h ALA 283 Cb 2.11 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.92 1wmk h ALA 283 CO 0.24 0.00 -0.73 1.98 0.00 0.00 0.00 179.25 180.74 1wmk h MET 284 N 0.00 0.40 -0.18 0.00 1.85 -0.65 -2.49 114.93 113.86 1wmk h MET 284 Ca 0.00 -0.50 -0.01 0.00 -0.61 0.00 0.00 59.70 58.58 1wmk h MET 284 Cb 0.45 0.16 -0.01 0.00 0.43 0.00 0.00 31.60 32.63 1wmk h MET 284 CO 0.00 1.18 0.08 0.28 -0.40 0.00 0.00 176.91 178.05 1wmk h VAL 285 N -0.15 1.14 -0.52 -5.77 2.07 -1.64 -1.29 116.25 110.09 1wmk h VAL 285 Ca -0.11 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1wmk h VAL 285 Cb 1.48 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1wmk h VAL 285 CO 0.14 0.13 0.35 -0.09 0.02 0.00 0.00 177.57 178.12 1wmk h ARG 286 N 0.16 0.43 -0.00 1.57 2.43 -1.54 -2.18 114.38 115.24 1wmk h ARG 286 Ca 0.06 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1wmk h ARG 286 Cb 0.13 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1wmk h ARG 286 CO -0.01 0.28 -0.63 -0.09 -1.51 0.00 0.00 179.97 178.02 1wmk h ARG 287 N 0.44 0.43 -0.21 0.20 2.43 -1.09 -2.76 114.38 113.82 1wmk h ARG 287 Ca 0.23 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1wmk h ARG 287 Cb 0.33 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1wmk h ARG 287 CO -0.06 1.12 0.00 0.39 -1.51 0.00 0.00 179.97 179.91 1wmk n GLU 288 N -4.20 1.48 -4.03 0.20 1.02 -0.52 -4.66 120.64 109.93 1wmk n GLU 288 Ca -0.10 -0.75 -0.21 0.00 -0.02 0.00 0.00 57.16 56.07 1wmk n GLU 288 Cb 0.68 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 1wmk n GLU 288 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wmk s SER 289 N -1.02 5.92 0.20 1.62 0.01 -0.87 -5.04 113.70 114.52 1wmk s SER 289 Ca 0.15 -0.09 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1wmk s SER 289 Cb 0.08 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1wmk s SER 289 CO 0.10 -0.06 0.03 0.68 0.41 0.00 0.00 173.24 174.40 1wmk s VAL 290 N -2.06 0.65 -0.14 3.43 -7.23 -1.22 -2.06 120.40 111.76 1wmk s VAL 290 Ca 0.34 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1wmk s VAL 290 Cb -0.08 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1wmk s VAL 290 CO 0.27 -0.33 0.22 -0.69 -0.31 0.00 0.00 175.10 174.26 1wmk s VAL 291 N -3.68 5.35 -1.04 1.32 1.01 -1.19 -4.57 120.40 117.60 1wmk s VAL 291 Ca 0.28 0.40 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 1wmk s VAL 291 Cb 0.06 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1wmk s VAL 291 CO 0.07 0.48 1.93 0.21 0.00 0.00 0.00 175.10 177.79 1wmk s ASN 292 N -0.12 5.14 0.42 3.32 3.04 -1.06 -4.76 114.94 120.92 1wmk s ASN 292 Ca 0.15 -1.17 0.22 0.00 0.04 0.00 0.00 52.86 52.09 1wmk s ASN 292 Cb -0.13 -2.57 0.88 0.00 -1.54 0.00 0.00 41.25 37.89 1wmk s ASN 292 CO 0.03 -2.85 1.82 -0.07 -3.04 0.00 0.00 177.10 172.99 1wmk h LEU 293 N 17.64 0.00 0.28 3.21 -0.00 -1.88 -2.27 115.31 132.29 1wmk h LEU 293 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1wmk h LEU 293 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.62 1wmk h LEU 293 CO 1.22 0.28 -0.24 -0.33 -0.00 0.00 0.00 178.44 179.37 1wmk h GLU 294 N 0.00 -0.52 -0.23 1.13 5.08 -1.91 -1.26 114.58 116.87 1wmk h GLU 294 Ca -0.00 0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.19 1wmk h GLU 294 Cb 0.75 0.12 0.01 0.00 0.50 0.00 0.00 28.75 30.12 1wmk h GLU 294 CO 0.04 -0.35 -0.64 -0.97 -1.00 0.00 0.00 179.01 176.09 1wmk h ASN 295 N -0.54 0.96 -0.27 1.42 -1.24 -1.76 -2.87 115.58 111.28 1wmk h ASN 295 Ca -0.01 -0.58 0.00 0.00 0.71 0.00 0.00 56.30 56.42 1wmk h ASN 295 Cb 0.49 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 1wmk h ASN 295 CO -0.03 1.37 0.18 0.15 -1.29 0.00 0.00 177.43 177.80 1wmk h PHE 296 N 0.60 0.33 0.04 0.67 3.57 -0.73 0.22 116.94 121.64 1wmk h PHE 296 Ca -0.02 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.29 1wmk h PHE 296 Cb 1.26 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 39.91 1wmk h PHE 296 CO 0.08 0.21 -0.81 -0.09 -2.23 0.00 0.00 178.31 175.47 1wmk h ARG 297 N 0.36 0.48 -0.26 1.11 2.43 -1.23 -2.57 114.38 114.69 1wmk h ARG 297 Ca 0.10 -0.57 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 1wmk h ARG 297 Cb -0.04 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1wmk h ARG 297 CO -0.02 1.21 -0.18 -0.22 -1.51 0.00 0.00 179.97 179.24 1wmk h LYS 298 N 0.01 0.47 0.14 0.20 3.64 -1.21 -1.76 116.57 118.06 1wmk h LYS 298 Ca -0.11 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 58.91 1wmk h LYS 298 Cb 1.52 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.32 1wmk h LYS 298 CO 0.16 0.64 -0.91 1.96 -2.27 0.00 0.00 179.45 179.02 1wmk h GLN 299 N 0.43 0.30 0.00 1.90 1.08 -1.06 -3.33 115.11 114.43 1wmk h GLN 299 Ca 0.07 -0.51 -0.07 0.00 -1.45 0.00 0.00 58.65 56.69 1wmk h GLN 299 Cb 0.57 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1wmk h GLN 299 CO 0.04 1.24 -0.34 -0.92 -0.95 0.00 0.00 178.83 177.90 1wmk h TYR 300 N -0.35 0.00 -0.98 2.96 3.20 -1.47 -2.92 116.97 117.41 1wmk h TYR 300 Ca -0.17 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.71 1wmk h TYR 300 Cb 1.67 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.90 1wmk h TYR 300 CO 0.19 0.34 0.64 0.28 -1.64 0.00 0.00 178.16 177.96 1wmk h VAL 301 N 0.00 1.26 0.00 1.81 2.07 -1.42 -2.62 116.25 117.35 1wmk h VAL 301 Ca -0.00 -0.49 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1wmk h VAL 301 Cb 0.67 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1wmk h VAL 301 CO 0.04 0.25 0.00 0.54 0.02 0.00 0.00 177.57 178.43 1wmk n ARG 302 N -4.37 0.46 -1.45 1.57 1.74 -1.10 -3.18 116.66 110.33 1wmk n ARG 302 Ca 0.11 0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 1wmk n ARG 302 Cb 0.02 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1wmk n ARG 302 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1wmk n ARG 303 N -1.13 2.63 0.00 5.56 1.74 -0.99 -5.15 116.66 119.33 1wmk n ARG 303 Ca 0.12 -3.20 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 1wmk n ARG 303 Cb 0.11 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 1wmk n ARG 303 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65