#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwk s MET 2 N 0.00 2.01 -0.08 0.54 -1.94 -0.31 -4.77 119.30 114.76 1xwk s MET 2 Ca 0.00 1.49 -0.01 0.00 -1.71 0.00 0.00 55.69 55.45 1xwk s MET 2 Cb 0.00 -1.85 0.03 0.00 2.01 0.00 0.00 34.83 35.02 1xwk s MET 2 CO 0.00 -1.88 0.00 -1.50 -0.01 0.00 0.00 175.02 171.64 1xwk s ILE 3 N -2.45 0.37 -0.38 2.53 2.07 -0.42 -0.17 121.20 122.75 1xwk s ILE 3 Ca 0.68 0.10 -0.13 0.00 -1.41 0.00 0.00 60.65 59.88 1xwk s ILE 3 Cb -0.23 -0.55 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1xwk s ILE 3 CO 0.50 0.24 0.25 -0.22 -1.91 0.00 0.00 174.94 173.80 1xwk s LEU 4 N 1.97 4.79 -0.06 8.50 2.96 -0.91 -0.88 118.68 135.05 1xwk s LEU 4 Ca 0.05 -0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 1xwk s LEU 4 Cb -0.12 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1xwk s LEU 4 CO -0.05 -0.37 0.35 -0.83 -1.32 0.00 0.00 176.35 174.13 1xwk s GLY 5 N 1.65 2.37 0.15 7.98 0.00 -0.20 -1.41 107.32 117.85 1xwk s GLY 5 Ca 0.04 -0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.21 1xwk s GLY 5 CO 0.09 0.21 1.08 2.98 0.00 0.00 0.00 173.10 177.46 1xwk n TYR 6 N 2.43 -1.18 -1.62 1.90 9.36 -0.97 -1.90 117.16 125.18 1xwk n TYR 6 Ca -0.14 -1.18 -0.30 0.00 3.32 0.00 0.00 57.90 59.61 1xwk n TYR 6 Cb 0.53 0.57 0.09 0.00 -0.63 0.00 0.00 39.34 39.89 1xwk n TYR 6 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1xwk s TRP 7 N -2.07 2.89 -0.50 2.98 0.52 -1.26 -0.38 118.94 121.11 1xwk s TRP 7 Ca 0.24 1.08 -0.07 0.00 0.02 0.00 0.00 56.10 57.37 1xwk s TRP 7 Cb -0.02 -3.16 -0.21 0.00 -1.15 0.00 0.00 33.47 28.92 1xwk s TRP 7 CO 0.04 -1.74 3.41 -3.47 0.02 0.00 0.00 176.95 175.22 1xwk n ASP 8 N -3.39 6.29 -3.26 2.95 4.64 -0.22 -4.50 116.55 119.06 1xwk n ASP 8 Ca 0.07 -2.50 -0.18 0.00 -1.38 0.00 0.00 54.79 50.80 1xwk n ASP 8 Cb 0.57 -1.45 -0.07 0.00 -1.04 0.00 0.00 41.12 39.13 1xwk n ASP 8 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 1xwk s ILE 9 N 1.38 0.00 0.00 5.18 -4.36 -1.26 -4.73 121.20 117.40 1xwk s ILE 9 Ca 0.67 -1.86 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 1xwk s ILE 9 Cb 0.27 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1xwk s ILE 9 CO -0.02 0.00 0.07 -1.14 0.24 0.00 0.00 174.94 174.10 1xwk n ARG 10 N -0.62 0.00 0.00 0.37 0.63 -0.53 -4.87 116.66 111.64 1xwk n ARG 10 Ca 0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.99 1xwk n ARG 10 Cb 0.62 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1xwk n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xwk n GLY 11 N 2.04 3.20 0.20 5.14 0.00 -0.60 -2.63 105.19 112.55 1xwk n GLY 11 Ca 0.00 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.06 1xwk n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xwk h LEU 12 N 0.00 0.00 -0.34 0.99 3.38 -1.92 -3.26 115.31 114.17 1xwk h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xwk h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xwk h LEU 12 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1xwk h ALA 13 N 1.83 1.00 0.07 1.53 0.00 -1.84 -3.38 119.26 118.48 1xwk h ALA 13 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xwk h ALA 13 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1xwk h ALA 13 CO 0.02 0.00 -0.23 1.25 0.00 0.00 0.00 179.25 180.29 1xwk h HIS 14 N 0.00 -0.67 -0.82 0.00 6.17 -1.59 0.84 115.15 119.08 1xwk h HIS 14 Ca 0.00 0.02 0.17 0.00 0.71 0.00 0.00 60.37 61.27 1xwk h HIS 14 Cb 0.62 0.28 -0.06 0.00 2.52 0.00 0.00 27.41 30.78 1xwk h HIS 14 CO 0.00 -0.26 0.55 0.00 0.71 0.00 0.00 177.93 178.92 1xwk h ALA 15 N -1.14 2.14 0.00 5.26 0.00 -1.84 -0.77 119.26 122.92 1xwk h ALA 15 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xwk h ALA 15 Cb 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xwk h ALA 15 CO -0.12 -0.38 -0.00 0.82 0.00 0.00 0.00 179.25 179.57 1xwk h ILE 16 N 0.42 1.22 -0.51 0.00 2.04 -1.58 -1.04 117.51 118.07 1xwk h ILE 16 Ca 0.42 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.66 1xwk h ILE 16 Cb 0.98 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 1xwk h ILE 16 CO -0.15 0.17 0.20 0.03 0.00 0.00 0.00 178.15 178.41 1xwk h ARG 17 N -0.29 0.38 -0.41 2.37 3.08 0.18 0.28 114.38 119.97 1xwk h ARG 17 Ca -0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xwk h ARG 17 Cb 0.29 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1xwk h ARG 17 CO 0.00 0.25 0.26 -0.07 -1.07 0.00 0.00 179.97 179.34 1xwk h LEU 18 N 0.40 0.43 0.31 3.04 3.38 -1.09 -1.67 115.31 120.10 1xwk h LEU 18 Ca 0.24 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1xwk h LEU 18 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xwk h LEU 18 CO -0.22 0.31 -0.15 0.25 0.09 0.00 0.00 178.44 178.72 1xwk h LEU 19 N 0.52 -0.35 -0.90 1.67 5.85 -0.66 -0.26 115.31 121.18 1xwk h LEU 19 Ca 0.16 -0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.07 1xwk h LEU 19 Cb -0.03 0.09 -0.12 0.00 0.37 0.00 0.00 40.66 40.97 1xwk h LEU 19 CO -0.05 -0.22 0.43 -0.07 -0.34 0.00 0.00 178.44 178.18 1xwk h LEU 20 N -0.45 0.41 -0.01 2.25 3.38 -0.82 -0.45 115.31 119.62 1xwk h LEU 20 Ca -0.04 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xwk h LEU 20 Cb 0.34 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1xwk h LEU 20 CO 0.07 0.05 -0.00 -0.33 0.09 0.00 0.00 178.44 178.32 1xwk h GLU 21 N 0.47 0.03 0.00 1.13 4.39 -1.01 0.12 114.58 119.71 1xwk h GLU 21 Ca 0.55 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.24 1xwk h GLU 21 Cb 1.01 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1xwk h GLU 21 CO -0.49 0.41 -0.01 -0.92 -1.16 0.00 0.00 179.01 176.83 1xwk h TYR 22 N -0.35 0.00 -0.15 4.33 3.20 0.03 -1.11 116.97 122.92 1xwk h TYR 22 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1xwk h TYR 22 Cb 0.40 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1xwk h TYR 22 CO 0.06 0.01 0.00 0.25 -1.64 0.00 0.00 178.16 176.84 1xwk n THR 23 N -3.58 0.17 -2.27 1.81 -2.24 -0.28 -4.94 114.28 102.94 1xwk n THR 23 Ca -0.03 -0.53 -0.19 0.00 -2.27 0.00 0.00 64.05 61.03 1xwk n THR 23 Cb 0.10 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.43 1xwk n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xwk n ASP 24 N 1.16 -5.56 -4.77 3.42 8.00 -0.42 -4.94 116.55 113.43 1xwk n ASP 24 Ca 0.16 0.04 -0.40 0.00 0.71 0.00 0.00 54.79 55.30 1xwk n ASP 24 Cb 0.55 -4.62 -0.02 0.00 -0.02 0.00 0.00 41.12 37.01 1xwk n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xwk s SER 25 N -2.20 6.66 -0.41 -2.24 0.01 -0.00 -4.96 113.70 110.55 1xwk s SER 25 Ca 0.00 2.71 -0.26 0.00 1.31 0.00 0.00 55.95 59.71 1xwk s SER 25 Cb 0.00 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.60 1xwk s SER 25 CO 0.00 -0.62 0.95 -0.55 0.41 0.00 0.00 173.24 173.43 1xwk s SER 26 N -0.51 6.61 0.20 2.44 0.15 -1.26 -4.84 113.70 116.49 1xwk s SER 26 Ca 0.51 0.40 -0.17 0.00 0.70 0.00 0.00 55.95 57.39 1xwk s SER 26 Cb -0.40 -2.47 0.02 0.00 -1.71 0.00 0.00 66.02 61.46 1xwk s SER 26 CO 0.53 -0.97 0.51 -0.72 1.20 0.00 0.00 173.24 173.78 1xwk s TYR 27 N 3.69 -0.05 0.51 3.44 1.13 -1.26 -1.16 117.35 123.65 1xwk s TYR 27 Ca 0.39 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.76 1xwk s TYR 27 Cb -0.11 0.35 -0.00 0.00 -1.10 0.00 0.00 41.96 41.10 1xwk s TYR 27 CO 0.23 -0.91 0.03 0.39 -2.51 0.00 0.00 175.55 172.78 1xwk n GLU 28 N -0.33 0.69 -3.92 -3.49 1.02 0.76 -4.91 120.64 110.46 1xwk n GLU 28 Ca -0.09 -3.80 -0.17 0.00 -0.02 0.00 0.00 57.16 53.08 1xwk n GLU 28 Cb 0.62 1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 33.09 1xwk n GLU 28 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xwk s GLU 29 N -3.85 0.28 -0.75 3.49 2.02 -1.26 -2.13 118.70 116.50 1xwk s GLU 29 Ca 0.04 0.08 -0.08 0.00 0.02 0.00 0.00 54.97 55.03 1xwk s GLU 29 Cb 0.00 -0.46 0.19 0.00 0.10 0.00 0.00 34.13 33.97 1xwk s GLU 29 CO 0.03 -0.13 0.62 0.21 0.02 0.00 0.00 175.26 176.01 1xwk s LYS 30 N 0.98 3.11 -0.03 1.61 2.47 -0.50 -4.93 119.74 122.45 1xwk s LYS 30 Ca -0.10 -2.58 -0.29 0.00 -1.56 0.00 0.00 55.97 51.44 1xwk s LYS 30 Cb -0.13 -4.07 -0.03 0.00 -1.46 0.00 0.00 37.83 32.14 1xwk s LYS 30 CO -0.02 -1.23 0.95 0.15 0.16 0.00 0.00 175.35 175.36 1xwk s LYS 31 N -0.10 4.51 -0.12 4.03 1.02 -1.26 -2.28 119.74 125.54 1xwk s LYS 31 Ca 0.19 1.34 -0.06 0.00 0.02 0.00 0.00 55.97 57.46 1xwk s LYS 31 Cb -0.15 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1xwk s LYS 31 CO -0.06 -0.09 0.09 0.71 -0.92 0.00 0.00 175.35 175.07 1xwk s TYR 32 N 1.20 3.43 -0.17 3.18 1.51 0.49 -4.83 117.35 122.16 1xwk s TYR 32 Ca 0.49 0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 56.86 1xwk s TYR 32 Cb -0.20 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 1xwk s TYR 32 CO 0.25 0.57 0.06 0.99 -1.11 0.00 0.00 175.55 176.31 1xwk s THR 33 N -0.76 4.81 -0.13 -0.71 2.01 -1.26 -1.06 115.64 118.54 1xwk s THR 33 Ca 0.13 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 1xwk s THR 33 Cb -0.12 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 1xwk s THR 33 CO 0.03 0.49 0.22 -0.32 -0.69 0.00 0.00 174.62 174.34 1xwk s MET 34 N 0.14 3.90 0.83 4.92 1.75 -1.26 -4.64 119.30 124.94 1xwk s MET 34 Ca 0.05 -0.00 -0.11 0.00 -1.25 0.00 0.00 55.69 54.38 1xwk s MET 34 Cb -0.12 -3.31 0.09 0.00 2.84 0.00 0.00 34.83 34.33 1xwk s MET 34 CO 0.01 0.51 1.10 0.20 -0.65 0.00 0.00 175.02 176.19 1xwk s GLY 35 N -0.33 1.66 0.98 2.11 0.00 -0.15 -4.89 107.32 106.70 1xwk s GLY 35 Ca 0.15 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.97 1xwk s GLY 35 CO 0.04 0.62 1.11 0.99 0.00 0.00 0.00 173.10 175.86 1xwk s ASP 36 N -3.29 2.81 0.87 1.64 1.11 -1.26 -3.94 116.67 114.60 1xwk s ASP 36 Ca 0.63 1.07 -0.11 0.00 0.18 0.00 0.00 52.55 54.31 1xwk s ASP 36 Cb -0.18 -1.69 0.12 0.00 1.07 0.00 0.00 42.92 42.24 1xwk s ASP 36 CO 0.57 -3.00 1.17 0.00 1.18 0.00 0.00 175.17 175.08 1xwk s ALA 37 N -3.08 1.65 -0.93 5.23 0.00 -1.26 -2.13 121.76 121.24 1xwk s ALA 37 Ca 0.65 0.69 0.24 0.00 0.00 0.00 0.00 51.96 53.54 1xwk s ALA 37 Cb -0.17 -3.46 0.37 0.00 0.00 0.00 0.00 23.12 19.86 1xwk s ALA 37 CO 0.56 -2.54 1.32 -0.35 0.00 0.00 0.00 175.76 174.74 1xwk n PRO 38 N -3.83 0.05 0.02 0.00 -0.04 -1.26 -4.80 135.00 125.15 1xwk n PRO 38 Ca 0.12 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 1xwk n PRO 38 Cb 0.51 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 1xwk n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xwk h ASP 39 N 0.00 0.85 -5.88 3.54 3.32 -1.92 -3.48 116.42 112.85 1xwk h ASP 39 Ca 0.00 -0.62 -0.38 0.00 0.02 0.00 0.00 57.03 56.04 1xwk h ASP 39 Cb 0.54 -0.26 0.11 0.00 0.22 0.00 0.00 39.33 39.95 1xwk h ASP 39 CO 0.00 1.42 -0.77 -1.22 -1.72 0.00 0.00 179.24 176.95 1xwk n TYR 40 N -3.87 -2.25 -1.55 4.55 4.01 -0.90 -4.79 117.16 112.35 1xwk n TYR 40 Ca -0.09 0.92 -0.61 0.00 -0.16 0.00 0.00 57.90 57.97 1xwk n TYR 40 Cb 0.81 -4.77 -0.10 0.00 -0.31 0.00 0.00 39.34 34.97 1xwk n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xwk n ASP 41 N -3.06 1.45 -0.36 7.72 2.03 -1.26 -4.41 116.55 118.67 1xwk n ASP 41 Ca -0.20 0.91 0.11 0.00 0.52 0.00 0.00 54.79 56.12 1xwk n ASP 41 Cb 0.64 -0.99 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 1xwk n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xwk n ARG 42 N 5.91 0.96 -0.52 -0.67 1.74 -1.26 -0.98 116.66 121.83 1xwk n ARG 42 Ca 0.39 -0.73 0.41 0.00 -0.77 0.00 0.00 57.85 57.15 1xwk n ARG 42 Cb 0.02 -1.47 0.66 0.00 -1.02 0.00 0.00 32.46 30.66 1xwk n ARG 42 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1xwk n SER 43 N -0.41 0.10 -0.19 0.55 3.41 -1.26 -0.65 113.62 115.16 1xwk n SER 43 Ca 0.08 1.06 0.07 0.00 -0.26 0.00 0.00 58.87 59.82 1xwk n SER 43 Cb 0.42 -0.52 0.36 0.00 -0.26 0.00 0.00 64.21 64.21 1xwk n SER 43 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1xwk h GLN 44 N 0.00 0.72 0.11 4.33 4.15 -1.84 -1.06 115.11 121.52 1xwk h GLN 44 Ca 0.81 -0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.84 1xwk h GLN 44 Cb 2.92 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 30.43 1xwk h GLN 44 CO -0.22 0.48 -1.86 2.35 -1.93 0.00 0.00 178.83 177.65 1xwk h TRP 45 N 0.74 0.43 -0.54 3.99 -0.00 -1.21 -3.39 115.95 115.97 1xwk h TRP 45 Ca 0.33 -0.31 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1xwk h TRP 45 Cb 0.31 -0.02 -0.03 0.00 -0.00 0.00 0.00 29.16 29.43 1xwk h TRP 45 CO -0.00 1.73 0.33 -0.07 -0.00 0.00 0.00 178.44 180.43 1xwk h LEU 46 N -0.10 0.64 -0.20 0.65 3.38 -1.30 0.51 115.31 118.89 1xwk h LEU 46 Ca -0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1xwk h LEU 46 Cb 1.92 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1xwk h LEU 46 CO 0.05 0.49 0.00 0.59 0.09 0.00 0.00 178.44 179.66 1xwk n ASN 47 N -4.43 0.21 -0.02 -0.43 3.02 -0.42 -3.24 115.26 109.96 1xwk n ASN 47 Ca 0.05 0.55 -0.01 0.00 -0.03 0.00 0.00 54.58 55.14 1xwk n ASN 47 Cb 0.07 -0.60 -0.04 0.00 -0.61 0.00 0.00 39.78 38.61 1xwk n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xwk n GLU 48 N -1.73 2.45 -0.25 3.52 1.02 -0.62 -4.79 120.64 120.24 1xwk n GLU 48 Ca 0.03 -0.01 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 1xwk n GLU 48 Cb 0.20 -1.11 0.08 0.00 -0.02 0.00 0.00 31.44 30.58 1xwk n GLU 48 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xwk n LYS 49 N -2.03 -0.09 -0.34 3.49 4.81 0.17 -0.10 118.16 124.07 1xwk n LYS 49 Ca -0.05 1.07 0.11 0.00 -0.87 0.00 0.00 58.31 58.57 1xwk n LYS 49 Cb 0.50 -1.60 0.30 0.00 0.02 0.00 0.00 35.03 34.26 1xwk n LYS 49 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1xwk n PHE 50 N -5.09 0.88 0.65 5.64 3.01 -1.26 -4.21 117.46 117.08 1xwk n PHE 50 Ca 0.10 -0.44 0.10 0.00 1.01 0.00 0.00 57.45 58.22 1xwk n PHE 50 Cb 0.32 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.67 1xwk n PHE 50 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xwk n LYS 51 N 1.56 0.23 0.00 -1.08 4.76 0.85 -4.41 118.16 120.07 1xwk n LYS 51 Ca 0.23 -0.06 0.15 0.00 -2.87 0.00 0.00 58.31 55.75 1xwk n LYS 51 Cb 0.60 -1.51 0.71 0.00 -1.84 0.00 0.00 35.03 32.98 1xwk n LYS 51 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xwk n LEU 52 N -1.77 0.06 -0.12 -0.35 4.77 -1.14 -4.91 117.00 113.53 1xwk n LEU 52 Ca 0.01 0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 1xwk n LEU 52 Cb 0.41 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1xwk n LEU 52 CO 0.44 0.01 -0.02 0.61 -1.33 0.00 0.00 177.39 177.10 1xwk n GLY 53 N 1.33 0.53 3.78 -0.72 0.00 -1.26 -5.02 105.19 103.83 1xwk n GLY 53 Ca 0.13 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1xwk n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwk s LEU 54 N -0.37 3.86 -0.09 0.99 1.43 -1.26 -4.92 118.68 118.31 1xwk s LEU 54 Ca 0.00 2.12 -0.26 0.00 -1.03 0.00 0.00 54.13 54.97 1xwk s LEU 54 Cb 0.00 -4.48 -0.22 0.00 0.03 0.00 0.00 46.19 41.52 1xwk s LEU 54 CO 0.00 -0.98 0.88 0.44 0.23 0.00 0.00 176.35 176.92 1xwk h ASP 55 N 1.57 -0.02 -2.43 2.29 3.32 -1.95 -3.39 116.42 115.81 1xwk h ASP 55 Ca -0.50 -0.72 -0.60 0.00 0.02 0.00 0.00 57.03 55.23 1xwk h ASP 55 Cb 1.24 0.01 -0.42 0.00 0.22 0.00 0.00 39.33 40.38 1xwk h ASP 55 CO 0.59 0.75 -0.65 0.49 -1.72 0.00 0.00 179.24 178.70 1xwk n PHE 56 N -4.73 3.01 -0.96 4.55 3.72 -1.26 -5.08 117.46 116.72 1xwk n PHE 56 Ca -0.09 -4.12 -0.37 0.00 -0.05 0.00 0.00 57.45 52.82 1xwk n PHE 56 Cb 0.36 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 38.32 1xwk n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xwk n PRO 57 N 1.28 0.00 -3.57 -1.08 -0.02 -1.26 -4.90 135.00 125.46 1xwk n PRO 57 Ca 0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.72 1xwk n PRO 57 Cb 0.41 -0.82 0.02 0.00 -0.02 0.00 0.00 33.50 33.08 1xwk n PRO 57 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xwk n ASN 58 N 2.23 -1.52 -3.90 2.55 2.85 -1.26 -5.11 115.26 111.11 1xwk n ASN 58 Ca 0.17 -1.79 -0.17 0.00 -0.11 0.00 0.00 54.58 52.69 1xwk n ASN 58 Cb -0.03 2.46 -0.15 0.00 1.24 0.00 0.00 39.78 43.30 1xwk n ASN 58 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1xwk s LEU 59 N 0.00 1.63 0.66 1.20 1.43 -1.26 -4.06 118.68 118.28 1xwk s LEU 59 Ca 0.20 -0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1xwk s LEU 59 Cb -0.02 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.91 1xwk s LEU 59 CO 0.05 -0.01 1.05 -2.16 0.23 0.00 0.00 176.35 175.50 1xwk s PRO 60 N 0.42 3.23 0.02 1.29 0.04 -1.26 -4.92 135.00 133.82 1xwk s PRO 60 Ca -0.04 0.88 0.03 0.00 0.04 0.00 0.00 61.00 61.90 1xwk s PRO 60 Cb -0.08 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1xwk s PRO 60 CO -0.01 -0.86 -0.09 1.52 0.04 0.00 0.00 177.00 177.60 1xwk s TYR 61 N -3.07 0.75 -0.06 0.56 -0.85 -0.80 -3.69 117.35 110.19 1xwk s TYR 61 Ca 0.57 -0.30 0.05 0.00 -0.52 0.00 0.00 57.07 56.87 1xwk s TYR 61 Cb -0.13 -0.46 -0.00 0.00 0.38 0.00 0.00 41.96 41.75 1xwk s TYR 61 CO 0.54 -0.02 -0.21 -1.17 -1.52 0.00 0.00 175.55 173.16 1xwk s LEU 62 N -0.87 1.98 -0.25 -3.49 2.96 0.77 -1.04 118.68 118.75 1xwk s LEU 62 Ca -0.02 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1xwk s LEU 62 Cb -0.06 -1.17 0.06 0.00 0.50 0.00 0.00 46.19 45.52 1xwk s LEU 62 CO 0.00 0.18 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 1xwk s ILE 63 N 0.02 2.04 -0.60 6.68 1.01 -0.06 -0.69 121.20 129.60 1xwk s ILE 63 Ca -0.06 -1.50 0.02 0.00 0.00 0.00 0.00 60.65 59.11 1xwk s ILE 63 Cb -0.13 -2.15 0.15 0.00 0.01 0.00 0.00 42.46 40.34 1xwk s ILE 63 CO 0.04 0.01 0.37 -0.62 0.00 0.00 0.00 174.94 174.74 1xwk s ASP 64 N 1.17 4.73 1.82 3.58 -1.08 -0.13 -1.31 116.67 125.45 1xwk s ASP 64 Ca -0.07 -3.15 0.00 0.00 -0.52 0.00 0.00 52.55 48.81 1xwk s ASP 64 Cb -0.19 -1.71 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1xwk s ASP 64 CO -0.06 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.00 1xwk n GLY 65 N 2.98 2.08 0.07 2.66 0.00 -1.26 -1.46 105.19 110.25 1xwk n GLY 65 Ca 0.09 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.46 1xwk n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwk n ALA 66 N 10.22 2.56 -2.60 4.61 0.00 -1.26 -4.80 120.51 129.24 1xwk n ALA 66 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1xwk n ALA 66 Cb 0.00 -1.36 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1xwk n ALA 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xwk s HIS 67 N -3.10 3.19 -0.21 0.00 3.76 -0.54 -5.04 115.29 113.35 1xwk s HIS 67 Ca 0.10 0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 55.55 1xwk s HIS 67 Cb 0.14 -3.10 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1xwk s HIS 67 CO 0.63 -0.54 -0.02 0.15 -0.85 0.00 0.00 174.74 174.12 1xwk s LYS 68 N 2.74 3.54 0.04 1.40 3.01 -1.26 -0.96 119.74 128.25 1xwk s LYS 68 Ca 0.27 -0.56 0.05 0.00 -1.01 0.00 0.00 55.97 54.72 1xwk s LYS 68 Cb -0.15 -3.05 -0.02 0.00 -1.01 0.00 0.00 37.83 33.60 1xwk s LYS 68 CO 0.13 -0.05 -0.14 0.42 0.51 0.00 0.00 175.35 176.21 1xwk s ILE 69 N 1.15 1.12 0.38 2.17 1.01 0.13 -4.78 121.20 122.38 1xwk s ILE 69 Ca 0.02 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1xwk s ILE 69 Cb -0.14 -1.02 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 1xwk s ILE 69 CO 0.01 -0.00 0.12 0.42 0.00 0.00 0.00 174.94 175.49 1xwk s THR 70 N -0.87 0.66 -0.03 2.92 -4.23 -1.26 -0.16 115.64 112.67 1xwk s THR 70 Ca 0.01 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.50 1xwk s THR 70 Cb -0.08 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.33 1xwk s THR 70 CO 0.01 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.14 1xwk n GLN 71 N -0.84 -1.84 -0.37 3.99 1.13 -1.24 -4.20 117.38 114.01 1xwk n GLN 71 Ca -0.05 1.67 -0.01 0.00 -1.94 0.00 0.00 57.00 56.68 1xwk n GLN 71 Cb 0.65 -2.29 0.05 0.00 0.11 0.00 0.00 30.24 28.76 1xwk n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1xwk h SER 72 N 1.56 -1.37 0.19 1.08 4.64 -1.92 0.41 113.55 118.14 1xwk h SER 72 Ca -0.10 0.31 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 1xwk h SER 72 Cb 0.24 0.74 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1xwk h SER 72 CO 0.00 -0.29 -0.12 0.78 -0.87 0.00 0.00 176.83 176.33 1xwk h ASN 73 N -0.01 0.00 -0.17 4.97 4.21 -1.95 0.14 115.58 122.78 1xwk h ASN 73 Ca 0.36 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.78 1xwk h ASN 73 Cb 0.61 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1xwk h ASN 73 CO -0.98 0.12 -0.21 0.00 -1.29 0.00 0.00 177.43 175.07 1xwk h ALA 74 N 1.88 0.25 -0.70 -0.83 0.00 -0.44 -2.85 119.26 116.57 1xwk h ALA 74 Ca -0.00 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1xwk h ALA 74 Cb 0.25 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1xwk h ALA 74 CO 0.02 0.20 0.36 0.82 0.00 0.00 0.00 179.25 180.65 1xwk h ILE 75 N 0.09 1.22 -0.31 0.00 2.04 -0.30 -2.39 117.51 117.86 1xwk h ILE 75 Ca 0.02 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1xwk h ILE 75 Cb 0.77 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1xwk h ILE 75 CO 0.05 0.25 0.20 -0.07 0.00 0.00 0.00 178.15 178.58 1xwk h LEU 76 N 0.96 0.36 -0.77 1.44 3.38 -1.00 -2.29 115.31 117.39 1xwk h LEU 76 Ca 0.24 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1xwk h LEU 76 Cb 0.07 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xwk h LEU 76 CO -0.04 0.26 0.17 0.00 0.09 0.00 0.00 178.44 178.93 1xwk h TYR 78 N 1.05 -0.18 0.05 0.00 3.20 -1.19 0.31 116.97 120.20 1xwk h TYR 78 Ca 0.22 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 1xwk h TYR 78 Cb 0.36 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1xwk h TYR 78 CO 0.03 -0.14 -0.02 0.82 -1.64 0.00 0.00 178.16 177.21 1xwk h ILE 79 N -0.02 1.22 -0.32 1.81 2.04 -1.20 -3.24 117.51 117.80 1xwk h ILE 79 Ca 0.14 -0.90 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1xwk h ILE 79 Cb 0.23 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1xwk h ILE 79 CO -0.30 0.23 0.22 0.00 0.00 0.00 0.00 178.15 178.30 1xwk h ALA 80 N 0.46 2.08 -0.47 1.87 0.00 -0.11 -2.34 119.26 120.75 1xwk h ALA 80 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xwk h ALA 80 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1xwk h ALA 80 CO 0.01 -0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.22 1xwk h ARG 81 N 0.17 0.72 0.00 0.00 3.08 -0.41 0.70 114.38 118.64 1xwk h ARG 81 Ca 0.15 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1xwk h ARG 81 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1xwk h ARG 81 CO -0.02 0.65 0.00 0.87 -1.07 0.00 0.00 179.97 180.40 1xwk h LYS 82 N 0.69 0.00 0.00 0.04 1.57 -1.49 -3.09 116.57 114.30 1xwk h LYS 82 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xwk h LYS 82 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xwk h LYS 82 CO -0.00 0.00 -0.21 0.72 -0.57 0.00 0.00 179.45 179.39 1xwk n HIS 83 N -2.49 0.00 -3.69 -1.35 8.25 -0.86 -5.03 115.22 110.05 1xwk n HIS 83 Ca 0.00 -0.50 -0.22 0.00 -0.26 0.00 0.00 57.72 56.74 1xwk n HIS 83 Cb 0.17 -0.09 0.04 0.00 1.12 0.00 0.00 29.99 31.23 1xwk n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xwk n ASN 84 N -0.70 -2.36 -0.22 0.41 5.03 -0.52 -4.90 115.26 112.01 1xwk n ASN 84 Ca 0.07 -0.76 0.03 0.00 0.87 0.00 0.00 54.58 54.80 1xwk n ASN 84 Cb 0.63 -4.28 0.07 0.00 -1.02 0.00 0.00 39.78 35.19 1xwk n ASN 84 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1xwk n LEU 85 N -4.38 2.39 -0.92 3.41 4.77 0.13 -4.54 117.00 117.85 1xwk n LEU 85 Ca -0.21 -2.23 0.08 0.00 -0.03 0.00 0.00 56.01 53.62 1xwk n LEU 85 Cb 0.64 -0.15 0.23 0.00 -2.33 0.00 0.00 43.42 41.81 1xwk n LEU 85 CO 0.68 0.60 0.69 0.00 -1.33 0.00 0.00 177.39 178.03 1xwk n GLY 87 N 1.31 1.78 1.32 0.00 0.00 -1.26 -4.83 105.19 103.50 1xwk n GLY 87 Ca 0.17 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xwk n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwk n GLU 88 N 1.70 0.00 -0.94 1.61 1.02 -1.26 -4.91 120.64 117.87 1xwk n GLU 88 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1xwk n GLU 88 Cb 0.00 -0.21 0.23 0.00 -0.02 0.00 0.00 31.44 31.44 1xwk n GLU 88 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xwk s THR 89 N -1.60 1.74 0.01 2.62 -4.23 -1.26 -4.83 115.64 108.08 1xwk s THR 89 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 1xwk s THR 89 Cb 0.00 -2.38 -0.14 0.00 1.34 0.00 0.00 72.50 71.32 1xwk s THR 89 CO 0.00 0.00 1.07 -0.08 -0.54 0.00 0.00 174.62 175.07 1xwk h GLU 90 N -2.50 -0.78 -0.80 3.99 4.57 -2.00 -2.62 114.58 114.45 1xwk h GLU 90 Ca -0.51 0.05 0.20 0.00 -1.18 0.00 0.00 59.36 57.93 1xwk h GLU 90 Cb 1.32 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 30.04 1xwk h GLU 90 CO 0.44 -0.48 0.55 0.93 -1.18 0.00 0.00 179.01 179.26 1xwk h GLU 91 N -1.15 0.20 -0.21 1.92 4.39 -1.98 -0.80 114.58 116.95 1xwk h GLU 91 Ca -0.08 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1xwk h GLU 91 Cb 0.65 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1xwk h GLU 91 CO 0.14 0.13 0.02 0.93 -1.16 0.00 0.00 179.01 179.07 1xwk h GLU 92 N 0.20 0.36 -0.01 2.33 5.08 -1.80 -2.34 114.58 118.41 1xwk h GLU 92 Ca 0.39 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 1xwk h GLU 92 Cb 1.24 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1xwk h GLU 92 CO -0.08 0.53 -0.16 0.87 -1.00 0.00 0.00 179.01 179.16 1xwk h LYS 93 N 0.15 0.01 0.70 2.33 1.57 -0.77 -1.00 116.57 119.55 1xwk h LYS 93 Ca 0.06 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1xwk h LYS 93 Cb 0.35 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xwk h LYS 93 CO 0.01 0.18 -0.33 0.82 -0.57 0.00 0.00 179.45 179.55 1xwk h ILE 94 N 0.01 0.04 -1.00 1.86 2.04 -1.26 -0.72 117.51 118.47 1xwk h ILE 94 Ca 0.00 -0.31 0.17 0.00 1.00 0.00 0.00 64.86 65.72 1xwk h ILE 94 Cb 0.30 0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 36.33 1xwk h ILE 94 CO 0.02 0.01 0.62 0.03 0.00 0.00 0.00 178.15 178.83 1xwk h ARG 95 N -1.23 0.82 0.10 2.37 3.08 -1.25 0.17 114.38 118.44 1xwk h ARG 95 Ca -0.10 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1xwk h ARG 95 Cb 0.73 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1xwk h ARG 95 CO 0.16 0.54 -0.05 0.28 -1.07 0.00 0.00 179.97 179.83 1xwk h VAL 96 N 0.84 0.98 -0.09 2.04 2.07 -1.15 -0.94 116.25 120.01 1xwk h VAL 96 Ca 0.55 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.81 1xwk h VAL 96 Cb 0.76 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 1xwk h VAL 96 CO -0.34 0.07 -0.09 0.44 0.02 0.00 0.00 177.57 177.68 1xwk h ASP 97 N -0.26 -0.26 0.25 0.57 3.32 0.53 0.41 116.42 120.98 1xwk h ASP 97 Ca -0.01 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1xwk h ASP 97 Cb 0.22 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1xwk h ASP 97 CO 0.02 -0.12 -0.30 0.40 -1.72 0.00 0.00 179.24 177.52 1xwk h ILE 98 N -0.11 0.37 -0.56 0.35 2.04 -0.68 -2.91 117.51 116.01 1xwk h ILE 98 Ca 0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.88 1xwk h ILE 98 Cb 0.20 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1xwk h ILE 98 CO -0.15 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.11 1xwk h LEU 99 N -0.60 0.81 -1.10 1.44 3.38 -1.03 0.30 115.31 118.51 1xwk h LEU 99 Ca -0.00 -0.20 0.30 0.00 0.09 0.00 0.00 57.88 58.07 1xwk h LEU 99 Cb 0.57 -0.21 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 1xwk h LEU 99 CO -0.09 0.79 0.62 -0.08 0.09 0.00 0.00 178.44 179.77 1xwk h GLU 100 N 0.78 0.38 0.06 1.13 4.81 -0.07 -0.55 114.58 121.12 1xwk h GLU 100 Ca 0.18 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 59.03 1xwk h GLU 100 Cb 0.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1xwk h GLU 100 CO -0.01 0.25 -2.13 0.09 -0.73 0.00 0.00 179.01 176.48 1xwk n ASN 101 N -4.90 1.72 0.06 1.04 3.02 -1.06 -3.81 115.26 111.34 1xwk n ASN 101 Ca 0.30 0.12 -0.11 0.00 -0.03 0.00 0.00 54.58 54.86 1xwk n ASN 101 Cb 0.94 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 1xwk n ASN 101 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1xwk h GLN 102 N 0.04 -0.30 -0.62 3.52 5.75 0.26 -1.34 115.11 122.40 1xwk h GLN 102 Ca -0.46 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.10 1xwk h GLN 102 Cb 2.01 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 30.59 1xwk h GLN 102 CO 0.03 -0.20 0.36 1.79 -2.65 0.00 0.00 178.83 178.16 1xwk h THR 103 N -0.32 1.01 -0.44 2.39 1.35 -1.33 -1.00 112.91 114.57 1xwk h THR 103 Ca 0.05 -0.23 0.05 0.00 -0.55 0.00 0.00 66.41 65.73 1xwk h THR 103 Cb 0.38 0.27 -0.02 0.00 -1.73 0.00 0.00 68.15 67.04 1xwk h THR 103 CO -0.17 0.12 0.30 -0.03 -0.25 0.00 0.00 175.52 175.49 1xwk h MET 104 N 0.68 0.38 0.38 4.72 1.85 -1.55 0.77 114.93 122.16 1xwk h MET 104 Ca 0.27 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.32 1xwk h MET 104 Cb 0.11 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1xwk h MET 104 CO -0.15 0.25 -0.18 -0.44 -0.40 0.00 0.00 176.91 175.99 1xwk h ASP 105 N 0.39 -0.43 -0.95 1.39 5.19 -0.08 -2.51 116.42 119.41 1xwk h ASP 105 Ca 0.19 0.01 0.27 0.00 -0.62 0.00 0.00 57.03 56.89 1xwk h ASP 105 Cb 0.26 0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 1xwk h ASP 105 CO -0.05 -0.15 0.68 0.78 -3.12 0.00 0.00 179.24 177.38 1xwk h ASN 106 N -0.83 0.03 0.44 6.45 -0.26 -1.03 -0.76 115.58 119.63 1xwk h ASN 106 Ca -0.05 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 1xwk h ASN 106 Cb 0.39 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 1xwk h ASN 106 CO 0.09 0.01 -0.21 -0.74 -1.06 0.00 0.00 177.43 175.51 1xwk h HIS 107 N 0.03 -0.55 -0.83 1.19 2.76 -0.88 -2.99 115.15 113.87 1xwk h HIS 107 Ca 0.46 -0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.83 1xwk h HIS 107 Cb 1.79 0.18 -0.05 0.00 1.55 0.00 0.00 27.41 30.88 1xwk h HIS 107 CO -0.00 -0.31 0.57 0.52 -1.30 0.00 0.00 177.93 177.42 1xwk h MET 108 N -1.13 0.20 0.40 5.26 2.86 -0.81 0.72 114.93 122.43 1xwk h MET 108 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1xwk h MET 108 Cb 0.49 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1xwk h MET 108 CO 0.10 0.13 -0.20 1.96 1.06 0.00 0.00 176.91 179.97 1xwk h GLN 109 N 0.21 -0.52 0.01 1.72 4.20 -1.19 0.23 115.11 119.77 1xwk h GLN 109 Ca 0.42 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1xwk h GLN 109 Cb 1.31 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.21 1xwk h GLN 109 CO -0.09 -0.35 -0.01 1.25 -0.67 0.00 0.00 178.83 178.96 1xwk h LEU 110 N -0.54 -0.03 -0.86 1.46 5.85 -1.02 -2.75 115.31 117.43 1xwk h LEU 110 Ca -0.05 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.80 1xwk h LEU 110 Cb 0.42 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.37 1xwk h LEU 110 CO 0.08 -0.02 0.47 1.23 -0.34 0.00 0.00 178.44 179.87 1xwk h GLY 111 N -0.02 1.38 0.73 3.75 0.00 -0.70 -1.26 103.07 106.96 1xwk h GLY 111 Ca -0.00 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.08 1xwk h GLY 111 CO -0.00 0.03 0.08 -0.33 0.00 0.00 0.00 176.54 176.31 1xwk h MET 112 N 0.71 0.19 0.01 4.80 2.86 -0.23 -2.02 114.93 121.25 1xwk h MET 112 Ca 0.45 -0.01 -0.22 0.00 -2.06 0.00 0.00 59.70 57.86 1xwk h MET 112 Cb 0.56 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 1xwk h MET 112 CO -0.32 0.12 -0.94 -0.84 1.06 0.00 0.00 176.91 175.99 1xwk h ILE 113 N 0.19 1.47 0.00 -1.22 3.07 -1.39 -2.44 117.51 117.20 1xwk h ILE 113 Ca 0.12 -2.62 0.00 0.00 1.55 0.00 0.00 64.86 63.92 1xwk h ILE 113 Cb 0.11 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.16 1xwk h ILE 113 CO -0.14 0.77 0.00 0.00 -1.05 0.00 0.00 178.15 177.73 1xwk n TYR 115 N -2.02 0.00 -2.70 0.00 4.01 -0.77 -0.07 117.16 115.61 1xwk n TYR 115 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1xwk n TYR 115 Cb 0.19 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1xwk n TYR 115 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1xwk s ASN 116 N -2.19 7.26 0.38 7.72 3.84 -0.62 -4.71 114.94 126.61 1xwk s ASN 116 Ca 0.08 1.54 0.11 0.00 0.21 0.00 0.00 52.86 54.80 1xwk s ASN 116 Cb 0.12 -2.55 0.89 0.00 -0.55 0.00 0.00 41.25 39.16 1xwk s ASN 116 CO 0.53 -0.41 1.89 -0.65 -2.79 0.00 0.00 177.10 175.66 1xwk h PRO 117 N 7.05 0.59 -0.93 0.43 0.11 -1.92 0.55 132.00 137.87 1xwk h PRO 117 Ca -0.33 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.73 1xwk h PRO 117 Cb 1.16 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1xwk h PRO 117 CO 0.84 0.39 0.02 0.39 -0.21 0.00 0.00 178.00 179.43 1xwk n GLU 118 N -4.53 1.69 -0.34 1.05 1.02 -1.26 -4.50 120.64 113.77 1xwk n GLU 118 Ca 0.16 -0.62 0.11 0.00 -0.02 0.00 0.00 57.16 56.79 1xwk n GLU 118 Cb 0.49 -1.58 0.24 0.00 -0.02 0.00 0.00 31.44 30.56 1xwk n GLU 118 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1xwk h PHE 119 N 0.69 -0.18 -0.95 -0.32 3.57 -1.08 0.23 116.94 118.91 1xwk h PHE 119 Ca 0.02 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.67 1xwk h PHE 119 Cb 0.89 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 39.81 1xwk h PHE 119 CO 0.24 -0.41 0.62 1.49 -2.23 0.00 0.00 178.31 178.01 1xwk h GLU 120 N 0.01 1.04 -0.06 1.11 4.57 -1.85 0.71 114.58 120.11 1xwk h GLU 120 Ca 0.55 -0.06 -0.23 0.00 -1.18 0.00 0.00 59.36 58.43 1xwk h GLU 120 Cb 1.04 -0.23 0.02 0.00 -0.16 0.00 0.00 28.75 29.42 1xwk h GLU 120 CO -0.93 0.69 -0.88 -0.22 -1.18 0.00 0.00 179.01 176.49 1xwk h LYS 121 N 1.07 0.70 -0.05 1.92 3.64 -0.92 -3.31 116.57 119.61 1xwk h LYS 121 Ca 0.42 -0.67 -0.13 0.00 -1.27 0.00 0.00 60.65 59.00 1xwk h LYS 121 Cb 0.24 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1xwk h LYS 121 CO -0.17 1.27 -0.55 -0.07 -2.27 0.00 0.00 179.45 177.65 1xwk h LEU 122 N 0.38 0.18 -0.73 5.20 4.07 -1.03 -3.34 115.31 120.03 1xwk h LEU 122 Ca -0.09 -0.09 0.16 0.00 0.08 0.00 0.00 57.88 57.93 1xwk h LEU 122 Cb 1.53 -0.05 -0.13 0.00 1.08 0.00 0.00 40.66 43.09 1xwk h LEU 122 CO 0.18 0.70 -0.11 0.50 -1.08 0.00 0.00 178.44 178.63 1xwk h LYS 123 N 0.12 0.04 -0.69 1.13 3.64 -0.95 -2.78 116.57 117.08 1xwk h LYS 123 Ca -0.00 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 1xwk h LYS 123 Cb 1.02 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.71 1xwk h LYS 123 CO 0.08 0.02 0.05 -1.35 -2.27 0.00 0.00 179.45 175.99 1xwk h PRO 124 N 0.04 0.15 -0.04 1.90 0.11 -1.76 -2.11 132.00 130.28 1xwk h PRO 124 Ca 0.37 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 1xwk h PRO 124 Cb 0.61 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1xwk h PRO 124 CO -0.71 0.10 -0.03 -0.22 -0.21 0.00 0.00 178.00 176.92 1xwk h LYS 125 N 0.15 0.10 -0.67 1.05 3.64 -1.75 -2.74 116.57 116.35 1xwk h LYS 125 Ca 0.38 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.85 1xwk h LYS 125 Cb 0.64 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 1xwk h LYS 125 CO -0.57 0.54 0.12 -0.92 -2.27 0.00 0.00 179.45 176.35 1xwk h TYR 126 N -0.34 0.18 -0.50 1.91 3.20 -1.37 -0.60 116.97 119.44 1xwk h TYR 126 Ca 0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1xwk h TYR 126 Cb 0.52 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1xwk h TYR 126 CO 0.09 -0.09 0.03 -0.07 -1.64 0.00 0.00 178.16 176.47 1xwk h LEU 127 N 0.23 0.78 -1.66 2.82 3.38 -1.43 -0.96 115.31 118.46 1xwk h LEU 127 Ca 0.37 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1xwk h LEU 127 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1xwk h LEU 127 CO -0.49 0.83 -0.17 -0.08 0.09 0.00 0.00 178.44 178.63 1xwk h GLU 128 N 0.77 0.00 0.08 1.13 4.81 -0.82 -3.18 114.58 117.37 1xwk h GLU 128 Ca 0.15 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.05 1xwk h GLU 128 Cb 0.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1xwk h GLU 128 CO 0.02 0.17 -1.82 0.93 -0.73 0.00 0.00 179.01 177.57 1xwk h GLU 129 N 0.00 0.17 -0.94 1.92 5.08 -0.97 -3.42 114.58 116.42 1xwk h GLU 129 Ca -0.00 -0.29 0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1xwk h GLU 129 Cb 0.30 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 29.48 1xwk h GLU 129 CO 0.02 0.94 -0.16 -0.11 -1.00 0.00 0.00 179.01 178.71 1xwk n LEU 130 N -3.32 -0.27 -0.27 1.33 7.94 -0.40 -1.94 117.00 120.07 1xwk n LEU 130 Ca -0.24 1.61 0.07 0.00 -1.11 0.00 0.00 56.01 56.34 1xwk n LEU 130 Cb 1.05 -0.52 0.20 0.00 0.53 0.00 0.00 43.42 44.68 1xwk n LEU 130 CO 0.45 -1.57 0.87 -0.65 -1.11 0.00 0.00 177.39 175.38 1xwk h PRO 131 N 0.00 0.16 -0.55 1.96 0.11 -1.81 0.85 132.00 132.71 1xwk h PRO 131 Ca 0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.51 1xwk h PRO 131 Cb 0.83 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1xwk h PRO 131 CO -0.94 0.10 0.05 1.49 -0.21 0.00 0.00 178.00 178.49 1xwk h GLU 132 N 0.16 0.91 0.35 1.05 4.57 -1.71 -0.39 114.58 119.53 1xwk h GLU 132 Ca 0.45 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.38 1xwk h GLU 132 Cb 0.82 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 1xwk h GLU 132 CO -0.63 0.88 -0.27 0.87 -1.18 0.00 0.00 179.01 178.68 1xwk h LYS 133 N 0.86 -0.60 -0.54 1.92 1.57 -0.90 -1.84 116.57 117.05 1xwk h LYS 133 Ca 0.17 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 1xwk h LYS 133 Cb 0.44 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.83 1xwk h LYS 133 CO 0.02 -0.40 0.23 -0.07 -0.57 0.00 0.00 179.45 178.66 1xwk h LEU 134 N -0.62 0.28 -1.14 2.94 4.07 -1.13 -2.00 115.31 117.71 1xwk h LEU 134 Ca -0.03 0.05 0.15 0.00 0.08 0.00 0.00 57.88 58.14 1xwk h LEU 134 Cb 0.54 0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.20 1xwk h LEU 134 CO -0.00 0.19 0.61 0.50 -1.08 0.00 0.00 178.44 178.65 1xwk h LYS 135 N 0.43 0.76 -0.64 1.13 3.64 -0.75 -0.62 116.57 120.53 1xwk h LYS 135 Ca 0.25 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1xwk h LYS 135 Cb 0.24 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1xwk h LYS 135 CO -0.23 0.51 0.42 -0.07 -2.27 0.00 0.00 179.45 177.81 1xwk h LEU 136 N 0.79 0.72 -0.56 5.20 3.38 -0.56 0.16 115.31 124.45 1xwk h LEU 136 Ca 0.50 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.38 1xwk h LEU 136 Cb 0.74 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1xwk h LEU 136 CO -0.27 0.52 0.05 1.88 0.09 0.00 0.00 178.44 180.71 1xwk h TYR 137 N 0.86 1.02 0.45 1.13 0.05 -1.08 0.57 116.97 119.96 1xwk h TYR 137 Ca 0.23 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1xwk h TYR 137 Cb -0.09 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 37.38 1xwk h TYR 137 CO -0.03 0.91 -0.22 1.03 -1.05 0.00 0.00 178.16 178.79 1xwk h SER 138 N 0.84 -0.53 -0.66 3.88 0.87 -0.67 0.49 113.55 117.75 1xwk h SER 138 Ca 0.16 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1xwk h SER 138 Cb 0.47 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 1xwk h SER 138 CO 0.02 -0.38 0.33 -0.33 -0.53 0.00 0.00 176.83 175.95 1xwk h GLU 139 N -0.62 0.58 0.24 2.24 4.39 -0.64 0.17 114.58 120.95 1xwk h GLU 139 Ca -0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1xwk h GLU 139 Cb 0.48 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xwk h GLU 139 CO 0.09 0.38 -0.15 0.35 -1.16 0.00 0.00 179.01 178.53 1xwk h PHE 140 N 0.60 -0.39 -0.10 4.33 3.57 -0.58 -3.16 116.94 121.21 1xwk h PHE 140 Ca 0.31 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 1xwk h PHE 140 Cb 0.28 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 1xwk h PHE 140 CO -0.10 -0.24 0.02 1.25 -2.23 0.00 0.00 178.31 177.01 1xwk h LEU 141 N -0.38 0.14 0.00 0.59 5.85 -0.61 -3.47 115.31 117.43 1xwk h LEU 141 Ca -0.02 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xwk h LEU 141 Cb 0.32 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1xwk h LEU 141 CO 0.02 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.06 1xwk n GLY 142 N -0.51 3.67 1.11 3.75 0.00 0.59 -1.76 105.19 112.03 1xwk n GLY 142 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1xwk n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwk n LYS 143 N 14.00 2.69 -2.87 1.61 4.76 -1.26 -4.95 118.16 132.14 1xwk n LYS 143 Ca 0.00 -1.94 -0.36 0.00 -2.87 0.00 0.00 58.31 53.14 1xwk n LYS 143 Cb 0.00 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.51 1xwk n LYS 143 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1xwk s ARG 144 N -1.63 4.42 0.30 1.97 0.52 -0.72 -4.96 118.95 118.85 1xwk s ARG 144 Ca 0.35 1.16 0.11 0.00 -0.52 0.00 0.00 55.73 56.83 1xwk s ARG 144 Cb 0.21 -2.68 0.46 0.00 0.52 0.00 0.00 34.95 33.47 1xwk s ARG 144 CO 0.19 0.24 1.68 -1.00 0.02 0.00 0.00 175.30 176.42 1xwk h PRO 145 N 2.93 0.02 -4.61 3.54 0.13 -1.89 -3.45 132.00 128.66 1xwk h PRO 145 Ca -0.47 -0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 1xwk h PRO 145 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1xwk h PRO 145 CO 0.64 0.55 -0.66 -1.58 -0.23 0.00 0.00 178.00 176.72 1xwk s TRP 146 N -3.81 1.00 0.14 1.56 0.52 -0.87 -4.99 118.94 112.50 1xwk s TRP 146 Ca -0.02 -1.08 -0.13 0.00 0.02 0.00 0.00 56.10 54.89 1xwk s TRP 146 Cb 0.13 -0.58 -0.00 0.00 -1.15 0.00 0.00 33.47 31.87 1xwk s TRP 146 CO 0.75 -0.32 1.58 0.74 0.02 0.00 0.00 176.95 179.73 1xwk h PHE 147 N 2.82 0.86 -0.22 -1.98 -1.00 -1.87 -3.00 116.94 112.56 1xwk h PHE 147 Ca -0.36 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.19 1xwk h PHE 147 Cb 1.19 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 1xwk h PHE 147 CO 0.51 0.84 -0.23 0.00 -1.61 0.00 0.00 178.31 177.82 1xwk h ALA 148 N 0.90 1.21 0.00 2.45 0.00 -1.92 -3.48 119.26 118.43 1xwk h ALA 148 Ca 0.12 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xwk h ALA 148 Cb 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xwk h ALA 148 CO 0.02 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1xwk n GLY 149 N -0.50 -0.49 0.17 0.00 0.00 -1.14 -4.61 105.19 98.63 1xwk n GLY 149 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1xwk n GLY 149 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xwk h ASN 150 N 0.00 0.00 -3.34 1.61 -0.26 -1.95 -2.30 115.58 109.34 1xwk h ASN 150 Ca 0.00 -0.02 -0.66 0.00 -0.56 0.00 0.00 56.30 55.07 1xwk h ASN 150 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.14 1xwk h ASN 150 CO 0.00 0.01 -0.65 -0.54 -1.06 0.00 0.00 177.43 175.19 1xwk s LYS 151 N -3.24 2.69 0.32 0.81 1.02 -1.26 -4.77 119.74 115.31 1xwk s LYS 151 Ca 0.05 -0.72 -0.26 0.00 0.02 0.00 0.00 55.97 55.06 1xwk s LYS 151 Cb 0.08 -2.62 -0.10 0.00 -0.52 0.00 0.00 37.83 34.68 1xwk s LYS 151 CO 0.70 0.58 0.98 -1.50 -0.92 0.00 0.00 175.35 175.19 1xwk s ILE 152 N -1.22 4.01 0.26 2.17 2.07 -1.26 -4.46 121.20 122.77 1xwk s ILE 152 Ca 0.23 1.72 0.01 0.00 -1.41 0.00 0.00 60.65 61.20 1xwk s ILE 152 Cb -0.12 -3.98 -0.05 0.00 0.13 0.00 0.00 42.46 38.45 1xwk s ILE 152 CO 0.15 0.18 0.12 0.42 -1.91 0.00 0.00 174.94 173.90 1xwk s THR 153 N -1.52 0.40 0.54 4.00 -4.23 -1.26 -4.79 115.64 108.78 1xwk s THR 153 Ca 0.50 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 1xwk s THR 153 Cb -0.22 -2.58 0.34 0.00 1.34 0.00 0.00 72.50 71.38 1xwk s THR 153 CO 0.27 0.00 2.20 2.19 -0.54 0.00 0.00 174.62 178.75 1xwk h PHE 154 N 2.37 0.00 0.00 3.99 -5.15 -1.69 -2.26 116.94 114.20 1xwk h PHE 154 Ca -0.36 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.38 1xwk h PHE 154 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.41 1xwk h PHE 154 CO 0.61 0.04 -0.12 -0.39 -2.00 0.00 0.00 178.31 176.45 1xwk h VAL 155 N 0.00 0.68 0.00 0.88 -1.51 -1.93 -1.19 116.25 113.18 1xwk h VAL 155 Ca -0.00 -0.48 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1xwk h VAL 155 Cb 0.10 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1xwk h VAL 155 CO 0.00 0.11 -0.14 0.44 -1.23 0.00 0.00 177.57 176.76 1xwk h ASP 156 N 0.00 0.00 0.19 4.19 3.32 -1.82 0.76 116.42 123.06 1xwk h ASP 156 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1xwk h ASP 156 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1xwk h ASP 156 CO 0.02 0.14 -0.84 -0.26 -1.72 0.00 0.00 179.24 176.58 1xwk h PHE 157 N 0.00 0.70 -0.19 4.55 -1.00 -1.37 -1.95 116.94 117.68 1xwk h PHE 157 Ca -0.00 -0.34 -0.07 0.00 2.81 0.00 0.00 57.97 60.36 1xwk h PHE 157 Cb 0.34 -0.10 -0.00 0.00 3.61 0.00 0.00 35.95 39.80 1xwk h PHE 157 CO 0.00 1.14 -0.16 -0.07 -1.61 0.00 0.00 178.31 177.61 1xwk h LEU 158 N 0.32 0.48 -0.91 1.54 3.38 -1.14 -2.13 115.31 116.85 1xwk h LEU 158 Ca -0.06 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 1xwk h LEU 158 Cb 1.45 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1xwk h LEU 158 CO 0.15 0.84 0.23 0.58 0.09 0.00 0.00 178.44 180.33 1xwk h VAL 159 N 0.12 1.24 0.79 1.22 2.07 -0.95 -2.18 116.25 118.57 1xwk h VAL 159 Ca 0.03 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1xwk h VAL 159 Cb 0.69 0.48 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1xwk h VAL 159 CO 0.04 0.32 -0.38 0.22 0.02 0.00 0.00 177.57 177.80 1xwk h TYR 160 N 1.00 -0.98 -0.81 1.57 5.03 -1.29 0.15 116.97 121.63 1xwk h TYR 160 Ca 0.22 -0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.70 1xwk h TYR 160 Cb 0.26 0.33 -0.12 0.00 1.55 0.00 0.00 36.73 38.74 1xwk h TYR 160 CO 0.02 -0.60 0.21 0.22 -1.32 0.00 0.00 178.16 176.69 1xwk h ASP 161 N -1.10 0.02 0.33 -2.11 3.58 -1.28 0.91 116.42 116.77 1xwk h ASP 161 Ca -0.11 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1xwk h ASP 161 Cb 0.82 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.10 1xwk h ASP 161 CO 0.18 -0.08 -0.16 0.58 -2.88 0.00 0.00 179.24 176.87 1xwk h VAL 162 N 0.25 0.69 -0.81 2.25 2.07 -1.17 -0.08 116.25 119.45 1xwk h VAL 162 Ca 0.48 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1xwk h VAL 162 Cb 0.89 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 1xwk h VAL 162 CO -0.58 0.07 0.53 -0.07 0.02 0.00 0.00 177.57 177.55 1xwk h LEU 163 N -0.66 0.86 0.40 2.57 3.38 0.95 -2.51 115.31 120.31 1xwk h LEU 163 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1xwk h LEU 163 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xwk h LEU 163 CO 0.08 0.59 -0.19 -0.78 0.09 0.00 0.00 178.44 178.22 1xwk h ASP 164 N 0.99 -0.46 -1.12 -0.43 3.58 0.89 -2.69 116.42 117.19 1xwk h ASP 164 Ca 0.33 -0.09 0.31 0.00 0.42 0.00 0.00 57.03 57.99 1xwk h ASP 164 Cb 0.05 0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.16 1xwk h ASP 164 CO -0.10 -0.16 0.77 -0.07 -2.88 0.00 0.00 179.24 176.80 1xwk h LEU 165 N -0.76 0.16 0.00 2.28 3.38 -0.77 0.31 115.31 119.92 1xwk h LEU 165 Ca -0.05 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1xwk h LEU 165 Cb 0.52 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1xwk h LEU 165 CO 0.09 0.03 -0.45 0.45 0.09 0.00 0.00 178.44 178.65 1xwk h HIS 166 N 0.14 0.00 0.01 1.13 3.86 -1.22 -1.75 115.15 117.32 1xwk h HIS 166 Ca 0.57 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.59 1xwk h HIS 166 Cb 1.96 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.41 1xwk h HIS 166 CO -0.00 0.34 -0.87 0.07 0.86 0.00 0.00 177.93 178.33 1xwk h ARG 167 N 0.00 0.06 -0.12 2.45 0.11 -0.64 0.15 114.38 116.40 1xwk h ARG 167 Ca -0.01 -0.08 -0.03 0.00 0.10 0.00 0.00 59.98 59.96 1xwk h ARG 167 Cb 1.27 0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.37 1xwk h ARG 167 CO 0.04 0.89 -0.04 0.82 0.10 0.00 0.00 179.97 181.78 1xwk h ILE 168 N 0.03 1.30 -0.49 0.08 2.04 -1.37 0.17 117.51 119.28 1xwk h ILE 168 Ca -0.02 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.74 1xwk h ILE 168 Cb 1.52 1.73 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1xwk h ILE 168 CO 0.12 0.29 -0.00 0.15 0.00 0.00 0.00 178.15 178.71 1xwk h PHE 169 N -0.09 0.94 -1.77 1.37 3.57 -1.29 -3.40 116.94 116.27 1xwk h PHE 169 Ca 0.03 -0.16 -0.27 0.00 3.53 0.00 0.00 57.97 61.09 1xwk h PHE 169 Cb 0.48 -0.25 -0.29 0.00 2.79 0.00 0.00 35.95 38.68 1xwk h PHE 169 CO 0.06 0.89 -0.61 -2.00 -2.23 0.00 0.00 178.31 174.42 1xwk s GLU 170 N -5.01 0.57 0.30 1.11 2.56 0.54 -5.05 118.70 113.72 1xwk s GLU 170 Ca -0.12 -0.44 0.06 0.00 0.00 0.00 0.00 54.97 54.47 1xwk s GLU 170 Cb 0.11 -0.49 0.82 0.00 2.00 0.00 0.00 34.13 36.57 1xwk s GLU 170 CO 0.82 -1.14 1.68 -1.35 -0.56 0.00 0.00 175.26 174.72 1xwk h PRO 171 N 7.47 0.35 0.00 4.30 0.11 -0.81 -1.04 132.00 142.39 1xwk h PRO 171 Ca -0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1xwk h PRO 171 Cb 1.09 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1xwk h PRO 171 CO 0.22 0.23 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 1xwk n LYS 172 N -5.07 0.56 -0.11 1.05 5.02 -1.26 -4.25 118.16 114.10 1xwk n LYS 172 Ca 0.25 0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.50 1xwk n LYS 172 Cb 0.74 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 34.27 1xwk n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xwk n LEU 174 N -5.22 0.41 -0.35 0.00 4.32 -1.26 -4.14 117.00 110.75 1xwk n LEU 174 Ca 0.02 0.55 0.28 0.00 -0.02 0.00 0.00 56.01 56.84 1xwk n LEU 174 Cb 0.20 -0.44 0.59 0.00 -1.62 0.00 0.00 43.42 42.15 1xwk n LEU 174 CO 0.19 -0.17 1.24 0.44 -1.22 0.00 0.00 177.39 177.87 1xwk h ASP 175 N 0.00 0.32 0.26 -1.43 5.19 -1.69 -0.17 116.42 118.90 1xwk h ASP 175 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1xwk h ASP 175 Cb 0.55 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1xwk h ASP 175 CO 0.00 0.01 -0.07 0.00 -3.12 0.00 0.00 179.24 176.06 1xwk n ALA 176 N -2.54 2.71 -3.80 3.45 0.00 -1.26 -4.53 120.51 114.54 1xwk n ALA 176 Ca 0.28 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 1xwk n ALA 176 Cb 1.08 -1.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.04 1xwk n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xwk s PHE 177 N -2.33 2.62 0.14 0.00 0.08 -0.07 -4.99 117.98 113.44 1xwk s PHE 177 Ca 0.34 -2.84 -0.22 0.00 0.12 0.00 0.00 56.93 54.32 1xwk s PHE 177 Cb 0.21 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1xwk s PHE 177 CO 0.44 -0.73 1.64 -1.00 -0.10 0.00 0.00 175.22 175.47 1xwk h PRO 178 N 6.32 -0.22 -0.54 0.24 0.13 -1.79 -1.35 132.00 134.78 1xwk h PRO 178 Ca 0.02 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 65.32 1xwk h PRO 178 Cb 0.88 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1xwk h PRO 178 CO 0.59 -0.15 0.46 -2.95 -0.23 0.00 0.00 178.00 175.72 1xwk h ASN 179 N -0.23 0.00 0.36 1.44 -0.00 -1.94 0.40 115.58 115.62 1xwk h ASN 179 Ca 0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 56.30 56.14 1xwk h ASN 179 Cb 0.41 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.75 1xwk h ASN 179 CO -0.33 0.00 -1.20 -0.07 -0.00 0.00 0.00 177.43 175.83 1xwk h LEU 180 N 0.00 0.65 -0.27 6.14 3.38 -1.62 -1.46 115.31 122.13 1xwk h LEU 180 Ca 0.26 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1xwk h LEU 180 Cb 1.17 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1xwk h LEU 180 CO -0.00 1.45 0.06 0.11 0.09 0.00 0.00 178.44 180.14 1xwk h LYS 181 N 0.19 0.45 -0.48 1.13 1.57 0.20 -1.63 116.57 117.99 1xwk h LYS 181 Ca -0.15 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1xwk h LYS 181 Cb 1.88 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1xwk h LYS 181 CO 0.21 0.55 0.28 -0.44 -0.57 0.00 0.00 179.45 179.48 1xwk h ASP 182 N 0.27 0.57 -0.66 0.86 3.32 -0.69 0.01 116.42 120.11 1xwk h ASP 182 Ca 0.08 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1xwk h ASP 182 Cb 0.31 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1xwk h ASP 182 CO 0.00 0.46 0.29 0.15 -1.72 0.00 0.00 179.24 178.42 1xwk h PHE 183 N 0.66 0.98 -0.42 4.55 3.57 -0.86 0.16 116.94 125.58 1xwk h PHE 183 Ca 0.17 -0.06 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1xwk h PHE 183 Cb -0.00 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 1xwk h PHE 183 CO 0.00 0.75 -0.13 0.82 -2.23 0.00 0.00 178.31 177.52 1xwk h ILE 184 N 0.92 1.26 0.27 1.41 2.04 -0.13 -0.49 117.51 122.79 1xwk h ILE 184 Ca 0.22 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1xwk h ILE 184 Cb 0.16 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1xwk h ILE 184 CO -0.02 0.40 -0.13 0.28 0.00 0.00 0.00 178.15 178.68 1xwk h SER 185 N 0.68 -0.31 -0.72 1.72 0.02 -0.70 -1.88 113.55 112.36 1xwk h SER 185 Ca 0.11 -0.12 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1xwk h SER 185 Cb 0.61 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1xwk h SER 185 CO 0.04 -0.06 0.47 -0.09 -1.14 0.00 0.00 176.83 176.05 1xwk h ARG 186 N -0.56 0.71 -0.03 3.45 2.43 -0.57 0.40 114.38 120.21 1xwk h ARG 186 Ca -0.04 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1xwk h ARG 186 Cb 0.41 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xwk h ARG 186 CO 0.06 0.47 -0.21 0.35 -1.51 0.00 0.00 179.97 179.13 1xwk h PHE 187 N 0.73 0.26 0.00 2.20 3.57 -0.99 -3.15 116.94 119.56 1xwk h PHE 187 Ca 0.31 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1xwk h PHE 187 Cb 0.29 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1xwk h PHE 187 CO -0.00 0.86 -0.05 0.93 -2.23 0.00 0.00 178.31 177.83 1xwk h GLU 188 N -0.42 0.00 0.00 1.11 5.08 -1.12 -2.87 114.58 116.35 1xwk h GLU 188 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xwk h GLU 188 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1xwk h GLU 188 CO 0.04 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.51 1xwk n GLY 189 N 0.32 -1.27 3.70 -3.84 0.00 0.14 -3.06 105.19 101.19 1xwk n GLY 189 Ca 0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1xwk n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwk s LEU 190 N -3.59 4.36 0.07 0.99 1.43 -1.09 -4.80 118.68 116.06 1xwk s LEU 190 Ca 0.08 2.48 -0.14 0.00 -1.03 0.00 0.00 54.13 55.53 1xwk s LEU 190 Cb 0.12 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1xwk s LEU 190 CO 0.40 -0.82 1.22 1.21 0.23 0.00 0.00 176.35 178.59 1xwk n GLU 191 N 4.74 -0.20 0.23 1.70 2.13 -1.26 0.95 120.64 128.93 1xwk n GLU 191 Ca 0.14 1.20 0.07 0.00 0.66 0.00 0.00 57.16 59.24 1xwk n GLU 191 Cb 0.40 -1.78 0.57 0.00 0.27 0.00 0.00 31.44 30.89 1xwk n GLU 191 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xwk h LYS 192 N 0.00 0.00 0.22 5.31 1.57 -1.93 -0.62 116.57 121.12 1xwk h LYS 192 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1xwk h LYS 192 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1xwk h LYS 192 CO -0.43 0.16 -0.11 0.82 -0.57 0.00 0.00 179.45 179.33 1xwk h ILE 193 N 0.00 0.76 -0.33 1.86 1.08 -1.31 -1.47 117.51 118.10 1xwk h ILE 193 Ca -0.00 -0.92 0.07 0.00 -0.39 0.00 0.00 64.86 63.62 1xwk h ILE 193 Cb 0.31 1.22 -0.08 0.00 -3.07 0.00 0.00 36.82 35.20 1xwk h ILE 193 CO 0.02 0.17 -0.28 -1.28 -0.69 0.00 0.00 178.15 176.10 1xwk h SER 194 N -0.83 -0.91 -0.23 1.72 0.87 0.83 -0.48 113.55 114.51 1xwk h SER 194 Ca -0.03 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1xwk h SER 194 Cb 0.51 0.43 -0.04 0.00 -0.44 0.00 0.00 62.40 62.86 1xwk h SER 194 CO 0.05 -0.30 -0.05 0.00 -0.53 0.00 0.00 176.83 176.00 1xwk h ALA 195 N 0.81 0.16 -0.72 6.23 0.00 -1.16 -1.80 119.26 122.79 1xwk h ALA 195 Ca 0.16 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.22 1xwk h ALA 195 Cb 0.50 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1xwk h ALA 195 CO -0.47 -0.47 0.47 -0.92 0.00 0.00 0.00 179.25 177.87 1xwk h TYR 196 N 0.01 0.77 0.00 0.00 3.20 -0.32 -1.84 116.97 118.79 1xwk h TYR 196 Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1xwk h TYR 196 Cb 0.17 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1xwk h TYR 196 CO -0.23 0.41 -0.35 0.52 -1.64 0.00 0.00 178.16 176.87 1xwk h MET 197 N 0.77 0.00 -0.01 1.82 2.86 -0.25 -2.51 114.93 117.60 1xwk h MET 197 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1xwk h MET 197 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1xwk h MET 197 CO -0.10 0.35 -0.03 1.63 1.06 0.00 0.00 176.91 179.82 1xwk n LYS 198 N -4.03 1.48 -2.23 1.72 5.02 -0.73 -4.84 118.16 114.55 1xwk n LYS 198 Ca -0.02 -0.80 -0.27 0.00 -2.02 0.00 0.00 58.31 55.20 1xwk n LYS 198 Cb 0.40 -1.48 0.15 0.00 -0.02 0.00 0.00 35.03 34.07 1xwk n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xwk s SER 199 N -2.07 3.74 0.34 4.39 1.04 -0.94 -4.99 113.70 115.20 1xwk s SER 199 Ca 0.37 -0.01 0.21 0.00 0.48 0.00 0.00 55.95 57.01 1xwk s SER 199 Cb 0.21 -0.21 0.20 0.00 0.10 0.00 0.00 66.02 66.32 1xwk s SER 199 CO 0.36 -2.30 1.42 0.77 0.98 0.00 0.00 173.24 174.47 1xwk h SER 200 N -1.10 0.00 -0.02 7.02 4.64 -1.91 -3.33 113.55 118.84 1xwk h SER 200 Ca -0.41 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.80 1xwk h SER 200 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 1xwk h SER 200 CO 0.40 0.11 -0.32 0.03 -0.87 0.00 0.00 176.83 176.18 1xwk h ARG 201 N 0.00 0.48 -6.04 4.77 3.08 -1.94 -3.45 114.38 111.28 1xwk h ARG 201 Ca -0.01 -0.21 -0.71 0.00 0.07 0.00 0.00 59.98 59.12 1xwk h ARG 201 Cb 1.09 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.11 1xwk h ARG 201 CO 0.01 0.75 1.23 0.34 -1.07 0.00 0.00 179.97 181.23 1xwk n PHE 202 N -4.08 1.67 -3.91 3.04 7.35 -1.25 -4.93 117.46 115.34 1xwk n PHE 202 Ca -0.01 0.46 -0.29 0.00 -0.76 0.00 0.00 57.45 56.85 1xwk n PHE 202 Cb 0.45 -2.46 -0.13 0.00 0.35 0.00 0.00 39.48 37.69 1xwk n PHE 202 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1xwk s LEU 203 N 5.84 4.65 0.00 -2.13 2.96 -1.26 -4.90 118.68 123.83 1xwk s LEU 203 Ca 1.08 -3.52 0.27 0.00 -0.22 0.00 0.00 54.13 51.74 1xwk s LEU 203 Cb -1.05 -1.65 0.82 0.00 0.50 0.00 0.00 46.19 44.82 1xwk s LEU 203 CO 0.58 -0.14 1.61 -0.81 -1.32 0.00 0.00 176.35 176.26 1xwk n PRO 204 N 2.43 1.10 -3.58 0.98 -0.04 -1.26 -4.38 135.00 130.25 1xwk n PRO 204 Ca 0.14 -0.65 -0.16 0.00 -0.04 0.00 0.00 63.50 62.79 1xwk n PRO 204 Cb 0.34 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 1xwk n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xwk s ARG 205 N -2.35 0.98 0.57 0.54 0.52 -1.26 -4.37 118.95 113.57 1xwk s ARG 205 Ca 0.28 0.00 -0.20 0.00 -0.52 0.00 0.00 55.73 55.29 1xwk s ARG 205 Cb 0.20 0.45 -0.04 0.00 0.52 0.00 0.00 34.95 36.08 1xwk s ARG 205 CO 0.46 -0.32 1.24 -2.14 0.02 0.00 0.00 175.30 174.57 1xwk s PRO 206 N -1.65 3.09 0.12 3.54 0.02 -1.26 -4.70 135.00 134.16 1xwk s PRO 206 Ca -0.10 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 62.69 1xwk s PRO 206 Cb -0.01 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1xwk s PRO 206 CO 0.05 -1.14 1.59 0.28 -0.33 0.00 0.00 177.00 177.45 1xwk h VAL 207 N 1.12 1.25 -0.95 3.83 2.07 -1.63 -1.41 116.25 120.52 1xwk h VAL 207 Ca -0.50 -0.93 -0.65 0.00 0.82 0.00 0.00 66.70 65.43 1xwk h VAL 207 Cb 1.29 1.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.02 1xwk h VAL 207 CO 0.56 0.32 -0.50 -0.36 0.02 0.00 0.00 177.57 177.60 1xwk s PHE 208 N -5.10 1.79 1.18 1.57 0.08 -0.43 -1.55 117.98 115.51 1xwk s PHE 208 Ca -0.13 -1.09 -0.19 0.00 0.12 0.00 0.00 56.93 55.63 1xwk s PHE 208 Cb 0.10 -1.46 0.28 0.00 -0.57 0.00 0.00 43.02 41.38 1xwk s PHE 208 CO 0.78 0.04 1.16 -1.54 -0.10 0.00 0.00 175.22 175.56 1xwk s SER 209 N -3.81 1.15 0.51 1.36 1.04 -1.26 -4.54 113.70 108.15 1xwk s SER 209 Ca 0.08 0.47 0.26 0.00 0.48 0.00 0.00 55.95 57.25 1xwk s SER 209 Cb 0.01 -0.61 1.39 0.00 0.10 0.00 0.00 66.02 66.91 1xwk s SER 209 CO 0.05 -3.96 2.06 0.11 0.98 0.00 0.00 173.24 172.48 1xwk h LYS 210 N -2.48 0.00 0.00 4.02 1.57 -1.95 -2.59 116.57 115.14 1xwk h LYS 210 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1xwk h LYS 210 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1xwk h LYS 210 CO 0.31 0.13 0.00 0.52 -0.57 0.00 0.00 179.45 179.84 1xwk h MET 211 N 0.00 0.00 -7.14 3.15 2.86 -1.91 -3.45 114.93 108.44 1xwk h MET 211 Ca -0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 1xwk h MET 211 Cb 0.34 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.13 1xwk h MET 211 CO 0.02 0.00 0.43 0.00 1.06 0.00 0.00 176.91 178.42 1xwk s ALA 212 N -3.64 2.40 -0.16 6.32 0.00 -0.98 -4.90 121.76 120.80 1xwk s ALA 212 Ca 0.01 0.91 0.21 0.00 0.00 0.00 0.00 51.96 53.09 1xwk s ALA 212 Cb 0.09 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1xwk s ALA 212 CO 0.48 -1.41 0.81 0.28 0.00 0.00 0.00 175.76 175.93 1xwk n VAL 213 N -2.07 0.60 -4.28 0.00 0.31 0.91 -4.56 118.33 109.23 1xwk n VAL 213 Ca 0.13 -0.58 -0.18 0.00 -0.01 0.00 0.00 64.34 63.71 1xwk n VAL 213 Cb 0.50 -0.33 -0.13 0.00 -0.91 0.00 0.00 33.84 32.97 1xwk n VAL 213 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1xwk s TRP 214 N -3.29 0.92 -1.96 3.52 -0.00 -1.13 -4.78 118.94 112.23 1xwk s TRP 214 Ca -0.03 -0.30 0.00 0.00 -0.00 0.00 0.00 56.10 55.77 1xwk s TRP 214 Cb 0.10 -0.56 0.00 0.00 -0.00 0.00 0.00 33.47 33.01 1xwk s TRP 214 CO 0.83 -0.01 0.00 0.41 -0.00 0.00 0.00 176.95 178.18 1xwk n GLY 215 N 2.20 0.99 0.07 5.86 0.00 -1.26 -4.66 105.19 108.39 1xwk n GLY 215 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.96 1xwk n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xwk n ASN 216 N -1.54 0.43 0.00 1.61 0.23 -1.26 -1.32 115.26 113.41 1xwk n ASN 216 Ca -0.21 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 1xwk n ASN 216 Cb 0.66 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1xwk n ASN 216 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50