#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbk s GLN 2 N 0.00 3.23 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.61 1wbk s GLN 2 Ca 0.00 -0.72 -0.03 0.00 0.05 0.00 0.00 55.36 54.66 1wbk s GLN 2 Cb 0.00 -2.72 -0.01 0.00 1.10 0.00 0.00 33.01 31.38 1wbk s GLN 2 CO 0.00 -0.07 -0.08 0.42 -0.55 0.00 0.00 175.29 175.01 1wbk s ILE 3 N 1.05 3.17 0.66 -2.34 1.01 -1.26 -5.11 121.20 118.39 1wbk s ILE 3 Ca -0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 1wbk s ILE 3 Cb -0.15 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.95 1wbk s ILE 3 CO -0.03 0.46 0.99 0.42 0.00 0.00 0.00 174.94 176.77 1wbk s THR 4 N 1.20 3.03 -0.21 2.92 -4.23 -1.26 -5.03 115.64 112.06 1wbk s THR 4 Ca 0.02 -0.03 0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1wbk s THR 4 Cb -0.14 -3.26 0.49 0.00 1.34 0.00 0.00 72.50 70.93 1wbk s THR 4 CO -0.03 -0.29 1.41 0.18 -0.54 0.00 0.00 174.62 175.35 1wbk n LEU 5 N -2.81 3.79 0.24 4.79 4.77 -1.26 -4.57 117.00 121.95 1wbk n LEU 5 Ca 0.06 -3.30 0.10 0.00 -0.03 0.00 0.00 56.01 52.84 1wbk n LEU 5 Cb 0.59 -0.57 0.58 0.00 -2.33 0.00 0.00 43.42 41.69 1wbk n LEU 5 CO 0.53 0.89 0.88 -0.50 -1.33 0.00 0.00 177.39 177.86 1wbk h TRP 6 N 1.29 0.00 -3.21 -1.77 4.06 -2.06 -3.43 115.95 110.83 1wbk h TRP 6 Ca 0.08 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.62 1wbk h TRP 6 Cb 1.47 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.49 1wbk h TRP 6 CO 0.63 0.20 -0.63 1.14 -3.56 0.00 0.00 178.44 176.22 1wbk s GLN 7 N -4.02 1.48 0.31 0.49 -2.07 -1.26 -5.11 119.66 109.48 1wbk s GLN 7 Ca -0.02 -1.79 -0.30 0.00 -1.82 0.00 0.00 55.36 51.44 1wbk s GLN 7 Cb 0.12 -0.66 -0.11 0.00 -1.09 0.00 0.00 33.01 31.27 1wbk s GLN 7 CO 0.62 -0.17 1.59 0.54 -1.32 0.00 0.00 175.29 176.56 1wbk n ARG 8 N -0.54 2.74 -1.63 9.60 1.74 -1.26 -4.85 116.66 122.46 1wbk n ARG 8 Ca -0.03 0.97 -0.42 0.00 -0.77 0.00 0.00 57.85 57.60 1wbk n ARG 8 Cb 0.65 -2.75 -0.02 0.00 -1.02 0.00 0.00 32.46 29.32 1wbk n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wbk n PRO 9 N 1.91 2.42 -3.32 5.56 -0.04 -1.26 -4.93 135.00 135.33 1wbk n PRO 9 Ca 0.07 -2.42 -0.38 0.00 -0.04 0.00 0.00 63.50 60.73 1wbk n PRO 9 Cb 0.37 -3.21 -0.06 0.00 -0.04 0.00 0.00 33.50 30.56 1wbk n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wbk s LEU 10 N 2.38 4.35 0.25 1.53 1.43 -1.26 -1.34 118.68 126.01 1wbk s LEU 10 Ca 0.52 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.57 1wbk s LEU 10 Cb 0.13 -2.73 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 1wbk s LEU 10 CO -0.00 0.08 0.05 0.68 0.23 0.00 0.00 176.35 177.39 1wbk s VAL 11 N 0.11 0.80 -0.01 -1.59 -7.23 0.01 -4.94 120.40 107.55 1wbk s VAL 11 Ca 0.27 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 58.28 1wbk s VAL 11 Cb -0.16 -2.51 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 1wbk s VAL 11 CO 0.13 -0.15 0.41 -0.89 -0.31 0.00 0.00 175.10 174.28 1wbk s THR 12 N -3.58 5.05 0.15 5.32 2.01 -1.26 -1.06 115.64 122.26 1wbk s THR 12 Ca 0.33 0.83 0.07 0.00 0.31 0.00 0.00 61.69 63.23 1wbk s THR 12 Cb 0.07 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1wbk s THR 12 CO 0.11 0.56 -0.15 0.27 -0.69 0.00 0.00 174.62 174.72 1wbk s ILE 13 N -0.94 1.54 -0.13 1.82 -4.36 0.42 -2.90 121.20 116.64 1wbk s ILE 13 Ca 0.24 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 1wbk s ILE 13 Cb -0.16 -1.71 0.01 0.00 1.25 0.00 0.00 42.46 41.85 1wbk s ILE 13 CO 0.13 -0.41 -0.20 -0.75 0.24 0.00 0.00 174.94 173.95 1wbk s LYS 14 N -2.86 2.77 -0.12 0.37 2.20 0.10 -1.35 119.74 120.85 1wbk s LYS 14 Ca 0.13 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.91 1wbk s LYS 14 Cb -0.04 -2.27 0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1wbk s LYS 14 CO 0.05 -0.03 0.29 -1.50 -0.36 0.00 0.00 175.35 173.79 1wbk s ILE 15 N 0.88 -0.03 -1.49 5.43 2.07 -0.47 -1.25 121.20 126.34 1wbk s ILE 15 Ca -0.07 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.21 1wbk s ILE 15 Cb -0.15 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.03 1wbk s ILE 15 CO -0.02 0.04 0.69 0.61 -1.91 0.00 0.00 174.94 174.35 1wbk n GLY 16 N 3.88 -0.52 2.74 1.50 0.00 -1.26 -1.14 105.19 110.39 1wbk n GLY 16 Ca -0.22 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1wbk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbk n GLY 17 N -1.55 0.35 3.47 -0.02 0.00 -1.26 -5.00 105.19 101.18 1wbk n GLY 17 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1wbk n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wbk s GLN 18 N -0.78 2.14 -0.05 1.61 -0.21 -0.29 -5.12 119.66 116.97 1wbk s GLN 18 Ca 0.00 -0.94 -0.16 0.00 0.02 0.00 0.00 55.36 54.28 1wbk s GLN 18 Cb 0.00 -2.23 -0.05 0.00 1.00 0.00 0.00 33.01 31.73 1wbk s GLN 18 CO 0.00 0.55 0.41 -0.51 -2.12 0.00 0.00 175.29 173.62 1wbk s LEU 19 N -1.41 4.40 0.08 2.90 1.43 -1.26 -1.36 118.68 123.45 1wbk s LEU 19 Ca 0.15 0.88 -0.06 0.00 -1.03 0.00 0.00 54.13 54.07 1wbk s LEU 19 Cb -0.11 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1wbk s LEU 19 CO 0.05 0.22 0.11 -0.54 0.23 0.00 0.00 176.35 176.42 1wbk s LYS 20 N -0.48 0.78 -0.11 1.70 1.02 -0.46 -4.98 119.74 117.21 1wbk s LYS 20 Ca 0.24 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 55.07 1wbk s LYS 20 Cb -0.16 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 1wbk s LYS 20 CO 0.12 -0.22 0.12 -1.21 -0.92 0.00 0.00 175.35 173.24 1wbk s GLU 21 N -3.90 3.37 0.05 1.68 2.02 -1.26 -0.44 118.70 120.22 1wbk s GLU 21 Ca 0.07 -0.18 -0.05 0.00 0.02 0.00 0.00 54.97 54.83 1wbk s GLU 21 Cb 0.06 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 1wbk s GLU 21 CO -0.09 0.76 0.08 0.00 0.02 0.00 0.00 175.26 176.03 1wbk s ALA 22 N -1.02 0.08 -0.17 5.21 0.00 -0.23 -4.45 121.76 121.18 1wbk s ALA 22 Ca 0.15 -0.77 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 1wbk s ALA 22 Cb -0.12 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1wbk s ALA 22 CO 0.04 -0.38 0.12 -1.17 0.00 0.00 0.00 175.76 174.38 1wbk s LEU 23 N -2.55 4.22 -0.50 0.00 2.96 0.07 -0.81 118.68 122.07 1wbk s LEU 23 Ca 0.01 0.30 -0.28 0.00 -0.22 0.00 0.00 54.13 53.95 1wbk s LEU 23 Cb 0.03 -2.06 0.03 0.00 0.50 0.00 0.00 46.19 44.69 1wbk s LEU 23 CO -0.08 0.27 1.08 -0.76 -1.32 0.00 0.00 176.35 175.54 1wbk s LEU 24 N -0.19 3.72 -0.36 -0.68 1.43 -0.45 -0.93 118.68 121.23 1wbk s LEU 24 Ca 0.10 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 1wbk s LEU 24 Cb -0.11 -3.33 0.10 0.00 0.03 0.00 0.00 46.19 42.88 1wbk s LEU 24 CO 0.01 -1.25 0.07 -0.62 0.23 0.00 0.00 176.35 174.79 1wbk s ASP 25 N 2.55 4.78 0.40 2.29 -1.08 -0.60 -4.80 116.67 120.20 1wbk s ASP 25 Ca 0.43 -2.20 0.28 0.00 -0.52 0.00 0.00 52.55 50.54 1wbk s ASP 25 Cb -0.08 -1.64 1.35 0.00 -1.46 0.00 0.00 42.92 41.08 1wbk s ASP 25 CO 0.28 -0.38 1.86 0.71 0.52 0.00 0.00 175.17 178.16 1wbk h THR 26 N 6.53 0.00 -0.00 1.71 1.35 -1.94 -2.08 112.91 118.47 1wbk h THR 26 Ca -0.05 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1wbk h THR 26 Cb 1.01 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1wbk h THR 26 CO 0.54 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 176.27 1wbk n GLY 27 N -0.54 -1.22 3.69 5.82 0.00 -1.26 -4.79 105.19 106.88 1wbk n GLY 27 Ca -0.00 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 1wbk n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbk s ALA 28 N -2.77 3.64 0.18 4.61 0.00 -0.78 -4.99 121.76 121.65 1wbk s ALA 28 Ca 0.20 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1wbk s ALA 28 Cb 0.19 -2.24 0.08 0.00 0.00 0.00 0.00 23.12 21.15 1wbk s ALA 28 CO 0.54 -0.01 1.45 -0.44 0.00 0.00 0.00 175.76 177.30 1wbk h ASP 29 N 7.09 0.45 -2.07 0.00 3.32 -1.86 0.07 116.42 123.41 1wbk h ASP 29 Ca -0.39 -0.29 -0.58 0.00 0.02 0.00 0.00 57.03 55.78 1wbk h ASP 29 Cb 1.16 -0.13 -0.13 0.00 0.22 0.00 0.00 39.33 40.44 1wbk h ASP 29 CO 0.71 1.02 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.87 1wbk s ASP 30 N -6.96 3.33 -0.21 6.45 1.01 -1.26 -2.68 116.67 116.35 1wbk s ASP 30 Ca -0.05 -1.47 -0.10 0.00 0.71 0.00 0.00 52.55 51.64 1wbk s ASP 30 Cb 0.11 -0.01 -0.05 0.00 1.01 0.00 0.00 42.92 43.98 1wbk s ASP 30 CO 0.83 -0.64 0.15 -0.89 0.21 0.00 0.00 175.17 174.83 1wbk s THR 31 N -2.98 5.39 -0.06 -1.27 2.01 -1.26 -3.26 115.64 114.20 1wbk s THR 31 Ca 0.28 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1wbk s THR 31 Cb 0.07 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.11 1wbk s THR 31 CO 0.14 0.40 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.69 1wbk s VAL 32 N 0.63 0.87 0.22 3.82 1.01 -0.53 -0.28 120.40 126.14 1wbk s VAL 32 Ca 0.08 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.85 1wbk s VAL 32 Cb -0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1wbk s VAL 32 CO 0.01 0.30 -0.12 -0.76 0.00 0.00 0.00 175.10 174.53 1wbk s LEU 33 N 0.86 2.86 0.83 3.92 1.43 0.58 -0.40 118.68 128.76 1wbk s LEU 33 Ca -0.12 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1wbk s LEU 33 Cb -0.15 -1.49 0.09 0.00 0.03 0.00 0.00 46.19 44.68 1wbk s LEU 33 CO 0.01 0.07 1.13 -1.61 0.23 0.00 0.00 176.35 176.18 1wbk s GLU 34 N -3.11 1.70 -0.18 1.70 2.02 -1.26 -2.08 118.70 117.48 1wbk s GLU 34 Ca 0.27 1.40 -0.42 0.00 0.02 0.00 0.00 54.97 56.23 1wbk s GLU 34 Cb -0.07 -1.82 -0.19 0.00 0.10 0.00 0.00 34.13 32.15 1wbk s GLU 34 CO 0.15 -2.10 1.33 -1.91 0.02 0.00 0.00 175.26 172.75 1wbk n GLU 35 N -3.74 0.19 -3.81 1.61 4.07 -1.24 -4.67 120.64 113.06 1wbk n GLU 35 Ca 0.11 0.07 -0.05 0.00 -0.06 0.00 0.00 57.16 57.23 1wbk n GLU 35 Cb 0.52 -1.60 -0.00 0.00 -0.06 0.00 0.00 31.44 30.30 1wbk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wbk s MET 36 N 1.33 1.50 -0.19 5.31 0.23 -1.26 -5.06 119.30 121.17 1wbk s MET 36 Ca 0.96 -0.88 -0.08 0.00 -1.03 0.00 0.00 55.69 54.66 1wbk s MET 36 Cb -1.30 0.48 -0.04 0.00 -1.53 0.00 0.00 34.83 32.43 1wbk s MET 36 CO 0.65 -0.69 0.08 0.45 -2.03 0.00 0.00 175.02 173.48 1wbk s SER 37 N -3.03 5.80 0.11 -1.18 0.15 -1.26 -5.06 113.70 109.22 1wbk s SER 37 Ca 0.14 0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.97 1wbk s SER 37 Cb -0.03 -2.00 -0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1wbk s SER 37 CO 0.05 0.18 -0.13 -0.76 1.20 0.00 0.00 173.24 173.78 1wbk s LEU 38 N 0.35 2.39 0.64 3.45 1.43 -1.26 -5.03 118.68 120.65 1wbk s LEU 38 Ca 0.05 -0.79 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1wbk s LEU 38 Cb -0.12 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1wbk s LEU 38 CO -0.01 -0.18 1.04 -2.16 0.23 0.00 0.00 176.35 175.28 1wbk s PRO 39 N -2.60 3.31 0.44 1.29 0.04 -1.26 -4.95 135.00 131.27 1wbk s PRO 39 Ca 0.06 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1wbk s PRO 39 Cb -0.05 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1wbk s PRO 39 CO 0.02 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1wbk n GLY 40 N -2.04 -2.33 3.93 0.56 0.00 -1.26 -4.95 105.19 99.10 1wbk n GLY 40 Ca 0.07 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 1wbk n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wbk s ARG 41 N -0.39 3.53 0.24 1.61 0.52 -1.26 -5.11 118.95 118.10 1wbk s ARG 41 Ca 0.00 -0.15 0.09 0.00 -0.52 0.00 0.00 55.73 55.14 1wbk s ARG 41 Cb 0.00 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 32.81 1wbk s ARG 41 CO 0.00 0.11 -0.14 1.67 0.02 0.00 0.00 175.30 176.95 1wbk s TRP 42 N -2.32 1.94 0.19 -0.53 1.48 -1.26 -4.70 118.94 113.74 1wbk s TRP 42 Ca 0.42 -0.52 0.11 0.00 -1.06 0.00 0.00 56.10 55.05 1wbk s TRP 42 Cb -0.10 -0.92 -0.04 0.00 -1.16 0.00 0.00 33.47 31.24 1wbk s TRP 42 CO 0.36 0.46 -0.20 0.15 -4.06 0.00 0.00 176.95 173.66 1wbk s LYS 43 N -3.62 1.68 0.38 3.25 1.02 -0.55 -4.89 119.74 117.01 1wbk s LYS 43 Ca 0.26 -1.44 -0.20 0.00 0.02 0.00 0.00 55.97 54.60 1wbk s LYS 43 Cb -0.01 -1.94 -0.10 0.00 -0.52 0.00 0.00 37.83 35.25 1wbk s LYS 43 CO 0.10 0.41 0.89 -1.25 -0.92 0.00 0.00 175.35 174.58 1wbk s PRO 44 N -2.71 4.24 -0.11 -1.68 0.04 -1.26 -0.34 135.00 133.17 1wbk s PRO 44 Ca 0.22 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.02 1wbk s PRO 44 Cb -0.08 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.15 1wbk s PRO 44 CO 0.11 0.09 0.65 0.21 0.04 0.00 0.00 177.00 178.10 1wbk s LYS 45 N -2.89 0.94 -0.10 4.56 2.20 -1.07 -4.86 119.74 118.52 1wbk s LYS 45 Ca 0.57 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.66 1wbk s LYS 45 Cb -0.11 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 1wbk s LYS 45 CO 0.16 -0.24 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.07 1wbk s MET 46 N -0.69 3.01 -0.01 4.03 -1.94 -1.26 -1.02 119.30 121.43 1wbk s MET 46 Ca -0.08 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.15 1wbk s MET 46 Cb -0.02 -2.37 -0.02 0.00 2.01 0.00 0.00 34.83 34.43 1wbk s MET 46 CO 0.06 0.26 -0.19 0.96 -0.01 0.00 0.00 175.02 176.10 1wbk s ILE 47 N 0.17 1.51 -0.15 2.53 -4.36 -0.98 -4.98 121.20 114.93 1wbk s ILE 47 Ca -0.12 -0.86 -0.04 0.00 -0.26 0.00 0.00 60.65 59.38 1wbk s ILE 47 Cb -0.16 -1.26 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 1wbk s ILE 47 CO 0.06 0.39 -0.03 -0.83 0.24 0.00 0.00 174.94 174.77 1wbk s GLY 48 N -0.54 1.74 0.00 6.27 0.00 -1.26 -1.89 107.32 111.63 1wbk s GLY 48 Ca 0.07 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1wbk s GLY 48 CO -0.00 -0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.62 1wbk n GLY 49 N 3.45 5.60 0.20 0.20 0.00 0.15 -4.97 105.19 109.82 1wbk n GLY 49 Ca -0.17 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.82 1wbk n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wbk h ILE 50 N 0.17 1.19 -0.51 -0.61 2.10 -2.02 -3.00 117.51 114.81 1wbk h ILE 50 Ca 0.00 -1.07 0.00 0.00 1.08 0.00 0.00 64.86 64.87 1wbk h ILE 50 Cb 0.00 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 1wbk h ILE 50 CO 0.00 0.30 0.00 0.61 -1.08 0.00 0.00 178.15 177.98 1wbk n GLY 51 N -0.60 2.01 0.00 8.18 0.00 -1.26 -5.07 105.19 108.45 1wbk n GLY 51 Ca -0.02 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1wbk n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbk n GLY 52 N 1.58 0.73 3.75 -0.02 0.00 -1.14 -5.10 105.19 104.99 1wbk n GLY 52 Ca 0.21 -2.10 -0.25 0.00 0.00 0.00 0.00 46.02 43.88 1wbk n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wbk s PHE 53 N -1.33 3.02 0.02 1.61 0.40 -1.26 0.34 117.98 120.78 1wbk s PHE 53 Ca 0.00 -0.08 -0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1wbk s PHE 53 Cb 0.00 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 1wbk s PHE 53 CO 0.00 0.53 0.03 0.96 0.70 0.00 0.00 175.22 177.43 1wbk s ILE 54 N -1.86 0.12 -0.04 0.64 -4.36 -0.79 -4.99 121.20 109.92 1wbk s ILE 54 Ca 0.30 -0.99 -0.16 0.00 -0.26 0.00 0.00 60.65 59.55 1wbk s ILE 54 Cb -0.09 -0.53 -0.05 0.00 1.25 0.00 0.00 42.46 43.04 1wbk s ILE 54 CO 0.22 -0.54 0.42 -0.54 0.24 0.00 0.00 174.94 174.74 1wbk s LYS 55 N -1.88 4.05 0.18 0.37 1.02 -1.26 -2.33 119.74 119.89 1wbk s LYS 55 Ca -0.12 0.41 0.02 0.00 0.02 0.00 0.00 55.97 56.30 1wbk s LYS 55 Cb -0.06 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 1wbk s LYS 55 CO -0.02 0.53 0.00 0.14 -0.92 0.00 0.00 175.35 175.08 1wbk s VAL 56 N -0.57 0.75 -0.20 3.17 -7.23 -0.19 -4.56 120.40 111.57 1wbk s VAL 56 Ca 0.24 -1.99 -0.09 0.00 -1.81 0.00 0.00 61.98 58.33 1wbk s VAL 56 Cb -0.16 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 1wbk s VAL 56 CO 0.12 -0.45 0.11 -0.13 -0.31 0.00 0.00 175.10 174.44 1wbk s ARG 57 N -3.90 4.09 -0.26 4.82 0.52 0.51 -2.60 118.95 122.12 1wbk s ARG 57 Ca 0.25 -0.28 -0.11 0.00 -0.52 0.00 0.00 55.73 55.07 1wbk s ARG 57 Cb 0.06 -3.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.12 1wbk s ARG 57 CO 0.05 0.25 0.19 -1.14 0.02 0.00 0.00 175.30 174.67 1wbk s GLN 58 N 0.47 4.00 -0.08 3.54 0.74 0.53 -0.67 119.66 128.19 1wbk s GLN 58 Ca 0.06 -0.28 0.02 0.00 0.05 0.00 0.00 55.36 55.21 1wbk s GLN 58 Cb -0.12 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 1wbk s GLN 58 CO -0.00 -0.09 -0.15 0.71 -0.55 0.00 0.00 175.29 175.21 1wbk s TYR 59 N 1.50 2.73 0.27 1.67 1.51 -0.10 -1.48 117.35 123.44 1wbk s TYR 59 Ca 0.08 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.82 1wbk s TYR 59 Cb -0.15 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1wbk s TYR 59 CO 0.09 -0.00 0.21 -0.51 -1.11 0.00 0.00 175.55 174.22 1wbk s ASP 60 N -0.26 5.42 -1.44 2.29 1.01 -1.26 -0.99 116.67 121.44 1wbk s ASP 60 Ca 0.01 -0.32 -0.05 0.00 0.71 0.00 0.00 52.55 52.90 1wbk s ASP 60 Cb -0.13 -1.29 0.04 0.00 1.01 0.00 0.00 42.92 42.55 1wbk s ASP 60 CO 0.03 -0.10 0.69 0.00 0.21 0.00 0.00 175.17 176.00 1wbk n GLN 61 N -1.20 -4.37 -3.52 8.23 6.02 -1.15 -4.92 117.38 116.47 1wbk n GLN 61 Ca -0.07 0.52 -0.37 0.00 -0.01 0.00 0.00 57.00 57.07 1wbk n GLN 61 Cb 0.58 -5.04 -0.06 0.00 1.02 0.00 0.00 30.24 26.74 1wbk n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1wbk s ILE 62 N -3.63 5.20 -0.07 5.09 -1.09 0.17 -4.76 121.20 122.10 1wbk s ILE 62 Ca 0.24 0.70 -0.26 0.00 -2.23 0.00 0.00 60.65 59.10 1wbk s ILE 62 Cb -0.12 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1wbk s ILE 62 CO 0.85 0.48 0.81 -0.22 -1.23 0.00 0.00 174.94 175.64 1wbk s LEU 63 N -0.30 4.30 -0.08 2.97 2.96 -1.26 -1.59 118.68 125.69 1wbk s LEU 63 Ca 0.21 1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 1wbk s LEU 63 Cb -0.15 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.31 1wbk s LEU 63 CO 0.09 -0.23 0.20 -0.51 -1.32 0.00 0.00 176.35 174.58 1wbk s ILE 64 N 1.19 -0.01 -0.20 6.68 2.07 0.30 -4.57 121.20 126.65 1wbk s ILE 64 Ca 0.42 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.65 1wbk s ILE 64 Cb -0.18 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1wbk s ILE 64 CO 0.20 0.02 0.03 -0.70 -1.91 0.00 0.00 174.94 172.58 1wbk s GLU 65 N 0.48 3.73 -0.27 3.50 2.12 -0.38 -0.00 118.70 127.87 1wbk s GLU 65 Ca -0.03 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.85 1wbk s GLU 65 Cb -0.04 -3.16 0.05 0.00 0.26 0.00 0.00 34.13 31.24 1wbk s GLU 65 CO -0.02 0.05 -0.08 0.42 -0.54 0.00 0.00 175.26 175.09 1wbk s ILE 66 N 0.93 2.43 -1.50 -3.70 1.01 0.79 -0.72 121.20 120.43 1wbk s ILE 66 Ca 0.02 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.04 1wbk s ILE 66 Cb -0.14 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 40.00 1wbk s ILE 66 CO 0.02 -0.03 0.89 0.00 0.00 0.00 0.00 174.94 175.83 1wbk n GLY 68 N -1.67 3.14 3.65 0.00 0.00 -1.26 -5.00 105.19 104.05 1wbk n GLY 68 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 1wbk n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wbk s HIS 69 N -1.74 3.34 0.08 1.61 4.02 0.03 -5.04 115.29 117.60 1wbk s HIS 69 Ca 0.00 1.05 -0.28 0.00 1.02 0.00 0.00 55.06 56.85 1wbk s HIS 69 Cb 0.00 -2.95 -0.06 0.00 -1.02 0.00 0.00 32.58 28.55 1wbk s HIS 69 CO 0.00 -0.31 0.89 0.15 1.02 0.00 0.00 174.74 176.49 1wbk s LYS 70 N 2.47 4.62 0.07 1.40 1.02 -1.26 -0.15 119.74 127.91 1wbk s LYS 70 Ca 0.32 1.31 0.03 0.00 0.02 0.00 0.00 55.97 57.66 1wbk s LYS 70 Cb -0.16 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1wbk s LYS 70 CO 0.09 0.23 -0.10 0.00 -0.92 0.00 0.00 175.35 174.64 1wbk s ALA 71 N 0.03 0.96 -0.20 5.17 0.00 1.00 -4.94 121.76 123.77 1wbk s ALA 71 Ca 0.44 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 1wbk s ALA 71 Cb -0.22 0.01 0.07 0.00 0.00 0.00 0.00 23.12 22.98 1wbk s ALA 71 CO 0.27 0.01 0.08 0.42 0.00 0.00 0.00 175.76 176.54 1wbk s ILE 72 N -1.89 0.12 0.00 0.00 1.01 -1.26 -0.54 121.20 118.63 1wbk s ILE 72 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1wbk s ILE 72 Cb -0.06 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1wbk s ILE 72 CO 0.00 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.21 1wbk n GLY 73 N 5.20 2.75 3.73 6.18 0.00 -0.62 -4.79 105.19 117.64 1wbk n GLY 73 Ca -0.07 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 1wbk n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wbk s THR 74 N -2.93 4.46 -0.05 2.61 2.01 -1.26 -0.65 115.64 119.82 1wbk s THR 74 Ca 0.00 2.02 0.03 0.00 0.31 0.00 0.00 61.69 64.05 1wbk s THR 74 Cb 0.00 -4.29 0.01 0.00 0.01 0.00 0.00 72.50 68.23 1wbk s THR 74 CO 0.00 0.30 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.42 1wbk s VAL 75 N 0.06 1.03 -0.01 3.82 1.01 -0.16 -4.49 120.40 121.67 1wbk s VAL 75 Ca 0.48 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 1wbk s VAL 75 Cb -0.24 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1wbk s VAL 75 CO 0.30 0.32 0.06 -0.76 0.00 0.00 0.00 175.10 175.03 1wbk s LEU 76 N 0.42 3.82 -0.07 3.92 1.43 0.61 -0.93 118.68 127.89 1wbk s LEU 76 Ca -0.09 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1wbk s LEU 76 Cb -0.13 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1wbk s LEU 76 CO 0.02 0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 176.04 1wbk s VAL 77 N -1.17 1.30 -0.01 -1.59 1.01 0.16 -0.30 120.40 119.80 1wbk s VAL 77 Ca 0.22 -0.57 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1wbk s VAL 77 Cb -0.12 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.11 1wbk s VAL 77 CO 0.13 0.39 0.40 0.61 0.00 0.00 0.00 175.10 176.63 1wbk n GLY 78 N 3.79 0.47 2.48 4.51 0.00 -0.89 -0.36 105.19 115.19 1wbk n GLY 78 Ca -0.22 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.76 1wbk n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wbk n PRO 79 N -0.29 1.55 -3.07 1.61 -0.04 -1.26 -3.60 135.00 129.90 1wbk n PRO 79 Ca 0.02 -1.02 -0.35 0.00 -0.04 0.00 0.00 63.50 62.10 1wbk n PRO 79 Cb 0.18 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.44 1wbk n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wbk s THR 80 N 2.90 4.55 0.42 0.52 -1.32 -1.26 -4.97 115.64 116.47 1wbk s THR 80 Ca 0.35 1.25 0.12 0.00 -1.21 0.00 0.00 61.69 62.21 1wbk s THR 80 Cb 0.12 -3.79 0.17 0.00 -1.51 0.00 0.00 72.50 67.49 1wbk s THR 80 CO -0.02 0.07 1.96 -0.65 -2.21 0.00 0.00 174.62 173.76 1wbk h PRO 81 N 3.00 0.10 -3.58 7.08 0.11 -1.98 -3.44 132.00 133.28 1wbk h PRO 81 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 1wbk h PRO 81 Cb 1.19 -0.01 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 1wbk h PRO 81 CO 0.65 0.27 -0.17 0.14 -0.21 0.00 0.00 178.00 178.67 1wbk s VAL 82 N -4.67 0.08 0.09 3.15 -7.23 -1.26 -5.09 120.40 105.47 1wbk s VAL 82 Ca -0.05 -0.95 -0.31 0.00 -1.81 0.00 0.00 61.98 58.87 1wbk s VAL 82 Cb 0.16 -1.45 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 1wbk s VAL 82 CO 0.71 -0.34 1.27 0.20 -0.31 0.00 0.00 175.10 176.63 1wbk s ASN 83 N -2.87 6.98 -0.09 4.85 0.01 -1.26 -4.70 114.94 117.86 1wbk s ASN 83 Ca 0.08 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.42 1wbk s ASN 83 Cb 0.02 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1wbk s ASN 83 CO -0.07 -0.53 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.18 1wbk s ILE 84 N 0.96 1.66 -0.38 0.60 1.01 0.47 -0.75 121.20 124.76 1wbk s ILE 84 Ca 0.60 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1wbk s ILE 84 Cb -0.33 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.69 1wbk s ILE 84 CO 0.30 0.47 0.25 -0.63 0.00 0.00 0.00 174.94 175.34 1wbk s ILE 85 N 0.57 4.98 0.53 2.92 -1.09 -0.11 -1.46 121.20 127.54 1wbk s ILE 85 Ca -0.15 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.63 1wbk s ILE 85 Cb -0.17 -3.73 0.10 0.00 -1.58 0.00 0.00 42.46 37.08 1wbk s ILE 85 CO 0.05 -0.22 0.72 0.61 -1.23 0.00 0.00 174.94 174.87 1wbk n GLY 86 N 5.08 1.00 0.37 6.18 0.00 -1.20 -1.56 105.19 115.06 1wbk n GLY 86 Ca -0.12 -2.06 0.15 0.00 0.00 0.00 0.00 46.02 43.99 1wbk n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wbk h ARG 87 N 0.00 0.33 -0.59 1.61 3.08 -1.02 -0.95 114.38 116.84 1wbk h ARG 87 Ca -0.24 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.85 1wbk h ARG 87 Cb 0.93 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.88 1wbk h ARG 87 CO 0.28 0.22 0.39 -2.95 -1.07 0.00 0.00 179.97 176.84 1wbk h ASN 88 N 0.34 0.49 0.09 7.04 -1.07 -1.78 -1.63 115.58 119.06 1wbk h ASN 88 Ca 0.32 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.37 1wbk h ASN 88 Cb 0.77 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.86 1wbk h ASN 88 CO -0.08 0.32 -2.23 0.18 0.07 0.00 0.00 177.43 175.69 1wbk n LEU 89 N -4.48 0.14 -0.16 6.14 4.77 -0.78 -4.10 117.00 118.54 1wbk n LEU 89 Ca 0.08 0.07 0.01 0.00 -0.03 0.00 0.00 56.01 56.14 1wbk n LEU 89 Cb 0.24 0.40 0.28 0.00 -2.33 0.00 0.00 43.42 42.02 1wbk n LEU 89 CO 0.34 0.43 1.20 -0.07 -1.33 0.00 0.00 177.39 177.96 1wbk h LEU 90 N 0.00 0.76 -1.07 2.23 3.38 -0.93 -1.29 115.31 118.39 1wbk h LEU 90 Ca -0.45 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1wbk h LEU 90 Cb 2.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1wbk h LEU 90 CO 0.03 0.57 -0.31 0.71 0.09 0.00 0.00 178.44 179.53 1wbk h THR 91 N 0.89 1.27 0.00 0.22 1.35 -1.48 -1.15 112.91 114.01 1wbk h THR 91 Ca 0.24 -1.28 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 1wbk h THR 91 Cb -0.07 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1wbk h THR 91 CO -0.05 0.39 -0.30 1.56 -0.25 0.00 0.00 175.52 176.87 1wbk h GLN 92 N 0.24 0.00 -0.37 4.72 4.20 -1.39 -2.08 115.11 120.43 1wbk h GLN 92 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1wbk h GLN 92 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1wbk h GLN 92 CO 0.05 0.30 0.00 0.44 -0.67 0.00 0.00 178.83 178.95 1wbk n ILE 93 N -4.08 0.48 -2.53 2.54 -5.35 -1.06 -4.95 119.36 104.42 1wbk n ILE 93 Ca -0.02 -0.65 -0.10 0.00 -0.27 0.00 0.00 62.75 61.71 1wbk n ILE 93 Cb 0.35 0.71 0.01 0.00 -1.74 0.00 0.00 39.64 38.98 1wbk n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wbk n GLY 94 N 1.40 0.11 3.73 3.28 0.00 -0.78 -5.01 105.19 107.92 1wbk n GLY 94 Ca 0.19 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1wbk n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbk s THR 96 N 0.04 0.62 -0.15 0.00 -4.23 -1.26 -4.70 115.64 105.96 1wbk s THR 96 Ca 0.46 -1.96 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1wbk s THR 96 Cb -0.23 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 1wbk s THR 96 CO 0.28 -0.59 0.12 -0.76 -0.54 0.00 0.00 174.62 173.13 1wbk s LEU 97 N -3.12 4.22 0.01 4.79 1.43 -1.26 -5.10 118.68 119.64 1wbk s LEU 97 Ca 0.20 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 1wbk s LEU 97 Cb 0.06 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 1wbk s LEU 97 CO 0.01 0.31 -0.06 0.20 0.23 0.00 0.00 176.35 177.04 1wbk s ASN 98 N -0.44 0.73 0.00 2.29 0.01 -1.26 -5.30 114.94 110.97 1wbk s ASN 98 Ca 0.11 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 1wbk s ASN 98 Cb -0.12 -0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.50 1wbk s ASN 98 CO 0.02 -0.01 0.00 2.22 -1.51 0.00 0.00 177.10 177.82