#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 -0.18 0.54 0.74 -1.26 -5.11 119.66 117.62 1wbk s GLN 2 Ca 0.00 -0.75 -0.03 0.00 0.05 0.00 0.00 55.36 54.63 1wbk s GLN 2 Cb 0.00 -2.60 -0.01 0.00 1.10 0.00 0.00 33.01 31.49 1wbk s GLN 2 CO 0.00 0.07 -0.06 0.42 -0.55 0.00 0.00 175.29 175.16 1wbk s ILE 3 N 0.69 3.41 0.56 -2.34 1.01 -1.26 -5.11 121.20 118.17 1wbk s ILE 3 Ca -0.07 -0.50 -0.08 0.00 0.00 0.00 0.00 60.65 60.00 1wbk s ILE 3 Cb -0.16 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1wbk s ILE 3 CO 0.02 0.46 0.91 0.42 0.00 0.00 0.00 174.94 176.75 1wbk s THR 4 N 0.95 4.48 -0.23 2.92 -4.23 -1.26 -5.01 115.64 113.27 1wbk s THR 4 Ca -0.01 0.39 0.14 0.00 -1.18 0.00 0.00 61.69 61.04 1wbk s THR 4 Cb -0.15 -3.75 0.58 0.00 1.34 0.00 0.00 72.50 70.52 1wbk s THR 4 CO 0.00 -0.85 1.51 0.18 -0.54 0.00 0.00 174.62 174.93 1wbk n LEU 5 N -2.54 4.38 -0.05 4.79 4.77 -1.26 -4.53 117.00 122.57 1wbk n LEU 5 Ca 0.04 -3.18 -0.00 0.00 -0.03 0.00 0.00 56.01 52.83 1wbk n LEU 5 Cb 0.55 -0.60 0.29 0.00 -2.33 0.00 0.00 43.42 41.33 1wbk n LEU 5 CO 0.55 0.79 1.01 -0.50 -1.33 0.00 0.00 177.39 177.92 1wbk h TRP 6 N 1.92 0.65 -2.22 -1.77 4.06 -2.06 -3.43 115.95 113.09 1wbk h TRP 6 Ca 0.08 -0.04 -0.56 0.00 2.06 0.00 0.00 58.89 60.43 1wbk h TRP 6 Cb 1.66 -0.20 -0.14 0.00 -1.00 0.00 0.00 29.16 29.48 1wbk h TRP 6 CO 0.75 0.55 -0.63 -0.65 -3.56 0.00 0.00 178.44 174.89 1wbk s GLN 7 N -5.20 1.76 0.31 0.49 1.11 -1.26 -5.10 119.66 111.76 1wbk s GLN 7 Ca -0.09 -1.96 -0.30 0.00 0.01 0.00 0.00 55.36 53.03 1wbk s GLN 7 Cb 0.16 -1.36 -0.11 0.00 -1.01 0.00 0.00 33.01 30.69 1wbk s GLN 7 CO 0.77 -0.03 1.60 1.03 0.01 0.00 0.00 175.29 178.67 1wbk s ARG 8 N -3.74 4.10 -1.31 2.91 0.52 -1.26 -4.87 118.95 115.30 1wbk s ARG 8 Ca 0.34 2.61 -0.18 0.00 -0.52 0.00 0.00 55.73 57.98 1wbk s ARG 8 Cb 0.07 -3.01 0.05 0.00 0.52 0.00 0.00 34.95 32.57 1wbk s ARG 8 CO 0.16 -0.65 1.87 -0.35 0.02 0.00 0.00 175.30 176.35 1wbk n PRO 9 N 1.98 2.96 -3.37 3.54 -0.04 -1.26 -4.96 135.00 133.85 1wbk n PRO 9 Ca 0.08 -3.03 -0.38 0.00 -0.04 0.00 0.00 63.50 60.12 1wbk n PRO 9 Cb 0.37 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 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 4.22 4.46 0.14 1.53 1.43 -1.26 -1.44 118.68 127.76 1wbk s LEU 10 Ca 0.54 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1wbk s LEU 10 Cb 0.06 -2.74 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1wbk s LEU 10 CO 0.05 0.24 0.03 0.68 0.23 0.00 0.00 176.35 177.57 1wbk s VAL 11 N -0.73 0.33 -0.10 -1.59 -7.23 0.70 -4.94 120.40 106.85 1wbk s VAL 11 Ca 0.26 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 1wbk s VAL 11 Cb -0.18 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 1wbk s VAL 11 CO 0.15 -0.49 0.41 -0.89 -0.31 0.00 0.00 175.10 173.97 1wbk s THR 12 N -3.89 5.18 0.19 5.32 2.01 -1.26 -0.33 115.64 122.86 1wbk s THR 12 Ca 0.23 0.81 0.09 0.00 0.31 0.00 0.00 61.69 63.13 1wbk s THR 12 Cb 0.07 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1wbk s THR 12 CO 0.02 0.41 -0.18 0.27 -0.69 0.00 0.00 174.62 174.45 1wbk s ILE 13 N 0.11 1.93 -0.15 1.82 -4.36 0.64 -3.32 121.20 117.87 1wbk s ILE 13 Ca 0.23 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.56 1wbk s ILE 13 Cb -0.15 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.61 1wbk s ILE 13 CO 0.09 -0.38 -0.14 -0.75 0.24 0.00 0.00 174.94 174.00 1wbk s LYS 14 N -3.09 2.28 -0.08 0.37 2.20 -0.50 -0.84 119.74 120.08 1wbk s LYS 14 Ca 0.20 -0.55 -0.04 0.00 -0.36 0.00 0.00 55.97 55.22 1wbk s LYS 14 Cb -0.05 -2.09 0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1wbk s LYS 14 CO 0.08 -0.23 0.18 -1.50 -0.36 0.00 0.00 175.35 173.51 1wbk s ILE 15 N 1.48 -0.05 -1.69 5.43 2.07 -0.04 -1.68 121.20 126.73 1wbk s ILE 15 Ca 0.05 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.45 1wbk s ILE 15 Cb -0.13 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1wbk s ILE 15 CO -0.11 0.07 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 1wbk n GLY 16 N 4.18 -0.13 2.27 1.50 0.00 -1.26 -1.08 105.19 110.68 1wbk n GLY 16 Ca -0.26 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.97 0.46 3.57 -0.02 0.00 -1.26 -5.02 105.19 101.95 1wbk n GLY 17 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.32 2.43 -0.22 1.61 -0.21 -0.24 -5.11 119.66 117.60 1wbk s GLN 18 Ca 0.00 -0.79 -0.10 0.00 0.02 0.00 0.00 55.36 54.49 1wbk s GLN 18 Cb 0.00 -2.43 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 1wbk s GLN 18 CO 0.00 0.58 0.15 -0.51 -2.12 0.00 0.00 175.29 173.39 1wbk s LEU 19 N -1.47 4.15 0.12 2.90 1.43 -1.26 -0.86 118.68 123.68 1wbk s LEU 19 Ca 0.17 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1wbk s LEU 19 Cb -0.11 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1wbk s LEU 19 CO 0.08 0.11 -0.04 -0.54 0.23 0.00 0.00 176.35 176.19 1wbk s LYS 20 N 0.76 0.92 -0.16 1.70 1.02 -0.02 -4.97 119.74 118.98 1wbk s LYS 20 Ca 0.08 -1.40 -0.08 0.00 0.02 0.00 0.00 55.97 54.58 1wbk s LYS 20 Cb -0.12 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 36.96 1wbk s LYS 20 CO 0.02 -0.07 0.12 -2.00 -0.92 0.00 0.00 175.35 172.49 1wbk s GLU 21 N -3.88 3.83 0.03 1.68 2.12 -1.26 -0.26 118.70 120.96 1wbk s GLU 21 Ca 0.16 -0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.25 1wbk s GLU 21 Cb 0.06 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1wbk s GLU 21 CO -0.02 0.49 0.02 0.00 -0.54 0.00 0.00 175.26 175.22 1wbk s ALA 22 N -0.21 0.12 -0.15 6.30 0.00 0.55 -4.46 121.76 123.90 1wbk s ALA 22 Ca 0.10 -0.69 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 1wbk s ALA 22 Cb -0.12 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1wbk s ALA 22 CO 0.01 -0.26 0.32 -1.17 0.00 0.00 0.00 175.76 174.66 1wbk s LEU 23 N -2.01 4.25 -0.47 0.00 2.96 -0.47 -0.21 118.68 122.72 1wbk s LEU 23 Ca -0.07 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.11 1wbk s LEU 23 Cb -0.03 -2.43 0.03 0.00 0.50 0.00 0.00 46.19 44.26 1wbk s LEU 23 CO -0.04 0.08 1.20 -0.76 -1.32 0.00 0.00 176.35 175.51 1wbk s LEU 24 N 0.51 3.61 -0.36 -0.68 1.43 -0.52 -0.65 118.68 122.02 1wbk s LEU 24 Ca 0.18 0.51 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 1wbk s LEU 24 Cb -0.13 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.67 1wbk s LEU 24 CO 0.05 -1.31 0.07 -0.62 0.23 0.00 0.00 176.35 174.77 1wbk s ASP 25 N 2.81 4.72 0.16 2.29 -1.08 -0.43 -4.80 116.67 120.35 1wbk s ASP 25 Ca 0.50 -2.23 0.18 0.00 -0.52 0.00 0.00 52.55 50.48 1wbk s ASP 25 Cb -0.08 -1.63 0.80 0.00 -1.46 0.00 0.00 42.92 40.56 1wbk s ASP 25 CO 0.32 -0.37 1.56 0.35 0.52 0.00 0.00 175.17 177.55 1wbk n THR 26 N 4.15 1.02 1.12 1.71 -2.24 -1.26 -1.89 114.28 116.88 1wbk n THR 26 Ca 0.04 0.33 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 1wbk n THR 26 Cb 0.41 -1.22 0.42 0.00 -2.10 0.00 0.00 70.33 67.85 1wbk n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbk n GLY 27 N -0.31 -1.16 3.66 3.38 0.00 -1.26 -4.81 105.19 104.70 1wbk n GLY 27 Ca 0.02 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.82 3.60 0.11 4.61 0.00 -0.79 -4.99 121.76 121.48 1wbk s ALA 28 Ca 0.17 -0.83 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 1wbk s ALA 28 Cb 0.19 -2.37 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1wbk s ALA 28 CO 0.59 -0.21 1.49 -0.44 0.00 0.00 0.00 175.76 177.19 1wbk h ASP 29 N 7.49 0.71 -1.72 0.00 3.32 -1.87 0.63 116.42 124.97 1wbk h ASP 29 Ca -0.38 -0.39 -0.61 0.00 0.02 0.00 0.00 57.03 55.67 1wbk h ASP 29 Cb 1.17 -0.19 -0.13 0.00 0.22 0.00 0.00 39.33 40.39 1wbk h ASP 29 CO 0.67 0.94 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.73 1wbk s ASP 30 N -6.36 3.66 -0.05 6.45 1.01 -1.26 -2.19 116.67 117.93 1wbk s ASP 30 Ca -0.13 -1.43 -0.18 0.00 0.71 0.00 0.00 52.55 51.52 1wbk s ASP 30 Cb 0.09 -0.16 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 1wbk s ASP 30 CO 0.81 -0.56 0.49 -0.89 0.21 0.00 0.00 175.17 175.23 1wbk s THR 31 N -2.84 5.06 -0.04 -1.27 2.01 -1.26 -3.49 115.64 113.80 1wbk s THR 31 Ca 0.30 1.01 0.01 0.00 0.31 0.00 0.00 61.69 63.31 1wbk s THR 31 Cb 0.08 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.79 1wbk s THR 31 CO 0.15 0.42 -0.02 0.54 -0.69 0.00 0.00 174.62 175.01 1wbk s VAL 32 N -0.06 0.39 0.16 3.82 0.11 -0.58 -0.51 120.40 123.72 1wbk s VAL 32 Ca 0.27 -0.02 0.11 0.00 -2.93 0.00 0.00 61.98 59.41 1wbk s VAL 32 Cb -0.16 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1wbk s VAL 32 CO 0.13 0.20 -0.26 -0.76 -3.33 0.00 0.00 175.10 171.09 1wbk s LEU 33 N 1.08 2.37 0.88 2.54 1.43 0.85 -0.71 118.68 127.11 1wbk s LEU 33 Ca -0.09 -0.80 -0.10 0.00 -1.03 0.00 0.00 54.13 52.11 1wbk s LEU 33 Cb -0.14 -1.19 0.12 0.00 0.03 0.00 0.00 46.19 45.02 1wbk s LEU 33 CO -0.01 0.15 1.12 -1.83 0.23 0.00 0.00 176.35 176.01 1wbk s GLU 34 N -2.33 1.35 -0.13 1.70 -1.05 -1.26 -1.40 118.70 115.59 1wbk s GLU 34 Ca 0.17 1.39 -0.37 0.00 -0.15 0.00 0.00 54.97 56.01 1wbk s GLU 34 Cb -0.09 -1.78 -0.18 0.00 -0.44 0.00 0.00 34.13 31.64 1wbk s GLU 34 CO 0.08 -2.35 1.08 0.39 0.95 0.00 0.00 175.26 175.41 1wbk n GLU 35 N -4.03 0.00 -3.68 -4.83 -0.58 -1.20 -4.58 120.64 101.74 1wbk n GLU 35 Ca 0.11 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.80 1wbk n GLU 35 Cb 0.52 -1.33 -0.02 0.00 -0.57 0.00 0.00 31.44 30.05 1wbk n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wbk s MET 36 N 0.75 1.10 -0.19 3.49 0.23 -1.26 -5.03 119.30 118.39 1wbk s MET 36 Ca 0.84 -0.57 -0.10 0.00 -1.03 0.00 0.00 55.69 54.84 1wbk s MET 36 Cb -1.19 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 32.47 1wbk s MET 36 CO 0.57 -0.50 0.14 0.45 -2.03 0.00 0.00 175.02 173.64 1wbk s SER 37 N -2.82 6.23 0.07 -1.18 0.15 -1.26 -5.05 113.70 109.84 1wbk s SER 37 Ca 0.10 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.06 1wbk s SER 37 Cb -0.01 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1wbk s SER 37 CO -0.01 0.20 -0.15 -0.76 1.20 0.00 0.00 173.24 173.72 1wbk s LEU 38 N 0.25 2.27 0.58 3.45 1.43 -1.26 -5.03 118.68 120.37 1wbk s LEU 38 Ca 0.09 -0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1wbk s LEU 38 Cb -0.11 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1wbk s LEU 38 CO -0.01 -0.06 1.03 -2.16 0.23 0.00 0.00 176.35 175.37 1wbk s PRO 39 N -1.73 3.54 0.00 1.29 0.04 -1.26 -4.94 135.00 131.94 1wbk s PRO 39 Ca -0.01 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1wbk s PRO 39 Cb -0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1wbk s PRO 39 CO 0.02 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1wbk n GLY 40 N -1.60 0.07 3.89 0.56 0.00 -1.26 -4.98 105.19 101.87 1wbk n GLY 40 Ca 0.07 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1wbk n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wbk s ARG 41 N -1.24 3.67 0.26 1.61 3.52 -1.26 -5.10 118.95 120.40 1wbk s ARG 41 Ca 0.00 0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 1wbk s ARG 41 Cb 0.00 -2.47 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 1wbk s ARG 41 CO 0.00 0.01 0.03 1.67 -0.81 0.00 0.00 175.30 176.20 1wbk s TRP 42 N -2.37 1.64 -0.01 5.12 1.48 -1.26 -4.66 118.94 118.87 1wbk s TRP 42 Ca 0.48 -0.99 0.05 0.00 -1.06 0.00 0.00 56.10 54.57 1wbk s TRP 42 Cb -0.10 -0.98 -0.01 0.00 -1.16 0.00 0.00 33.47 31.21 1wbk s TRP 42 CO 0.34 -0.10 -0.15 0.15 -4.06 0.00 0.00 176.95 173.13 1wbk s LYS 43 N -3.91 1.27 0.37 3.25 1.02 -0.65 -4.90 119.74 116.20 1wbk s LYS 43 Ca 0.32 -0.55 -0.26 0.00 0.02 0.00 0.00 55.97 55.51 1wbk s LYS 43 Cb 0.07 -1.22 -0.09 0.00 -0.52 0.00 0.00 37.83 36.07 1wbk s LYS 43 CO 0.11 0.32 1.13 -1.25 -0.92 0.00 0.00 175.35 174.74 1wbk s PRO 44 N -0.32 4.21 0.05 -1.68 0.04 -1.26 -0.10 135.00 135.93 1wbk s PRO 44 Ca 0.05 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 1wbk s PRO 44 Cb -0.06 -2.75 0.03 0.00 0.04 0.00 0.00 34.50 31.75 1wbk s PRO 44 CO -0.00 -0.16 0.36 0.21 0.04 0.00 0.00 177.00 177.44 1wbk s LYS 45 N -2.17 0.87 -0.13 4.56 2.20 -0.69 -4.88 119.74 119.51 1wbk s LYS 45 Ca 0.55 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1wbk s LYS 45 Cb -0.29 0.38 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1wbk s LYS 45 CO 0.37 -0.29 -0.20 1.41 -0.36 0.00 0.00 175.35 176.27 1wbk s MET 46 N -2.60 3.09 0.01 4.03 -2.45 -1.26 -1.04 119.30 119.07 1wbk s MET 46 Ca -0.05 -0.83 0.08 0.00 -1.25 0.00 0.00 55.69 53.65 1wbk s MET 46 Cb -0.01 -2.46 -0.02 0.00 1.25 0.00 0.00 34.83 33.59 1wbk s MET 46 CO -0.03 0.05 -0.25 0.96 1.05 0.00 0.00 175.02 176.79 1wbk s ILE 47 N 0.69 1.97 0.03 10.11 -4.36 -0.84 -4.96 121.20 123.84 1wbk s ILE 47 Ca -0.09 -1.20 0.08 0.00 -0.26 0.00 0.00 60.65 59.18 1wbk s ILE 47 Cb -0.16 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 1wbk s ILE 47 CO 0.01 0.43 -0.24 -0.83 0.24 0.00 0.00 174.94 174.55 1wbk s GLY 48 N -0.92 1.41 0.00 6.27 0.00 -1.26 -1.51 107.32 111.31 1wbk s GLY 48 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1wbk s GLY 48 CO 0.01 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.64 1wbk n GLY 49 N 1.91 4.74 3.71 0.20 0.00 -0.53 -4.98 105.19 110.24 1wbk n GLY 49 Ca -0.17 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1wbk n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbk s ILE 50 N 0.04 3.48 0.00 -0.61 1.09 -1.26 -2.40 121.20 121.54 1wbk s ILE 50 Ca 0.00 1.04 0.00 0.00 -1.10 0.00 0.00 60.65 60.59 1wbk s ILE 50 Cb 0.00 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 1wbk s ILE 50 CO 0.00 0.07 0.00 0.61 -0.10 0.00 0.00 174.94 175.52 1wbk n GLY 51 N 3.48 2.89 0.00 6.18 0.00 -1.26 -4.97 105.19 111.51 1wbk n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.78 0.71 3.85 -0.02 0.00 -1.01 -5.10 105.19 102.85 1wbk n GLY 52 Ca 0.00 -2.08 -0.26 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.38 3.26 0.06 1.61 0.40 -1.26 -1.46 117.98 119.21 1wbk s PHE 53 Ca 0.00 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1wbk s PHE 53 Cb 0.00 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 1wbk s PHE 53 CO 0.00 0.52 -0.08 0.96 0.70 0.00 0.00 175.22 177.32 1wbk s ILE 54 N -1.79 0.62 -0.11 0.64 -4.36 -0.57 -4.97 121.20 110.66 1wbk s ILE 54 Ca 0.32 -1.31 -0.16 0.00 -0.26 0.00 0.00 60.65 59.24 1wbk s ILE 54 Cb -0.10 -0.91 -0.05 0.00 1.25 0.00 0.00 42.46 42.65 1wbk s ILE 54 CO 0.25 -0.50 0.39 -0.75 0.24 0.00 0.00 174.94 174.58 1wbk s LYS 55 N -2.16 4.21 0.23 0.37 2.20 -1.26 -1.98 119.74 121.35 1wbk s LYS 55 Ca -0.04 0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.90 1wbk s LYS 55 Cb -0.06 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.82 1wbk s LYS 55 CO -0.01 0.31 0.03 0.14 -0.36 0.00 0.00 175.35 175.46 1wbk s VAL 56 N 0.18 0.84 -0.18 4.02 -7.23 -0.21 -4.41 120.40 113.41 1wbk s VAL 56 Ca 0.22 -2.01 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 1wbk s VAL 56 Cb -0.15 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1wbk s VAL 56 CO 0.09 -0.25 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.49 1wbk s ARG 57 N -3.92 3.71 -0.25 4.82 0.52 0.44 -1.70 118.95 122.56 1wbk s ARG 57 Ca 0.30 -0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 54.88 1wbk s ARG 57 Cb 0.07 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.46 1wbk s ARG 57 CO 0.09 0.16 0.39 -1.14 0.02 0.00 0.00 175.30 174.82 1wbk s GLN 58 N 0.62 4.07 -0.05 3.54 0.74 0.86 -0.99 119.66 128.44 1wbk s GLN 58 Ca -0.01 0.11 0.04 0.00 0.05 0.00 0.00 55.36 55.55 1wbk s GLN 58 Cb -0.14 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 1wbk s GLN 58 CO 0.02 -0.21 -0.15 0.71 -0.55 0.00 0.00 175.29 175.11 1wbk s TYR 59 N 1.87 2.70 0.36 1.67 1.51 -0.10 -1.64 117.35 123.71 1wbk s TYR 59 Ca 0.17 -0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.10 1wbk s TYR 59 Cb -0.15 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1wbk s TYR 59 CO 0.09 0.15 0.18 -0.51 -1.11 0.00 0.00 175.55 174.35 1wbk s ASP 60 N -0.65 4.74 -1.48 2.29 1.01 -1.26 -0.90 116.67 120.41 1wbk s ASP 60 Ca 0.10 -0.78 -0.10 0.00 0.71 0.00 0.00 52.55 52.47 1wbk s ASP 60 Cb -0.11 -0.71 0.06 0.00 1.01 0.00 0.00 42.92 43.18 1wbk s ASP 60 CO 0.01 -0.36 0.86 0.00 0.21 0.00 0.00 175.17 175.89 1wbk n GLN 61 N -1.22 -5.06 -3.61 8.23 3.00 -1.24 -4.93 117.38 112.56 1wbk n GLN 61 Ca -0.02 0.57 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 1wbk n GLN 61 Cb 0.62 -5.32 -0.06 0.00 0.00 0.00 0.00 30.24 25.47 1wbk n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1wbk s ILE 62 N -3.44 5.28 -0.05 5.09 -1.09 -0.48 -4.81 121.20 121.70 1wbk s ILE 62 Ca 0.46 0.55 -0.17 0.00 -2.23 0.00 0.00 60.65 59.26 1wbk s ILE 62 Cb -0.23 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 1wbk s ILE 62 CO 0.84 0.50 0.46 -0.22 -1.23 0.00 0.00 174.94 175.29 1wbk s LEU 63 N -0.36 4.38 -0.02 2.97 2.96 -1.26 -1.51 118.68 125.85 1wbk s LEU 63 Ca 0.18 0.92 -0.03 0.00 -0.22 0.00 0.00 54.13 54.98 1wbk s LEU 63 Cb -0.14 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1wbk s LEU 63 CO 0.07 0.16 0.06 -0.63 -1.32 0.00 0.00 176.35 174.69 1wbk s ILE 64 N -0.26 0.03 -0.22 6.68 1.01 0.25 -4.60 121.20 124.09 1wbk s ILE 64 Ca 0.25 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1wbk s ILE 64 Cb -0.16 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 1wbk s ILE 64 CO 0.12 -0.12 -0.01 -1.61 0.00 0.00 0.00 174.94 173.32 1wbk s GLU 65 N -0.37 3.50 -0.28 2.79 2.02 -0.68 -0.48 118.70 125.21 1wbk s GLU 65 Ca -0.04 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.39 1wbk s GLU 65 Cb -0.03 -3.10 0.06 0.00 0.10 0.00 0.00 34.13 31.16 1wbk s GLU 65 CO 0.00 -0.14 -0.06 0.42 0.02 0.00 0.00 175.26 175.50 1wbk s ILE 66 N 1.39 2.51 -1.46 -1.63 1.01 0.51 -1.40 121.20 122.11 1wbk s ILE 66 Ca 0.05 -1.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.07 1wbk s ILE 66 Cb -0.15 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.89 1wbk s ILE 66 CO -0.00 -0.07 0.78 0.00 0.00 0.00 0.00 174.94 175.65 1wbk n GLY 68 N -1.60 1.50 3.67 0.00 0.00 -1.26 -5.03 105.19 102.47 1wbk n GLY 68 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.60 3.35 0.21 1.61 4.02 -0.38 -5.07 115.29 116.42 1wbk s HIS 69 Ca 0.00 0.39 -0.29 0.00 1.02 0.00 0.00 55.06 56.18 1wbk s HIS 69 Cb 0.00 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.58 29.11 1wbk s HIS 69 CO 0.00 0.05 0.89 0.15 1.02 0.00 0.00 174.74 176.86 1wbk s LYS 70 N 1.10 4.77 -0.07 1.40 1.02 -1.26 -0.37 119.74 126.34 1wbk s LYS 70 Ca 0.12 1.39 -0.09 0.00 0.02 0.00 0.00 55.97 57.42 1wbk s LYS 70 Cb -0.14 -3.28 0.02 0.00 -0.52 0.00 0.00 37.83 33.91 1wbk s LYS 70 CO 0.05 0.52 0.23 0.00 -0.92 0.00 0.00 175.35 175.23 1wbk s ALA 71 N -1.10 -0.58 -0.05 5.17 0.00 0.37 -4.86 121.76 120.71 1wbk s ALA 71 Ca 0.40 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1wbk s ALA 71 Cb -0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1wbk s ALA 71 CO 0.30 -0.14 -0.20 0.42 0.00 0.00 0.00 175.76 176.14 1wbk s ILE 72 N -0.25 2.51 -0.84 0.00 1.09 -1.26 -0.58 121.20 121.86 1wbk s ILE 72 Ca -0.04 -0.92 0.00 0.00 -1.10 0.00 0.00 60.65 58.60 1wbk s ILE 72 Cb -0.03 -1.94 0.00 0.00 -1.06 0.00 0.00 42.46 39.43 1wbk s ILE 72 CO 0.01 0.58 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 1wbk n GLY 73 N 2.66 -1.34 3.74 6.18 0.00 -0.57 -4.92 105.19 110.95 1wbk n GLY 73 Ca -0.17 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.41 3.86 -0.06 2.61 2.01 -1.26 -1.38 115.64 119.00 1wbk s THR 74 Ca 0.00 1.71 0.02 0.00 0.31 0.00 0.00 61.69 63.72 1wbk s THR 74 Cb 0.00 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.44 1wbk s THR 74 CO 0.00 0.34 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.48 1wbk s VAL 75 N -0.63 0.97 -0.10 3.82 1.01 -0.08 -4.23 120.40 121.16 1wbk s VAL 75 Ca 0.46 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 1wbk s VAL 75 Cb -0.29 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1wbk s VAL 75 CO 0.36 0.32 0.06 -0.76 0.00 0.00 0.00 175.10 175.08 1wbk s LEU 76 N 0.80 3.93 -0.10 3.92 1.43 0.33 -0.92 118.68 128.06 1wbk s LEU 76 Ca -0.12 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 1wbk s LEU 76 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1wbk s LEU 76 CO 0.02 0.39 -0.21 -0.69 0.23 0.00 0.00 176.35 176.09 1wbk s VAL 77 N -0.91 1.85 -0.02 -1.59 1.01 -0.16 -0.10 120.40 120.47 1wbk s VAL 77 Ca 0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 1wbk s VAL 77 Cb -0.12 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.68 1wbk s VAL 77 CO 0.03 0.51 0.49 0.61 0.00 0.00 0.00 175.10 176.74 1wbk n GLY 78 N 3.70 0.38 2.48 4.51 0.00 -0.50 -0.42 105.19 115.35 1wbk n GLY 78 Ca -0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.35 1.45 -3.16 1.61 -0.04 -1.26 -3.21 135.00 130.03 1wbk n PRO 79 Ca 0.02 -0.96 -0.39 0.00 -0.04 0.00 0.00 63.50 62.13 1wbk n PRO 79 Cb 0.21 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 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 2.92 4.71 0.26 0.52 -1.32 -1.26 -4.97 115.64 116.50 1wbk s THR 80 Ca 0.34 1.37 0.33 0.00 -1.21 0.00 0.00 61.69 62.51 1wbk s THR 80 Cb 0.12 -3.98 0.35 0.00 -1.51 0.00 0.00 72.50 67.48 1wbk s THR 80 CO -0.02 0.49 2.03 1.55 -2.21 0.00 0.00 174.62 176.46 1wbk h PRO 81 N 4.96 0.00 -3.31 7.08 0.13 -1.99 -3.42 132.00 135.46 1wbk h PRO 81 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1wbk h PRO 81 Cb 1.21 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1wbk h PRO 81 CO 0.67 0.06 -0.36 0.54 -0.23 0.00 0.00 178.00 178.67 1wbk s VAL 82 N -3.84 0.08 0.18 1.56 0.11 -1.26 -5.08 120.40 112.15 1wbk s VAL 82 Ca -0.01 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.10 1wbk s VAL 82 Cb 0.11 -0.64 -0.08 0.00 -1.53 0.00 0.00 36.38 34.24 1wbk s VAL 82 CO 0.55 -0.35 1.17 0.20 -3.33 0.00 0.00 175.10 173.33 1wbk s ASN 83 N -1.55 7.14 -0.09 3.54 0.01 -1.26 -4.73 114.94 118.00 1wbk s ASN 83 Ca -0.12 2.18 0.02 0.00 -0.71 0.00 0.00 52.86 54.23 1wbk s ASN 83 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1wbk s ASN 83 CO 0.01 -0.33 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.50 1wbk s ILE 84 N -0.06 1.35 -0.36 0.60 1.01 0.11 -1.37 121.20 122.48 1wbk s ILE 84 Ca 0.52 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 1wbk s ILE 84 Cb -0.31 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1wbk s ILE 84 CO 0.36 0.41 0.27 -0.63 0.00 0.00 0.00 174.94 175.35 1wbk s ILE 85 N 0.84 5.26 0.43 2.92 -1.09 0.17 -1.53 121.20 128.21 1wbk s ILE 85 Ca -0.10 -0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1wbk s ILE 85 Cb -0.15 -3.79 0.08 0.00 -1.58 0.00 0.00 42.46 37.01 1wbk s ILE 85 CO 0.01 -0.11 0.59 0.61 -1.23 0.00 0.00 174.94 174.81 1wbk n GLY 86 N 5.11 1.02 0.35 6.18 0.00 -1.23 -1.31 105.19 115.32 1wbk n GLY 86 Ca -0.12 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 0.50 -0.15 1.61 3.08 -0.80 -1.42 114.38 117.20 1wbk h ARG 87 Ca -0.19 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1wbk h ARG 87 Cb 0.76 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 1wbk h ARG 87 CO 0.22 0.33 0.11 -2.95 -1.07 0.00 0.00 179.97 176.62 1wbk h ASN 88 N 0.51 0.00 0.00 7.04 -1.07 -1.70 -2.23 115.58 118.13 1wbk h ASN 88 Ca 0.29 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.34 1wbk h ASN 88 Cb 0.45 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.64 1wbk h ASN 88 CO -0.09 0.00 -2.19 0.18 0.07 0.00 0.00 177.43 175.40 1wbk n LEU 89 N -4.41 0.00 -0.23 6.14 4.77 -0.90 -4.37 117.00 118.00 1wbk n LEU 89 Ca 0.01 -0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.98 1wbk n LEU 89 Cb 0.24 0.43 0.21 0.00 -2.33 0.00 0.00 43.42 41.97 1wbk n LEU 89 CO 0.34 0.43 1.21 -0.07 -1.33 0.00 0.00 177.39 177.97 1wbk h LEU 90 N 0.00 0.91 -1.08 2.23 3.38 -1.05 -2.07 115.31 117.63 1wbk h LEU 90 Ca -0.47 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1wbk h LEU 90 Cb 2.07 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 1wbk h LEU 90 CO 0.03 0.69 0.42 0.71 0.09 0.00 0.00 178.44 180.38 1wbk h THR 91 N 1.05 1.23 0.00 0.22 1.35 -1.62 -1.88 112.91 113.25 1wbk h THR 91 Ca 0.28 -0.56 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1wbk h THR 91 Cb -0.06 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 66.54 1wbk h THR 91 CO -0.05 0.25 -0.13 1.56 -0.25 0.00 0.00 175.52 176.90 1wbk h GLN 92 N 1.07 0.00 -0.38 4.72 1.08 -1.57 -1.75 115.11 118.27 1wbk h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1wbk h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1wbk h GLN 92 CO -0.04 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.40 1wbk n ILE 93 N -3.97 0.49 -2.34 2.54 -5.35 -1.04 -4.95 119.36 104.74 1wbk n ILE 93 Ca -0.02 -0.69 -0.06 0.00 -0.27 0.00 0.00 62.75 61.70 1wbk n ILE 93 Cb 0.22 0.82 0.01 0.00 -1.74 0.00 0.00 39.64 38.94 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 1.45 0.24 3.72 3.28 0.00 -0.66 -5.01 105.19 108.21 1wbk n GLY 94 Ca 0.19 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 0.30 0.70 -0.18 0.00 -4.23 -1.26 -4.69 115.64 106.27 1wbk s THR 96 Ca 0.49 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 1wbk s THR 96 Cb -0.23 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1wbk s THR 96 CO 0.30 -0.65 0.10 -0.22 -0.54 0.00 0.00 174.62 173.61 1wbk s LEU 97 N -3.12 4.07 -0.00 4.79 2.96 -1.26 -5.10 118.68 121.02 1wbk s LEU 97 Ca 0.19 0.20 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1wbk s LEU 97 Cb 0.06 -2.03 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 1wbk s LEU 97 CO 0.00 0.21 -0.04 0.20 -1.32 0.00 0.00 176.35 175.40 1wbk s ASN 98 N 0.17 0.49 0.00 3.68 -0.87 -1.26 -5.30 114.94 111.85 1wbk s ASN 98 Ca 0.07 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.29 1wbk s ASN 98 Cb -0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.05 1wbk s ASN 98 CO -0.00 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.79