#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wbm s GLN 2 N 0.00 3.23 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.60 1wbm s GLN 2 Ca 0.00 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1wbm s GLN 2 Cb 0.00 -2.52 0.01 0.00 1.10 0.00 0.00 33.01 31.60 1wbm s GLN 2 CO 0.00 0.15 -0.13 0.42 -0.55 0.00 0.00 175.29 175.18 1wbm s ILE 3 N 0.47 2.63 0.62 -2.34 1.01 -1.26 -5.11 121.20 117.22 1wbm s ILE 3 Ca -0.12 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 1wbm s ILE 3 Cb -0.16 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1wbm s ILE 3 CO 0.05 0.48 1.00 0.42 0.00 0.00 0.00 174.94 176.90 1wbm s THR 4 N 1.37 4.22 -0.26 2.92 -4.23 -1.26 -5.01 115.64 113.39 1wbm s THR 4 Ca 0.05 0.55 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 1wbm s THR 4 Cb -0.14 -3.69 0.59 0.00 1.34 0.00 0.00 72.50 70.60 1wbm s THR 4 CO -0.09 -0.86 1.56 0.18 -0.54 0.00 0.00 174.62 174.87 1wbm n LEU 5 N -2.74 4.66 0.17 4.79 4.77 -1.26 -4.51 117.00 122.88 1wbm n LEU 5 Ca 0.05 -3.30 0.03 0.00 -0.03 0.00 0.00 56.01 52.76 1wbm n LEU 5 Cb 0.56 -0.64 0.42 0.00 -2.33 0.00 0.00 43.42 41.43 1wbm n LEU 5 CO 0.57 0.88 0.85 -0.50 -1.33 0.00 0.00 177.39 177.86 1wbm h TRP 6 N 1.80 0.10 -2.83 -1.77 4.06 -2.06 -3.43 115.95 111.82 1wbm h TRP 6 Ca 0.16 -0.01 -0.47 0.00 2.06 0.00 0.00 58.89 60.62 1wbm h TRP 6 Cb 1.80 -0.03 -0.14 0.00 -1.00 0.00 0.00 29.16 29.79 1wbm h TRP 6 CO 0.90 0.31 -0.63 -0.65 -3.56 0.00 0.00 178.44 174.81 1wbm s GLN 7 N -4.55 1.60 0.32 0.49 1.11 -1.26 -5.11 119.66 112.26 1wbm s GLN 7 Ca -0.04 -1.86 -0.29 0.00 0.01 0.00 0.00 55.36 53.17 1wbm s GLN 7 Cb 0.15 -0.92 -0.11 0.00 -1.01 0.00 0.00 33.01 31.12 1wbm s GLN 7 CO 0.72 -0.13 1.56 1.03 0.01 0.00 0.00 175.29 178.48 1wbm s ARG 8 N -3.85 4.12 -1.33 2.91 0.52 -1.26 -4.86 118.95 115.20 1wbm s ARG 8 Ca 0.34 2.57 -0.17 0.00 -0.52 0.00 0.00 55.73 57.95 1wbm s ARG 8 Cb 0.07 -3.01 0.07 0.00 0.52 0.00 0.00 34.95 32.60 1wbm s ARG 8 CO 0.14 -0.60 1.82 -0.35 0.02 0.00 0.00 175.30 176.33 1wbm n PRO 9 N 1.64 3.14 -3.58 3.54 -0.04 -1.26 -4.96 135.00 133.48 1wbm n PRO 9 Ca 0.06 -3.17 -0.37 0.00 -0.04 0.00 0.00 63.50 59.98 1wbm n PRO 9 Cb 0.38 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.32 1wbm n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wbm s LEU 10 N 3.86 4.45 0.13 1.53 1.43 -1.26 -1.42 118.68 127.39 1wbm s LEU 10 Ca 0.53 0.85 -0.01 0.00 -1.03 0.00 0.00 54.13 54.47 1wbm s LEU 10 Cb 0.06 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 1wbm s LEU 10 CO 0.05 0.32 0.05 0.68 0.23 0.00 0.00 176.35 177.69 1wbm s VAL 11 N -1.11 0.11 -0.03 -1.59 -7.23 0.16 -4.93 120.40 105.77 1wbm s VAL 11 Ca 0.23 -1.90 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 1wbm s VAL 11 Cb -0.16 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 1wbm s VAL 11 CO 0.12 -0.50 0.53 -0.89 -0.31 0.00 0.00 175.10 174.06 1wbm s THR 12 N -4.04 5.00 0.20 5.32 2.01 -1.26 -0.41 115.64 122.47 1wbm s THR 12 Ca 0.23 1.10 0.09 0.00 0.31 0.00 0.00 61.69 63.42 1wbm s THR 12 Cb 0.07 -3.86 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 1wbm s THR 12 CO 0.01 0.42 -0.16 0.27 -0.69 0.00 0.00 174.62 174.47 1wbm s ILE 13 N -0.12 1.88 -0.14 1.82 -4.36 0.72 -3.07 121.20 117.93 1wbm s ILE 13 Ca 0.28 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1wbm s ILE 13 Cb -0.17 -2.02 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1wbm s ILE 13 CO 0.15 -0.48 -0.15 -0.75 0.24 0.00 0.00 174.94 173.95 1wbm s LYS 14 N -3.37 2.29 -0.10 0.37 2.20 -0.27 -0.92 119.74 119.95 1wbm s LYS 14 Ca 0.22 -0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1wbm s LYS 14 Cb -0.03 -2.05 0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1wbm s LYS 14 CO 0.08 -0.19 0.24 -1.50 -0.36 0.00 0.00 175.35 173.63 1wbm s ILE 15 N 1.34 -0.05 -1.37 5.43 2.07 -0.08 -1.17 121.20 127.37 1wbm s ILE 15 Ca 0.02 0.15 -0.09 0.00 -1.41 0.00 0.00 60.65 59.32 1wbm s ILE 15 Cb -0.13 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.10 1wbm s ILE 15 CO -0.08 0.06 1.17 0.61 -1.91 0.00 0.00 174.94 174.79 1wbm n GLY 16 N 4.25 -0.55 4.00 1.50 0.00 -1.26 -1.08 105.19 112.06 1wbm n GLY 16 Ca -0.25 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wbm n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbm n GLY 17 N -1.99 0.85 3.87 -0.02 0.00 -1.26 -4.95 105.19 101.68 1wbm n GLY 17 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1wbm n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wbm s GLN 18 N -0.24 3.75 -0.15 1.61 -0.21 -0.24 -5.08 119.66 119.10 1wbm s GLN 18 Ca 0.00 0.17 -0.07 0.00 0.02 0.00 0.00 55.36 55.48 1wbm s GLN 18 Cb 0.00 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 1wbm s GLN 18 CO 0.00 0.59 0.11 -0.51 -2.12 0.00 0.00 175.29 173.35 1wbm s LEU 19 N -1.79 4.15 0.20 2.90 1.43 -1.26 -0.90 118.68 123.41 1wbm s LEU 19 Ca 0.31 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.65 1wbm s LEU 19 Cb -0.14 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1wbm s LEU 19 CO 0.17 0.31 0.28 -0.54 0.23 0.00 0.00 176.35 176.80 1wbm s LYS 20 N -0.43 1.27 -0.14 1.70 1.02 -0.09 -4.98 119.74 118.08 1wbm s LYS 20 Ca 0.11 -1.34 -0.05 0.00 0.02 0.00 0.00 55.97 54.71 1wbm s LYS 20 Cb -0.12 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1wbm s LYS 20 CO 0.02 -0.47 0.02 -2.00 -0.92 0.00 0.00 175.35 172.00 1wbm s GLU 21 N -4.04 3.55 0.04 1.68 2.12 -1.26 -0.20 118.70 120.58 1wbm s GLU 21 Ca 0.25 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.17 1wbm s GLU 21 Cb 0.03 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.41 1wbm s GLU 21 CO 0.06 0.43 -0.01 0.00 -0.54 0.00 0.00 175.26 175.20 1wbm s ALA 22 N -0.11 0.26 -0.13 6.30 0.00 0.45 -4.44 121.76 124.10 1wbm s ALA 22 Ca 0.05 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 1wbm s ALA 22 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1wbm s ALA 22 CO 0.02 -0.27 0.51 -1.17 0.00 0.00 0.00 175.76 174.85 1wbm s LEU 23 N -2.18 4.25 -0.51 0.00 2.96 0.02 -0.67 118.68 122.56 1wbm s LEU 23 Ca -0.05 0.83 -0.27 0.00 -0.22 0.00 0.00 54.13 54.42 1wbm s LEU 23 Cb -0.01 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.97 1wbm s LEU 23 CO -0.05 -0.05 1.07 -0.76 -1.32 0.00 0.00 176.35 175.24 1wbm s LEU 24 N 0.87 3.74 -0.36 -0.68 1.43 -0.51 -0.17 118.68 123.01 1wbm s LEU 24 Ca 0.27 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1wbm s LEU 24 Cb -0.15 -3.29 0.10 0.00 0.03 0.00 0.00 46.19 42.88 1wbm s LEU 24 CO 0.11 -1.25 0.07 -0.62 0.23 0.00 0.00 176.35 174.89 1wbm s ASP 25 N 2.57 4.74 0.29 2.29 -1.08 -0.43 -4.78 116.67 120.27 1wbm s ASP 25 Ca 0.42 -2.24 0.23 0.00 -0.52 0.00 0.00 52.55 50.44 1wbm s ASP 25 Cb -0.09 -1.64 1.05 0.00 -1.46 0.00 0.00 42.92 40.79 1wbm s ASP 25 CO 0.28 -0.37 1.71 0.35 0.52 0.00 0.00 175.17 177.65 1wbm n THR 26 N 4.15 0.88 1.39 1.71 -2.24 -1.26 -1.82 114.28 117.08 1wbm n THR 26 Ca 0.04 0.38 0.14 0.00 -2.27 0.00 0.00 64.05 62.34 1wbm n THR 26 Cb 0.41 -1.34 0.46 0.00 -2.10 0.00 0.00 70.33 67.76 1wbm n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wbm n GLY 27 N -0.39 -0.29 3.55 3.38 0.00 -1.26 -4.82 105.19 105.36 1wbm n GLY 27 Ca 0.01 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 1wbm n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbm s ALA 28 N -2.23 3.35 0.14 4.61 0.00 -0.76 -4.99 121.76 121.88 1wbm s ALA 28 Ca 0.32 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.15 1wbm s ALA 28 Cb 0.20 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1wbm s ALA 28 CO 0.42 -0.32 1.51 -0.44 0.00 0.00 0.00 175.76 176.93 1wbm h ASP 29 N 7.85 0.91 -0.46 0.00 3.32 -1.87 0.61 116.42 126.78 1wbm h ASP 29 Ca -0.37 -0.41 -0.64 0.00 0.02 0.00 0.00 57.03 55.64 1wbm h ASP 29 Cb 1.18 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.38 1wbm h ASP 29 CO 0.61 1.12 -0.42 -1.81 -1.72 0.00 0.00 179.24 177.01 1wbm s ASP 30 N -6.61 4.36 -0.16 6.45 1.01 -1.26 -3.01 116.67 117.45 1wbm s ASP 30 Ca -0.12 -1.46 -0.04 0.00 0.71 0.00 0.00 52.55 51.64 1wbm s ASP 30 Cb 0.11 0.47 -0.03 0.00 1.01 0.00 0.00 42.92 44.48 1wbm s ASP 30 CO 0.85 -0.96 -0.03 -0.89 0.21 0.00 0.00 175.17 174.35 1wbm s THR 31 N -2.83 3.95 -0.04 -1.27 2.01 -1.26 -3.05 115.64 113.16 1wbm s THR 31 Ca 0.19 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1wbm s THR 31 Cb -0.00 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1wbm s THR 31 CO 0.11 0.48 -0.06 0.54 -0.69 0.00 0.00 174.62 175.01 1wbm s VAL 32 N 0.46 0.60 0.15 3.82 0.11 -0.70 -0.76 120.40 124.09 1wbm s VAL 32 Ca -0.03 -0.20 0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1wbm s VAL 32 Cb -0.14 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1wbm s VAL 32 CO 0.03 0.22 -0.25 -0.76 -3.33 0.00 0.00 175.10 171.01 1wbm s LEU 33 N 0.66 2.37 0.97 2.54 1.43 0.49 -0.56 118.68 126.58 1wbm s LEU 33 Ca -0.09 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1wbm s LEU 33 Cb -0.12 -1.14 0.14 0.00 0.03 0.00 0.00 46.19 45.10 1wbm s LEU 33 CO 0.01 0.13 0.91 -1.84 0.23 0.00 0.00 176.35 175.79 1wbm n GLU 34 N 0.63 -0.73 -1.66 1.70 0.28 -1.26 -1.66 120.64 117.94 1wbm n GLU 34 Ca -0.16 -0.16 -0.59 0.00 -0.16 0.00 0.00 57.16 56.10 1wbm n GLU 34 Cb 0.54 -2.20 -0.08 0.00 1.43 0.00 0.00 31.44 31.13 1wbm n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wbm n GLU 35 N -3.68 0.74 -3.79 3.44 -0.58 -1.11 -4.52 120.64 111.14 1wbm n GLU 35 Ca 0.09 0.27 -0.07 0.00 -0.42 0.00 0.00 57.16 57.03 1wbm n GLU 35 Cb 0.53 -1.88 -0.02 0.00 -0.57 0.00 0.00 31.44 29.50 1wbm n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wbm s MET 36 N 2.24 1.68 -0.15 3.49 0.23 -1.26 -5.03 119.30 120.51 1wbm s MET 36 Ca 0.96 -0.90 -0.13 0.00 -1.03 0.00 0.00 55.69 54.59 1wbm s MET 36 Cb -1.17 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 32.68 1wbm s MET 36 CO 0.64 -0.77 0.27 0.45 -2.03 0.00 0.00 175.02 173.58 1wbm s SER 37 N -2.90 6.44 0.08 -1.18 0.15 -1.26 -5.05 113.70 109.99 1wbm s SER 37 Ca 0.10 0.51 0.04 0.00 0.70 0.00 0.00 55.95 57.30 1wbm s SER 37 Cb -0.05 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1wbm s SER 37 CO 0.04 0.16 -0.11 -0.76 1.20 0.00 0.00 173.24 173.77 1wbm s LEU 38 N 0.18 2.35 0.57 3.45 1.43 -1.26 -5.02 118.68 120.38 1wbm s LEU 38 Ca 0.16 -0.73 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1wbm s LEU 38 Cb -0.13 -0.34 -0.04 0.00 0.03 0.00 0.00 46.19 45.72 1wbm s LEU 38 CO 0.04 -0.21 0.94 -2.16 0.23 0.00 0.00 176.35 175.20 1wbm s PRO 39 N -2.35 3.56 0.06 1.29 0.04 -1.26 -4.97 135.00 131.36 1wbm s PRO 39 Ca 0.01 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1wbm s PRO 39 Cb -0.06 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1wbm s PRO 39 CO 0.01 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1wbm n GLY 40 N -2.58 -3.30 3.88 0.56 0.00 -1.26 -4.97 105.19 97.52 1wbm n GLY 40 Ca 0.04 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.89 1wbm n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wbm s ARG 41 N -0.86 3.74 0.17 1.61 3.00 -1.26 -5.10 118.95 120.25 1wbm s ARG 41 Ca 0.00 0.26 0.04 0.00 -1.00 0.00 0.00 55.73 55.03 1wbm s ARG 41 Cb 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 34.95 32.36 1wbm s ARG 41 CO 0.00 0.15 -0.06 1.67 0.00 0.00 0.00 175.30 177.06 1wbm s TRP 42 N -2.12 1.34 0.03 5.12 1.48 -1.26 -4.64 118.94 118.89 1wbm s TRP 42 Ca 0.48 -0.83 0.07 0.00 -1.06 0.00 0.00 56.10 54.76 1wbm s TRP 42 Cb -0.11 -0.72 -0.02 0.00 -1.16 0.00 0.00 33.47 31.46 1wbm s TRP 42 CO 0.28 0.02 -0.22 0.15 -4.06 0.00 0.00 176.95 173.11 1wbm s LYS 43 N -3.80 1.54 0.39 3.25 1.02 -0.36 -4.89 119.74 116.89 1wbm s LYS 43 Ca 0.21 -0.93 -0.25 0.00 0.02 0.00 0.00 55.97 55.02 1wbm s LYS 43 Cb 0.04 -1.63 -0.09 0.00 -0.52 0.00 0.00 37.83 35.63 1wbm s LYS 43 CO 0.03 0.42 1.06 -1.25 -0.92 0.00 0.00 175.35 174.69 1wbm s PRO 44 N -1.04 4.21 0.02 -1.68 0.04 -1.26 -0.03 135.00 135.26 1wbm s PRO 44 Ca 0.08 1.55 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 1wbm s PRO 44 Cb -0.09 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1wbm s PRO 44 CO 0.01 -0.11 0.26 0.21 0.04 0.00 0.00 177.00 177.41 1wbm s LYS 45 N -2.38 0.71 -0.13 4.56 2.20 -0.56 -4.87 119.74 119.28 1wbm s LYS 45 Ca 0.56 -0.44 0.02 0.00 -0.36 0.00 0.00 55.97 55.75 1wbm s LYS 45 Cb -0.23 0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1wbm s LYS 45 CO 0.29 -0.21 -0.19 1.41 -0.36 0.00 0.00 175.35 176.29 1wbm s MET 46 N -2.11 3.16 -0.02 4.03 -2.45 -1.26 -0.49 119.30 120.16 1wbm s MET 46 Ca -0.08 -0.80 0.06 0.00 -1.25 0.00 0.00 55.69 53.62 1wbm s MET 46 Cb -0.03 -2.47 -0.02 0.00 1.25 0.00 0.00 34.83 33.56 1wbm s MET 46 CO -0.01 0.12 -0.21 0.96 1.05 0.00 0.00 175.02 176.93 1wbm s ILE 47 N 0.53 1.68 0.05 10.11 -4.36 -0.76 -4.96 121.20 123.49 1wbm s ILE 47 Ca -0.12 -0.90 0.06 0.00 -0.26 0.00 0.00 60.65 59.42 1wbm s ILE 47 Cb -0.16 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 1wbm s ILE 47 CO 0.04 0.47 -0.12 -0.83 0.24 0.00 0.00 174.94 174.75 1wbm s GLY 48 N -0.46 1.70 0.00 6.27 0.00 -1.26 -1.69 107.32 111.88 1wbm s GLY 48 Ca 0.07 -1.15 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1wbm s GLY 48 CO -0.01 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.65 1wbm n GLY 49 N 1.28 4.16 3.70 0.20 0.00 -0.39 -4.98 105.19 109.17 1wbm n GLY 49 Ca -0.15 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1wbm n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wbm s ILE 50 N -1.09 3.60 0.00 -0.61 1.09 -1.26 -2.31 121.20 120.62 1wbm s ILE 50 Ca 0.00 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.61 1wbm s ILE 50 Cb 0.00 -3.68 0.00 0.00 -1.06 0.00 0.00 42.46 37.72 1wbm s ILE 50 CO 0.00 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.48 1wbm n GLY 51 N 3.57 2.37 0.00 6.18 0.00 -1.26 -4.98 105.19 111.07 1wbm n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1wbm n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wbm n GLY 52 N -0.42 0.66 3.82 -0.02 0.00 -0.98 -5.09 105.19 103.16 1wbm n GLY 52 Ca 0.00 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1wbm n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wbm s PHE 53 N -1.51 3.14 0.03 1.61 0.40 -1.26 -1.26 117.98 119.13 1wbm s PHE 53 Ca 0.00 -0.07 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 1wbm s PHE 53 Cb 0.00 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 1wbm s PHE 53 CO 0.00 0.52 -0.04 0.96 0.70 0.00 0.00 175.22 177.35 1wbm s ILE 54 N -1.98 0.23 -0.08 0.64 -4.36 -0.68 -4.97 121.20 110.00 1wbm s ILE 54 Ca 0.32 -0.94 -0.18 0.00 -0.26 0.00 0.00 60.65 59.60 1wbm s ILE 54 Cb -0.09 -0.35 -0.05 0.00 1.25 0.00 0.00 42.46 43.22 1wbm s ILE 54 CO 0.25 -0.46 0.47 -0.75 0.24 0.00 0.00 174.94 174.69 1wbm s LYS 55 N -1.46 4.24 0.22 0.37 2.20 -1.26 -1.83 119.74 122.22 1wbm s LYS 55 Ca -0.14 0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.96 1wbm s LYS 55 Cb -0.10 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1wbm s LYS 55 CO -0.01 0.31 0.02 0.14 -0.36 0.00 0.00 175.35 175.45 1wbm s VAL 56 N 0.13 0.82 -0.19 4.02 -7.23 0.35 -4.49 120.40 113.82 1wbm s VAL 56 Ca 0.26 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.34 1wbm s VAL 56 Cb -0.16 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1wbm s VAL 56 CO 0.12 -0.29 0.07 -0.13 -0.31 0.00 0.00 175.10 174.56 1wbm s ARG 57 N -3.92 3.94 -0.23 4.82 0.52 0.64 -1.49 118.95 123.22 1wbm s ARG 57 Ca 0.29 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.03 1wbm s ARG 57 Cb 0.06 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 1wbm s ARG 57 CO 0.09 0.21 0.19 -1.14 0.02 0.00 0.00 175.30 174.67 1wbm s GLN 58 N 0.54 4.08 -0.06 3.54 0.74 0.96 -0.98 119.66 128.47 1wbm s GLN 58 Ca 0.03 -0.21 0.05 0.00 0.05 0.00 0.00 55.36 55.28 1wbm s GLN 58 Cb -0.13 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 1wbm s GLN 58 CO 0.01 0.05 -0.22 0.71 -0.55 0.00 0.00 175.29 175.29 1wbm s TYR 59 N 1.08 2.53 0.33 1.67 1.51 -0.39 -1.22 117.35 122.86 1wbm s TYR 59 Ca 0.09 -0.60 0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1wbm s TYR 59 Cb -0.14 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1wbm s TYR 59 CO 0.05 -0.14 0.26 -0.51 -1.11 0.00 0.00 175.55 174.10 1wbm s ASP 60 N -0.22 5.17 -1.48 2.29 1.01 -1.26 -0.62 116.67 121.56 1wbm s ASP 60 Ca -0.01 -0.54 -0.11 0.00 0.71 0.00 0.00 52.55 52.59 1wbm s ASP 60 Cb -0.13 -0.94 0.06 0.00 1.01 0.00 0.00 42.92 42.92 1wbm s ASP 60 CO 0.03 -0.33 0.97 0.00 0.21 0.00 0.00 175.17 176.05 1wbm n GLN 61 N -1.32 -5.77 -3.49 8.23 3.00 -1.21 -4.92 117.38 111.91 1wbm n GLN 61 Ca -0.02 0.63 -0.38 0.00 -0.01 0.00 0.00 57.00 57.22 1wbm n GLN 61 Cb 0.60 -5.50 -0.06 0.00 0.00 0.00 0.00 30.24 25.28 1wbm n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1wbm s ILE 62 N -3.36 5.12 -0.00 5.09 -1.09 -0.49 -4.82 121.20 121.66 1wbm s ILE 62 Ca 0.55 0.79 -0.20 0.00 -2.23 0.00 0.00 60.65 59.56 1wbm s ILE 62 Cb -0.27 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.85 1wbm s ILE 62 CO 0.81 0.50 0.60 -0.22 -1.23 0.00 0.00 174.94 175.40 1wbm s LEU 63 N -0.52 4.42 -0.03 2.97 2.96 -1.26 -2.06 118.68 125.17 1wbm s LEU 63 Ca 0.23 1.17 -0.03 0.00 -0.22 0.00 0.00 54.13 55.27 1wbm s LEU 63 Cb -0.16 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1wbm s LEU 63 CO 0.11 0.11 0.08 -0.63 -1.32 0.00 0.00 176.35 174.70 1wbm s ILE 64 N -0.23 0.01 -0.22 6.68 1.01 0.15 -4.58 121.20 124.02 1wbm s ILE 64 Ca 0.31 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.79 1wbm s ILE 64 Cb -0.18 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1wbm s ILE 64 CO 0.17 -0.06 0.04 -1.61 0.00 0.00 0.00 174.94 173.48 1wbm s GLU 65 N -0.16 3.68 -0.29 2.79 2.02 -0.31 -0.36 118.70 126.06 1wbm s GLU 65 Ca -0.02 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1wbm s GLU 65 Cb -0.02 -3.19 0.07 0.00 0.10 0.00 0.00 34.13 31.09 1wbm s GLU 65 CO 0.00 -0.03 -0.04 0.42 0.02 0.00 0.00 175.26 175.63 1wbm s ILE 66 N 1.16 2.28 -1.44 -1.63 1.01 0.14 -1.11 121.20 121.61 1wbm s ILE 66 Ca 0.04 -1.88 -0.10 0.00 0.00 0.00 0.00 60.65 58.70 1wbm s ILE 66 Cb -0.14 -2.47 0.05 0.00 0.01 0.00 0.00 42.46 39.91 1wbm s ILE 66 CO 0.02 -0.25 1.03 0.00 0.00 0.00 0.00 174.94 175.75 1wbm n GLY 68 N -1.77 2.31 3.69 0.00 0.00 -1.26 -5.02 105.19 103.14 1wbm n GLY 68 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1wbm n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wbm s HIS 69 N -2.34 3.41 0.30 1.61 4.02 -0.33 -5.06 115.29 116.90 1wbm s HIS 69 Ca 0.00 0.65 -0.23 0.00 1.02 0.00 0.00 55.06 56.50 1wbm s HIS 69 Cb 0.00 -2.49 -0.09 0.00 -1.02 0.00 0.00 32.58 28.97 1wbm s HIS 69 CO 0.00 0.07 0.87 0.15 1.02 0.00 0.00 174.74 176.84 1wbm s LYS 70 N 1.03 4.43 -0.02 1.40 1.02 -1.26 0.23 119.74 126.58 1wbm s LYS 70 Ca 0.20 1.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.19 1wbm s LYS 70 Cb -0.14 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1wbm s LYS 70 CO 0.07 0.29 0.30 0.00 -0.92 0.00 0.00 175.35 175.10 1wbm s ALA 71 N -1.63 -0.76 -0.04 5.17 0.00 0.51 -4.82 121.76 120.19 1wbm s ALA 71 Ca 0.49 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.84 1wbm s ALA 71 Cb -0.17 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1wbm s ALA 71 CO 0.22 -0.25 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 1wbm s ILE 72 N -1.23 1.56 -0.49 0.00 1.01 -1.26 -0.68 121.20 120.11 1wbm s ILE 72 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1wbm s ILE 72 Cb -0.05 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1wbm s ILE 72 CO 0.04 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.03 1wbm n GLY 73 N 2.97 -1.26 3.73 6.18 0.00 -0.87 -4.94 105.19 110.99 1wbm n GLY 73 Ca -0.17 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1wbm n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wbm s THR 74 N -2.35 4.27 -0.06 2.61 2.01 -1.26 -1.39 115.64 119.45 1wbm s THR 74 Ca 0.00 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.93 1wbm s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.30 1wbm s THR 74 CO 0.00 0.30 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 1wbm s VAL 75 N -0.08 1.30 -0.02 3.82 1.01 0.21 -4.48 120.40 122.16 1wbm s VAL 75 Ca 0.48 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.85 1wbm s VAL 75 Cb -0.26 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1wbm s VAL 75 CO 0.31 0.39 0.09 -0.76 0.00 0.00 0.00 175.10 175.13 1wbm s LEU 76 N 0.47 3.97 -0.07 3.92 1.43 0.06 -1.27 118.68 127.19 1wbm s LEU 76 Ca -0.12 0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1wbm s LEU 76 Cb -0.15 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1wbm s LEU 76 CO 0.04 0.29 -0.12 -0.69 0.23 0.00 0.00 176.35 176.10 1wbm s VAL 77 N -1.18 1.14 0.00 -1.59 1.01 -0.16 -0.38 120.40 119.25 1wbm s VAL 77 Ca 0.22 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1wbm s VAL 77 Cb -0.12 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1wbm s VAL 77 CO 0.13 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1wbm n GLY 78 N 3.86 0.93 2.17 4.51 0.00 -0.66 -0.26 105.19 115.73 1wbm n GLY 78 Ca -0.22 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1wbm n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wbm n PRO 79 N 0.00 1.75 -3.11 1.61 -0.04 -1.26 -2.75 135.00 131.19 1wbm n PRO 79 Ca 0.00 -0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 62.14 1wbm n PRO 79 Cb 0.00 -2.00 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 1wbm n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wbm s THR 80 N 1.65 4.71 0.17 0.52 -1.32 -1.26 -4.96 115.64 115.15 1wbm s THR 80 Ca 0.52 1.44 0.31 0.00 -1.21 0.00 0.00 61.69 62.75 1wbm s THR 80 Cb 0.23 -4.02 0.34 0.00 -1.51 0.00 0.00 72.50 67.54 1wbm s THR 80 CO -0.01 0.46 1.96 1.55 -2.21 0.00 0.00 174.62 176.38 1wbm h PRO 81 N 5.11 0.00 -3.82 7.08 0.13 -1.99 -3.41 132.00 135.10 1wbm h PRO 81 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 1wbm h PRO 81 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 1wbm h PRO 81 CO 0.68 0.08 -0.63 0.54 -0.23 0.00 0.00 178.00 178.44 1wbm s VAL 82 N -3.74 0.10 0.04 1.56 0.11 -1.26 -5.05 120.40 112.15 1wbm s VAL 82 Ca 0.00 -0.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.91 1wbm s VAL 82 Cb 0.10 -0.33 -0.05 0.00 -1.53 0.00 0.00 36.38 34.57 1wbm s VAL 82 CO 0.57 -0.46 1.16 0.20 -3.33 0.00 0.00 175.10 173.24 1wbm s ASN 83 N -1.44 7.13 -0.12 3.54 0.01 -1.26 -4.70 114.94 118.09 1wbm s ASN 83 Ca -0.15 1.93 0.03 0.00 -0.71 0.00 0.00 52.86 53.95 1wbm s ASN 83 Cb -0.09 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.00 1wbm s ASN 83 CO -0.00 -0.44 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.30 1wbm s ILE 84 N 1.16 1.98 -0.42 0.60 1.01 0.27 -0.80 121.20 125.00 1wbm s ILE 84 Ca 0.57 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1wbm s ILE 84 Cb -0.27 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.50 1wbm s ILE 84 CO 0.28 0.54 0.30 -0.63 0.00 0.00 0.00 174.94 175.43 1wbm s ILE 85 N 0.65 5.06 0.49 2.92 -1.09 0.77 -1.72 121.20 128.28 1wbm s ILE 85 Ca -0.12 -0.83 -0.00 0.00 -2.23 0.00 0.00 60.65 57.46 1wbm s ILE 85 Cb -0.16 -3.88 0.10 0.00 -1.58 0.00 0.00 42.46 36.93 1wbm s ILE 85 CO 0.02 -0.37 0.67 0.61 -1.23 0.00 0.00 174.94 174.65 1wbm n GLY 86 N 5.13 0.63 0.37 6.18 0.00 -1.17 -1.31 105.19 115.01 1wbm n GLY 86 Ca -0.11 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.03 1wbm n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wbm h ARG 87 N 0.00 0.54 -0.23 1.61 3.08 -0.94 -1.67 114.38 116.78 1wbm h ARG 87 Ca -0.22 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 59.86 1wbm h ARG 87 Cb 0.81 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1wbm h ARG 87 CO 0.24 0.36 0.18 -2.95 -1.07 0.00 0.00 179.97 176.73 1wbm h ASN 88 N 0.56 0.00 0.00 7.04 -1.07 -1.80 -2.53 115.58 117.78 1wbm h ASN 88 Ca 0.36 0.00 -0.30 0.00 0.07 0.00 0.00 56.30 56.43 1wbm h ASN 88 Cb 0.62 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.81 1wbm h ASN 88 CO -0.13 0.00 -2.12 0.18 0.07 0.00 0.00 177.43 175.44 1wbm n LEU 89 N -4.25 0.04 -0.02 6.14 4.77 -0.87 -4.40 117.00 118.41 1wbm n LEU 89 Ca 0.03 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1wbm n LEU 89 Cb 0.33 0.38 0.42 0.00 -2.33 0.00 0.00 43.42 42.22 1wbm n LEU 89 CO 0.33 0.41 1.17 -0.07 -1.33 0.00 0.00 177.39 177.90 1wbm h LEU 90 N 0.00 0.50 -0.77 2.23 3.38 -1.11 -1.97 115.31 117.57 1wbm h LEU 90 Ca -0.44 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1wbm h LEU 90 Cb 2.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 1wbm h LEU 90 CO 0.02 0.36 0.11 0.71 0.09 0.00 0.00 178.44 179.73 1wbm h THR 91 N 0.58 1.26 0.00 0.22 1.35 -1.68 -1.51 112.91 113.14 1wbm h THR 91 Ca 0.17 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.01 1wbm h THR 91 Cb -0.02 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1wbm h THR 91 CO -0.04 0.37 -0.10 1.56 -0.25 0.00 0.00 175.52 177.07 1wbm h GLN 92 N 0.99 0.00 -0.38 4.72 1.08 -1.56 -1.49 115.11 118.47 1wbm h GLN 92 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1wbm h GLN 92 Cb 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1wbm h GLN 92 CO 0.01 0.10 0.00 0.44 -0.95 0.00 0.00 178.83 178.43 1wbm n ILE 93 N -3.72 0.48 -2.11 2.54 -5.35 -1.12 -4.95 119.36 105.14 1wbm n ILE 93 Ca -0.02 -0.72 -0.05 0.00 -0.27 0.00 0.00 62.75 61.69 1wbm n ILE 93 Cb 0.21 0.93 -0.00 0.00 -1.74 0.00 0.00 39.64 39.03 1wbm n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wbm n GLY 94 N 1.48 0.17 3.72 3.28 0.00 -0.56 -5.01 105.19 108.28 1wbm n GLY 94 Ca 0.19 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1wbm n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wbm s THR 96 N 0.50 0.82 -0.20 0.00 -4.23 -1.26 -4.72 115.64 106.54 1wbm s THR 96 Ca 0.53 -1.67 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 1wbm s THR 96 Cb -0.28 -1.37 -0.05 0.00 1.34 0.00 0.00 72.50 72.14 1wbm s THR 96 CO 0.31 -0.64 0.19 -0.22 -0.54 0.00 0.00 174.62 173.72 1wbm s LEU 97 N -2.54 4.19 -0.02 4.79 2.96 -1.26 -5.09 118.68 121.72 1wbm s LEU 97 Ca 0.06 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1wbm s LEU 97 Cb -0.01 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.50 1wbm s LEU 97 CO -0.01 0.12 -0.09 0.20 -1.32 0.00 0.00 176.35 175.25 1wbm s ASN 98 N 0.59 1.15 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.93 1wbm s ASN 98 Ca 0.10 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.21 1wbm s ASN 98 Cb -0.12 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.84 1wbm s ASN 98 CO 0.01 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.84