#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibk s PHE 6 N 0.00 3.57 0.17 2.11 2.99 -1.26 -4.60 117.98 120.95 1ibk s PHE 6 Ca 0.00 0.84 -0.09 0.00 0.00 0.00 0.00 56.93 57.68 1ibk s PHE 6 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 43.02 40.54 1ibk s PHE 6 CO 0.00 0.34 0.48 -2.00 -0.00 0.00 0.00 175.22 174.04 1ibk s GLU 7 N 0.04 3.77 -0.19 0.44 2.12 0.53 -4.87 118.70 120.55 1ibk s GLU 7 Ca 0.23 0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.74 1ibk s GLU 7 Cb -0.15 -2.79 0.01 0.00 0.26 0.00 0.00 34.13 31.46 1ibk s GLU 7 CO 0.09 0.41 -0.14 -2.00 -0.54 0.00 0.00 175.26 173.09 1ibk s GLU 8 N -2.52 3.17 -0.08 4.30 2.12 -1.26 -0.60 118.70 123.83 1ibk s GLU 8 Ca 0.42 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 55.05 1ibk s GLU 8 Cb -0.12 -2.73 -0.00 0.00 0.26 0.00 0.00 34.13 31.54 1ibk s GLU 8 CO 0.21 -0.16 -0.23 0.21 -0.54 0.00 0.00 175.26 174.75 1ibk s LYS 9 N 1.25 2.77 -0.68 4.30 2.20 0.12 -5.00 119.74 124.70 1ibk s LYS 9 Ca 0.03 -0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 54.65 1ibk s LYS 9 Cb -0.14 -2.17 0.17 0.00 -1.51 0.00 0.00 37.83 34.19 1ibk s LYS 9 CO -0.07 0.22 0.63 1.41 -0.36 0.00 0.00 175.35 177.18 1ibk s MET 10 N 0.22 3.28 0.00 4.03 -2.45 -1.26 0.15 119.30 123.26 1ibk s MET 10 Ca -0.14 -2.09 0.00 0.00 -1.25 0.00 0.00 55.69 52.21 1ibk s MET 10 Cb -0.16 -4.35 0.00 0.00 1.25 0.00 0.00 34.83 31.56 1ibk s MET 10 CO 0.07 -1.31 0.66 -0.89 1.05 0.00 0.00 175.02 174.60 1ibk n ILE 11 N 4.61 0.00 -3.72 10.11 2.08 -0.36 -4.86 119.36 127.21 1ibk n ILE 11 Ca -0.00 1.16 -0.12 0.00 0.56 0.00 0.00 62.75 64.35 1ibk n ILE 11 Cb 0.43 -1.74 -0.07 0.00 -0.75 0.00 0.00 39.64 37.51 1ibk n ILE 11 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 1ibk s LEU 12 N -3.06 0.72 -0.04 1.39 -0.00 -1.24 -4.97 118.68 111.48 1ibk s LEU 12 Ca 0.00 -0.14 0.01 0.00 -0.00 0.00 0.00 54.13 54.01 1ibk s LEU 12 Cb 0.00 1.49 0.02 0.00 -0.00 0.00 0.00 46.19 47.69 1ibk s LEU 12 CO 0.00 -0.64 -0.06 0.27 -0.00 0.00 0.00 176.35 175.92 1ibk s ILE 13 N -2.57 0.65 0.25 1.48 -4.36 -1.26 0.24 121.20 115.62 1ibk s ILE 13 Ca -0.05 -0.21 0.10 0.00 -0.26 0.00 0.00 60.65 60.24 1ibk s ILE 13 Cb -0.01 -0.64 -0.05 0.00 1.25 0.00 0.00 42.46 43.01 1ibk s ILE 13 CO -0.03 0.24 -0.18 0.00 0.24 0.00 0.00 174.94 175.20 1ibk s ARG 14 N 0.76 1.54 -0.16 0.37 1.70 -0.17 -4.98 118.95 118.01 1ibk s ARG 14 Ca -0.11 -1.68 -0.19 0.00 -0.47 0.00 0.00 55.73 53.28 1ibk s ARG 14 Cb -0.14 -1.55 -0.23 0.00 -0.57 0.00 0.00 34.95 32.46 1ibk s ARG 14 CO 0.01 0.29 0.40 -0.09 -1.08 0.00 0.00 175.30 174.83 1ibk h ARG 15 N 2.47 0.10 -2.52 3.89 1.12 -1.87 -1.58 114.38 116.00 1ibk h ARG 15 Ca -0.40 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.30 1ibk h ARG 15 Cb 1.24 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.27 1ibk h ARG 15 CO 0.59 1.08 -0.26 -2.37 -3.11 0.00 0.00 179.97 175.90 1ibk n THR 16 N -4.20 -1.10 -4.04 0.20 5.66 -1.26 -3.37 114.28 106.16 1ibk n THR 16 Ca -0.27 0.52 -0.08 0.00 -3.05 0.00 0.00 64.05 61.17 1ibk n THR 16 Cb 0.76 -0.79 -0.09 0.00 -1.55 0.00 0.00 70.33 68.66 1ibk n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ibk s ALA 17 N -3.87 0.39 -0.01 1.79 0.00 -1.26 -2.57 121.76 116.23 1ibk s ALA 17 Ca 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 51.96 50.86 1ibk s ALA 17 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1ibk s ALA 17 CO 0.00 -0.44 -0.05 0.50 0.00 0.00 0.00 175.76 175.77 1ibk s ARG 18 N -3.93 0.49 0.20 0.00 3.00 0.51 -4.91 118.95 114.31 1ibk s ARG 18 Ca 0.10 -0.17 -0.28 0.00 -1.00 0.00 0.00 55.73 54.38 1ibk s ARG 18 Cb 0.07 -0.49 -0.08 0.00 0.00 0.00 0.00 34.95 34.45 1ibk s ARG 18 CO -0.08 0.08 0.88 -1.64 0.00 0.00 0.00 175.30 174.55 1ibk s MET 19 N 0.07 4.74 -0.05 5.12 -1.94 -1.26 -0.37 119.30 125.61 1ibk s MET 19 Ca -0.00 1.37 -0.13 0.00 -1.71 0.00 0.00 55.69 55.21 1ibk s MET 19 Cb -0.04 -3.28 0.03 0.00 2.01 0.00 0.00 34.83 33.54 1ibk s MET 19 CO -0.00 0.50 0.31 -0.65 -0.01 0.00 0.00 175.02 175.17 1ibk s GLN 20 N -1.04 0.56 0.35 2.03 -1.52 0.22 -4.96 119.66 115.30 1ibk s GLN 20 Ca 0.40 0.02 -0.24 0.00 -1.95 0.00 0.00 55.36 53.59 1ibk s GLN 20 Cb -0.25 0.25 -0.15 0.00 -0.22 0.00 0.00 33.01 32.65 1ibk s GLN 20 CO 0.30 -0.13 0.42 0.00 -0.25 0.00 0.00 175.29 175.62 1ibk n ALA 21 N 1.84 -2.28 -0.16 6.09 0.00 -1.26 0.93 120.51 125.67 1ibk n ALA 21 Ca -0.19 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ibk n ALA 21 Cb 0.57 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1ibk n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 22 N 1.99 2.30 0.00 0.00 0.00 -1.26 -4.92 105.19 103.30 1ibk n GLY 22 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ibk n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibk n GLY 23 N -2.00 0.56 3.88 -0.02 0.00 0.26 -5.11 105.19 102.76 1ibk n GLY 23 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 1ibk n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 24 N -1.68 3.76 -0.09 1.61 0.52 -1.26 -0.61 118.95 121.20 1ibk s ARG 24 Ca 0.00 0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 55.64 1ibk s ARG 24 Cb 0.00 -2.38 0.05 0.00 0.52 0.00 0.00 34.95 33.13 1ibk s ARG 24 CO 0.00 -0.06 0.13 1.03 0.02 0.00 0.00 175.30 176.42 1ibk s ARG 25 N -3.93 0.02 0.61 3.54 0.52 0.50 -4.91 118.95 115.30 1ibk s ARG 25 Ca 0.51 0.40 -0.02 0.00 -0.52 0.00 0.00 55.73 56.10 1ibk s ARG 25 Cb -0.10 -0.61 0.04 0.00 0.52 0.00 0.00 34.95 34.80 1ibk s ARG 25 CO 0.33 -0.39 0.87 -0.06 0.02 0.00 0.00 175.30 176.07 1ibk s PHE 26 N 2.24 2.91 -0.28 -0.53 0.40 -1.26 -0.36 117.98 121.10 1ibk s PHE 26 Ca 0.04 0.20 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 1ibk s PHE 26 Cb -0.13 -2.91 0.11 0.00 0.51 0.00 0.00 43.02 40.60 1ibk s PHE 26 CO -0.06 -1.06 0.80 0.50 0.70 0.00 0.00 175.22 176.09 1ibk s ARG 27 N -4.95 0.58 0.21 0.44 3.52 -1.06 -4.85 118.95 112.83 1ibk s ARG 27 Ca 0.58 1.02 -0.04 0.00 -0.13 0.00 0.00 55.73 57.16 1ibk s ARG 27 Cb -0.10 0.15 -0.05 0.00 -1.56 0.00 0.00 34.95 33.38 1ibk s ARG 27 CO 0.41 -0.13 0.44 -0.06 -0.81 0.00 0.00 175.30 175.16 1ibk s PHE 28 N 1.60 3.47 0.03 5.12 0.40 -0.79 -4.14 117.98 123.67 1ibk s PHE 28 Ca -0.09 0.54 0.05 0.00 -0.60 0.00 0.00 56.93 56.83 1ibk s PHE 28 Cb -0.05 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1ibk s PHE 28 CO -0.18 0.33 -0.16 0.20 0.70 0.00 0.00 175.22 176.11 1ibk s GLY 29 N -2.86 0.85 -0.01 4.36 0.00 -0.60 -0.25 107.32 108.83 1ibk s GLY 29 Ca 0.41 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 44.30 1ibk s GLY 29 CO 0.27 -0.79 -0.02 0.00 0.00 0.00 0.00 173.10 172.56 1ibk s ALA 30 N -0.74 0.28 -0.17 3.20 0.00 -0.10 -1.00 121.76 123.22 1ibk s ALA 30 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.87 1ibk s ALA 30 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1ibk s ALA 30 CO 0.01 0.02 0.13 -0.51 0.00 0.00 0.00 175.76 175.42 1ibk s LEU 31 N 0.25 4.26 -0.03 0.00 1.43 0.14 -2.34 118.68 122.39 1ibk s LEU 31 Ca -0.02 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1ibk s LEU 31 Cb -0.05 -2.08 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1ibk s LEU 31 CO -0.01 0.27 -0.07 -0.69 0.23 0.00 0.00 176.35 176.09 1ibk s VAL 32 N -0.20 0.63 -0.24 -1.59 1.01 -0.48 -1.23 120.40 118.30 1ibk s VAL 32 Ca 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1ibk s VAL 32 Cb -0.11 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1ibk s VAL 32 CO 0.00 0.22 -0.07 -0.69 0.00 0.00 0.00 175.10 174.57 1ibk s VAL 33 N 0.47 2.85 -0.20 2.92 1.01 0.12 -0.51 120.40 127.07 1ibk s VAL 33 Ca -0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 1ibk s VAL 33 Cb -0.10 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1ibk s VAL 33 CO 0.00 0.23 0.01 -0.69 0.00 0.00 0.00 175.10 174.66 1ibk s VAL 34 N 1.33 4.13 0.31 2.92 1.01 0.14 0.13 120.40 130.37 1ibk s VAL 34 Ca 0.01 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.78 1ibk s VAL 34 Cb -0.16 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1ibk s VAL 34 CO -0.05 0.43 0.22 -0.83 0.00 0.00 0.00 175.10 174.87 1ibk s GLY 35 N 0.88 2.16 0.00 4.51 0.00 0.24 0.84 107.32 115.95 1ibk s GLY 35 Ca 0.01 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1ibk s GLY 35 CO 0.02 -1.52 0.61 2.09 0.00 0.00 0.00 173.10 174.30 1ibk n ASP 36 N -1.19 0.83 0.00 1.64 5.75 -0.95 0.20 116.55 122.82 1ibk n ASP 36 Ca 0.04 -1.35 0.00 0.00 -0.01 0.00 0.00 54.79 53.47 1ibk n ASP 36 Cb 0.64 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 1ibk n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ibk n ARG 37 N -0.18 -0.31 -1.27 0.11 5.12 -0.96 -4.75 116.66 114.42 1ibk n ARG 37 Ca 0.00 0.08 -0.09 0.00 -1.93 0.00 0.00 57.85 55.91 1ibk n ARG 37 Cb 0.32 -4.55 0.12 0.00 -1.16 0.00 0.00 32.46 27.19 1ibk n ARG 37 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1ibk n GLN 38 N -1.51 2.54 -0.77 5.56 -0.06 -1.26 -4.00 117.38 117.88 1ibk n GLN 38 Ca 0.00 -3.69 0.00 0.00 -2.00 0.00 0.00 57.00 51.31 1ibk n GLN 38 Cb 0.08 -1.95 0.00 0.00 -4.06 0.00 0.00 30.24 24.31 1ibk n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ibk n GLY 39 N -0.93 0.56 2.84 1.69 0.00 -0.92 -4.97 105.19 103.45 1ibk n GLY 39 Ca 0.32 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 1ibk n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ibk s ARG 40 N -1.07 1.04 0.05 1.61 0.52 -1.26 -1.53 118.95 118.31 1ibk s ARG 40 Ca 0.00 -1.24 0.09 0.00 -0.52 0.00 0.00 55.73 54.06 1ibk s ARG 40 Cb 0.00 -2.40 -0.03 0.00 0.52 0.00 0.00 34.95 33.04 1ibk s ARG 40 CO 0.00 -0.90 -0.24 0.08 0.02 0.00 0.00 175.30 174.26 1ibk s VAL 41 N 1.41 2.35 -0.00 3.52 1.01 -0.79 -2.24 120.40 125.67 1ibk s VAL 41 Ca 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1ibk s VAL 41 Cb -0.18 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1ibk s VAL 41 CO -0.17 0.32 -0.00 -0.83 0.00 0.00 0.00 175.10 174.42 1ibk s GLY 42 N -1.40 0.03 -0.10 4.51 0.00 0.25 0.37 107.32 110.98 1ibk s GLY 42 Ca 0.13 -0.00 0.02 0.00 0.00 0.00 0.00 44.72 44.87 1ibk s GLY 42 CO 0.04 0.02 -0.16 -2.27 0.00 0.00 0.00 173.10 170.73 1ibk s LEU 43 N 0.05 1.75 -0.02 0.66 0.20 -1.13 0.24 118.68 120.43 1ibk s LEU 43 Ca -0.00 -0.41 0.02 0.00 0.69 0.00 0.00 54.13 54.43 1ibk s LEU 43 Cb -0.01 -1.07 0.00 0.00 -0.43 0.00 0.00 46.19 44.69 1ibk s LEU 43 CO -0.00 0.04 -0.08 -0.83 -0.29 0.00 0.00 176.35 175.19 1ibk s GLY 44 N 0.82 0.44 -0.29 7.98 0.00 0.34 -4.30 107.32 112.32 1ibk s GLY 44 Ca -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 44.72 44.31 1ibk s GLY 44 CO 0.01 -0.08 0.01 -0.12 0.00 0.00 0.00 173.10 172.92 1ibk s PHE 45 N 0.15 3.18 0.01 1.90 5.36 -1.26 -1.38 117.98 125.94 1ibk s PHE 45 Ca -0.02 -1.54 0.06 0.00 -0.96 0.00 0.00 56.93 54.47 1ibk s PHE 45 Cb -0.07 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1ibk s PHE 45 CO 0.00 -0.73 -0.18 0.20 -1.46 0.00 0.00 175.22 173.05 1ibk s GLY 46 N 1.34 0.95 0.12 13.12 0.00 -0.99 -4.88 107.32 116.99 1ibk s GLY 46 Ca -0.02 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 43.89 1ibk s GLY 46 CO -0.01 -0.78 -0.16 0.54 0.00 0.00 0.00 173.10 172.68 1ibk s LYS 47 N -0.79 1.07 -0.23 2.90 3.01 -1.26 -0.93 119.74 123.51 1ibk s LYS 47 Ca 0.06 -1.23 -0.34 0.00 -1.01 0.00 0.00 55.97 53.46 1ibk s LYS 47 Cb -0.08 -1.07 0.15 0.00 -1.01 0.00 0.00 37.83 35.83 1ibk s LYS 47 CO 0.00 0.22 1.25 0.00 0.51 0.00 0.00 175.35 177.34 1ibk s ALA 48 N -1.86 -2.09 0.30 5.17 0.00 0.66 -4.76 121.76 119.18 1ibk s ALA 48 Ca 0.09 1.72 0.15 0.00 0.00 0.00 0.00 51.96 53.93 1ibk s ALA 48 Cb -0.06 -0.58 1.05 0.00 0.00 0.00 0.00 23.12 23.53 1ibk s ALA 48 CO 0.04 -0.47 1.30 -0.35 0.00 0.00 0.00 175.76 176.28 1ibk n PRO 49 N 0.16 -0.05 -4.85 0.00 -0.04 -1.26 -1.89 135.00 127.07 1ibk n PRO 49 Ca 0.00 1.15 -0.27 0.00 -0.04 0.00 0.00 63.50 64.35 1ibk n PRO 49 Cb 0.58 -2.04 -0.16 0.00 -0.04 0.00 0.00 33.50 31.84 1ibk n PRO 49 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ibk s GLU 50 N -5.32 1.90 0.03 0.54 2.02 -1.26 -4.43 118.70 112.18 1ibk s GLU 50 Ca -0.08 -0.61 -0.06 0.00 0.02 0.00 0.00 54.97 54.24 1ibk s GLU 50 Cb 0.28 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.88 1ibk s GLU 50 CO 0.64 0.21 0.77 0.28 0.02 0.00 0.00 175.26 177.19 1ibk n VAL 51 N 3.25 -0.12 -0.13 2.63 0.31 -1.26 -1.59 118.33 121.42 1ibk n VAL 51 Ca -0.19 1.17 -0.03 0.00 -0.01 0.00 0.00 64.34 65.28 1ibk n VAL 51 Cb 0.53 -1.52 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 1ibk n VAL 51 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1ibk n PRO 52 N -3.25 -0.14 -0.25 5.55 -0.02 -1.26 0.11 135.00 135.74 1ibk n PRO 52 Ca 0.00 0.79 0.05 0.00 -2.02 0.00 0.00 63.50 62.32 1ibk n PRO 52 Cb 0.05 -1.16 0.17 0.00 -0.02 0.00 0.00 33.50 32.53 1ibk n PRO 52 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ibk h LEU 53 N 0.00 -0.13 -0.27 2.45 3.38 -1.66 0.84 115.31 119.92 1ibk h LEU 53 Ca 0.05 0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1ibk h LEU 53 Cb 0.13 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1ibk h LEU 53 CO -0.30 -0.10 0.14 0.00 0.09 0.00 0.00 178.44 178.28 1ibk h ALA 54 N 1.64 0.32 -0.08 1.53 0.00 0.12 0.83 119.26 123.62 1ibk h ALA 54 Ca 0.41 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1ibk h ALA 54 Cb 0.71 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ibk h ALA 54 CO -0.56 -0.25 0.01 0.28 0.00 0.00 0.00 179.25 178.73 1ibk h VAL 55 N 0.30 0.96 -0.03 0.00 2.07 0.37 0.95 116.25 120.87 1ibk h VAL 55 Ca 0.11 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1ibk h VAL 55 Cb 0.02 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1ibk h VAL 55 CO -0.06 0.01 0.02 -0.61 0.02 0.00 0.00 177.57 176.94 1ibk h GLN 56 N 0.04 0.04 -0.57 1.57 5.75 -0.36 0.10 115.11 121.69 1ibk h GLN 56 Ca 0.03 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 1ibk h GLN 56 Cb 0.03 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1ibk h GLN 56 CO -0.05 0.10 0.38 -0.22 -2.65 0.00 0.00 178.83 176.39 1ibk h LYS 57 N -0.02 0.41 0.84 1.69 3.64 0.99 -0.62 116.57 123.50 1ibk h LYS 57 Ca 0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1ibk h LYS 57 Cb 0.07 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1ibk h LYS 57 CO -0.00 0.27 -0.40 0.00 -2.27 0.00 0.00 179.45 177.05 1ibk h ALA 58 N 1.71 -1.13 -1.01 5.00 0.00 0.30 -2.15 119.26 121.99 1ibk h ALA 58 Ca 0.26 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.03 1ibk h ALA 58 Cb 0.46 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 1ibk h ALA 58 CO -0.07 -1.10 0.64 0.78 0.00 0.00 0.00 179.25 179.49 1ibk h GLY 59 N -1.19 1.63 0.40 0.00 0.00 -0.05 0.42 103.07 104.29 1ibk h GLY 59 Ca -0.12 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1ibk h GLY 59 CO 0.19 0.19 -0.37 -1.82 0.00 0.00 0.00 176.54 174.73 1ibk h TYR 60 N 1.03 -1.01 -0.72 5.60 3.20 -0.99 0.25 116.97 124.32 1ibk h TYR 60 Ca 0.49 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.36 1ibk h TYR 60 Cb 0.44 0.42 -0.03 0.00 1.54 0.00 0.00 36.73 39.11 1ibk h TYR 60 CO -0.00 -0.48 0.35 1.88 -1.64 0.00 0.00 178.16 178.27 1ibk h TYR 61 N -0.62 1.03 -0.59 -3.82 0.05 -0.92 -2.35 116.97 109.75 1ibk h TYR 61 Ca 0.02 -0.05 0.08 0.00 0.05 0.00 0.00 58.73 58.84 1ibk h TYR 61 Cb 0.64 -0.32 -0.07 0.00 1.01 0.00 0.00 36.73 37.99 1ibk h TYR 61 CO -0.31 0.76 0.24 0.00 -1.05 0.00 0.00 178.16 177.80 1ibk h ALA 62 N 1.17 0.77 -0.02 3.88 0.00 -0.21 -0.08 119.26 124.77 1ibk h ALA 62 Ca 0.25 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1ibk h ALA 62 Cb 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ibk h ALA 62 CO -0.03 -0.16 0.04 -0.09 0.00 0.00 0.00 179.25 179.00 1ibk h ARG 63 N 0.44 0.00 -0.53 0.00 2.43 0.03 -1.19 114.38 115.56 1ibk h ARG 63 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1ibk h ARG 63 Cb 0.33 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ibk h ARG 63 CO -0.27 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.73 1ibk n ARG 64 N -3.46 3.29 -3.30 0.20 1.74 -0.07 -4.56 116.66 110.50 1ibk n ARG 64 Ca -0.03 -2.65 -0.25 0.00 -0.77 0.00 0.00 57.85 54.15 1ibk n ARG 64 Cb 0.11 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 29.78 1ibk n ARG 64 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ibk n ASN 65 N 0.81 0.60 -4.98 0.55 5.15 -0.45 -5.08 115.26 111.86 1ibk n ASN 65 Ca 0.22 -2.74 -0.20 0.00 -0.60 0.00 0.00 54.58 51.26 1ibk n ASN 65 Cb 0.74 -0.63 -0.01 0.00 -0.53 0.00 0.00 39.78 39.36 1ibk n ASN 65 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1ibk s MET 66 N -1.08 3.19 -0.04 1.20 -1.94 -1.26 -2.82 119.30 116.55 1ibk s MET 66 Ca 0.35 -0.84 -0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1ibk s MET 66 Cb 0.13 -2.78 0.02 0.00 2.01 0.00 0.00 34.83 34.20 1ibk s MET 66 CO -0.12 0.08 0.11 0.08 -0.01 0.00 0.00 175.02 175.16 1ibk s VAL 67 N -2.21 -0.01 -0.66 -6.03 1.01 0.16 -4.95 120.40 107.71 1ibk s VAL 67 Ca 0.43 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 62.27 1ibk s VAL 67 Cb -0.09 -0.16 0.12 0.00 0.00 0.00 0.00 36.38 36.24 1ibk s VAL 67 CO 0.32 0.02 0.75 -1.61 0.00 0.00 0.00 175.10 174.58 1ibk s GLU 68 N 0.32 3.17 -0.28 2.72 8.01 -1.26 -1.88 118.70 129.50 1ibk s GLU 68 Ca -0.02 -1.52 -0.29 0.00 0.01 0.00 0.00 54.97 53.14 1ibk s GLU 68 Cb -0.03 -4.36 0.00 0.00 -4.31 0.00 0.00 34.13 25.43 1ibk s GLU 68 CO -0.01 -1.53 1.20 0.08 0.01 0.00 0.00 175.26 175.01 1ibk s VAL 69 N 2.34 4.33 -0.07 2.63 1.01 -0.59 -4.92 120.40 125.14 1ibk s VAL 69 Ca 0.14 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1ibk s VAL 69 Cb -0.21 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1ibk s VAL 69 CO 0.02 -0.39 0.97 -2.65 0.00 0.00 0.00 175.10 173.05 1ibk n PRO 70 N 6.96 0.26 -1.53 2.72 -0.02 -1.26 -4.67 135.00 137.46 1ibk n PRO 70 Ca 0.13 -0.35 -0.22 0.00 -2.02 0.00 0.00 63.50 61.05 1ibk n PRO 70 Cb 0.46 -1.78 -0.14 0.00 -0.02 0.00 0.00 33.50 32.02 1ibk n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ibk n LEU 71 N 3.81 0.27 -4.49 2.45 4.77 -1.26 -4.20 117.00 118.36 1ibk n LEU 71 Ca 0.05 -0.82 -0.44 0.00 -0.03 0.00 0.00 56.01 54.78 1ibk n LEU 71 Cb 0.06 -1.09 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 1ibk n LEU 71 CO 0.37 -1.82 1.59 0.00 -1.33 0.00 0.00 177.39 176.19 1ibk n GLN 72 N 7.36 3.32 -2.54 3.23 6.02 -0.34 -4.60 117.38 129.82 1ibk n GLN 72 Ca 0.57 -3.67 -0.00 0.00 -0.01 0.00 0.00 57.00 53.88 1ibk n GLN 72 Cb 0.27 -3.17 0.00 0.00 1.02 0.00 0.00 30.24 28.36 1ibk n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ibk n ASN 73 N 6.41 -7.16 0.00 1.08 4.05 -1.26 -3.69 115.26 114.68 1ibk n ASN 73 Ca 0.41 1.19 0.00 0.00 0.45 0.00 0.00 54.58 56.63 1ibk n ASN 73 Cb 0.43 -4.72 0.00 0.00 1.23 0.00 0.00 39.78 36.72 1ibk n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1ibk n GLY 74 N 0.55 0.00 3.45 8.20 0.00 -1.26 -4.79 105.19 111.34 1ibk n GLY 74 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1ibk n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ibk n THR 75 N -0.04 0.00 -3.52 2.61 5.66 -1.24 0.42 114.28 118.16 1ibk n THR 75 Ca 0.00 -2.07 -0.29 0.00 -3.05 0.00 0.00 64.05 58.64 1ibk n THR 75 Cb 0.00 0.10 -0.03 0.00 -1.55 0.00 0.00 70.33 68.85 1ibk n THR 75 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1ibk s ILE 76 N -2.57 5.11 0.00 1.09 1.01 -1.26 -1.20 121.20 123.37 1ibk s ILE 76 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1ibk s ILE 76 Cb -0.02 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.74 1ibk s ILE 76 CO 0.12 -0.20 0.02 -0.81 0.00 0.00 0.00 174.94 174.07 1ibk n PRO 77 N -0.64 0.00 0.00 2.79 -0.04 -1.26 -4.73 135.00 131.12 1ibk n PRO 77 Ca -0.03 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1ibk n PRO 77 Cb 0.53 -0.52 0.00 0.00 -0.04 0.00 0.00 33.50 33.47 1ibk n PRO 77 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1ibk n HIS 78 N -0.03 0.00 -4.33 0.54 1.44 -1.26 -4.84 115.22 106.73 1ibk n HIS 78 Ca 0.00 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1ibk n HIS 78 Cb 0.00 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 1ibk n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1ibk s GLU 79 N 3.11 1.76 0.09 -1.40 4.04 -1.26 -4.24 118.70 120.80 1ibk s GLU 79 Ca 0.00 -1.18 0.01 0.00 0.04 0.00 0.00 54.97 53.83 1ibk s GLU 79 Cb 0.00 -2.10 -0.04 0.00 0.02 0.00 0.00 34.13 32.01 1ibk s GLU 79 CO 0.00 0.48 -0.04 0.96 -1.84 0.00 0.00 175.26 174.82 1ibk s ILE 80 N -1.12 0.47 -0.10 1.83 -5.25 -0.73 -5.01 121.20 111.29 1ibk s ILE 80 Ca 0.17 -1.89 -0.03 0.00 -0.99 0.00 0.00 60.65 57.91 1ibk s ILE 80 Cb -0.10 -1.69 0.04 0.00 2.95 0.00 0.00 42.46 43.66 1ibk s ILE 80 CO 0.09 -0.86 0.07 -0.70 -1.79 0.00 0.00 174.94 171.76 1ibk s GLU 81 N -3.89 -0.01 -0.05 0.37 2.12 -1.26 -0.91 118.70 115.07 1ibk s GLU 81 Ca 0.12 0.18 0.05 0.00 0.36 0.00 0.00 54.97 55.68 1ibk s GLU 81 Cb 0.07 -1.07 -0.01 0.00 0.26 0.00 0.00 34.13 33.37 1ibk s GLU 81 CO -0.05 -0.47 -0.21 0.08 -0.54 0.00 0.00 175.26 174.06 1ibk s VAL 82 N 2.15 1.74 -0.14 3.70 1.01 -0.51 -4.98 120.40 123.38 1ibk s VAL 82 Ca 0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1ibk s VAL 82 Cb -0.14 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1ibk s VAL 82 CO -0.06 0.49 0.00 -1.61 0.00 0.00 0.00 175.10 173.93 1ibk s GLU 83 N -0.09 3.52 -0.55 2.72 2.02 -1.26 -0.88 118.70 124.17 1ibk s GLU 83 Ca -0.03 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.57 1ibk s GLU 83 Cb -0.12 -2.95 0.15 0.00 0.10 0.00 0.00 34.13 31.30 1ibk s GLU 83 CO 0.03 0.41 0.34 0.12 0.02 0.00 0.00 175.26 176.18 1ibk s PHE 84 N -0.07 2.82 0.00 1.61 5.36 0.62 -4.97 117.98 123.35 1ibk s PHE 84 Ca 0.04 -2.97 0.00 0.00 -0.96 0.00 0.00 56.93 53.04 1ibk s PHE 84 Cb -0.13 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.18 1ibk s PHE 84 CO 0.02 -0.69 0.00 0.41 -1.46 0.00 0.00 175.22 173.50 1ibk n GLY 85 N 2.80 2.89 0.09 13.12 0.00 -1.26 -1.92 105.19 120.90 1ibk n GLY 85 Ca 0.13 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1ibk n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ibk n ALA 86 N 10.37 2.62 -2.42 4.61 0.00 -1.26 -4.85 120.51 129.59 1ibk n ALA 86 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 1ibk n ALA 86 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 1ibk n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ibk s SER 87 N -4.40 7.24 -0.08 0.00 0.01 -0.81 -0.98 113.70 114.68 1ibk s SER 87 Ca 0.08 1.48 0.00 0.00 1.31 0.00 0.00 55.95 58.83 1ibk s SER 87 Cb 0.13 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.90 1ibk s SER 87 CO 0.66 -0.01 -0.07 -0.75 0.41 0.00 0.00 173.24 173.48 1ibk s LYS 88 N 0.05 1.31 -0.07 12.44 2.20 -0.13 0.23 119.74 135.77 1ibk s LYS 88 Ca 0.40 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.84 1ibk s LYS 88 Cb -0.21 -1.30 -0.01 0.00 -1.51 0.00 0.00 37.83 34.80 1ibk s LYS 88 CO 0.24 -0.16 -0.22 -1.50 -0.36 0.00 0.00 175.35 173.35 1ibk s ILE 89 N 1.30 2.28 -0.09 5.43 -1.16 -0.06 0.20 121.20 129.11 1ibk s ILE 89 Ca -0.04 -0.98 0.03 0.00 -0.51 0.00 0.00 60.65 59.16 1ibk s ILE 89 Cb -0.14 -1.86 -0.01 0.00 0.61 0.00 0.00 42.46 41.06 1ibk s ILE 89 CO -0.03 0.57 -0.19 -0.69 -2.81 0.00 0.00 174.94 171.79 1ibk s VAL 90 N -0.11 2.57 -0.11 4.00 1.01 -0.25 -1.42 120.40 126.09 1ibk s VAL 90 Ca -0.05 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1ibk s VAL 90 Cb -0.14 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.24 1ibk s VAL 90 CO 0.04 0.55 -0.17 -0.76 0.00 0.00 0.00 175.10 174.77 1ibk s LEU 91 N 0.05 1.81 -0.10 3.92 1.43 -0.09 -1.49 118.68 124.20 1ibk s LEU 91 Ca -0.07 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 1ibk s LEU 91 Cb -0.15 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1ibk s LEU 91 CO 0.05 0.04 -0.17 -0.75 0.23 0.00 0.00 176.35 175.75 1ibk s LYS 92 N 0.91 2.32 0.07 1.70 2.20 0.12 -1.77 119.74 125.29 1ibk s LYS 92 Ca -0.08 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.62 1ibk s LYS 92 Cb -0.15 -1.91 -0.08 0.00 -1.51 0.00 0.00 37.83 34.19 1ibk s LYS 92 CO -0.01 -0.00 1.52 -1.25 -0.36 0.00 0.00 175.35 175.25 1ibk s PRO 93 N 0.80 4.25 0.43 4.03 0.04 -1.26 0.19 135.00 143.47 1ibk s PRO 93 Ca -0.10 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1ibk s PRO 93 Cb -0.16 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.91 1ibk s PRO 93 CO 0.01 -0.62 0.49 0.00 0.04 0.00 0.00 177.00 176.93 1ibk s ALA 94 N 2.12 4.33 0.41 8.56 0.00 -1.16 -4.76 121.76 131.26 1ibk s ALA 94 Ca 0.69 -1.78 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1ibk s ALA 94 Cb -0.37 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1ibk s ALA 94 CO 0.30 -0.29 0.47 0.00 0.00 0.00 0.00 175.76 176.24 1ibk s ALA 95 N -2.43 4.28 0.18 0.00 0.00 -1.26 -4.69 121.76 117.84 1ibk s ALA 95 Ca 0.52 -1.77 -0.33 0.00 0.00 0.00 0.00 51.96 50.38 1ibk s ALA 95 Cb -0.07 -1.32 -0.15 0.00 0.00 0.00 0.00 23.12 21.59 1ibk s ALA 95 CO 0.31 -0.24 1.40 -2.30 0.00 0.00 0.00 175.76 174.92 1ibk n PRO 96 N -1.69 1.73 -0.47 0.00 -0.02 -1.26 -1.82 135.00 131.47 1ibk n PRO 96 Ca 0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1ibk n PRO 96 Cb 0.60 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1ibk n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ibk n GLY 97 N 2.55 0.74 0.13 -1.23 0.00 -1.26 -4.92 105.19 101.20 1ibk n GLY 97 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1ibk n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ibk h THR 98 N 0.00 1.39 0.00 2.61 2.02 -1.72 -3.50 112.91 113.71 1ibk h THR 98 Ca 0.00 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.61 1ibk h THR 98 Cb 0.00 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 1ibk h THR 98 CO 0.00 0.75 0.00 0.61 0.37 0.00 0.00 175.52 177.25 1ibk n GLY 99 N 1.69 -2.52 3.32 2.16 0.00 -1.26 -4.66 105.19 103.93 1ibk n GLY 99 Ca -0.16 -1.76 -0.46 0.00 0.00 0.00 0.00 46.02 43.64 1ibk n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 100 N -0.45 5.61 -0.63 1.61 1.01 -1.14 -1.88 120.40 124.52 1ibk s VAL 100 Ca 0.00 -2.71 -0.28 0.00 0.00 0.00 0.00 61.98 58.99 1ibk s VAL 100 Cb 0.00 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.96 1ibk s VAL 100 CO 0.00 -1.06 1.23 -0.63 0.00 0.00 0.00 175.10 174.64 1ibk s ILE 101 N -0.17 3.92 -0.15 2.22 1.09 -0.80 -4.94 121.20 122.36 1ibk s ILE 101 Ca 0.21 0.75 -0.32 0.00 -1.10 0.00 0.00 60.65 60.18 1ibk s ILE 101 Cb -0.10 -4.78 0.13 0.00 -1.06 0.00 0.00 42.46 36.65 1ibk s ILE 101 CO -0.09 -1.50 1.11 0.00 -0.10 0.00 0.00 174.94 174.36 1ibk s ALA 102 N 5.23 -1.99 0.52 9.38 0.00 -1.26 -2.35 121.76 131.29 1ibk s ALA 102 Ca 0.41 1.49 -0.21 0.00 0.00 0.00 0.00 51.96 53.65 1ibk s ALA 102 Cb -0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 1ibk s ALA 102 CO 0.22 -0.53 1.16 0.20 0.00 0.00 0.00 175.76 176.81 1ibk s GLY 103 N -1.95 2.70 0.31 0.00 0.00 -1.26 -4.66 107.32 102.46 1ibk s GLY 103 Ca 0.06 0.90 0.25 0.00 0.00 0.00 0.00 44.72 45.93 1ibk s GLY 103 CO -0.05 1.30 1.04 0.00 0.00 0.00 0.00 173.10 175.38 1ibk n ALA 104 N -1.08 1.00 -0.07 3.20 0.00 -1.26 -1.51 120.51 120.79 1ibk n ALA 104 Ca 0.11 0.54 -0.10 0.00 0.00 0.00 0.00 53.44 53.99 1ibk n ALA 104 Cb 0.50 -0.72 -0.07 0.00 0.00 0.00 0.00 19.45 19.16 1ibk n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ibk h VAL 105 N 0.00 0.87 -0.59 0.00 2.07 -1.97 -3.17 116.25 113.46 1ibk h VAL 105 Ca 0.59 -1.73 0.04 0.00 0.82 0.00 0.00 66.70 66.42 1ibk h VAL 105 Cb 2.04 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.50 1ibk h VAL 105 CO -0.23 0.30 0.39 -0.65 0.02 0.00 0.00 177.57 177.39 1ibk h PRO 106 N -1.00 0.65 0.00 1.57 0.11 -1.75 -3.02 132.00 128.56 1ibk h PRO 106 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ibk h PRO 106 Cb 0.66 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1ibk h PRO 106 CO -0.03 0.43 0.00 -2.13 -0.21 0.00 0.00 178.00 176.06 1ibk n ARG 107 N -4.47 0.00 -0.13 1.05 0.63 -0.57 0.67 116.66 113.85 1ibk n ARG 107 Ca 0.07 0.10 0.03 0.00 -0.92 0.00 0.00 57.85 57.13 1ibk n ARG 107 Cb 0.15 -0.83 0.06 0.00 0.45 0.00 0.00 32.46 32.28 1ibk n ARG 107 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ibk n ALA 108 N -1.43 0.10 -0.00 5.13 0.00 -1.20 0.33 120.51 123.44 1ibk n ALA 108 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.72 1ibk n ALA 108 Cb 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 1ibk n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ibk h ILE 109 N 0.00 1.14 -0.05 0.00 2.04 -1.38 -1.94 117.51 117.31 1ibk h ILE 109 Ca 0.18 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 1ibk h ILE 109 Cb 0.29 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ibk h ILE 109 CO -0.37 0.11 -0.26 -0.07 0.00 0.00 0.00 178.15 177.57 1ibk h LEU 110 N -0.06 0.09 0.49 1.44 3.38 1.12 -1.15 115.31 120.61 1ibk h LEU 110 Ca 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ibk h LEU 110 Cb 0.16 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ibk h LEU 110 CO -0.00 0.36 -0.23 -0.33 0.09 0.00 0.00 178.44 178.32 1ibk h GLU 111 N 0.09 -0.63 0.00 1.13 5.08 0.13 -1.68 114.58 118.69 1ibk h GLU 111 Ca 0.01 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1ibk h GLU 111 Cb 0.51 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1ibk h GLU 111 CO 0.04 -0.42 0.00 1.28 -1.00 0.00 0.00 179.01 178.91 1ibk n LEU 112 N -3.86 0.00 0.11 1.33 4.77 -0.76 -0.64 117.00 117.95 1ibk n LEU 112 Ca -0.08 0.32 0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1ibk n LEU 112 Cb 0.26 -0.32 0.44 0.00 -2.33 0.00 0.00 43.42 41.47 1ibk n LEU 112 CO 0.20 -0.20 0.79 0.00 -1.33 0.00 0.00 177.39 176.84 1ibk n ALA 113 N -1.32 1.40 -0.76 -1.18 0.00 -0.44 -2.27 120.51 115.94 1ibk n ALA 113 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ibk n ALA 113 Cb 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1ibk n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ibk n GLY 114 N -0.57 0.68 3.82 0.00 0.00 0.19 -2.16 105.19 107.15 1ibk n GLY 114 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1ibk n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibk s VAL 115 N -2.35 4.46 0.00 1.61 1.01 -0.78 -4.72 120.40 119.63 1ibk s VAL 115 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1ibk s VAL 115 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1ibk s VAL 115 CO 0.00 -0.21 0.00 1.07 0.00 0.00 0.00 175.10 175.96 1ibk n THR 116 N -0.38 0.00 -3.79 3.92 5.66 0.17 -4.54 114.28 115.33 1ibk n THR 116 Ca 0.05 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.78 1ibk n THR 116 Cb 0.53 -0.45 -0.17 0.00 -1.55 0.00 0.00 70.33 68.70 1ibk n THR 116 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1ibk s ASP 117 N -3.07 2.80 0.08 1.09 -0.00 -0.41 -2.88 116.67 114.27 1ibk s ASP 117 Ca 0.00 -0.73 -0.20 0.00 -0.00 0.00 0.00 52.55 51.63 1ibk s ASP 117 Cb 0.00 -0.68 0.05 0.00 -0.00 0.00 0.00 42.92 42.28 1ibk s ASP 117 CO 0.00 -0.26 0.47 0.27 -0.00 0.00 0.00 175.17 175.65 1ibk s ILE 118 N 1.79 0.04 -0.15 0.77 -4.36 -0.79 -2.98 121.20 115.53 1ibk s ILE 118 Ca -0.00 -0.36 -0.06 0.00 -0.26 0.00 0.00 60.65 59.97 1ibk s ILE 118 Cb -0.16 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.48 1ibk s ILE 118 CO -0.07 -0.20 0.05 -0.76 0.24 0.00 0.00 174.94 174.20 1ibk s LEU 119 N -2.29 3.82 0.36 0.37 1.43 0.13 -1.91 118.68 120.58 1ibk s LEU 119 Ca -0.02 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1ibk s LEU 119 Cb -0.00 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 1ibk s LEU 119 CO -0.06 0.25 0.08 -0.89 0.23 0.00 0.00 176.35 175.96 1ibk s THR 120 N -0.12 1.01 -0.30 5.49 2.01 -0.99 0.11 115.64 122.85 1ibk s THR 120 Ca 0.07 -2.00 -0.17 0.00 0.31 0.00 0.00 61.69 59.89 1ibk s THR 120 Cb -0.12 -2.62 0.18 0.00 0.01 0.00 0.00 72.50 69.95 1ibk s THR 120 CO 0.01 0.00 1.19 -0.75 -0.69 0.00 0.00 174.62 174.38 1ibk s LYS 121 N -3.84 0.10 -0.48 4.92 2.47 -0.56 -4.92 119.74 117.43 1ibk s LYS 121 Ca 0.31 0.22 -0.24 0.00 -1.56 0.00 0.00 55.97 54.70 1ibk s LYS 121 Cb 0.06 0.13 0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1ibk s LYS 121 CO 0.14 -0.06 0.85 -1.21 0.16 0.00 0.00 175.35 175.24 1ibk s GLU 122 N 2.48 3.40 0.09 4.03 2.02 -1.26 -1.09 118.70 128.36 1ibk s GLU 122 Ca -0.03 -0.13 0.05 0.00 0.02 0.00 0.00 54.97 54.88 1ibk s GLU 122 Cb -0.05 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 1ibk s GLU 122 CO -0.13 -1.25 -0.01 -0.51 0.02 0.00 0.00 175.26 173.38 1ibk s LEU 123 N 3.55 3.44 0.00 1.80 1.43 0.13 -4.99 118.68 124.05 1ibk s LEU 123 Ca 0.31 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1ibk s LEU 123 Cb -0.12 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.93 1ibk s LEU 123 CO 0.22 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.59 1ibk n GLY 124 N 0.59 -0.35 3.68 -3.19 0.00 -1.26 -0.96 105.19 103.69 1ibk n GLY 124 Ca -0.11 -1.07 -0.47 0.00 0.00 0.00 0.00 46.02 44.37 1ibk n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ibk n SER 125 N 0.26 3.34 -2.44 1.61 2.88 -0.15 -4.86 113.62 114.27 1ibk n SER 125 Ca 0.00 1.02 -0.35 0.00 -1.33 0.00 0.00 58.87 58.21 1ibk n SER 125 Cb 0.00 -1.41 0.07 0.00 -0.75 0.00 0.00 64.21 62.12 1ibk n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ibk n ARG 126 N 5.12 2.74 -2.37 -1.46 1.74 -1.26 -4.14 116.66 117.03 1ibk n ARG 126 Ca 0.20 -3.38 -0.43 0.00 -0.77 0.00 0.00 57.85 53.47 1ibk n ARG 126 Cb 0.30 -2.29 -0.02 0.00 -1.02 0.00 0.00 32.46 29.43 1ibk n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1ibk s ASN 127 N -1.77 6.71 0.17 0.55 3.84 -1.26 -4.92 114.94 118.27 1ibk s ASN 127 Ca 0.62 1.43 -0.26 0.00 0.21 0.00 0.00 52.86 54.85 1ibk s ASN 127 Cb 0.49 -2.54 0.02 0.00 -0.55 0.00 0.00 41.25 38.67 1ibk s ASN 127 CO -0.09 -1.01 1.49 -0.81 -2.79 0.00 0.00 177.10 173.90 1ibk n PRO 128 N 7.15 -0.37 0.03 0.43 -0.04 -1.26 0.20 135.00 141.15 1ibk n PRO 128 Ca 0.15 1.47 -0.11 0.00 -0.04 0.00 0.00 63.50 64.97 1ibk n PRO 128 Cb 0.46 -2.17 -0.07 0.00 -0.04 0.00 0.00 33.50 31.69 1ibk n PRO 128 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1ibk h ILE 129 N 0.00 0.00 -0.09 0.52 2.04 -1.99 0.48 117.51 118.48 1ibk h ILE 129 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1ibk h ILE 129 Cb 0.45 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1ibk h ILE 129 CO -0.92 0.00 0.07 0.78 0.00 0.00 0.00 178.15 178.07 1ibk h ASN 130 N -0.45 0.00 0.31 1.72 2.35 -1.71 -0.27 115.58 117.53 1ibk h ASN 130 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1ibk h ASN 130 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ibk h ASN 130 CO -0.25 0.00 -0.15 0.40 -1.65 0.00 0.00 177.43 175.78 1ibk h ILE 131 N 0.00 0.71 -0.57 2.81 1.08 0.14 -0.54 117.51 121.14 1ibk h ILE 131 Ca 0.04 -0.47 0.06 0.00 -0.39 0.00 0.00 64.86 64.10 1ibk h ILE 131 Cb 0.17 0.95 -0.09 0.00 -3.07 0.00 0.00 36.82 34.78 1ibk h ILE 131 CO -0.00 0.09 -0.55 0.00 -0.69 0.00 0.00 178.15 177.00 1ibk h ALA 132 N -0.10 -0.71 -1.00 1.87 0.00 0.13 0.23 119.26 119.69 1ibk h ALA 132 Ca -0.04 0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1ibk h ALA 132 Cb 0.48 1.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 1ibk h ALA 132 CO 0.07 -1.01 0.62 1.88 0.00 0.00 0.00 179.25 180.81 1ibk h TYR 133 N -0.28 1.04 0.25 0.00 0.99 -1.04 -0.09 116.97 117.85 1ibk h TYR 133 Ca 0.10 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1ibk h TYR 133 Cb 0.53 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 37.94 1ibk h TYR 133 CO -0.81 0.27 -0.12 0.00 -0.00 0.00 0.00 178.16 177.49 1ibk h ALA 134 N 1.62 -0.34 -0.77 3.88 0.00 0.90 -2.22 119.26 122.33 1ibk h ALA 134 Ca 0.55 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 55.51 1ibk h ALA 134 Cb 0.85 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 1ibk h ALA 134 CO -0.34 -0.60 0.09 1.15 0.00 0.00 0.00 179.25 179.54 1ibk h THR 135 N -0.52 0.37 0.43 0.00 2.02 0.11 0.51 112.91 115.83 1ibk h THR 135 Ca -0.03 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 1ibk h THR 135 Cb 0.39 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1ibk h THR 135 CO 0.06 0.03 -0.21 0.24 0.37 0.00 0.00 175.52 176.01 1ibk h MET 136 N 0.16 -0.55 -1.28 6.66 2.07 -1.16 0.26 114.93 121.08 1ibk h MET 136 Ca 0.44 0.04 0.37 0.00 -2.07 0.00 0.00 59.70 58.48 1ibk h MET 136 Cb 0.80 0.13 -0.08 0.00 -1.87 0.00 0.00 31.60 30.57 1ibk h MET 136 CO -0.63 -0.37 0.87 0.93 1.07 0.00 0.00 176.91 178.78 1ibk h GLU 137 N -0.61 0.13 0.00 1.72 4.39 -0.96 0.98 114.58 120.23 1ibk h GLU 137 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1ibk h GLU 137 Cb 0.44 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1ibk h GLU 137 CO 0.10 0.09 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 1ibk n ALA 138 N -2.64 0.00 -0.04 3.43 0.00 0.18 -2.61 120.51 118.82 1ibk n ALA 138 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 1ibk n ALA 138 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.73 1ibk n ALA 138 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ibk n LEU 139 N -0.36 -0.10 -0.00 0.00 4.77 0.03 -0.72 117.00 120.62 1ibk n LEU 139 Ca 0.00 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1ibk n LEU 139 Cb 0.00 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1ibk n LEU 139 CO 0.00 -0.22 0.21 0.54 -1.33 0.00 0.00 177.39 176.59 1ibk n ARG 140 N -2.98 -0.00 0.00 3.23 1.74 0.13 0.60 116.66 119.38 1ibk n ARG 140 Ca 0.00 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1ibk n ARG 140 Cb 0.02 -0.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1ibk n ARG 140 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ibk n GLN 141 N -2.46 0.00 -1.74 5.56 6.02 0.10 -4.70 117.38 120.17 1ibk n GLN 141 Ca 0.00 0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.91 1ibk n GLN 141 Cb 0.00 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.59 1ibk n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ibk n LEU 142 N -1.34 4.17 -4.05 1.08 4.77 0.20 -4.99 117.00 116.84 1ibk n LEU 142 Ca 0.00 1.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.97 1ibk n LEU 142 Cb 0.16 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 39.55 1ibk n LEU 142 CO 0.00 -0.03 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.47 1ibk s ARG 143 N -1.06 0.73 0.44 3.23 1.81 -1.26 -4.89 118.95 117.95 1ibk s ARG 143 Ca 0.61 -0.47 -0.12 0.00 -1.72 0.00 0.00 55.73 54.03 1ibk s ARG 143 Cb -0.52 -0.69 -0.07 0.00 -0.45 0.00 0.00 34.95 33.22 1ibk s ARG 143 CO 0.54 0.18 0.83 0.99 -0.68 0.00 0.00 175.30 177.16 1ibk s THR 144 N -0.50 4.73 0.53 0.02 2.01 -1.26 -4.56 115.64 116.60 1ibk s THR 144 Ca 0.01 0.76 0.25 0.00 0.31 0.00 0.00 61.69 63.02 1ibk s THR 144 Cb -0.05 -3.74 0.39 0.00 0.01 0.00 0.00 72.50 69.11 1ibk s THR 144 CO 0.00 -0.60 2.00 0.50 -0.69 0.00 0.00 174.62 175.83 1ibk h LYS 145 N 1.08 0.01 0.00 4.92 1.63 -2.01 -2.08 116.57 120.12 1ibk h LYS 145 Ca -0.47 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1ibk h LYS 145 Cb 1.19 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1ibk h LYS 145 CO 0.63 0.01 0.00 0.00 -3.45 0.00 0.00 179.45 176.64 1ibk n ALA 146 N -2.64 -0.33 -0.35 5.00 0.00 -1.26 -0.14 120.51 120.79 1ibk n ALA 146 Ca 0.10 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.79 1ibk n ALA 146 Cb 0.60 0.05 0.52 0.00 0.00 0.00 0.00 19.45 20.62 1ibk n ALA 146 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ibk h ASP 147 N 0.00 0.44 -0.49 0.00 3.45 -1.87 1.93 116.42 119.88 1ibk h ASP 147 Ca 0.00 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.47 1ibk h ASP 147 Cb 0.00 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1ibk h ASP 147 CO 0.00 0.02 -0.07 0.58 -1.57 0.00 0.00 179.24 178.20 1ibk h VAL 148 N 0.35 1.27 -0.14 -1.35 2.07 -1.29 0.93 116.25 118.08 1ibk h VAL 148 Ca 0.65 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1ibk h VAL 148 Cb 1.69 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1ibk h VAL 148 CO -0.36 0.42 0.04 -0.08 0.02 0.00 0.00 177.57 177.60 1ibk h GLU 149 N 0.78 0.22 -0.39 1.57 4.81 0.58 -2.62 114.58 119.54 1ibk h GLU 149 Ca 0.13 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ibk h GLU 149 Cb 0.62 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1ibk h GLU 149 CO 0.04 0.37 0.25 0.00 -0.73 0.00 0.00 179.01 178.94 1ibk h ARG 150 N 0.03 0.50 -0.30 1.92 2.47 0.19 -2.58 114.38 116.61 1ibk h ARG 150 Ca 0.04 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.82 1ibk h ARG 150 Cb 0.25 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1ibk h ARG 150 CO 0.00 0.33 0.24 -0.07 0.56 0.00 0.00 179.97 181.02 1ibk h LEU 151 N 0.51 0.00 -5.09 3.04 3.38 0.11 -2.98 115.31 114.28 1ibk h LEU 151 Ca 0.14 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.46 1ibk h LEU 151 Cb -0.05 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.33 1ibk h LEU 151 CO -0.04 0.00 -0.13 0.54 0.09 0.00 0.00 178.44 178.90 1ibk n ARG 152 N -4.24 3.55 0.00 1.13 1.74 -0.97 -4.92 116.66 112.95 1ibk n ARG 152 Ca 0.04 -4.47 0.00 0.00 -0.77 0.00 0.00 57.85 52.65 1ibk n ARG 152 Cb 0.40 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.55 1ibk n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1ibk n LYS 153 N -0.36 0.00 -0.12 5.56 4.76 -1.13 -5.00 118.16 121.87 1ibk n LYS 153 Ca 0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1ibk n LYS 153 Cb 0.44 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 1ibk n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44