#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odw s GLN 2 N 0.00 1.99 -0.17 0.54 0.74 -1.26 -5.10 119.66 116.40 1odw s GLN 2 Ca 0.00 -1.56 -0.19 0.00 0.05 0.00 0.00 55.36 53.66 1odw s GLN 2 Cb 0.00 -3.11 -0.03 0.00 1.10 0.00 0.00 33.01 30.96 1odw s GLN 2 CO 0.00 -0.75 0.54 0.08 -0.55 0.00 0.00 175.29 174.61 1odw s VAL 3 N 1.06 5.11 0.38 1.34 1.01 -1.26 -5.07 120.40 122.97 1odw s VAL 3 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.01 1odw s VAL 3 Cb -0.20 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1odw s VAL 3 CO -0.05 0.20 0.59 0.42 0.00 0.00 0.00 175.10 176.26 1odw s THR 4 N 1.40 4.81 -0.21 3.92 -4.23 -1.26 -5.03 115.64 115.03 1odw s THR 4 Ca 0.26 -0.45 0.15 0.00 -1.18 0.00 0.00 61.69 60.47 1odw s THR 4 Cb -0.16 -3.76 0.58 0.00 1.34 0.00 0.00 72.50 70.51 1odw s THR 4 CO 0.10 -0.51 1.50 0.18 -0.54 0.00 0.00 174.62 175.36 1odw n LEU 5 N -1.87 4.34 0.05 4.79 4.77 -1.26 -4.49 117.00 123.32 1odw n LEU 5 Ca -0.03 -3.10 0.13 0.00 -0.03 0.00 0.00 56.01 52.98 1odw n LEU 5 Cb 0.57 -0.59 0.61 0.00 -2.33 0.00 0.00 43.42 41.67 1odw n LEU 5 CO 0.48 0.74 1.15 -0.50 -1.33 0.00 0.00 177.39 177.93 1odw h TRP 6 N 2.07 0.16 -2.02 -1.77 4.06 -2.04 -3.42 115.95 112.99 1odw h TRP 6 Ca 0.05 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.41 1odw h TRP 6 Cb 1.62 -0.05 -0.13 0.00 -1.00 0.00 0.00 29.16 29.59 1odw h TRP 6 CO 0.69 0.08 -0.63 -0.65 -3.56 0.00 0.00 178.44 174.37 1odw s GLN 7 N -5.17 1.83 0.32 0.49 -0.21 -1.26 -5.10 119.66 110.56 1odw s GLN 7 Ca -0.06 -1.99 -0.29 0.00 0.02 0.00 0.00 55.36 53.03 1odw s GLN 7 Cb 0.19 -1.50 -0.12 0.00 1.00 0.00 0.00 33.01 32.59 1odw s GLN 7 CO 0.72 -0.00 1.55 0.54 -2.12 0.00 0.00 175.29 175.98 1odw n ARG 8 N -0.83 2.66 -1.36 2.91 1.74 -1.26 -4.84 116.66 115.67 1odw n ARG 8 Ca -0.05 0.94 -0.38 0.00 -0.77 0.00 0.00 57.85 57.59 1odw n ARG 8 Cb 0.65 -2.70 -0.02 0.00 -1.02 0.00 0.00 32.46 29.37 1odw n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1odw n PRO 9 N 1.60 2.86 -2.87 5.56 -0.04 -1.26 -4.92 135.00 135.93 1odw n PRO 9 Ca 0.06 -2.19 -0.41 0.00 -0.04 0.00 0.00 63.50 60.92 1odw n PRO 9 Cb 0.37 -2.95 -0.04 0.00 -0.04 0.00 0.00 33.50 30.85 1odw n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1odw s LEU 10 N 1.05 4.24 0.21 1.53 1.43 -1.26 -1.73 118.68 124.15 1odw s LEU 10 Ca 0.55 1.28 0.09 0.00 -1.03 0.00 0.00 54.13 55.02 1odw s LEU 10 Cb 0.15 -3.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 1odw s LEU 10 CO -0.04 -0.33 -0.16 0.68 0.23 0.00 0.00 176.35 176.72 1odw s VAL 11 N 1.73 1.88 -0.14 -1.59 -7.23 -0.69 -4.93 120.40 109.42 1odw s VAL 11 Ca 0.41 -2.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.23 1odw s VAL 11 Cb -0.18 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 1odw s VAL 11 CO 0.16 -0.53 0.31 -0.89 -0.31 0.00 0.00 175.10 173.85 1odw s THR 12 N -2.77 5.28 0.34 5.32 2.01 -1.26 0.00 115.64 124.56 1odw s THR 12 Ca 0.23 0.59 0.09 0.00 0.31 0.00 0.00 61.69 62.92 1odw s THR 12 Cb -0.02 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 1odw s THR 12 CO 0.08 0.41 -0.03 0.27 -0.69 0.00 0.00 174.62 174.66 1odw s ILE 13 N 0.29 2.52 -0.15 1.82 -4.36 0.41 -3.40 121.20 118.33 1odw s ILE 13 Ca 0.18 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1odw s ILE 13 Cb -0.13 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.86 1odw s ILE 13 CO 0.05 -0.21 -0.14 -0.75 0.24 0.00 0.00 174.94 174.13 1odw s LYS 14 N -3.67 2.33 -0.09 0.37 2.20 -0.81 -0.68 119.74 119.38 1odw s LYS 14 Ca 0.34 -0.57 -0.04 0.00 -0.36 0.00 0.00 55.97 55.33 1odw s LYS 14 Cb 0.00 -2.12 0.05 0.00 -1.51 0.00 0.00 37.83 34.25 1odw s LYS 14 CO 0.18 -0.23 0.21 -1.50 -0.36 0.00 0.00 175.35 173.65 1odw s ILE 15 N 1.46 -0.10 -1.52 5.43 2.07 0.36 -2.43 121.20 126.48 1odw s ILE 15 Ca 0.05 0.19 -0.05 0.00 -1.41 0.00 0.00 60.65 59.42 1odw s ILE 15 Cb -0.13 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1odw s ILE 15 CO -0.10 0.08 0.57 0.61 -1.91 0.00 0.00 174.94 174.18 1odw n GLY 16 N 4.41 -0.52 2.24 1.50 0.00 -1.26 -1.00 105.19 110.56 1odw n GLY 16 Ca -0.22 0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1odw n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odw n GLY 17 N -1.45 0.83 3.41 -0.02 0.00 -1.26 -5.02 105.19 101.69 1odw n GLY 17 Ca -0.10 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.00 1odw n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1odw s GLN 18 N -2.28 2.68 -0.13 1.61 -1.52 -0.17 -5.08 119.66 114.76 1odw s GLN 18 Ca 0.00 -0.74 -0.16 0.00 -1.95 0.00 0.00 55.36 52.51 1odw s GLN 18 Cb 0.00 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 1odw s GLN 18 CO 0.00 0.50 0.39 -0.51 -0.25 0.00 0.00 175.29 175.42 1odw s LEU 19 N -0.41 4.27 0.12 2.90 1.43 -1.26 0.13 118.68 125.86 1odw s LEU 19 Ca 0.04 0.69 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1odw s LEU 19 Cb -0.12 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1odw s LEU 19 CO 0.02 0.05 0.01 -0.54 0.23 0.00 0.00 176.35 176.12 1odw s LYS 20 N 0.50 0.88 -0.12 1.70 1.02 0.14 -4.95 119.74 118.92 1odw s LYS 20 Ca 0.22 -1.40 -0.07 0.00 0.02 0.00 0.00 55.97 54.74 1odw s LYS 20 Cb -0.14 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1odw s LYS 20 CO 0.08 -0.17 0.12 -1.21 -0.92 0.00 0.00 175.35 173.25 1odw s GLU 21 N -3.96 3.44 0.05 1.68 2.02 -1.26 0.15 118.70 120.82 1odw s GLU 21 Ca 0.19 -0.17 -0.10 0.00 0.02 0.00 0.00 54.97 54.91 1odw s GLU 21 Cb 0.07 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1odw s GLU 21 CO -0.01 0.73 0.21 0.00 0.02 0.00 0.00 175.26 176.21 1odw s ALA 22 N -0.91 -0.38 0.02 5.21 0.00 0.10 -4.37 121.76 121.43 1odw s ALA 22 Ca 0.14 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 1odw s ALA 22 Cb -0.12 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.26 1odw s ALA 22 CO 0.03 -0.39 0.47 -1.17 0.00 0.00 0.00 175.76 174.70 1odw s LEU 23 N -2.22 4.48 -0.26 0.00 2.96 -0.22 -1.71 118.68 121.72 1odw s LEU 23 Ca -0.03 1.07 -0.20 0.00 -0.22 0.00 0.00 54.13 54.74 1odw s LEU 23 Cb -0.00 -2.71 -0.02 0.00 0.50 0.00 0.00 46.19 43.96 1odw s LEU 23 CO -0.05 0.28 0.62 -0.76 -1.32 0.00 0.00 176.35 175.12 1odw s LEU 24 N -0.96 4.07 -0.32 -0.68 1.43 -0.70 0.08 118.68 121.60 1odw s LEU 24 Ca 0.26 0.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 1odw s LEU 24 Cb -0.18 -2.83 0.10 0.00 0.03 0.00 0.00 46.19 43.31 1odw s LEU 24 CO 0.15 -0.37 0.07 -0.62 0.23 0.00 0.00 176.35 175.81 1odw s ASP 25 N 1.49 4.39 0.00 2.29 -1.08 -0.13 -4.80 116.67 118.83 1odw s ASP 25 Ca 0.25 -1.88 0.20 0.00 -0.52 0.00 0.00 52.55 50.60 1odw s ASP 25 Cb -0.15 -1.25 0.99 0.00 -1.46 0.00 0.00 42.92 41.05 1odw s ASP 25 CO 0.09 -0.39 1.60 0.35 0.52 0.00 0.00 175.17 177.34 1odw n THR 26 N 4.55 0.39 0.22 1.71 -2.24 -1.26 -2.28 114.28 115.37 1odw n THR 26 Ca 0.01 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 62.00 1odw n THR 26 Cb 0.42 -0.78 0.11 0.00 -2.10 0.00 0.00 70.33 67.98 1odw n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1odw h GLY 27 N 3.21 0.00 -5.97 3.38 0.00 -1.94 -3.46 103.07 98.29 1odw h GLY 27 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1odw h GLY 27 CO 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 176.54 176.13 1odw s ALA 28 N -3.27 3.68 0.04 3.60 0.00 -0.97 -4.98 121.76 119.87 1odw s ALA 28 Ca 0.04 -0.57 0.15 0.00 0.00 0.00 0.00 51.96 51.57 1odw s ALA 28 Cb 0.08 -2.23 0.25 0.00 0.00 0.00 0.00 23.12 21.22 1odw s ALA 28 CO 0.72 0.22 1.53 -0.44 0.00 0.00 0.00 175.76 177.80 1odw h ASP 29 N 6.30 0.00 -3.56 0.00 3.32 -1.88 -0.46 116.42 120.14 1odw h ASP 29 Ca -0.44 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.21 1odw h ASP 29 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1odw h ASP 29 CO 0.72 0.56 -0.70 -1.81 -1.72 0.00 0.00 179.24 176.29 1odw s ASP 30 N -6.52 2.18 -0.26 6.45 1.01 -1.26 -2.72 116.67 115.54 1odw s ASP 30 Ca 0.02 -1.09 -0.10 0.00 0.71 0.00 0.00 52.55 52.08 1odw s ASP 30 Cb 0.10 -0.07 -0.05 0.00 1.01 0.00 0.00 42.92 43.91 1odw s ASP 30 CO 0.74 -0.33 0.16 -0.89 0.21 0.00 0.00 175.17 175.05 1odw s THR 31 N -3.20 5.15 -0.16 -1.27 2.01 -1.26 -3.36 115.64 113.55 1odw s THR 31 Ca 0.23 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1odw s THR 31 Cb 0.03 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.13 1odw s THR 31 CO 0.06 0.30 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 1odw s VAL 32 N 1.44 2.12 0.17 3.82 1.01 -1.00 -1.29 120.40 126.67 1odw s VAL 32 Ca 0.07 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1odw s VAL 32 Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1odw s VAL 32 CO 0.07 0.54 -0.12 -0.76 0.00 0.00 0.00 175.10 174.83 1odw s LEU 33 N 1.08 2.89 0.96 3.92 1.43 0.46 0.78 118.68 130.20 1odw s LEU 33 Ca -0.00 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.38 1odw s LEU 33 Cb -0.14 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.49 1odw s LEU 33 CO -0.08 0.12 0.30 -0.62 0.23 0.00 0.00 176.35 176.30 1odw n GLU 34 N 0.21 -0.29 -1.72 1.70 -0.58 -1.26 -0.96 120.64 117.75 1odw n GLU 34 Ca -0.12 -0.05 -0.43 0.00 -0.42 0.00 0.00 57.16 56.15 1odw n GLU 34 Cb 0.55 -1.78 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 1odw n GLU 34 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1odw n GLU 35 N -1.36 2.63 -3.44 3.49 -0.58 -1.25 -4.47 120.64 115.66 1odw n GLU 35 Ca 0.06 0.95 -0.12 0.00 -0.42 0.00 0.00 57.16 57.62 1odw n GLU 35 Cb 0.54 -2.76 -0.02 0.00 -0.57 0.00 0.00 31.44 28.63 1odw n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1odw s MET 36 N 0.62 1.21 -0.71 3.49 0.23 -1.26 -5.04 119.30 117.84 1odw s MET 36 Ca 0.72 -0.38 -0.13 0.00 -1.03 0.00 0.00 55.69 54.87 1odw s MET 36 Cb -0.53 0.56 0.18 0.00 -1.53 0.00 0.00 34.83 33.51 1odw s MET 36 CO 0.38 -0.51 0.64 -1.54 -2.03 0.00 0.00 175.02 171.95 1odw s SER 37 N -2.55 6.42 0.28 -1.18 1.04 -1.26 -5.04 113.70 111.40 1odw s SER 37 Ca 0.00 -2.39 -0.02 0.00 0.48 0.00 0.00 55.95 54.02 1odw s SER 37 Cb -0.01 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 1odw s SER 37 CO -0.10 -0.65 0.50 -0.76 0.98 0.00 0.00 173.24 173.21 1odw s LEU 38 N 0.65 4.10 0.19 2.42 1.43 -1.26 -5.06 118.68 121.15 1odw s LEU 38 Ca 0.13 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1odw s LEU 38 Cb -0.18 -3.37 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 1odw s LEU 38 CO -0.04 -0.17 1.03 -2.84 0.23 0.00 0.00 176.35 174.56 1odw s PRO 39 N -3.66 4.68 0.00 1.29 0.02 -1.26 -4.95 135.00 131.12 1odw s PRO 39 Ca 0.41 1.62 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1odw s PRO 39 Cb -0.11 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1odw s PRO 39 CO 0.31 0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.61 1odw n GLY 40 N 1.85 1.48 3.63 0.52 0.00 -1.26 -5.04 105.19 106.38 1odw n GLY 40 Ca 0.01 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1odw n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1odw s ARG 41 N -1.33 4.15 0.34 1.61 6.06 -1.26 -5.07 118.95 123.44 1odw s ARG 41 Ca 0.00 0.74 0.09 0.00 -2.50 0.00 0.00 55.73 54.06 1odw s ARG 41 Cb 0.00 -3.65 -0.06 0.00 0.06 0.00 0.00 34.95 31.30 1odw s ARG 41 CO 0.00 -0.46 -0.10 1.67 -2.50 0.00 0.00 175.30 173.92 1odw s TRP 42 N 2.65 2.40 -0.03 5.12 1.48 -1.26 -4.60 118.94 124.70 1odw s TRP 42 Ca 0.30 -0.50 0.03 0.00 -1.06 0.00 0.00 56.10 54.88 1odw s TRP 42 Cb -0.15 -1.38 -0.00 0.00 -1.16 0.00 0.00 33.47 30.78 1odw s TRP 42 CO 0.08 0.58 -0.13 0.15 -4.06 0.00 0.00 176.95 173.57 1odw s LYS 43 N -3.61 1.32 0.65 3.25 3.01 -0.90 -4.91 119.74 118.55 1odw s LYS 43 Ca 0.32 -0.45 -0.16 0.00 -1.01 0.00 0.00 55.97 54.67 1odw s LYS 43 Cb 0.02 -1.19 -0.00 0.00 -1.01 0.00 0.00 37.83 35.65 1odw s LYS 43 CO 0.16 0.18 1.16 -1.25 0.51 0.00 0.00 175.35 176.12 1odw s PRO 44 N 0.09 2.70 0.22 -1.68 0.04 -1.26 -0.18 135.00 134.92 1odw s PRO 44 Ca -0.03 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.47 1odw s PRO 44 Cb -0.10 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1odw s PRO 44 CO 0.01 -1.38 0.53 0.21 0.04 0.00 0.00 177.00 176.41 1odw s LYS 45 N -3.78 1.46 -0.00 4.56 2.47 0.20 -4.79 119.74 119.86 1odw s LYS 45 Ca 0.72 -0.98 0.05 0.00 -1.56 0.00 0.00 55.97 54.20 1odw s LYS 45 Cb -0.26 0.51 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1odw s LYS 45 CO 0.39 -0.62 -0.16 -1.64 0.16 0.00 0.00 175.35 173.48 1odw s MET 46 N -3.92 1.24 -0.01 4.03 -1.94 -1.26 0.01 119.30 117.46 1odw s MET 46 Ca 0.13 -0.62 -0.03 0.00 -1.71 0.00 0.00 55.69 53.45 1odw s MET 46 Cb -0.01 -1.22 -0.00 0.00 2.01 0.00 0.00 34.83 35.61 1odw s MET 46 CO 0.01 0.33 0.06 0.96 -0.01 0.00 0.00 175.02 176.38 1odw s ILE 47 N -0.47 0.06 -0.01 2.53 -4.36 0.30 -4.96 121.20 114.29 1odw s ILE 47 Ca 0.06 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.00 1odw s ILE 47 Cb -0.07 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.36 1odw s ILE 47 CO -0.00 -0.25 -0.01 -0.83 0.24 0.00 0.00 174.94 174.08 1odw s GLY 48 N -0.80 1.85 0.07 6.27 0.00 -1.26 -0.74 107.32 112.70 1odw s GLY 48 Ca -0.09 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1odw s GLY 48 CO 0.00 -0.81 0.02 0.61 0.00 0.00 0.00 173.10 172.92 1odw n GLY 49 N 1.49 3.98 0.25 0.20 0.00 -0.31 -4.98 105.19 105.82 1odw n GLY 49 Ca -0.15 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.01 1odw n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1odw h ILE 50 N 1.10 0.68 -0.01 -0.61 -0.00 -2.03 -3.04 117.51 113.60 1odw h ILE 50 Ca -0.05 -0.63 0.00 0.00 -0.00 0.00 0.00 64.86 64.18 1odw h ILE 50 Cb 0.19 1.39 0.00 0.00 -0.00 0.00 0.00 36.82 38.40 1odw h ILE 50 CO 0.08 0.15 -0.28 0.61 -0.00 0.00 0.00 178.15 178.71 1odw n GLY 51 N -0.66 -0.52 0.00 0.16 0.00 -1.26 -5.06 105.19 97.85 1odw n GLY 51 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1odw n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odw n GLY 52 N 1.35 0.87 3.91 -0.02 0.00 -1.15 -5.12 105.19 105.02 1odw n GLY 52 Ca 0.12 -1.98 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 1odw n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1odw s PHE 53 N -2.23 3.49 0.08 1.61 0.40 -1.26 -1.17 117.98 118.90 1odw s PHE 53 Ca 0.00 0.45 0.03 0.00 -0.60 0.00 0.00 56.93 56.81 1odw s PHE 53 Cb 0.00 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.57 1odw s PHE 53 CO 0.00 0.47 -0.09 0.96 0.70 0.00 0.00 175.22 177.27 1odw s ILE 54 N -1.64 0.76 -0.14 0.64 -4.36 0.08 -4.95 121.20 111.60 1odw s ILE 54 Ca 0.39 -1.51 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1odw s ILE 54 Cb -0.12 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.36 1odw s ILE 54 CO 0.26 -0.56 0.23 -0.75 0.24 0.00 0.00 174.94 174.36 1odw s LYS 55 N -2.59 4.00 0.24 0.37 2.36 -1.26 -0.54 119.74 122.32 1odw s LYS 55 Ca 0.02 -0.00 0.01 0.00 -2.55 0.00 0.00 55.97 53.44 1odw s LYS 55 Cb -0.04 -3.34 -0.05 0.00 -1.05 0.00 0.00 37.83 33.35 1odw s LYS 55 CO -0.01 0.44 0.09 0.14 1.55 0.00 0.00 175.35 177.56 1odw s VAL 56 N -0.11 0.46 -0.16 4.02 -7.23 0.10 -4.41 120.40 113.08 1odw s VAL 56 Ca 0.15 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.27 1odw s VAL 56 Cb -0.13 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1odw s VAL 56 CO 0.04 -0.06 0.01 -0.13 -0.31 0.00 0.00 175.10 174.64 1odw s ARG 57 N -4.04 3.71 -0.21 4.82 0.52 -0.15 -0.63 118.95 122.97 1odw s ARG 57 Ca 0.36 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 55.01 1odw s ARG 57 Cb 0.07 -3.02 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 1odw s ARG 57 CO 0.12 0.32 0.26 -1.14 0.02 0.00 0.00 175.30 174.87 1odw s GLN 58 N 0.20 4.16 -0.13 3.54 0.74 0.75 -0.71 119.66 128.21 1odw s GLN 58 Ca 0.01 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.40 1odw s GLN 58 Cb -0.13 -3.50 0.01 0.00 1.10 0.00 0.00 33.01 30.49 1odw s GLN 58 CO 0.02 0.10 -0.19 0.71 -0.55 0.00 0.00 175.29 175.37 1odw s TYR 59 N 0.93 2.37 0.18 1.67 1.51 -0.08 -2.11 117.35 121.82 1odw s TYR 59 Ca 0.13 -1.16 0.04 0.00 -1.01 0.00 0.00 57.07 55.07 1odw s TYR 59 Cb -0.13 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1odw s TYR 59 CO 0.05 -0.55 0.28 -0.51 -1.11 0.00 0.00 175.55 173.70 1odw s ASP 60 N 0.87 6.15 -1.40 2.29 1.01 -1.26 0.41 116.67 124.74 1odw s ASP 60 Ca -0.07 0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 1odw s ASP 60 Cb -0.15 -1.79 0.01 0.00 1.01 0.00 0.00 42.92 42.00 1odw s ASP 60 CO -0.01 0.01 0.54 0.00 0.21 0.00 0.00 175.17 175.92 1odw n GLN 61 N -0.81 -3.85 -3.83 8.23 1.13 -1.19 -4.93 117.38 112.13 1odw n GLN 61 Ca -0.08 0.47 -0.36 0.00 -1.94 0.00 0.00 57.00 55.09 1odw n GLN 61 Cb 0.55 -4.79 -0.07 0.00 0.11 0.00 0.00 30.24 26.05 1odw n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1odw s ILE 62 N -3.81 5.46 -0.06 5.09 -1.09 -0.13 -4.73 121.20 121.93 1odw s ILE 62 Ca 0.07 0.20 -0.22 0.00 -2.23 0.00 0.00 60.65 58.48 1odw s ILE 62 Cb -0.04 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1odw s ILE 62 CO 0.87 0.55 0.63 -0.22 -1.23 0.00 0.00 174.94 175.53 1odw s LEU 63 N -0.48 4.34 -0.02 2.97 2.96 -1.26 -1.48 118.68 125.71 1odw s LEU 63 Ca 0.12 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 55.12 1odw s LEU 63 Cb -0.12 -2.96 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1odw s LEU 63 CO 0.02 -0.03 0.05 -0.51 -1.32 0.00 0.00 176.35 174.55 1odw s ILE 64 N 0.49 0.00 -0.24 6.68 2.07 -0.45 -4.51 121.20 125.25 1odw s ILE 64 Ca 0.33 -0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.48 1odw s ILE 64 Cb -0.17 -0.08 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1odw s ILE 64 CO 0.16 -0.02 0.06 -1.61 -1.91 0.00 0.00 174.94 171.63 1odw s GLU 65 N -0.02 3.67 -0.38 3.50 2.02 -1.02 -1.93 118.70 124.54 1odw s GLU 65 Ca -0.01 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 1odw s GLU 65 Cb -0.01 -3.30 0.10 0.00 0.10 0.00 0.00 34.13 31.03 1odw s GLU 65 CO 0.00 -0.14 0.16 0.42 0.02 0.00 0.00 175.26 175.71 1odw s ILE 66 N 1.49 3.15 -1.26 -1.63 1.01 0.12 -1.92 121.20 122.15 1odw s ILE 66 Ca 0.06 -1.97 -0.08 0.00 0.00 0.00 0.00 60.65 58.66 1odw s ILE 66 Cb -0.15 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.22 1odw s ILE 66 CO 0.03 -0.58 1.04 0.00 0.00 0.00 0.00 174.94 175.43 1odw n GLY 68 N -1.85 0.47 3.86 0.00 0.00 -1.26 -5.02 105.19 101.39 1odw n GLY 68 Ca -0.00 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 1odw n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1odw s HIS 69 N -1.79 3.52 0.03 1.61 4.02 -0.33 -5.07 115.29 117.29 1odw s HIS 69 Ca 0.00 0.44 -0.19 0.00 1.02 0.00 0.00 55.06 56.33 1odw s HIS 69 Cb 0.00 -1.89 -0.06 0.00 -1.02 0.00 0.00 32.58 29.61 1odw s HIS 69 CO 0.00 0.68 0.54 0.15 1.02 0.00 0.00 174.74 177.13 1odw s LYS 70 N -1.27 4.18 -0.04 1.40 1.02 -1.26 0.12 119.74 123.87 1odw s LYS 70 Ca 0.18 0.65 -0.06 0.00 0.02 0.00 0.00 55.97 56.77 1odw s LYS 70 Cb -0.12 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1odw s LYS 70 CO 0.08 0.56 0.15 0.00 -0.92 0.00 0.00 175.35 175.22 1odw s ALA 71 N -0.80 -0.36 -0.06 5.17 0.00 -0.81 -4.64 121.76 120.26 1odw s ALA 71 Ca 0.28 0.29 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1odw s ALA 71 Cb -0.18 -0.16 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1odw s ALA 71 CO 0.17 -0.10 0.06 0.42 0.00 0.00 0.00 175.76 176.30 1odw s ILE 72 N -0.27 -0.07 0.00 0.00 1.01 -1.26 -1.34 121.20 119.27 1odw s ILE 72 Ca -0.04 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.95 1odw s ILE 72 Cb -0.03 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1odw s ILE 72 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1odw n GLY 73 N 5.29 0.98 3.77 6.18 0.00 -0.55 -4.84 105.19 116.01 1odw n GLY 73 Ca -0.04 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 1odw n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1odw s THR 74 N -2.14 4.24 -0.03 2.61 2.01 -1.26 -0.95 115.64 120.12 1odw s THR 74 Ca 0.00 1.84 0.01 0.00 0.31 0.00 0.00 61.69 63.85 1odw s THR 74 Cb 0.00 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.37 1odw s THR 74 CO 0.00 0.39 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 1odw s VAL 75 N -1.31 0.41 -0.21 3.82 1.01 0.17 -4.61 120.40 119.69 1odw s VAL 75 Ca 0.42 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 1odw s VAL 75 Cb -0.23 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 1odw s VAL 75 CO 0.27 0.18 0.13 -0.76 0.00 0.00 0.00 175.10 174.93 1odw s LEU 76 N 0.73 4.14 -0.13 3.92 1.43 -0.41 -0.91 118.68 127.46 1odw s LEU 76 Ca -0.09 0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1odw s LEU 76 Cb -0.12 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1odw s LEU 76 CO -0.00 0.15 -0.03 -0.69 0.23 0.00 0.00 176.35 176.00 1odw s VAL 77 N 0.57 3.99 0.00 -1.59 1.01 0.11 -0.40 120.40 124.09 1odw s VAL 77 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1odw s VAL 77 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1odw s VAL 77 CO 0.00 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1odw n GLY 78 N 2.99 -0.87 3.44 4.51 0.00 -0.13 -0.97 105.19 114.17 1odw n GLY 78 Ca -0.18 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 1odw n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1odw n PRO 79 N -0.03 1.55 -4.62 1.61 -0.04 -1.26 -3.84 135.00 128.37 1odw n PRO 79 Ca 0.00 -2.27 -0.34 0.00 -0.04 0.00 0.00 63.50 60.85 1odw n PRO 79 Cb 0.00 -3.48 -0.12 0.00 -0.04 0.00 0.00 33.50 29.86 1odw n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1odw s THR 80 N 9.24 3.65 0.40 0.52 -1.32 -1.26 -5.00 115.64 121.87 1odw s THR 80 Ca 0.65 -0.49 0.37 0.00 -1.21 0.00 0.00 61.69 61.01 1odw s THR 80 Cb 0.04 -2.50 0.40 0.00 -1.51 0.00 0.00 72.50 68.92 1odw s THR 80 CO 0.14 0.58 2.16 1.55 -2.21 0.00 0.00 174.62 176.84 1odw h PRO 81 N 5.52 0.00 -3.75 7.08 0.13 -1.99 -3.43 132.00 135.57 1odw h PRO 81 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1odw h PRO 81 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1odw h PRO 81 CO 0.54 0.02 -0.48 0.14 -0.23 0.00 0.00 178.00 177.99 1odw s VAL 82 N -3.97 0.13 0.06 1.56 -7.23 -1.26 -5.09 120.40 104.60 1odw s VAL 82 Ca -0.02 -1.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1odw s VAL 82 Cb 0.11 -0.95 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 1odw s VAL 82 CO 0.50 -0.59 0.98 0.20 -0.31 0.00 0.00 175.10 175.88 1odw s ASN 83 N -2.19 7.43 -0.07 4.85 0.01 -1.26 -4.69 114.94 119.02 1odw s ASN 83 Ca -0.04 1.75 0.04 0.00 -0.71 0.00 0.00 52.86 53.90 1odw s ASN 83 Cb -0.00 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1odw s ASN 83 CO -0.05 -0.16 -0.19 0.27 -1.51 0.00 0.00 177.10 175.47 1odw s ILE 84 N 0.44 1.60 -0.29 0.60 -4.36 0.23 -1.06 121.20 118.36 1odw s ILE 84 Ca 0.49 -0.77 -0.14 0.00 -0.26 0.00 0.00 60.65 59.98 1odw s ILE 84 Cb -0.23 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.05 1odw s ILE 84 CO 0.29 0.46 0.30 -0.63 0.24 0.00 0.00 174.94 175.60 1odw s ILE 85 N 0.33 5.22 0.72 8.37 -1.09 0.11 -2.37 121.20 132.49 1odw s ILE 85 Ca -0.13 0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.60 1odw s ILE 85 Cb -0.15 -3.67 0.14 0.00 -1.58 0.00 0.00 42.46 37.19 1odw s ILE 85 CO 0.05 0.12 0.98 -0.83 -1.23 0.00 0.00 174.94 174.04 1odw s GLY 86 N 1.70 1.74 0.52 6.18 0.00 -1.21 -0.96 107.32 115.29 1odw s GLY 86 Ca 0.11 -1.93 0.23 0.00 0.00 0.00 0.00 44.72 43.12 1odw s GLY 86 CO 0.11 -1.34 2.11 3.21 0.00 0.00 0.00 173.10 177.19 1odw h ARG 87 N -0.46 0.00 -0.30 2.90 3.08 -1.15 -1.51 114.38 116.94 1odw h ARG 87 Ca -0.33 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 1odw h ARG 87 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1odw h ARG 87 CO 0.38 0.09 0.11 -2.95 -1.07 0.00 0.00 179.97 176.53 1odw h ASN 88 N 0.00 0.38 0.01 7.04 -1.07 -1.78 -1.80 115.58 118.36 1odw h ASN 88 Ca -0.00 -0.03 -0.38 0.00 0.07 0.00 0.00 56.30 55.96 1odw h ASN 88 Cb 0.19 -0.10 -0.07 0.00 -2.07 0.00 0.00 38.32 36.28 1odw h ASN 88 CO 0.01 0.36 -2.41 0.18 0.07 0.00 0.00 177.43 175.64 1odw n LEU 89 N -4.40 1.08 0.18 6.14 4.32 -1.06 -4.32 117.00 118.94 1odw n LEU 89 Ca 0.01 -0.04 0.04 0.00 -0.02 0.00 0.00 56.01 56.01 1odw n LEU 89 Cb 0.14 -0.01 0.47 0.00 -1.62 0.00 0.00 43.42 42.40 1odw n LEU 89 CO 0.36 0.66 0.93 -0.07 -1.22 0.00 0.00 177.39 178.05 1odw h LEU 90 N 0.00 0.11 -0.66 2.23 3.38 -1.17 -2.56 115.31 116.64 1odw h LEU 90 Ca -0.56 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.25 1odw h LEU 90 Cb 2.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.83 1odw h LEU 90 CO -0.01 0.24 -0.62 0.71 0.09 0.00 0.00 178.44 178.85 1odw h THR 91 N 0.12 1.41 -0.74 0.22 1.35 -1.52 -2.84 112.91 110.90 1odw h THR 91 Ca 0.02 -2.05 -0.03 0.00 -0.55 0.00 0.00 66.41 63.80 1odw h THR 91 Cb 0.28 2.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.73 1odw h THR 91 CO 0.02 0.60 0.33 1.56 -0.25 0.00 0.00 175.52 177.78 1odw h GLN 92 N 0.13 1.09 -0.14 4.72 4.20 -1.68 -2.67 115.11 120.76 1odw h GLN 92 Ca -0.01 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1odw h GLN 92 Cb 1.12 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.72 1odw h GLN 92 CO 0.09 0.87 0.00 0.44 -0.67 0.00 0.00 178.83 179.56 1odw n ILE 93 N -4.37 0.18 -2.43 2.54 -5.35 -0.99 -4.96 119.36 103.97 1odw n ILE 93 Ca 0.06 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 62.16 1odw n ILE 93 Cb 0.16 0.21 0.01 0.00 -1.74 0.00 0.00 39.64 38.27 1odw n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1odw n GLY 94 N 1.04 0.02 3.75 3.28 0.00 -1.01 -5.02 105.19 107.26 1odw n GLY 94 Ca 0.15 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1odw n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odw s THR 96 N -1.06 0.64 -0.17 0.00 -4.23 -1.26 -4.83 115.64 104.73 1odw s THR 96 Ca 0.43 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.90 1odw s THR 96 Cb -0.29 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 1odw s THR 96 CO 0.37 -0.49 0.09 -0.76 -0.54 0.00 0.00 174.62 173.29 1odw s LEU 97 N -3.16 4.03 0.02 4.79 1.43 -1.26 -5.10 118.68 119.43 1odw s LEU 97 Ca 0.23 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 1odw s LEU 97 Cb 0.06 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1odw s LEU 97 CO 0.03 0.24 -0.13 0.20 0.23 0.00 0.00 176.35 176.93 1odw s ASN 98 N -0.04 1.55 0.00 2.29 0.01 -1.26 -5.30 114.94 112.19 1odw s ASN 98 Ca 0.08 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 1odw s ASN 98 Cb -0.12 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.43 1odw s ASN 98 CO 0.00 0.06 0.00 2.22 -1.51 0.00 0.00 177.10 177.88