#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hih s GLN 2 N 0.00 3.23 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.59 1hih s GLN 2 Ca 0.00 -0.74 -0.08 0.00 0.05 0.00 0.00 55.36 54.59 1hih s GLN 2 Cb 0.00 -3.20 -0.04 0.00 1.10 0.00 0.00 33.01 30.87 1hih s GLN 2 CO 0.00 -0.32 0.08 0.42 -0.55 0.00 0.00 175.29 174.92 1hih s ILE 3 N 1.49 4.58 0.62 -2.34 1.01 -1.26 -5.10 121.20 120.21 1hih s ILE 3 Ca 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1hih s ILE 3 Cb -0.16 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.22 1hih s ILE 3 CO -0.00 0.36 0.91 0.42 0.00 0.00 0.00 174.94 176.63 1hih s THR 4 N 1.25 2.93 -0.19 2.92 -4.23 -1.26 -5.04 115.64 112.01 1hih s THR 4 Ca 0.05 -0.27 0.14 0.00 -1.18 0.00 0.00 61.69 60.44 1hih s THR 4 Cb -0.14 -3.18 0.41 0.00 1.34 0.00 0.00 72.50 70.92 1hih s THR 4 CO 0.04 -0.18 1.28 0.18 -0.54 0.00 0.00 174.62 175.40 1hih n LEU 5 N -2.64 3.09 0.26 4.79 4.77 -1.26 -4.53 117.00 121.48 1hih n LEU 5 Ca 0.06 -3.45 0.15 0.00 -0.03 0.00 0.00 56.01 52.74 1hih n LEU 5 Cb 0.59 -0.52 0.68 0.00 -2.33 0.00 0.00 43.42 41.84 1hih n LEU 5 CO 0.51 1.01 0.95 -0.50 -1.33 0.00 0.00 177.39 178.03 1hih h TRP 6 N 0.80 0.00 -3.21 -1.77 4.06 -2.06 -3.43 115.95 110.34 1hih h TRP 6 Ca 0.05 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.60 1hih h TRP 6 Cb 1.22 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.23 1hih h TRP 6 CO 0.51 0.10 -0.66 -0.65 -3.56 0.00 0.00 178.44 174.18 1hih s GLN 7 N -3.83 1.38 0.30 0.49 -0.21 -1.26 -5.10 119.66 111.43 1hih s GLN 7 Ca -0.01 -1.70 -0.30 0.00 0.02 0.00 0.00 55.36 53.37 1hih s GLN 7 Cb 0.11 -0.69 -0.12 0.00 1.00 0.00 0.00 33.01 33.31 1hih s GLN 7 CO 0.57 -0.09 1.51 0.54 -2.12 0.00 0.00 175.29 175.70 1hih n ARG 8 N -0.45 2.51 -2.21 2.91 1.74 -1.26 -4.83 116.66 115.06 1hih n ARG 8 Ca -0.05 0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 57.49 1hih n ARG 8 Cb 0.64 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.46 1hih n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hih n PRO 9 N 1.72 3.06 -3.14 5.56 -0.04 -1.26 -4.94 135.00 135.96 1hih n PRO 9 Ca 0.08 -3.00 -0.39 0.00 -0.04 0.00 0.00 63.50 60.15 1hih n PRO 9 Cb 0.36 -3.39 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 1hih n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hih s LEU 10 N 3.23 4.34 0.26 1.53 1.43 -1.26 -1.81 118.68 126.40 1hih s LEU 10 Ca 0.51 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1hih s LEU 10 Cb 0.08 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 43.28 1hih s LEU 10 CO 0.00 -0.03 0.01 0.68 0.23 0.00 0.00 176.35 177.25 1hih s VAL 11 N 0.46 1.10 -0.07 -1.59 -7.23 0.49 -4.91 120.40 108.65 1hih s VAL 11 Ca 0.34 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.31 1hih s VAL 11 Cb -0.17 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 1hih s VAL 11 CO 0.17 -0.21 0.44 -0.89 -0.31 0.00 0.00 175.10 174.29 1hih s THR 12 N -3.37 5.11 0.20 5.32 2.01 -1.26 -0.94 115.64 122.70 1hih s THR 12 Ca 0.31 0.89 0.09 0.00 0.31 0.00 0.00 61.69 63.29 1hih s THR 12 Cb 0.06 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1hih s THR 12 CO 0.11 0.44 -0.17 0.27 -0.69 0.00 0.00 174.62 174.58 1hih s ILE 13 N -0.13 1.89 -0.12 1.82 -4.36 0.75 -3.53 121.20 117.51 1hih s ILE 13 Ca 0.24 -2.11 0.02 0.00 -0.26 0.00 0.00 60.65 58.55 1hih s ILE 13 Cb -0.16 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.57 1hih s ILE 13 CO 0.11 -0.44 -0.18 -0.75 0.24 0.00 0.00 174.94 173.92 1hih s LYS 14 N -3.24 2.56 -0.14 0.37 2.20 0.00 -0.86 119.74 120.63 1hih s LYS 14 Ca 0.21 -0.68 -0.09 0.00 -0.36 0.00 0.00 55.97 55.04 1hih s LYS 14 Cb -0.04 -2.12 0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1hih s LYS 14 CO 0.08 -0.05 0.34 -1.50 -0.36 0.00 0.00 175.35 173.86 1hih s ILE 15 N 0.92 -0.02 -1.76 5.43 2.07 -0.20 -1.45 121.20 126.19 1hih s ILE 15 Ca -0.07 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1hih s ILE 15 Cb -0.15 -0.50 0.00 0.00 0.13 0.00 0.00 42.46 41.94 1hih s ILE 15 CO -0.02 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 1hih n GLY 16 N 3.76 -0.47 2.48 1.50 0.00 -1.26 -0.65 105.19 110.56 1hih n GLY 16 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1hih n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hih n GLY 17 N -1.02 0.32 3.61 -0.02 0.00 -1.26 -5.00 105.19 101.82 1hih n GLY 17 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1hih n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hih s GLN 18 N -0.79 2.47 -0.04 1.61 -1.52 0.18 -5.11 119.66 116.47 1hih s GLN 18 Ca 0.00 -0.80 -0.15 0.00 -1.95 0.00 0.00 55.36 52.46 1hih s GLN 18 Cb 0.00 -2.47 -0.05 0.00 -0.22 0.00 0.00 33.01 30.26 1hih s GLN 18 CO 0.00 0.57 0.39 -0.51 -0.25 0.00 0.00 175.29 175.49 1hih s LEU 19 N -1.75 4.42 0.07 2.90 1.43 -1.26 -1.03 118.68 123.47 1hih s LEU 19 Ca 0.20 0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.08 1hih s LEU 19 Cb -0.11 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.56 1hih s LEU 19 CO 0.11 0.27 0.20 -0.54 0.23 0.00 0.00 176.35 176.61 1hih s LYS 20 N -0.72 0.80 -0.10 1.70 1.02 -0.04 -4.96 119.74 117.44 1hih s LYS 20 Ca 0.23 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.25 1hih s LYS 20 Cb -0.16 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.43 1hih s LYS 20 CO 0.12 -0.25 0.26 -1.21 -0.92 0.00 0.00 175.35 173.34 1hih s GLU 21 N -3.47 3.85 0.04 1.68 2.02 -1.26 -0.18 118.70 121.39 1hih s GLU 21 Ca 0.02 0.08 -0.07 0.00 0.02 0.00 0.00 54.97 55.01 1hih s GLU 21 Cb 0.03 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.98 1hih s GLU 21 CO -0.09 0.58 0.14 0.00 0.02 0.00 0.00 175.26 175.91 1hih s ALA 22 N -0.54 -0.19 -0.13 5.21 0.00 -0.11 -4.37 121.76 121.62 1hih s ALA 22 Ca 0.17 -0.47 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1hih s ALA 22 Cb -0.14 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 1hih s ALA 22 CO 0.06 -0.36 0.31 -1.17 0.00 0.00 0.00 175.76 174.61 1hih s LEU 23 N -2.21 4.29 -0.45 0.00 2.96 0.52 -0.38 118.68 123.42 1hih s LEU 23 Ca -0.04 0.59 -0.26 0.00 -0.22 0.00 0.00 54.13 54.20 1hih s LEU 23 Cb -0.00 -2.40 0.03 0.00 0.50 0.00 0.00 46.19 44.31 1hih s LEU 23 CO -0.05 0.14 0.96 -0.76 -1.32 0.00 0.00 176.35 175.32 1hih s LEU 24 N 0.16 3.95 -0.34 -0.68 1.43 -0.75 -0.39 118.68 122.07 1hih s LEU 24 Ca 0.18 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1hih s LEU 24 Cb -0.14 -3.26 0.10 0.00 0.03 0.00 0.00 46.19 42.92 1hih s LEU 24 CO 0.06 -1.06 0.05 -0.62 0.23 0.00 0.00 176.35 175.01 1hih s ASP 25 N 2.24 4.78 0.00 2.29 2.15 -0.32 -4.81 116.67 123.01 1hih s ASP 25 Ca 0.39 -2.04 0.20 0.00 0.43 0.00 0.00 52.55 51.53 1hih s ASP 25 Cb -0.10 -1.64 0.88 0.00 -0.30 0.00 0.00 42.92 41.76 1hih s ASP 25 CO 0.26 -0.37 1.65 0.35 -0.17 0.00 0.00 175.17 176.89 1hih n THR 26 N 4.31 0.59 1.05 1.71 -2.24 -1.26 -2.41 114.28 116.04 1hih n THR 26 Ca 0.01 0.15 0.10 0.00 -2.27 0.00 0.00 64.05 62.04 1hih n THR 26 Cb 0.42 -0.80 0.33 0.00 -2.10 0.00 0.00 70.33 68.18 1hih n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hih n GLY 27 N 0.58 0.54 3.38 3.38 0.00 -1.26 -4.85 105.19 106.96 1hih n GLY 27 Ca 0.05 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1hih n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hih s ALA 28 N -1.72 2.62 0.15 4.61 0.00 -1.01 -5.00 121.76 121.42 1hih s ALA 28 Ca 0.32 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1hih s ALA 28 Cb 0.18 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1hih s ALA 28 CO 0.26 0.27 1.35 -0.44 0.00 0.00 0.00 175.76 177.21 1hih h ASP 29 N 6.60 0.27 -1.79 0.00 3.32 -1.88 0.50 116.42 123.44 1hih h ASP 29 Ca -0.27 -0.23 -0.60 0.00 0.02 0.00 0.00 57.03 55.95 1hih h ASP 29 Cb 1.21 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 40.56 1hih h ASP 29 CO 0.55 1.04 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.70 1hih s ASP 30 N -6.94 4.02 -0.26 6.45 1.01 -1.26 -3.16 116.67 116.53 1hih s ASP 30 Ca -0.03 -1.18 -0.10 0.00 0.71 0.00 0.00 52.55 51.95 1hih s ASP 30 Cb 0.10 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 1hih s ASP 30 CO 0.83 -0.35 0.15 -0.89 0.21 0.00 0.00 175.17 175.12 1hih s THR 31 N -2.62 5.07 -0.12 -1.27 2.01 -1.26 -3.17 115.64 114.28 1hih s THR 31 Ca 0.35 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1hih s THR 31 Cb 0.04 -3.39 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1hih s THR 31 CO 0.19 0.31 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 1hih s VAL 32 N 1.46 1.48 0.25 3.82 1.01 -0.73 -0.90 120.40 126.79 1hih s VAL 32 Ca 0.07 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.53 1hih s VAL 32 Cb -0.15 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1hih s VAL 32 CO 0.07 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.82 1hih s LEU 33 N 1.19 3.13 0.82 3.92 1.02 0.08 -0.16 118.68 128.69 1hih s LEU 33 Ca -0.02 -0.64 -0.11 0.00 0.02 0.00 0.00 54.13 53.38 1hih s LEU 33 Cb -0.14 -1.69 0.09 0.00 0.02 0.00 0.00 46.19 44.47 1hih s LEU 33 CO -0.05 0.02 1.12 -1.61 0.02 0.00 0.00 176.35 175.86 1hih s GLU 34 N -3.49 1.80 0.12 1.70 2.02 -1.26 -1.60 118.70 117.99 1hih s GLU 34 Ca 0.30 1.36 -0.35 0.00 0.02 0.00 0.00 54.97 56.30 1hih s GLU 34 Cb -0.07 -1.83 -0.16 0.00 0.10 0.00 0.00 34.13 32.17 1hih s GLU 34 CO 0.19 -2.02 1.21 0.39 0.02 0.00 0.00 175.26 175.04 1hih n GLU 35 N -3.70 1.03 -3.59 1.61 -0.58 -1.20 -4.53 120.64 109.67 1hih n GLU 35 Ca 0.10 0.37 -0.08 0.00 -0.42 0.00 0.00 57.16 57.13 1hih n GLU 35 Cb 0.52 -1.91 -0.05 0.00 -0.57 0.00 0.00 31.44 29.44 1hih n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hih s MET 36 N -0.03 0.46 -0.00 3.49 0.23 -1.26 -5.02 119.30 117.17 1hih s MET 36 Ca 0.79 0.12 -0.22 0.00 -1.03 0.00 0.00 55.69 55.35 1hih s MET 36 Cb -0.93 0.22 -0.05 0.00 -1.53 0.00 0.00 34.83 32.54 1hih s MET 36 CO 0.51 -0.14 0.65 -1.54 -2.03 0.00 0.00 175.02 172.47 1hih s SER 37 N -1.06 7.03 0.14 -1.18 1.04 -1.26 -5.03 113.70 113.38 1hih s SER 37 Ca 0.01 1.23 0.07 0.00 0.48 0.00 0.00 55.95 57.75 1hih s SER 37 Cb -0.01 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.68 1hih s SER 37 CO -0.01 0.05 -0.17 -0.76 0.98 0.00 0.00 173.24 173.33 1hih s LEU 38 N -0.02 2.41 0.46 2.42 1.43 -1.26 -5.05 118.68 119.07 1hih s LEU 38 Ca 0.34 -0.82 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 1hih s LEU 38 Cb -0.19 -0.71 -0.09 0.00 0.03 0.00 0.00 46.19 45.23 1hih s LEU 38 CO 0.19 -0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.58 1hih s PRO 39 N -2.65 3.93 0.00 1.29 0.04 -1.26 -4.93 135.00 131.41 1hih s PRO 39 Ca 0.12 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1hih s PRO 39 Cb -0.06 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1hih s PRO 39 CO 0.05 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1hih n GLY 40 N -0.06 1.95 3.75 0.56 0.00 -1.26 -4.99 105.19 105.13 1hih n GLY 40 Ca 0.08 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1hih n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1hih s ARG 41 N -2.30 4.83 0.26 1.61 1.70 -1.26 -5.06 118.95 118.72 1hih s ARG 41 Ca 0.00 1.50 0.09 0.00 -0.47 0.00 0.00 55.73 56.85 1hih s ARG 41 Cb 0.00 -3.29 -0.05 0.00 -0.57 0.00 0.00 34.95 31.04 1hih s ARG 41 CO 0.00 0.46 -0.15 1.67 -1.08 0.00 0.00 175.30 176.20 1hih s TRP 42 N -1.02 2.02 0.05 5.89 1.48 -1.26 -4.60 118.94 121.51 1hih s TRP 42 Ca 0.42 -0.49 0.04 0.00 -1.06 0.00 0.00 56.10 55.00 1hih s TRP 42 Cb -0.26 -0.97 -0.02 0.00 -1.16 0.00 0.00 33.47 31.06 1hih s TRP 42 CO 0.32 0.50 -0.12 -1.59 -4.06 0.00 0.00 176.95 172.01 1hih s LYS 43 N -3.60 0.73 0.47 3.25 -2.85 -0.85 -4.88 119.74 112.01 1hih s LYS 43 Ca 0.27 -0.79 -0.23 0.00 -1.00 0.00 0.00 55.97 54.22 1hih s LYS 43 Cb -0.01 -0.67 -0.07 0.00 -2.06 0.00 0.00 37.83 35.02 1hih s LYS 43 CO 0.11 0.15 1.27 -1.25 0.10 0.00 0.00 175.35 175.74 1hih s PRO 44 N -1.41 3.62 0.15 1.78 0.04 -1.26 -0.28 135.00 137.64 1hih s PRO 44 Ca -0.03 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 1hih s PRO 44 Cb -0.09 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 32.03 1hih s PRO 44 CO 0.01 -0.74 0.47 0.21 0.04 0.00 0.00 177.00 176.99 1hih s LYS 45 N -2.62 1.17 -0.03 4.56 2.20 -0.68 -4.85 119.74 119.49 1hih s LYS 45 Ca 0.64 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 1hih s LYS 45 Cb -0.35 0.51 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1hih s LYS 45 CO 0.43 -0.48 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.12 1hih s MET 46 N -3.80 1.68 0.06 4.03 -1.94 -1.26 -0.52 119.30 117.55 1hih s MET 46 Ca 0.04 -0.66 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1hih s MET 46 Cb 0.01 -1.54 -0.03 0.00 2.01 0.00 0.00 34.83 35.27 1hih s MET 46 CO -0.11 0.34 -0.11 0.96 -0.01 0.00 0.00 175.02 176.10 1hih s ILE 47 N -0.24 0.83 0.34 2.53 -5.25 -0.83 -4.95 121.20 113.63 1hih s ILE 47 Ca 0.02 -1.22 0.07 0.00 -0.99 0.00 0.00 60.65 58.53 1hih s ILE 47 Cb -0.09 -0.87 -0.07 0.00 2.95 0.00 0.00 42.46 44.38 1hih s ILE 47 CO 0.01 -0.32 -0.02 -0.83 -1.79 0.00 0.00 174.94 171.99 1hih s GLY 48 N -1.71 2.16 0.00 6.27 0.00 -1.26 -0.73 107.32 112.05 1hih s GLY 48 Ca -0.05 -2.10 0.00 0.00 0.00 0.00 0.00 44.72 42.57 1hih s GLY 48 CO 0.01 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.77 1hih n GLY 49 N -0.76 2.27 3.74 0.20 0.00 -0.57 -4.99 105.19 105.07 1hih n GLY 49 Ca -0.04 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 1hih n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hih s ILE 50 N -1.97 2.98 0.00 -0.61 -1.09 -1.26 -2.75 121.20 116.50 1hih s ILE 50 Ca 0.00 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.21 1hih s ILE 50 Cb 0.00 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1hih s ILE 50 CO 0.00 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1hih n GLY 51 N 2.54 3.00 0.00 6.18 0.00 -1.26 -4.95 105.19 110.69 1hih n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1hih n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hih n GLY 52 N -2.00 0.71 3.72 -0.02 0.00 -1.11 -5.11 105.19 101.38 1hih n GLY 52 Ca 0.00 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1hih n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hih s PHE 53 N -2.53 3.10 0.10 1.61 0.40 -1.26 -1.52 117.98 117.88 1hih s PHE 53 Ca 0.00 0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 1hih s PHE 53 Cb 0.00 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1hih s PHE 53 CO 0.00 0.49 -0.16 0.96 0.70 0.00 0.00 175.22 177.21 1hih s ILE 54 N -1.23 1.38 0.02 0.64 -4.36 0.09 -4.96 121.20 112.79 1hih s ILE 54 Ca 0.24 -1.52 -0.21 0.00 -0.26 0.00 0.00 60.65 58.90 1hih s ILE 54 Cb -0.12 -1.37 -0.06 0.00 1.25 0.00 0.00 42.46 42.16 1hih s ILE 54 CO 0.16 -0.24 0.60 -0.75 0.24 0.00 0.00 174.94 174.95 1hih s LYS 55 N -2.10 4.30 0.17 0.37 2.47 -1.26 -1.96 119.74 121.74 1hih s LYS 55 Ca 0.04 0.76 -0.00 0.00 -1.56 0.00 0.00 55.97 55.22 1hih s LYS 55 Cb -0.08 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 32.93 1hih s LYS 55 CO 0.03 0.44 0.06 0.14 0.16 0.00 0.00 175.35 176.19 1hih s VAL 56 N -0.46 0.28 -0.18 4.02 -7.23 0.32 -4.36 120.40 112.80 1hih s VAL 56 Ca 0.31 -1.96 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1hih s VAL 56 Cb -0.19 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1hih s VAL 56 CO 0.18 -0.31 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.51 1hih s ARG 57 N -4.04 3.64 -0.25 4.82 0.52 0.74 -1.68 118.95 122.71 1hih s ARG 57 Ca 0.29 -0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 54.84 1hih s ARG 57 Cb 0.07 -3.00 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 1hih s ARG 57 CO 0.06 0.12 0.35 -1.14 0.02 0.00 0.00 175.30 174.70 1hih s GLN 58 N 0.70 4.06 -0.14 3.54 0.74 0.62 -0.82 119.66 128.36 1hih s GLN 58 Ca -0.01 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.44 1hih s GLN 58 Cb -0.14 -3.61 -0.00 0.00 1.10 0.00 0.00 33.01 30.35 1hih s GLN 58 CO 0.02 -0.17 -0.17 0.71 -0.55 0.00 0.00 175.29 175.13 1hih s TYR 59 N 1.73 2.74 0.23 1.67 1.51 0.06 -2.01 117.35 123.29 1hih s TYR 59 Ca 0.15 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 1hih s TYR 59 Cb -0.15 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 1hih s TYR 59 CO 0.09 -0.43 0.40 -0.51 -1.11 0.00 0.00 175.55 174.00 1hih s ASP 60 N 0.64 6.36 -1.39 2.29 1.01 -1.26 -0.29 116.67 124.02 1hih s ASP 60 Ca -0.09 0.33 -0.01 0.00 0.71 0.00 0.00 52.55 53.50 1hih s ASP 60 Cb -0.16 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 41.79 1hih s ASP 60 CO 0.02 -0.08 0.45 0.00 0.21 0.00 0.00 175.17 175.77 1hih n GLN 61 N -0.97 -3.39 -3.59 8.23 6.02 -0.87 -4.89 117.38 117.92 1hih n GLN 61 Ca -0.06 0.42 -0.38 0.00 -0.01 0.00 0.00 57.00 56.98 1hih n GLN 61 Cb 0.55 -4.57 -0.06 0.00 1.02 0.00 0.00 30.24 27.17 1hih n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hih s ILE 62 N -3.92 5.15 -0.06 5.09 -1.09 0.13 -4.73 121.20 121.76 1hih s ILE 62 Ca 0.01 0.69 -0.21 0.00 -2.23 0.00 0.00 60.65 58.91 1hih s ILE 62 Cb -0.00 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 1hih s ILE 62 CO 0.88 0.59 0.60 -0.22 -1.23 0.00 0.00 174.94 175.56 1hih s LEU 63 N -1.04 4.34 -0.03 2.97 2.96 -1.26 -1.08 118.68 125.54 1hih s LEU 63 Ca 0.22 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 1hih s LEU 63 Cb -0.16 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1hih s LEU 63 CO 0.11 -0.01 0.08 -0.51 -1.32 0.00 0.00 176.35 174.70 1hih s ILE 64 N 0.44 0.00 -0.17 6.68 2.07 0.48 -4.53 121.20 126.17 1hih s ILE 64 Ca 0.32 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.53 1hih s ILE 64 Cb -0.17 -0.12 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1hih s ILE 64 CO 0.16 -0.00 -0.05 -1.61 -1.91 0.00 0.00 174.94 171.53 1hih s GLU 65 N 0.04 3.55 -0.29 3.50 2.02 -0.53 -0.41 118.70 126.58 1hih s GLU 65 Ca -0.00 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.45 1hih s GLU 65 Cb -0.01 -2.91 0.08 0.00 0.10 0.00 0.00 34.13 31.39 1hih s GLU 65 CO 0.00 0.11 -0.04 0.42 0.02 0.00 0.00 175.26 175.77 1hih s ILE 66 N 0.68 2.16 -1.51 -1.63 1.01 -0.10 -0.82 121.20 121.00 1hih s ILE 66 Ca -0.03 -1.89 -0.13 0.00 0.00 0.00 0.00 60.65 58.60 1hih s ILE 66 Cb -0.15 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 39.99 1hih s ILE 66 CO 0.02 -0.27 1.02 0.00 0.00 0.00 0.00 174.94 175.72 1hih n GLY 68 N -1.75 0.85 3.59 0.00 0.00 -1.26 -5.02 105.19 101.60 1hih n GLY 68 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1hih n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hih s HIS 69 N -3.34 3.19 0.14 1.61 4.02 0.09 -5.08 115.29 115.90 1hih s HIS 69 Ca 0.00 -0.04 -0.28 0.00 1.02 0.00 0.00 55.06 55.76 1hih s HIS 69 Cb 0.00 -2.07 -0.07 0.00 -1.02 0.00 0.00 32.58 29.42 1hih s HIS 69 CO 0.00 0.07 0.87 0.15 1.02 0.00 0.00 174.74 176.85 1hih s LYS 70 N 0.49 4.66 0.00 1.40 1.02 -1.26 -0.93 119.74 125.12 1hih s LYS 70 Ca 0.02 1.30 0.02 0.00 0.02 0.00 0.00 55.97 57.33 1hih s LYS 70 Cb -0.13 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1hih s LYS 70 CO 0.01 0.38 -0.07 0.00 -0.92 0.00 0.00 175.35 174.75 1hih s ALA 71 N -0.53 0.58 -0.17 5.17 0.00 0.45 -4.84 121.76 122.42 1hih s ALA 71 Ca 0.41 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 52.01 1hih s ALA 71 Cb -0.23 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.81 1hih s ALA 71 CO 0.28 0.12 -0.05 0.42 0.00 0.00 0.00 175.76 176.53 1hih s ILE 72 N -0.30 1.12 0.00 0.00 1.01 -1.26 -0.39 121.20 121.38 1hih s ILE 72 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1hih s ILE 72 Cb -0.03 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1hih s ILE 72 CO -0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1hih n GLY 73 N 4.87 1.93 3.74 6.18 0.00 -0.24 -4.85 105.19 116.82 1hih n GLY 73 Ca -0.12 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1hih n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hih s THR 74 N -2.64 4.92 -0.06 2.61 2.01 -1.26 0.17 115.64 121.39 1hih s THR 74 Ca 0.00 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.47 1hih s THR 74 Cb 0.00 -4.03 0.01 0.00 0.01 0.00 0.00 72.50 68.48 1hih s THR 74 CO 0.00 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 1hih s VAL 75 N 0.28 1.21 -0.07 3.82 1.01 0.60 -4.57 120.40 122.67 1hih s VAL 75 Ca 0.36 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1hih s VAL 75 Cb -0.19 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1hih s VAL 75 CO 0.19 0.37 0.10 -0.76 0.00 0.00 0.00 175.10 175.00 1hih s LEU 76 N 0.49 4.11 -0.08 3.92 1.43 -0.07 -0.76 118.68 127.72 1hih s LEU 76 Ca -0.12 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1hih s LEU 76 Cb -0.15 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1hih s LEU 76 CO 0.03 0.35 -0.17 -0.69 0.23 0.00 0.00 176.35 176.11 1hih s VAL 77 N -1.08 1.51 0.00 -1.59 1.01 -0.00 -0.74 120.40 119.51 1hih s VAL 77 Ca 0.18 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1hih s VAL 77 Cb -0.12 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1hih s VAL 77 CO 0.08 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1hih n GLY 78 N 3.65 0.75 2.66 4.51 0.00 -0.63 -0.19 105.19 115.94 1hih n GLY 78 Ca -0.21 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.66 1hih n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hih n PRO 79 N 0.00 2.76 -3.37 1.61 -0.04 -1.26 -3.27 135.00 131.44 1hih n PRO 79 Ca 0.00 -2.20 -0.36 0.00 -0.04 0.00 0.00 63.50 60.89 1hih n PRO 79 Cb 0.00 -2.97 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 1hih n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hih s THR 80 N 3.24 4.86 0.25 0.52 -1.32 -1.26 -4.97 115.64 116.96 1hih s THR 80 Ca 0.54 0.91 0.30 0.00 -1.21 0.00 0.00 61.69 62.23 1hih s THR 80 Cb 0.15 -3.77 0.32 0.00 -1.51 0.00 0.00 72.50 67.68 1hih s THR 80 CO -0.04 0.37 1.99 1.55 -2.21 0.00 0.00 174.62 176.29 1hih h PRO 81 N 3.98 0.00 -3.60 7.08 0.13 -1.98 -3.45 132.00 134.15 1hih h PRO 81 Ca -0.49 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.50 1hih h PRO 81 Cb 1.20 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.14 1hih h PRO 81 CO 0.65 0.11 -0.48 0.54 -0.23 0.00 0.00 178.00 178.59 1hih s VAL 82 N -3.85 0.10 0.06 1.56 0.11 -1.26 -5.10 120.40 112.02 1hih s VAL 82 Ca -0.01 -0.85 -0.31 0.00 -2.93 0.00 0.00 61.98 57.89 1hih s VAL 82 Cb 0.11 -0.66 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 1hih s VAL 82 CO 0.57 -0.47 1.33 0.20 -3.33 0.00 0.00 175.10 173.40 1hih s ASN 83 N -1.74 6.92 -0.09 3.54 0.01 -1.26 -4.76 114.94 117.55 1hih s ASN 83 Ca -0.10 2.16 0.04 0.00 -0.71 0.00 0.00 52.86 54.25 1hih s ASN 83 Cb -0.04 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1hih s ASN 83 CO -0.01 -0.61 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.12 1hih s ILE 84 N 1.44 1.87 -0.33 0.60 1.01 0.78 -0.35 121.20 126.21 1hih s ILE 84 Ca 0.62 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1hih s ILE 84 Cb -0.33 -1.62 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1hih s ILE 84 CO 0.29 0.52 0.17 -0.63 0.00 0.00 0.00 174.94 175.28 1hih s ILE 85 N 0.42 4.52 0.43 2.92 -1.09 0.48 -1.78 121.20 127.11 1hih s ILE 85 Ca -0.18 -0.62 0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1hih s ILE 85 Cb -0.18 -3.40 0.08 0.00 -1.58 0.00 0.00 42.46 37.39 1hih s ILE 85 CO 0.08 -0.05 0.60 0.61 -1.23 0.00 0.00 174.94 174.94 1hih n GLY 86 N 4.97 0.92 0.34 6.18 0.00 -1.19 -1.17 105.19 115.24 1hih n GLY 86 Ca -0.13 -2.04 0.16 0.00 0.00 0.00 0.00 46.02 44.02 1hih n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hih h ARG 87 N 0.00 0.00 -0.24 1.61 3.08 -0.99 -2.19 114.38 115.65 1hih h ARG 87 Ca -0.20 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 1hih h ARG 87 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1hih h ARG 87 CO 0.22 0.00 0.15 -2.95 -1.07 0.00 0.00 179.97 176.32 1hih h ASN 88 N 0.00 0.28 0.00 7.04 -1.07 -1.81 -2.52 115.58 117.51 1hih h ASN 88 Ca 0.15 -0.01 -0.14 0.00 0.07 0.00 0.00 56.30 56.37 1hih h ASN 88 Cb 0.65 -0.07 -0.03 0.00 -2.07 0.00 0.00 38.32 36.81 1hih h ASN 88 CO -0.00 0.22 -2.04 0.18 0.07 0.00 0.00 177.43 175.86 1hih n LEU 89 N -4.49 0.00 0.20 6.14 4.77 -0.87 -4.13 117.00 118.62 1hih n LEU 89 Ca 0.01 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.02 1hih n LEU 89 Cb 0.08 0.19 0.41 0.00 -2.33 0.00 0.00 43.42 41.77 1hih n LEU 89 CO 0.35 0.19 0.78 -0.07 -1.33 0.00 0.00 177.39 177.31 1hih h LEU 90 N 0.00 0.00 -0.52 2.23 3.38 -1.25 -2.42 115.31 116.73 1hih h LEU 90 Ca -0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 1hih h LEU 90 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1hih h LEU 90 CO 0.01 0.31 -0.57 0.71 0.09 0.00 0.00 178.44 178.99 1hih h THR 91 N 0.00 1.33 -0.06 0.22 1.35 -1.63 -1.44 112.91 112.68 1hih h THR 91 Ca -0.00 -1.85 -0.05 0.00 -0.55 0.00 0.00 66.41 63.96 1hih h THR 91 Cb 0.56 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1hih h THR 91 CO 0.04 0.57 -0.19 1.56 -0.25 0.00 0.00 175.52 177.25 1hih h GLN 92 N 0.39 0.10 -0.20 4.72 4.20 -1.60 -2.13 115.11 120.59 1hih h GLN 92 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1hih h GLN 92 Cb 1.12 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1hih h GLN 92 CO 0.11 0.29 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 1hih n ILE 93 N -4.27 0.25 -1.98 2.54 -5.35 -1.04 -4.93 119.36 104.58 1hih n ILE 93 Ca -0.02 -0.44 -0.04 0.00 -0.27 0.00 0.00 62.75 61.98 1hih n ILE 93 Cb 0.28 0.58 -0.00 0.00 -1.74 0.00 0.00 39.64 38.76 1hih n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hih n GLY 94 N 1.23 0.25 3.72 3.28 0.00 -0.80 -5.01 105.19 107.87 1hih n GLY 94 Ca 0.17 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1hih n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hih s THR 96 N 0.47 0.95 -0.12 0.00 -4.23 -1.26 -4.74 115.64 106.71 1hih s THR 96 Ca 0.48 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 1hih s THR 96 Cb -0.22 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1hih s THR 96 CO 0.28 -0.54 0.11 -0.76 -0.54 0.00 0.00 174.62 173.17 1hih s LEU 97 N -3.21 4.21 -0.00 4.79 1.43 -1.26 -5.09 118.68 119.55 1hih s LEU 97 Ca 0.22 0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1hih s LEU 97 Cb 0.05 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 1hih s LEU 97 CO 0.04 0.38 0.02 0.20 0.23 0.00 0.00 176.35 177.21 1hih s ASN 98 N -0.84 0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.87 1hih s ASN 98 Ca 0.14 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1hih s ASN 98 Cb -0.12 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.60 1hih s ASN 98 CO 0.03 -0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.77