#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 3.26 -0.21 0.54 0.74 -1.26 -5.11 119.66 117.62 1hih s GLN 2 Ca 0.00 -0.68 0.02 0.00 0.05 0.00 0.00 55.36 54.75 1hih s GLN 2 Cb 0.00 -2.60 0.04 0.00 1.10 0.00 0.00 33.01 31.54 1hih s GLN 2 CO 0.00 0.28 -0.15 0.42 -0.55 0.00 0.00 175.29 175.30 1hih s ILE 3 N 0.17 2.00 0.76 -2.34 1.01 -1.26 -5.11 121.20 116.44 1hih s ILE 3 Ca -0.07 -1.19 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1hih s ILE 3 Cb -0.15 -1.97 0.05 0.00 0.01 0.00 0.00 42.46 40.40 1hih s ILE 3 CO 0.05 0.26 1.09 0.42 0.00 0.00 0.00 174.94 176.76 1hih s THR 4 N 1.25 3.34 -0.23 2.92 -4.23 -1.26 -5.01 115.64 112.42 1hih s THR 4 Ca -0.01 0.44 0.12 0.00 -1.18 0.00 0.00 61.69 61.06 1hih s THR 4 Cb -0.16 -3.21 0.47 0.00 1.34 0.00 0.00 72.50 70.94 1hih s THR 4 CO -0.09 -0.57 1.38 0.18 -0.54 0.00 0.00 174.62 174.98 1hih n LEU 5 N -3.31 3.65 -0.05 4.79 4.77 -1.26 -4.58 117.00 121.00 1hih n LEU 5 Ca 0.07 -3.52 -0.03 0.00 -0.03 0.00 0.00 56.01 52.51 1hih n LEU 5 Cb 0.56 -0.57 0.21 0.00 -2.33 0.00 0.00 43.42 41.29 1hih n LEU 5 CO 0.56 1.06 0.88 -0.50 -1.33 0.00 0.00 177.39 178.07 1hih h TRP 6 N 1.06 0.69 -2.22 -1.77 4.06 -2.06 -3.43 115.95 112.28 1hih h TRP 6 Ca 0.11 -0.09 -0.56 0.00 2.06 0.00 0.00 58.89 60.41 1hih h TRP 6 Cb 1.44 -0.19 -0.13 0.00 -1.00 0.00 0.00 29.16 29.27 1hih h TRP 6 CO 0.73 0.68 -0.62 -0.65 -3.56 0.00 0.00 178.44 175.02 1hih s GLN 7 N -4.91 1.79 0.25 0.49 1.11 -1.26 -5.09 119.66 112.03 1hih s GLN 7 Ca -0.08 -1.99 -0.31 0.00 0.01 0.00 0.00 55.36 52.99 1hih s GLN 7 Cb 0.15 -1.32 -0.12 0.00 -1.01 0.00 0.00 33.01 30.71 1hih s GLN 7 CO 0.79 -0.07 1.64 0.54 0.01 0.00 0.00 175.29 178.20 1hih n ARG 8 N -0.81 2.67 -2.07 2.91 1.74 -1.26 -4.85 116.66 114.99 1hih n ARG 8 Ca -0.04 0.95 -0.36 0.00 -0.77 0.00 0.00 57.85 57.63 1hih n ARG 8 Cb 0.66 -2.76 -0.04 0.00 -1.02 0.00 0.00 32.46 29.31 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 2.97 2.18 -3.39 5.56 -0.04 -1.26 -4.93 135.00 136.09 1hih n PRO 9 Ca 0.12 -2.64 -0.38 0.00 -0.04 0.00 0.00 63.50 60.56 1hih n PRO 9 Cb 0.35 -3.51 -0.07 0.00 -0.04 0.00 0.00 33.50 30.23 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 6.83 4.21 0.38 1.53 1.43 -1.26 -1.25 118.68 130.55 1hih s LEU 10 Ca 0.61 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1hih s LEU 10 Cb 0.04 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 1hih s LEU 10 CO 0.10 -0.02 0.11 0.68 0.23 0.00 0.00 176.35 177.44 1hih s VAL 11 N 0.95 0.76 -0.14 -1.59 -7.23 0.49 -4.89 120.40 108.76 1hih s VAL 11 Ca 0.21 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.22 1hih s VAL 11 Cb -0.14 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1hih s VAL 11 CO 0.08 0.00 0.39 -0.89 -0.31 0.00 0.00 175.10 174.36 1hih s THR 12 N -3.26 5.24 0.33 5.32 2.01 -1.26 -0.65 115.64 123.37 1hih s THR 12 Ca 0.28 0.75 0.10 0.00 0.31 0.00 0.00 61.69 63.13 1hih s THR 12 Cb 0.04 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1hih s THR 12 CO 0.14 0.35 -0.11 0.27 -0.69 0.00 0.00 174.62 174.59 1hih s ILE 13 N 0.58 2.20 -0.04 1.82 -4.36 0.84 -2.60 121.20 119.64 1hih s ILE 13 Ca 0.21 -2.23 0.01 0.00 -0.26 0.00 0.00 60.65 58.38 1hih s ILE 13 Cb -0.14 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1hih s ILE 13 CO 0.07 -0.25 -0.03 -0.75 0.24 0.00 0.00 174.94 174.23 1hih s LYS 14 N -3.61 0.65 -0.17 0.37 2.20 -0.39 -0.80 119.74 118.00 1hih s LYS 14 Ca 0.32 -0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.89 1hih s LYS 14 Cb 0.02 -0.75 0.04 0.00 -1.51 0.00 0.00 37.83 35.63 1hih s LYS 14 CO 0.16 -0.12 -0.05 0.42 -0.36 0.00 0.00 175.35 175.40 1hih s ILE 15 N 1.05 1.10 0.00 5.43 1.01 0.10 -1.69 121.20 128.20 1hih s ILE 15 Ca -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1hih s ILE 15 Cb -0.14 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.03 1hih s ILE 15 CO -0.01 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1hih n GLY 16 N 4.87 1.36 1.90 6.18 0.00 -1.26 -1.35 105.19 116.90 1hih n GLY 16 Ca -0.12 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 0.00 3.83 3.46 -0.02 0.00 -1.26 -4.88 105.19 106.32 1hih n GLY 17 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.44 3.14 -0.08 1.61 -0.21 -0.45 -5.11 119.66 116.12 1hih s GLN 18 Ca 0.42 -0.63 -0.04 0.00 0.02 0.00 0.00 55.36 55.13 1hih s GLN 18 Cb 0.35 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.70 1hih s GLN 18 CO 0.08 0.39 0.09 -0.51 -2.12 0.00 0.00 175.29 173.22 1hih s LEU 19 N -0.09 4.07 0.23 2.90 1.02 -1.26 -0.72 118.68 124.83 1hih s LEU 19 Ca -0.01 0.31 -0.07 0.00 0.02 0.00 0.00 54.13 54.38 1hih s LEU 19 Cb -0.14 -2.07 -0.02 0.00 0.02 0.00 0.00 46.19 43.98 1hih s LEU 19 CO 0.03 0.37 0.32 -0.54 0.02 0.00 0.00 176.35 176.55 1hih s LYS 20 N -1.18 1.40 -0.04 1.70 1.02 0.02 -4.98 119.74 117.68 1hih s LYS 20 Ca 0.17 -1.43 -0.03 0.00 0.02 0.00 0.00 55.97 54.70 1hih s LYS 20 Cb -0.12 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 1hih s LYS 20 CO 0.06 -0.53 0.11 -2.00 -0.92 0.00 0.00 175.35 172.06 1hih s GLU 21 N -4.06 3.22 -0.11 1.68 2.12 -1.26 -0.11 118.70 120.18 1hih s GLU 21 Ca 0.30 -0.36 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 1hih s GLU 21 Cb 0.03 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.48 1hih s GLU 21 CO 0.11 0.69 0.43 0.00 -0.54 0.00 0.00 175.26 175.94 1hih s ALA 22 N -1.14 -1.07 -0.19 6.30 0.00 0.17 -4.24 121.76 121.59 1hih s ALA 22 Ca 0.21 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1hih s ALA 22 Cb -0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 1hih s ALA 22 CO 0.11 -0.24 0.66 -1.17 0.00 0.00 0.00 175.76 175.12 1hih s LEU 23 N -0.41 4.15 -0.40 0.00 2.96 0.34 -0.38 118.68 124.93 1hih s LEU 23 Ca -0.05 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 54.45 1hih s LEU 23 Cb -0.03 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.74 1hih s LEU 23 CO 0.03 -0.29 1.12 -0.76 -1.32 0.00 0.00 176.35 175.13 1hih s LEU 24 N 1.93 3.77 -0.32 -0.68 1.43 -0.38 -1.05 118.68 123.39 1hih s LEU 24 Ca 0.30 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1hih s LEU 24 Cb -0.16 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.60 1hih s LEU 24 CO 0.11 -1.09 0.01 -0.62 0.23 0.00 0.00 176.35 174.98 1hih s ASP 25 N 2.13 4.65 0.00 2.29 2.15 -0.59 -4.78 116.67 122.53 1hih s ASP 25 Ca 0.47 -1.93 0.17 0.00 0.43 0.00 0.00 52.55 51.69 1hih s ASP 25 Cb -0.10 -1.59 0.78 0.00 -0.30 0.00 0.00 42.92 41.72 1hih s ASP 25 CO 0.24 -0.33 1.54 0.35 -0.17 0.00 0.00 175.17 176.80 1hih n THR 26 N 4.32 0.71 -0.75 1.71 -2.24 -1.26 -2.39 114.28 114.38 1hih n THR 26 Ca -0.01 0.18 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1hih n THR 26 Cb 0.42 -0.89 0.39 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.24 2.85 3.18 3.38 0.00 -1.26 -4.87 105.19 108.71 1hih n GLY 27 Ca 0.06 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.23 2.26 0.23 4.61 0.00 -1.00 -5.00 121.76 120.63 1hih s ALA 28 Ca 0.53 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.44 1hih s ALA 28 Cb 0.37 -1.00 0.25 0.00 0.00 0.00 0.00 23.12 22.74 1hih s ALA 28 CO 0.22 -0.00 1.57 -0.44 0.00 0.00 0.00 175.76 177.10 1hih h ASP 29 N 7.28 0.37 -1.31 0.00 3.32 -1.90 -0.42 116.42 123.75 1hih h ASP 29 Ca -0.31 -0.20 -0.62 0.00 0.02 0.00 0.00 57.03 55.92 1hih h ASP 29 Cb 1.19 -0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.53 1hih h ASP 29 CO 0.55 0.85 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.58 1hih s ASP 30 N -6.90 4.16 -0.20 6.45 1.01 -1.26 -3.19 116.67 116.73 1hih s ASP 30 Ca -0.05 -1.32 -0.07 0.00 0.71 0.00 0.00 52.55 51.82 1hih s ASP 30 Cb 0.12 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.82 1hih s ASP 30 CO 0.81 -0.60 0.06 -0.89 0.21 0.00 0.00 175.17 174.75 1hih s THR 31 N -2.71 4.55 -0.17 -1.27 2.01 -1.26 -3.36 115.64 113.43 1hih s THR 31 Ca 0.31 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.21 1hih s THR 31 Cb 0.06 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.51 1hih s THR 31 CO 0.17 0.42 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 1hih s VAL 32 N 0.81 2.16 0.18 3.82 1.01 -0.11 -0.86 120.40 127.41 1hih s VAL 32 Ca 0.03 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1hih s VAL 32 Cb -0.14 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1hih s VAL 32 CO 0.02 0.53 0.14 -0.76 0.00 0.00 0.00 175.10 175.04 1hih s LEU 33 N 1.18 3.78 0.71 3.92 1.43 0.18 -0.37 118.68 129.50 1hih s LEU 33 Ca 0.02 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1hih s LEU 33 Cb -0.14 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1hih s LEU 33 CO -0.09 0.05 1.13 -1.83 0.23 0.00 0.00 176.35 175.84 1hih s GLU 34 N -3.21 2.49 -0.07 1.70 -1.05 -1.26 -1.52 118.70 115.78 1hih s GLU 34 Ca 0.31 1.43 -0.38 0.00 -0.15 0.00 0.00 54.97 56.18 1hih s GLU 34 Cb -0.10 -1.91 -0.16 0.00 -0.44 0.00 0.00 34.13 31.53 1hih s GLU 34 CO 0.23 -1.50 1.55 -1.91 0.95 0.00 0.00 175.26 174.58 1hih n GLU 35 N -2.76 1.26 -3.50 -4.83 4.07 -0.84 -4.63 120.64 109.42 1hih n GLU 35 Ca 0.11 0.46 -0.15 0.00 -0.06 0.00 0.00 57.16 57.52 1hih n GLU 35 Cb 0.52 -2.14 -0.05 0.00 -0.06 0.00 0.00 31.44 29.71 1hih n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hih s MET 36 N 1.96 1.05 -0.24 5.31 0.23 -1.26 -5.04 119.30 121.31 1hih s MET 36 Ca 0.90 0.01 -0.14 0.00 -1.03 0.00 0.00 55.69 55.43 1hih s MET 36 Cb -0.97 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.78 1hih s MET 36 CO 0.54 -0.38 0.34 -1.54 -2.03 0.00 0.00 175.02 171.96 1hih s SER 37 N -1.69 6.29 0.06 -1.18 1.04 -1.26 -5.05 113.70 111.91 1hih s SER 37 Ca -0.06 0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.78 1hih s SER 37 Cb -0.00 -2.20 -0.03 0.00 0.10 0.00 0.00 66.02 63.88 1hih s SER 37 CO 0.02 -0.10 -0.18 -0.76 0.98 0.00 0.00 173.24 173.19 1hih s LEU 38 N 1.64 2.61 0.76 2.42 1.43 -1.26 -5.12 118.68 121.16 1hih s LEU 38 Ca 0.15 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 1hih s LEU 38 Cb -0.15 -1.51 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1hih s LEU 38 CO 0.08 0.24 1.10 -2.16 0.23 0.00 0.00 176.35 175.84 1hih s PRO 39 N -1.57 2.41 0.00 1.29 0.04 -1.26 -4.95 135.00 130.96 1hih s PRO 39 Ca 0.15 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1hih s PRO 39 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1hih s PRO 39 CO 0.06 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.14 1hih n GLY 40 N -2.50 1.69 3.94 0.56 0.00 -1.26 -5.02 105.19 102.60 1hih n GLY 40 Ca 0.07 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.83 1hih n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1hih s ARG 41 N -2.10 3.32 0.30 1.61 3.52 -1.26 -5.10 118.95 119.24 1hih s ARG 41 Ca 0.00 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1hih s ARG 41 Cb 0.00 -2.57 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1hih s ARG 41 CO 0.00 -0.08 0.20 1.67 -0.81 0.00 0.00 175.30 176.28 1hih s TRP 42 N -2.49 1.58 -0.02 5.12 1.48 -1.26 -4.76 118.94 118.59 1hih s TRP 42 Ca 0.45 -1.50 0.05 0.00 -1.06 0.00 0.00 56.10 54.04 1hih s TRP 42 Cb -0.10 -0.74 -0.01 0.00 -1.16 0.00 0.00 33.47 31.46 1hih s TRP 42 CO 0.38 -0.69 -0.18 0.15 -4.06 0.00 0.00 176.95 172.55 1hih s LYS 43 N -3.73 1.52 0.47 3.25 1.02 -0.69 -4.89 119.74 116.69 1hih s LYS 43 Ca 0.38 -0.63 -0.21 0.00 0.02 0.00 0.00 55.97 55.52 1hih s LYS 43 Cb 0.04 -1.43 -0.08 0.00 -0.52 0.00 0.00 37.83 35.83 1hih s LYS 43 CO 0.21 0.36 1.05 -1.25 -0.92 0.00 0.00 175.35 174.80 1hih s PRO 44 N -0.33 3.86 0.07 -1.68 0.04 -1.26 -0.61 135.00 135.09 1hih s PRO 44 Ca 0.05 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 1hih s PRO 44 Cb -0.08 -2.21 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1hih s PRO 44 CO -0.00 -0.39 0.37 0.21 0.04 0.00 0.00 177.00 177.23 1hih s LYS 45 N -3.03 0.94 -0.22 4.56 2.20 -0.37 -4.88 119.74 118.95 1hih s LYS 45 Ca 0.65 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 1hih s LYS 45 Cb -0.19 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.55 1hih s LYS 45 CO 0.23 -0.33 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.18 1hih s MET 46 N -2.97 3.24 -0.04 4.03 -1.94 -1.26 -0.56 119.30 119.80 1hih s MET 46 Ca -0.02 -0.71 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1hih s MET 46 Cb 0.00 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 1hih s MET 46 CO -0.06 -0.23 -0.13 0.96 -0.01 0.00 0.00 175.02 175.55 1hih s ILE 47 N 1.43 3.15 0.10 2.53 -4.36 -0.39 -4.92 121.20 118.73 1hih s ILE 47 Ca 0.05 -0.76 0.03 0.00 -0.26 0.00 0.00 60.65 59.71 1hih s ILE 47 Cb -0.14 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 1hih s ILE 47 CO -0.05 0.54 0.14 -0.83 0.24 0.00 0.00 174.94 174.99 1hih s GLY 48 N -0.89 1.95 0.00 6.27 0.00 -1.26 -0.83 107.32 112.57 1hih s GLY 48 Ca 0.12 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1hih s GLY 48 CO 0.02 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.72 1hih n GLY 49 N 0.12 5.08 0.36 0.20 0.00 0.95 -4.96 105.19 106.94 1hih n GLY 49 Ca -0.08 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.51 1hih n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1hih h ILE 50 N 0.22 0.95 -0.02 -0.61 6.09 -2.02 -2.87 117.51 119.26 1hih h ILE 50 Ca 0.00 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.23 1hih h ILE 50 Cb 0.00 0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.43 1hih h ILE 50 CO 0.00 0.14 -0.21 0.61 -3.07 0.00 0.00 178.15 175.62 1hih n GLY 51 N -1.44 0.27 0.00 8.18 0.00 -1.26 -5.08 105.19 105.86 1hih n GLY 51 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.20 0.68 3.65 -0.02 0.00 -1.08 -5.13 105.19 104.49 1hih n GLY 52 Ca 0.10 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.37 2.83 0.07 1.61 0.40 -1.26 -0.04 117.98 118.23 1hih s PHE 53 Ca 0.00 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 1hih s PHE 53 Cb 0.00 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 1hih s PHE 53 CO 0.00 0.51 -0.10 0.96 0.70 0.00 0.00 175.22 177.29 1hih s ILE 54 N -1.69 0.82 0.08 0.64 -4.36 -0.01 -4.95 121.20 111.73 1hih s ILE 54 Ca 0.27 -1.36 -0.22 0.00 -0.26 0.00 0.00 60.65 59.08 1hih s ILE 54 Cb -0.09 -1.02 -0.07 0.00 1.25 0.00 0.00 42.46 42.53 1hih s ILE 54 CO 0.18 -0.42 0.66 -0.75 0.24 0.00 0.00 174.94 174.85 1hih s LYS 55 N -2.12 4.36 0.20 0.37 2.20 -1.26 -1.26 119.74 122.22 1hih s LYS 55 Ca -0.02 0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 56.49 1hih s LYS 55 Cb -0.07 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1hih s LYS 55 CO 0.00 0.53 0.10 0.14 -0.36 0.00 0.00 175.35 175.76 1hih s VAL 56 N -0.82 0.18 -0.15 4.02 -7.23 0.27 -4.71 120.40 111.96 1hih s VAL 56 Ca 0.32 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1hih s VAL 56 Cb -0.20 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1hih s VAL 56 CO 0.21 -0.12 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.72 1hih s ARG 57 N -4.10 3.62 -0.24 4.82 0.52 -0.19 -1.24 118.95 122.15 1hih s ARG 57 Ca 0.35 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 54.95 1hih s ARG 57 Cb 0.07 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.59 1hih s ARG 57 CO 0.10 0.28 0.14 -1.14 0.02 0.00 0.00 175.30 174.70 1hih s GLN 58 N 0.25 3.99 -0.06 3.54 0.74 0.22 -0.48 119.66 127.86 1hih s GLN 58 Ca -0.02 -0.31 0.05 0.00 0.05 0.00 0.00 55.36 55.12 1hih s GLN 58 Cb -0.14 -3.50 -0.02 0.00 1.10 0.00 0.00 33.01 30.45 1hih s GLN 58 CO 0.03 0.02 -0.20 0.71 -0.55 0.00 0.00 175.29 175.30 1hih s TYR 59 N 1.16 2.56 0.17 1.67 1.51 -0.32 -1.70 117.35 122.41 1hih s TYR 59 Ca 0.07 -0.47 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1hih s TYR 59 Cb -0.14 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.05 1hih s TYR 59 CO 0.05 -0.05 0.17 -0.51 -1.11 0.00 0.00 175.55 174.10 1hih s ASP 60 N -0.36 5.64 -1.29 2.29 1.01 -1.26 -0.87 116.67 121.84 1hih s ASP 60 Ca 0.03 -0.10 -0.03 0.00 0.71 0.00 0.00 52.55 53.16 1hih s ASP 60 Cb -0.12 -1.51 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1hih s ASP 60 CO 0.02 0.05 0.93 0.00 0.21 0.00 0.00 175.17 176.38 1hih n GLN 61 N -0.50 -6.16 -3.76 8.23 1.13 -1.11 -4.91 117.38 110.31 1hih n GLN 61 Ca -0.08 0.75 -0.37 0.00 -1.94 0.00 0.00 57.00 55.36 1hih n GLN 61 Cb 0.55 -5.61 -0.06 0.00 0.11 0.00 0.00 30.24 25.23 1hih n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1hih s ILE 62 N -3.45 5.40 -0.19 5.09 -1.09 -0.24 -4.73 121.20 121.98 1hih s ILE 62 Ca 0.15 0.34 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 1hih s ILE 62 Cb -0.07 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.28 1hih s ILE 62 CO 0.77 0.57 0.32 -0.22 -1.23 0.00 0.00 174.94 175.15 1hih s LEU 63 N -0.70 4.18 -0.03 2.97 2.96 -1.26 -0.77 118.68 126.04 1hih s LEU 63 Ca 0.16 0.45 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 1hih s LEU 63 Cb -0.13 -2.40 0.01 0.00 0.50 0.00 0.00 46.19 44.17 1hih s LEU 63 CO 0.05 0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.39 1hih s ILE 64 N 0.95 0.65 -0.23 6.68 1.01 -0.12 -4.59 121.20 125.55 1hih s ILE 64 Ca 0.16 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1hih s ILE 64 Cb -0.14 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1hih s ILE 64 CO 0.06 0.21 0.09 -0.70 0.00 0.00 0.00 174.94 174.60 1hih s GLU 65 N 0.29 3.85 -0.39 2.79 2.12 -0.68 -1.12 118.70 125.55 1hih s GLU 65 Ca -0.04 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.86 1hih s GLU 65 Cb -0.09 -3.34 0.09 0.00 0.26 0.00 0.00 34.13 31.05 1hih s GLU 65 CO 0.00 0.01 0.18 0.42 -0.54 0.00 0.00 175.26 175.33 1hih s ILE 66 N 1.11 3.48 -1.42 -3.70 1.01 0.13 -1.26 121.20 120.56 1hih s ILE 66 Ca 0.05 -1.76 -0.10 0.00 0.00 0.00 0.00 60.65 58.84 1hih s ILE 66 Cb -0.14 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 39.12 1hih s ILE 66 CO 0.04 -0.53 1.07 0.00 0.00 0.00 0.00 174.94 175.51 1hih n GLY 68 N -1.81 0.87 3.41 0.00 0.00 -1.26 -5.02 105.19 101.37 1hih n GLY 68 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.42 3.08 0.34 1.61 4.02 0.28 -5.07 115.29 116.13 1hih s HIS 69 Ca 0.00 -0.60 -0.26 0.00 1.02 0.00 0.00 55.06 55.21 1hih s HIS 69 Cb 0.00 -2.23 -0.09 0.00 -1.02 0.00 0.00 32.58 29.24 1hih s HIS 69 CO 0.00 -0.43 1.04 0.15 1.02 0.00 0.00 174.74 176.52 1hih s LYS 70 N 1.58 4.43 -0.02 1.40 1.02 -1.26 0.22 119.74 127.10 1hih s LYS 70 Ca 0.06 1.58 -0.08 0.00 0.02 0.00 0.00 55.97 57.55 1hih s LYS 70 Cb -0.15 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1hih s LYS 70 CO 0.03 0.08 0.17 0.00 -0.92 0.00 0.00 175.35 174.70 1hih s ALA 71 N -1.46 -0.41 -0.06 5.17 0.00 -0.28 -4.74 121.76 119.99 1hih s ALA 71 Ca 0.51 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1hih s ALA 71 Cb -0.25 -0.04 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1hih s ALA 71 CO 0.32 -0.17 -0.05 0.42 0.00 0.00 0.00 175.76 176.28 1hih s ILE 72 N -0.86 0.64 0.00 0.00 1.01 -1.26 -0.94 121.20 119.79 1hih s ILE 72 Ca -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1hih s ILE 72 Cb -0.05 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.74 1hih s ILE 72 CO 0.01 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1hih n GLY 73 N 4.37 0.52 3.73 6.18 0.00 0.05 -4.87 105.19 115.18 1hih n GLY 73 Ca -0.19 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.04 4.28 0.01 2.61 2.01 -1.26 -1.08 115.64 120.17 1hih s THR 74 Ca 0.00 1.85 0.05 0.00 0.31 0.00 0.00 61.69 63.90 1hih s THR 74 Cb 0.00 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1hih s THR 74 CO 0.00 0.27 -0.15 0.68 -0.69 0.00 0.00 174.62 174.73 1hih s VAL 75 N 0.13 1.16 -0.09 3.82 -7.23 -0.05 -4.48 120.40 113.66 1hih s VAL 75 Ca 0.49 -0.79 -0.01 0.00 -1.81 0.00 0.00 61.98 59.86 1hih s VAL 75 Cb -0.26 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 1hih s VAL 75 CO 0.31 0.20 -0.03 -0.76 -0.31 0.00 0.00 175.10 174.51 1hih s LEU 76 N -0.68 3.36 -0.18 1.32 1.43 -0.04 -1.17 118.68 122.72 1hih s LEU 76 Ca 0.04 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1hih s LEU 76 Cb -0.07 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.40 1hih s LEU 76 CO 0.00 0.33 -0.15 -0.69 0.23 0.00 0.00 176.35 176.08 1hih s VAL 77 N -0.63 2.59 0.33 -1.59 1.01 0.37 0.50 120.40 122.97 1hih s VAL 77 Ca 0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1hih s VAL 77 Cb -0.12 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1hih s VAL 77 CO 0.02 0.50 0.52 0.61 0.00 0.00 0.00 175.10 176.75 1hih n GLY 78 N 4.41 1.90 1.77 4.51 0.00 -0.58 -1.02 105.19 116.17 1hih n GLY 78 Ca -0.20 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.52 1.44 -2.67 1.61 -0.04 -1.26 -1.99 135.00 131.57 1hih n PRO 79 Ca -0.02 -0.47 -0.37 0.00 -0.04 0.00 0.00 63.50 62.60 1hih n PRO 79 Cb 0.54 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.57 3.99 -0.39 0.52 -1.32 -1.26 -4.95 115.64 112.79 1hih s THR 80 Ca 0.32 1.57 0.27 0.00 -1.21 0.00 0.00 61.69 62.64 1hih s THR 80 Cb 0.15 -3.84 0.32 0.00 -1.51 0.00 0.00 72.50 67.62 1hih s THR 80 CO 0.00 0.06 1.77 1.55 -2.21 0.00 0.00 174.62 175.79 1hih h PRO 81 N 2.83 0.00 -3.56 7.08 0.13 -1.98 -3.43 132.00 133.07 1hih h PRO 81 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1hih h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 1hih h PRO 81 CO 0.64 0.00 -0.59 0.54 -0.23 0.00 0.00 178.00 178.36 1hih s VAL 82 N -3.32 0.04 0.18 1.56 0.11 -1.26 -5.05 120.40 112.66 1hih s VAL 82 Ca 0.06 -0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 1hih s VAL 82 Cb 0.09 -0.23 -0.09 0.00 -1.53 0.00 0.00 36.38 34.62 1hih s VAL 82 CO 0.56 -0.16 1.37 0.20 -3.33 0.00 0.00 175.10 173.74 1hih s ASN 83 N -0.51 6.82 -0.18 3.54 0.01 -1.26 -4.65 114.94 118.71 1hih s ASN 83 Ca -0.06 2.43 0.01 0.00 -0.71 0.00 0.00 52.86 54.53 1hih s ASN 83 Cb -0.04 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1hih s ASN 83 CO 0.00 -0.61 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.15 1hih s ILE 84 N 0.48 2.08 -0.35 0.60 1.01 0.50 -0.51 121.20 125.02 1hih s ILE 84 Ca 0.60 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 1hih s ILE 84 Cb -0.38 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 1hih s ILE 84 CO 0.36 0.54 0.46 -0.63 0.00 0.00 0.00 174.94 175.67 1hih s ILE 85 N 1.27 5.06 0.32 2.92 -1.09 -0.21 -0.94 121.20 128.54 1hih s ILE 85 Ca 0.04 0.22 -0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1hih s ILE 85 Cb -0.13 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1hih s ILE 85 CO -0.12 -0.19 0.44 0.61 -1.23 0.00 0.00 174.94 174.45 1hih n GLY 86 N 4.85 0.71 0.27 6.18 0.00 -1.21 -1.54 105.19 114.45 1hih n GLY 86 Ca -0.06 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 0.15 -0.30 1.61 3.08 -1.16 -1.52 114.38 116.25 1hih h ARG 87 Ca -0.14 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1hih h ARG 87 Cb 0.54 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1hih h ARG 87 CO 0.16 0.12 0.21 -2.95 -1.07 0.00 0.00 179.97 176.43 1hih h ASN 88 N 0.16 0.12 0.07 7.04 -1.07 -1.81 -1.83 115.58 118.25 1hih h ASN 88 Ca 0.04 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.04 1hih h ASN 88 Cb 0.02 -0.02 -0.06 0.00 -2.07 0.00 0.00 38.32 36.18 1hih h ASN 88 CO -0.01 0.08 -2.30 0.18 0.07 0.00 0.00 177.43 175.45 1hih n LEU 89 N -4.48 1.77 -0.03 6.14 4.32 -0.76 -4.30 117.00 119.66 1hih n LEU 89 Ca 0.03 0.01 -0.00 0.00 -0.02 0.00 0.00 56.01 56.04 1hih n LEU 89 Cb 0.28 -0.38 0.29 0.00 -1.62 0.00 0.00 43.42 41.99 1hih n LEU 89 CO 0.35 0.73 0.98 -0.07 -1.22 0.00 0.00 177.39 178.16 1hih h LEU 90 N 0.01 0.55 -1.20 2.23 3.38 -1.00 -1.54 115.31 117.74 1hih h LEU 90 Ca -0.52 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.32 1hih h LEU 90 Cb 2.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 1hih h LEU 90 CO -0.01 0.57 0.02 0.71 0.09 0.00 0.00 178.44 179.83 1hih h THR 91 N 0.58 1.20 0.00 0.22 1.35 -1.55 -2.16 112.91 112.54 1hih h THR 91 Ca 0.13 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.17 1hih h THR 91 Cb 0.26 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1hih h THR 91 CO 0.00 0.27 -0.19 1.56 -0.25 0.00 0.00 175.52 176.91 1hih h GLN 92 N 0.55 0.00 -0.60 4.72 4.20 -1.47 -2.25 115.11 120.26 1hih h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1hih h GLN 92 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1hih h GLN 92 CO 0.01 0.19 0.00 0.44 -0.67 0.00 0.00 178.83 178.80 1hih n ILE 93 N -3.89 0.80 -2.31 2.54 -5.35 -0.96 -4.93 119.36 105.26 1hih n ILE 93 Ca -0.02 -0.85 -0.09 0.00 -0.27 0.00 0.00 62.75 61.52 1hih n ILE 93 Cb 0.28 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.54 0.05 3.72 3.28 0.00 -0.85 -5.00 105.19 107.92 1hih n GLY 94 Ca 0.22 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 0.78 1.17 -0.13 0.00 -4.23 -1.26 -4.70 115.64 107.26 1hih s THR 96 Ca 0.49 -2.06 -0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1hih s THR 96 Cb -0.21 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.35 1hih s THR 96 CO 0.27 -0.42 0.06 -0.76 -0.54 0.00 0.00 174.62 173.23 1hih s LEU 97 N -3.30 3.86 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.10 1hih s LEU 97 Ca 0.26 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1hih s LEU 97 Cb 0.04 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1hih s LEU 97 CO 0.07 0.30 -0.01 0.20 0.23 0.00 0.00 176.35 177.14 1hih s ASN 98 N -0.39 0.40 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.81 1hih s ASN 98 Ca 0.09 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.34 1hih s ASN 98 Cb -0.12 -0.15 0.00 0.00 -0.02 0.00 0.00 41.25 40.96 1hih s ASN 98 CO 0.02 -0.04 0.00 2.22 -2.57 0.00 0.00 177.10 176.73