#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8g s GLN 2 N 0.00 4.25 -0.24 0.54 0.74 -1.26 -5.06 119.66 118.63 1u8g s GLN 2 Ca 0.00 0.55 -0.00 0.00 0.05 0.00 0.00 55.36 55.96 1u8g s GLN 2 Cb 0.00 -3.36 0.07 0.00 1.10 0.00 0.00 33.01 30.82 1u8g s GLN 2 CO 0.00 0.35 -0.01 0.42 -0.55 0.00 0.00 175.29 175.50 1u8g s ILE 3 N -0.05 1.24 1.05 -2.34 1.01 -1.26 -5.14 121.20 115.72 1u8g s ILE 3 Ca 0.27 -1.13 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1u8g s ILE 3 Cb -0.17 -1.63 0.21 0.00 0.01 0.00 0.00 42.46 40.88 1u8g s ILE 3 CO 0.14 -0.21 1.10 0.42 0.00 0.00 0.00 174.94 176.38 1u8g s THR 4 N 1.51 1.92 -0.02 2.92 -4.23 -1.26 -5.04 115.64 111.44 1u8g s THR 4 Ca -0.02 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1u8g s THR 4 Cb -0.18 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.21 1u8g s THR 4 CO -0.09 0.00 0.95 0.18 -0.54 0.00 0.00 174.62 175.12 1u8g n LEU 5 N -4.32 1.66 0.21 4.79 4.77 -1.26 -4.59 117.00 118.26 1u8g n LEU 5 Ca 0.07 -1.83 0.14 0.00 -0.03 0.00 0.00 56.01 54.35 1u8g n LEU 5 Cb 0.58 -0.07 0.76 0.00 -2.33 0.00 0.00 43.42 42.36 1u8g n LEU 5 CO 0.55 0.45 1.12 -0.50 -1.33 0.00 0.00 177.39 177.68 1u8g h TRP 6 N 0.00 0.00 -2.37 -1.77 4.06 -2.07 -3.42 115.95 110.38 1u8g h TRP 6 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 1u8g h TRP 6 Cb 0.70 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.73 1u8g h TRP 6 CO 0.00 0.00 -0.65 -0.65 -3.56 0.00 0.00 178.44 173.58 1u8g s GLN 7 N -4.84 1.70 -0.10 0.49 -0.21 -1.26 -5.10 119.66 110.33 1u8g s GLN 7 Ca -0.05 -1.90 -0.39 0.00 0.02 0.00 0.00 55.36 53.05 1u8g s GLN 7 Cb 0.16 -1.29 -0.16 0.00 1.00 0.00 0.00 33.01 32.72 1u8g s GLN 7 CO 0.62 -0.00 1.54 0.54 -2.12 0.00 0.00 175.29 175.87 1u8g n ARG 8 N -0.71 1.12 -1.40 2.91 1.74 -1.26 -4.84 116.66 114.22 1u8g n ARG 8 Ca -0.05 0.41 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 1u8g n ARG 8 Cb 0.65 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 1u8g n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1u8g n PRO 9 N 3.97 2.89 -2.91 5.56 -0.04 -1.26 -4.94 135.00 138.28 1u8g n PRO 9 Ca 0.23 -2.24 -0.40 0.00 -0.04 0.00 0.00 63.50 61.04 1u8g n PRO 9 Cb 0.16 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.59 1u8g n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1u8g s LEU 10 N 1.13 4.40 0.24 1.53 1.43 -1.26 -1.66 118.68 124.50 1u8g s LEU 10 Ca 0.55 1.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.16 1u8g s LEU 10 Cb 0.15 -3.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.00 1u8g s LEU 10 CO -0.05 -0.09 0.01 0.68 0.23 0.00 0.00 176.35 177.13 1u8g s VAL 11 N 0.42 1.04 -0.19 -1.59 -7.23 0.38 -4.92 120.40 108.32 1u8g s VAL 11 Ca 0.42 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 1u8g s VAL 11 Cb -0.20 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1u8g s VAL 11 CO 0.24 -0.27 0.37 0.42 -0.31 0.00 0.00 175.10 175.54 1u8g s THR 12 N -3.41 5.23 0.09 5.32 -4.23 -1.26 -0.29 115.64 117.09 1u8g s THR 12 Ca 0.30 0.66 0.08 0.00 -1.18 0.00 0.00 61.69 61.55 1u8g s THR 12 Cb 0.06 -3.70 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 1u8g s THR 12 CO 0.10 0.30 -0.17 0.27 -0.54 0.00 0.00 174.62 174.58 1u8g s ILE 13 N 1.02 2.93 -0.14 2.99 -4.36 0.22 -0.46 121.20 123.39 1u8g s ILE 13 Ca 0.18 -1.36 -0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1u8g s ILE 13 Cb -0.14 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 1u8g s ILE 13 CO 0.07 0.18 -0.13 -0.75 0.24 0.00 0.00 174.94 174.54 1u8g s LYS 14 N -1.94 3.32 -0.17 0.37 2.20 -0.31 -1.02 119.74 122.20 1u8g s LYS 14 Ca 0.17 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.95 1u8g s LYS 14 Cb -0.11 -2.65 0.05 0.00 -1.51 0.00 0.00 37.83 33.62 1u8g s LYS 14 CO 0.09 0.11 0.43 -1.50 -0.36 0.00 0.00 175.35 174.12 1u8g s ILE 15 N 0.60 -0.01 -1.45 5.43 2.07 -0.12 -1.53 121.20 126.19 1u8g s ILE 15 Ca -0.08 0.04 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1u8g s ILE 15 Cb -0.16 -0.62 0.03 0.00 0.13 0.00 0.00 42.46 41.85 1u8g s ILE 15 CO 0.03 0.02 0.59 0.61 -1.91 0.00 0.00 174.94 174.28 1u8g n GLY 16 N 3.53 -0.51 3.62 1.50 0.00 -1.26 -1.13 105.19 110.93 1u8g n GLY 16 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1u8g n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8g n GLY 17 N -1.42 0.87 3.92 -0.02 0.00 -1.26 -5.01 105.19 102.28 1u8g n GLY 17 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 1u8g n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u8g s GLN 18 N -0.32 3.18 -0.08 1.61 -0.21 -0.29 -5.08 119.66 118.48 1u8g s GLN 18 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 1u8g s GLN 18 Cb 0.00 -2.75 -0.03 0.00 1.00 0.00 0.00 33.01 31.23 1u8g s GLN 18 CO 0.00 0.33 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.96 1u8g s LEU 19 N -3.98 3.41 0.05 2.90 1.43 -1.26 -0.95 118.68 120.28 1u8g s LEU 19 Ca 0.36 0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1u8g s LEU 19 Cb -0.08 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1u8g s LEU 19 CO 0.28 0.37 0.02 -0.54 0.23 0.00 0.00 176.35 176.71 1u8g s LYS 20 N -0.82 0.58 -0.07 1.70 1.02 -0.19 -5.01 119.74 116.95 1u8g s LYS 20 Ca 0.12 -0.99 -0.12 0.00 0.02 0.00 0.00 55.97 55.01 1u8g s LYS 20 Cb -0.11 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.36 1u8g s LYS 20 CO 0.02 -0.12 0.29 -1.21 -0.92 0.00 0.00 175.35 173.40 1u8g s GLU 21 N -3.21 3.79 0.12 1.68 2.02 -1.26 -0.61 118.70 121.24 1u8g s GLU 21 Ca 0.00 0.15 -0.05 0.00 0.02 0.00 0.00 54.97 55.10 1u8g s GLU 21 Cb 0.03 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.99 1u8g s GLU 21 CO -0.07 0.65 0.15 0.00 0.02 0.00 0.00 175.26 176.00 1u8g s ALA 22 N -0.80 0.32 -0.24 5.21 0.00 0.60 -4.54 121.76 122.30 1u8g s ALA 22 Ca 0.19 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1u8g s ALA 22 Cb -0.14 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1u8g s ALA 22 CO 0.08 -0.53 0.14 -1.17 0.00 0.00 0.00 175.76 174.28 1u8g s LEU 23 N -2.97 3.95 -0.25 0.00 2.96 -0.57 -0.47 118.68 121.33 1u8g s LEU 23 Ca 0.16 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.81 1u8g s LEU 23 Cb 0.06 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1u8g s LEU 23 CO -0.03 0.04 1.46 -0.76 -1.32 0.00 0.00 176.35 175.73 1u8g s LEU 24 N 1.23 3.92 -0.48 -0.68 1.43 -0.66 -1.05 118.68 122.39 1u8g s LEU 24 Ca 0.07 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1u8g s LEU 24 Cb -0.14 -3.54 0.14 0.00 0.03 0.00 0.00 46.19 42.68 1u8g s LEU 24 CO 0.05 -1.14 0.26 -0.62 0.23 0.00 0.00 176.35 175.14 1u8g s ASP 25 N 3.43 3.85 0.56 2.29 -1.08 -0.80 -4.82 116.67 120.09 1u8g s ASP 25 Ca 0.64 -2.83 0.36 0.00 -0.52 0.00 0.00 52.55 50.20 1u8g s ASP 25 Cb -0.21 -1.23 1.71 0.00 -1.46 0.00 0.00 42.92 41.73 1u8g s ASP 25 CO 0.26 -0.24 2.08 0.71 0.52 0.00 0.00 175.17 178.50 1u8g h THR 26 N 5.25 0.00 0.00 1.71 1.35 -1.93 -2.70 112.91 116.58 1u8g h THR 26 Ca -0.01 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1u8g h THR 26 Cb 0.91 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1u8g h THR 26 CO 0.55 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1u8g n GLY 27 N -0.44 -0.75 3.33 5.82 0.00 -1.26 -4.78 105.19 107.11 1u8g n GLY 27 Ca -0.01 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1u8g n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8g s ALA 28 N -2.35 2.74 0.20 4.61 0.00 -1.02 -4.97 121.76 120.97 1u8g s ALA 28 Ca 0.21 -1.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 1u8g s ALA 28 Cb 0.12 -1.52 0.15 0.00 0.00 0.00 0.00 23.12 21.88 1u8g s ALA 28 CO 0.24 -0.19 1.59 -0.44 0.00 0.00 0.00 175.76 176.96 1u8g h ASP 29 N 7.61 0.77 -2.84 0.00 3.32 -1.87 0.19 116.42 123.60 1u8g h ASP 29 Ca -0.37 -0.31 -0.54 0.00 0.02 0.00 0.00 57.03 55.83 1u8g h ASP 29 Cb 1.18 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.38 1u8g h ASP 29 CO 0.60 1.02 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.77 1u8g s ASP 30 N -6.80 2.79 -0.17 6.45 1.01 -1.26 -2.53 116.67 116.17 1u8g s ASP 30 Ca -0.09 -1.55 -0.06 0.00 0.71 0.00 0.00 52.55 51.56 1u8g s ASP 30 Cb 0.12 0.25 -0.04 0.00 1.01 0.00 0.00 42.92 44.27 1u8g s ASP 30 CO 0.84 -0.78 0.03 -0.89 0.21 0.00 0.00 175.17 174.58 1u8g s THR 31 N -3.20 4.53 -0.01 -1.27 2.01 -1.26 -3.53 115.64 112.91 1u8g s THR 31 Ca 0.27 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.16 1u8g s THR 31 Cb 0.05 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.54 1u8g s THR 31 CO 0.14 0.48 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.78 1u8g s VAL 32 N 0.27 0.62 0.03 3.82 1.01 -0.74 -1.03 120.40 124.38 1u8g s VAL 32 Ca 0.02 -0.30 0.05 0.00 0.00 0.00 0.00 61.98 61.74 1u8g s VAL 32 Cb -0.13 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 1u8g s VAL 32 CO 0.01 0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.41 1u8g s LEU 33 N 0.04 2.16 1.12 3.92 1.02 0.03 -0.97 118.68 126.01 1u8g s LEU 33 Ca -0.00 -0.43 -0.12 0.00 0.02 0.00 0.00 54.13 53.60 1u8g s LEU 33 Cb -0.06 -0.58 0.26 0.00 0.02 0.00 0.00 46.19 45.83 1u8g s LEU 33 CO -0.00 0.04 1.05 -1.83 0.02 0.00 0.00 176.35 175.63 1u8g s GLU 34 N -1.04 -0.58 -0.31 1.70 1.03 -1.26 -0.59 118.70 117.64 1u8g s GLU 34 Ca 0.01 1.05 -0.37 0.00 0.03 0.00 0.00 54.97 55.69 1u8g s GLU 34 Cb -0.07 -1.58 -0.13 0.00 -0.80 0.00 0.00 34.13 31.55 1u8g s GLU 34 CO 0.01 -3.56 2.04 0.39 -1.33 0.00 0.00 175.26 172.81 1u8g n GLU 35 N -4.83 1.16 -3.79 -4.83 4.71 -1.17 -4.51 120.64 107.38 1u8g n GLU 35 Ca 0.05 0.36 -0.10 0.00 -0.01 0.00 0.00 57.16 57.47 1u8g n GLU 35 Cb 0.53 -2.34 -0.04 0.00 -1.01 0.00 0.00 31.44 28.58 1u8g n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1u8g s MET 36 N 5.30 1.33 -0.24 3.49 0.23 -1.26 -5.05 119.30 123.09 1u8g s MET 36 Ca 1.06 -0.93 -0.14 0.00 -1.03 0.00 0.00 55.69 54.65 1u8g s MET 36 Cb -0.93 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 32.81 1u8g s MET 36 CO 0.55 -0.55 0.30 -1.12 -2.03 0.00 0.00 175.02 172.17 1u8g s SER 37 N -2.89 6.26 0.03 -1.18 0.01 -1.26 -5.03 113.70 109.63 1u8g s SER 37 Ca 0.11 0.29 -0.07 0.00 1.31 0.00 0.00 55.95 57.58 1u8g s SER 37 Cb 0.00 -2.18 -0.00 0.00 0.21 0.00 0.00 66.02 64.05 1u8g s SER 37 CO -0.02 -0.06 0.14 -0.76 0.41 0.00 0.00 173.24 172.95 1u8g s LEU 38 N 1.48 1.57 0.00 2.44 1.43 -1.26 -4.91 118.68 119.43 1u8g s LEU 38 Ca 0.14 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1u8g s LEU 38 Cb -0.15 0.76 0.14 0.00 0.03 0.00 0.00 46.19 46.97 1u8g s LEU 38 CO 0.08 -0.49 0.92 -0.81 0.23 0.00 0.00 176.35 176.28 1u8g n PRO 39 N 0.93 -0.22 -0.00 1.29 -0.04 -1.26 -5.01 135.00 130.69 1u8g n PRO 39 Ca -0.20 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.00 1u8g n PRO 39 Cb 0.58 -0.69 -0.00 0.00 -0.04 0.00 0.00 33.50 33.35 1u8g n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8g n GLY 40 N -1.83 -1.49 3.72 0.55 0.00 -1.26 -4.96 105.19 99.92 1u8g n GLY 40 Ca 0.14 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1u8g n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u8g s ARG 41 N -1.33 1.05 -0.26 1.61 1.04 -1.26 -5.11 118.95 114.68 1u8g s ARG 41 Ca 0.00 0.63 -0.24 0.00 -1.04 0.00 0.00 55.73 55.08 1u8g s ARG 41 Cb 0.00 -1.80 0.07 0.00 -2.04 0.00 0.00 34.95 31.18 1u8g s ARG 41 CO 0.00 -2.34 0.70 1.67 -0.04 0.00 0.00 175.30 175.29 1u8g s TRP 42 N -3.01 -0.77 0.04 5.89 1.48 -1.26 -4.58 118.94 116.72 1u8g s TRP 42 Ca 0.64 1.88 -0.10 0.00 -1.06 0.00 0.00 56.10 57.45 1u8g s TRP 42 Cb -0.17 0.27 -0.06 0.00 -1.16 0.00 0.00 33.47 32.36 1u8g s TRP 42 CO 0.56 -0.37 0.37 0.15 -4.06 0.00 0.00 176.95 173.60 1u8g s LYS 43 N 0.41 3.76 0.78 3.25 3.01 -1.00 -4.82 119.74 125.13 1u8g s LYS 43 Ca -0.00 0.19 -0.12 0.00 -1.01 0.00 0.00 55.97 55.03 1u8g s LYS 43 Cb -0.05 -3.07 0.06 0.00 -1.01 0.00 0.00 37.83 33.76 1u8g s LYS 43 CO 0.00 0.62 1.12 -1.25 0.51 0.00 0.00 175.35 176.35 1u8g s PRO 44 N -1.64 2.20 -0.26 -1.68 0.04 -1.26 -1.54 135.00 130.86 1u8g s PRO 44 Ca 0.29 0.43 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 1u8g s PRO 44 Cb -0.14 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.62 1u8g s PRO 44 CO 0.16 -1.49 1.31 0.21 0.04 0.00 0.00 177.00 177.23 1u8g s LYS 45 N -5.33 0.13 0.02 4.56 2.20 -0.93 -4.85 119.74 115.55 1u8g s LYS 45 Ca 0.61 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 56.29 1u8g s LYS 45 Cb -0.13 0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.24 1u8g s LYS 45 CO 0.52 -0.05 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.65 1u8g s MET 46 N -1.27 1.26 0.16 4.03 -1.94 -1.26 -0.35 119.30 119.93 1u8g s MET 46 Ca 0.08 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1u8g s MET 46 Cb -0.01 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.50 1u8g s MET 46 CO -0.06 0.34 -0.11 0.96 -0.01 0.00 0.00 175.02 176.13 1u8g s ILE 47 N -0.65 1.30 0.16 2.53 -4.36 -0.76 -4.97 121.20 114.45 1u8g s ILE 47 Ca 0.06 -2.06 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 1u8g s ILE 47 Cb -0.08 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 1u8g s ILE 47 CO 0.01 -0.69 -0.19 -0.83 0.24 0.00 0.00 174.94 173.48 1u8g s GLY 48 N -3.12 1.42 0.00 6.27 0.00 -1.26 -1.35 107.32 109.27 1u8g s GLY 48 Ca 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.41 1u8g s GLY 48 CO 0.02 -1.52 0.00 0.61 0.00 0.00 0.00 173.10 172.21 1u8g n GLY 49 N 0.40 5.40 0.00 0.20 0.00 0.44 -4.98 105.19 106.65 1u8g n GLY 49 Ca -0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1u8g n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8g n ILE 50 N 0.00 0.00 0.40 -0.61 5.41 -1.26 -2.76 119.36 120.54 1u8g n ILE 50 Ca 0.00 0.99 0.05 0.00 1.00 0.00 0.00 62.75 64.79 1u8g n ILE 50 Cb 0.00 -1.48 0.23 0.00 -0.71 0.00 0.00 39.64 37.68 1u8g n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u8g n GLY 51 N -0.98 -0.73 0.00 7.39 0.00 -1.26 -4.97 105.19 104.63 1u8g n GLY 51 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1u8g n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8g n GLY 52 N -0.47 0.50 3.24 -0.02 0.00 -1.11 -5.12 105.19 102.20 1u8g n GLY 52 Ca 0.03 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1u8g n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8g s PHE 53 N 0.00 1.41 0.13 1.61 0.40 -1.26 -0.42 117.98 119.85 1u8g s PHE 53 Ca 0.00 -0.54 0.06 0.00 -0.60 0.00 0.00 56.93 55.85 1u8g s PHE 53 Cb 0.00 -0.74 -0.04 0.00 0.51 0.00 0.00 43.02 42.75 1u8g s PHE 53 CO 0.00 0.15 -0.14 0.96 0.70 0.00 0.00 175.22 176.88 1u8g s ILE 54 N -2.07 1.41 0.05 0.64 -4.36 -0.46 -4.98 121.20 111.43 1u8g s ILE 54 Ca 0.08 -1.78 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 1u8g s ILE 54 Cb -0.05 -1.61 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 1u8g s ILE 54 CO 0.03 -0.42 0.79 -1.59 0.24 0.00 0.00 174.94 173.98 1u8g s LYS 55 N -2.78 4.52 0.06 0.37 0.00 -1.26 -1.82 119.74 118.82 1u8g s LYS 55 Ca 0.11 1.11 0.01 0.00 0.00 0.00 0.00 55.97 57.19 1u8g s LYS 55 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 37.83 34.39 1u8g s LYS 55 CO 0.04 0.28 -0.05 0.14 0.00 0.00 0.00 175.35 175.75 1u8g s VAL 56 N -0.06 0.44 0.01 1.79 -7.23 0.53 -4.37 120.40 111.52 1u8g s VAL 56 Ca 0.39 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1u8g s VAL 56 Cb -0.21 -1.14 -0.06 0.00 0.56 0.00 0.00 36.38 35.54 1u8g s VAL 56 CO 0.24 -0.72 0.40 -0.13 -0.31 0.00 0.00 175.10 174.58 1u8g s ARG 57 N -2.90 3.88 -0.26 4.82 0.52 -0.27 -2.19 118.95 122.55 1u8g s ARG 57 Ca 0.01 0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 55.53 1u8g s ARG 57 Cb -0.00 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1u8g s ARG 57 CO -0.04 0.67 0.02 -1.14 0.02 0.00 0.00 175.30 174.83 1u8g s GLN 58 N -1.21 3.23 -0.16 3.54 0.74 -0.59 0.07 119.66 125.29 1u8g s GLN 58 Ca 0.25 -0.74 -0.05 0.00 0.05 0.00 0.00 55.36 54.87 1u8g s GLN 58 Cb -0.16 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 1u8g s GLN 58 CO 0.14 -0.32 0.00 0.71 -0.55 0.00 0.00 175.29 175.27 1u8g s TYR 59 N 1.48 3.12 0.19 1.67 1.51 -0.48 -2.37 117.35 122.47 1u8g s TYR 59 Ca 0.04 -0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1u8g s TYR 59 Cb -0.16 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1u8g s TYR 59 CO -0.00 0.08 0.46 -0.51 -1.11 0.00 0.00 175.55 174.47 1u8g s ASP 60 N 0.27 6.55 -1.12 2.29 1.01 -1.26 -0.92 116.67 123.49 1u8g s ASP 60 Ca -0.00 0.75 -0.12 0.00 0.71 0.00 0.00 52.55 53.89 1u8g s ASP 60 Cb -0.13 -2.15 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1u8g s ASP 60 CO 0.02 -0.01 0.85 0.00 0.21 0.00 0.00 175.17 176.23 1u8g n GLN 61 N -0.05 -2.17 -4.33 8.23 6.02 -1.11 -4.87 117.38 119.11 1u8g n GLN 61 Ca -0.01 0.67 -0.35 0.00 -0.01 0.00 0.00 57.00 57.30 1u8g n GLN 61 Cb 0.52 -5.04 -0.09 0.00 1.02 0.00 0.00 30.24 26.65 1u8g n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1u8g s ILE 62 N -3.45 4.42 0.17 5.09 -1.09 -0.10 -4.76 121.20 121.49 1u8g s ILE 62 Ca 0.41 -0.20 -0.17 0.00 -2.23 0.00 0.00 60.65 58.46 1u8g s ILE 62 Cb -0.10 -2.87 -0.07 0.00 -1.58 0.00 0.00 42.46 37.84 1u8g s ILE 62 CO 0.80 0.60 0.63 -0.22 -1.23 0.00 0.00 174.94 175.52 1u8g s LEU 63 N -0.87 4.36 -0.17 2.97 0.20 -1.26 -1.02 118.68 122.89 1u8g s LEU 63 Ca 0.13 1.25 -0.15 0.00 0.69 0.00 0.00 54.13 56.05 1u8g s LEU 63 Cb -0.11 -3.37 0.05 0.00 -0.43 0.00 0.00 46.19 42.32 1u8g s LEU 63 CO 0.02 0.09 0.45 -0.51 -0.29 0.00 0.00 176.35 176.12 1u8g s ILE 64 N -1.45 -0.00 -0.23 6.68 2.07 0.27 -4.48 121.20 124.04 1u8g s ILE 64 Ca 0.39 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.61 1u8g s ILE 64 Cb -0.16 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.80 1u8g s ILE 64 CO 0.20 0.00 -0.04 -0.70 -1.91 0.00 0.00 174.94 172.49 1u8g s GLU 65 N 0.41 3.15 -0.28 3.50 2.12 -0.58 -0.09 118.70 126.93 1u8g s GLU 65 Ca -0.01 -0.77 -0.00 0.00 0.36 0.00 0.00 54.97 54.54 1u8g s GLU 65 Cb -0.04 -3.01 0.05 0.00 0.26 0.00 0.00 34.13 31.39 1u8g s GLU 65 CO -0.01 -0.29 -0.05 0.42 -0.54 0.00 0.00 175.26 174.79 1u8g s ILE 66 N 1.42 2.69 -1.34 -3.70 1.01 0.14 -1.16 121.20 120.26 1u8g s ILE 66 Ca 0.04 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1u8g s ILE 66 Cb -0.15 -2.52 0.09 0.00 0.01 0.00 0.00 42.46 39.89 1u8g s ILE 66 CO -0.04 -0.02 0.55 0.00 0.00 0.00 0.00 174.94 175.43 1u8g n GLY 68 N -1.20 0.40 3.60 0.00 0.00 -1.26 -5.03 105.19 101.68 1u8g n GLY 68 Ca 0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1u8g n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u8g s HIS 69 N -1.78 3.02 0.17 1.61 3.76 -1.07 -5.10 115.29 115.90 1u8g s HIS 69 Ca 0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1u8g s HIS 69 Cb 0.00 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 1u8g s HIS 69 CO 0.00 0.31 0.36 0.15 -0.85 0.00 0.00 174.74 174.70 1u8g s LYS 70 N -0.62 3.51 -0.03 1.40 1.02 -1.26 -0.69 119.74 123.06 1u8g s LYS 70 Ca 0.10 -0.36 -0.16 0.00 0.02 0.00 0.00 55.97 55.56 1u8g s LYS 70 Cb -0.12 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.34 1u8g s LYS 70 CO 0.02 0.45 0.35 0.00 -0.92 0.00 0.00 175.35 175.25 1u8g s ALA 71 N -1.79 -0.90 -0.03 5.17 0.00 0.87 -4.77 121.76 120.32 1u8g s ALA 71 Ca 0.38 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1u8g s ALA 71 Cb -0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.98 1u8g s ALA 71 CO 0.28 -0.26 -0.14 0.42 0.00 0.00 0.00 175.76 176.06 1u8g s ILE 72 N -1.12 1.20 -1.44 0.00 1.01 -1.26 -0.57 121.20 119.02 1u8g s ILE 72 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1u8g s ILE 72 Cb -0.04 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.40 1u8g s ILE 72 CO 0.04 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1u8g n GLY 73 N 3.07 -0.99 3.79 6.18 0.00 -0.19 -4.86 105.19 112.19 1u8g n GLY 73 Ca -0.17 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 1u8g n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u8g s THR 74 N -3.00 4.17 -0.03 2.61 2.01 -1.26 -0.92 115.64 119.22 1u8g s THR 74 Ca 0.00 1.67 -0.02 0.00 0.31 0.00 0.00 61.69 63.65 1u8g s THR 74 Cb 0.00 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.66 1u8g s THR 74 CO 0.00 0.02 0.06 -0.69 -0.69 0.00 0.00 174.62 173.31 1u8g s VAL 75 N -1.75 -0.02 0.04 3.82 1.01 -0.10 -4.43 120.40 118.97 1u8g s VAL 75 Ca 0.54 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.63 1u8g s VAL 75 Cb -0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 1u8g s VAL 75 CO 0.22 0.03 -0.08 -0.76 0.00 0.00 0.00 175.10 174.50 1u8g s LEU 76 N 0.37 3.09 -0.06 3.92 1.43 -0.20 -1.38 118.68 125.85 1u8g s LEU 76 Ca -0.03 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 1u8g s LEU 76 Cb -0.04 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.37 1u8g s LEU 76 CO -0.01 0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 175.95 1u8g s VAL 77 N -1.06 1.48 0.00 -1.59 1.01 0.11 -0.79 120.40 119.56 1u8g s VAL 77 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1u8g s VAL 77 Cb -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1u8g s VAL 77 CO 0.09 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1u8g n GLY 78 N 3.39 0.79 2.02 4.51 0.00 0.24 -1.12 105.19 115.02 1u8g n GLY 78 Ca -0.20 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 1u8g n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u8g n PRO 79 N 0.00 2.10 -2.92 1.61 -0.04 -1.26 -3.07 135.00 131.43 1u8g n PRO 79 Ca 0.00 -1.08 -0.37 0.00 -0.04 0.00 0.00 63.50 62.02 1u8g n PRO 79 Cb 0.00 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 1u8g n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1u8g s THR 80 N 1.09 4.36 0.08 0.52 -1.32 -1.26 -4.96 115.64 114.16 1u8g s THR 80 Ca 0.67 1.61 0.33 0.00 -1.21 0.00 0.00 61.69 63.09 1u8g s THR 80 Cb 0.31 -3.97 0.38 0.00 -1.51 0.00 0.00 72.50 67.71 1u8g s THR 80 CO -0.00 0.20 1.99 1.55 -2.21 0.00 0.00 174.62 176.14 1u8g h PRO 81 N 3.36 0.00 -2.94 7.08 0.13 -1.99 -3.43 132.00 134.20 1u8g h PRO 81 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1u8g h PRO 81 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1u8g h PRO 81 CO 0.65 0.00 -0.29 0.08 -0.23 0.00 0.00 178.00 178.21 1u8g s VAL 82 N -3.68 0.02 0.17 1.56 1.01 -1.26 -5.10 120.40 113.13 1u8g s VAL 82 Ca 0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1u8g s VAL 82 Cb 0.09 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 1u8g s VAL 82 CO 0.50 -0.11 1.02 0.20 0.00 0.00 0.00 175.10 176.71 1u8g s ASN 83 N -0.46 7.42 -0.05 3.32 0.01 -1.26 -4.69 114.94 119.22 1u8g s ASN 83 Ca -0.06 1.98 0.02 0.00 -0.71 0.00 0.00 52.86 54.09 1u8g s ASN 83 Cb -0.04 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1u8g s ASN 83 CO 0.02 -0.09 -0.07 0.27 -1.51 0.00 0.00 177.10 175.72 1u8g s ILE 84 N -0.40 0.74 -0.32 0.60 -4.36 -0.14 -1.51 121.20 115.81 1u8g s ILE 84 Ca 0.47 -0.25 -0.14 0.00 -0.26 0.00 0.00 60.65 60.47 1u8g s ILE 84 Cb -0.27 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1u8g s ILE 84 CO 0.33 0.27 0.29 -0.63 0.24 0.00 0.00 174.94 175.44 1u8g s ILE 85 N 0.79 5.23 0.52 8.37 -1.09 -0.22 -1.79 121.20 133.02 1u8g s ILE 85 Ca -0.13 0.06 0.05 0.00 -2.23 0.00 0.00 60.65 58.41 1u8g s ILE 85 Cb -0.15 -3.71 0.09 0.00 -1.58 0.00 0.00 42.46 37.11 1u8g s ILE 85 CO 0.02 0.04 0.72 0.61 -1.23 0.00 0.00 174.94 175.09 1u8g n GLY 86 N 4.99 1.52 0.20 6.18 0.00 -1.23 -1.91 105.19 114.93 1u8g n GLY 86 Ca -0.11 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.80 1u8g n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8g h ARG 87 N 0.00 0.00 -0.78 1.61 3.08 -0.54 -2.16 114.38 115.59 1u8g h ARG 87 Ca -0.24 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.00 1u8g h ARG 87 Cb 1.02 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.03 1u8g h ARG 87 CO 0.31 0.32 0.54 -2.95 -1.07 0.00 0.00 179.97 177.12 1u8g h ASN 88 N 0.00 0.23 0.00 7.04 -1.07 -1.75 -1.02 115.58 119.01 1u8g h ASN 88 Ca -0.00 0.02 -0.28 0.00 0.07 0.00 0.00 56.30 56.11 1u8g h ASN 88 Cb 0.58 -0.02 -0.05 0.00 -2.07 0.00 0.00 38.32 36.75 1u8g h ASN 88 CO 0.04 0.10 -2.06 0.18 0.07 0.00 0.00 177.43 175.77 1u8g n LEU 89 N -4.42 1.26 -0.36 6.14 4.77 -1.06 -4.24 117.00 119.08 1u8g n LEU 89 Ca 0.16 -0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1u8g n LEU 89 Cb 0.69 -0.07 0.25 0.00 -2.33 0.00 0.00 43.42 41.97 1u8g n LEU 89 CO 0.34 0.56 1.23 -0.07 -1.33 0.00 0.00 177.39 178.12 1u8g h LEU 90 N 0.00 0.90 -1.13 2.23 3.38 -1.17 -1.89 115.31 117.63 1u8g h LEU 90 Ca -0.42 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1u8g h LEU 90 Cb 1.82 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 42.42 1u8g h LEU 90 CO -0.02 0.45 0.23 0.71 0.09 0.00 0.00 178.44 179.91 1u8g h THR 91 N 0.95 1.21 0.00 0.22 1.35 -1.38 0.55 112.91 115.82 1u8g h THR 91 Ca 0.51 -0.66 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 1u8g h THR 91 Cb 0.57 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1u8g h THR 91 CO -0.29 0.26 -0.19 1.56 -0.25 0.00 0.00 175.52 176.61 1u8g h GLN 92 N 0.84 0.00 -0.61 4.72 4.20 -1.53 -1.78 115.11 120.95 1u8g h GLN 92 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1u8g h GLN 92 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1u8g h GLN 92 CO -0.02 0.19 0.00 0.44 -0.67 0.00 0.00 178.83 178.78 1u8g n ILE 93 N -3.49 0.82 -2.04 2.54 -5.35 -1.05 -4.94 119.36 105.85 1u8g n ILE 93 Ca -0.01 -0.84 -0.01 0.00 -0.27 0.00 0.00 62.75 61.63 1u8g n ILE 93 Cb 0.36 0.46 -0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1u8g n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u8g n GLY 94 N 1.51 0.36 3.68 3.28 0.00 -0.67 -5.01 105.19 108.34 1u8g n GLY 94 Ca 0.21 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1u8g n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8g s THR 96 N 1.75 1.81 -0.12 0.00 -4.23 -1.26 -4.74 115.64 108.86 1u8g s THR 96 Ca 0.37 -2.04 -0.06 0.00 -1.18 0.00 0.00 61.69 58.78 1u8g s THR 96 Cb -0.17 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1u8g s THR 96 CO 0.14 -0.42 0.12 -0.76 -0.54 0.00 0.00 174.62 173.16 1u8g s LEU 97 N -2.92 4.25 -0.03 4.79 1.43 -1.26 -5.07 118.68 119.87 1u8g s LEU 97 Ca 0.18 0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1u8g s LEU 97 Cb -0.04 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1u8g s LEU 97 CO 0.07 0.39 0.01 0.20 0.23 0.00 0.00 176.35 177.25 1u8g s ASN 98 N -0.91 0.52 0.00 2.29 0.01 -1.26 -5.29 114.94 110.30 1u8g s ASN 98 Ca 0.14 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1u8g s ASN 98 Cb -0.12 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1u8g s ASN 98 CO 0.03 -0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.72