#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uaw s LYS 21 N 0.00 3.60 0.98 0.00 -2.85 -1.26 -4.66 119.74 115.54 1uaw s LYS 21 Ca 0.00 1.11 -0.15 0.00 -1.00 0.00 0.00 55.97 55.93 1uaw s LYS 21 Cb 0.00 -2.08 0.18 0.00 -2.06 0.00 0.00 37.83 33.88 1uaw s LYS 21 CO 0.00 -0.57 1.19 0.00 0.10 0.00 0.00 175.35 176.07 1uaw s MET 22 N -4.04 0.57 -0.14 1.78 0.23 0.08 -4.36 119.30 113.41 1uaw s MET 22 Ca 0.62 -0.01 -0.13 0.00 -1.03 0.00 0.00 55.69 55.14 1uaw s MET 22 Cb -0.14 -1.80 0.04 0.00 -1.53 0.00 0.00 34.83 31.40 1uaw s MET 22 CO 0.34 -2.53 0.38 0.12 -2.03 0.00 0.00 175.02 171.30 1uaw s PHE 23 N -3.43 -0.43 0.13 3.16 5.36 -0.66 -1.67 117.98 120.44 1uaw s PHE 23 Ca 0.68 1.03 0.05 0.00 -0.96 0.00 0.00 56.93 57.73 1uaw s PHE 23 Cb -0.10 0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.69 1uaw s PHE 23 CO 0.53 -0.21 0.09 0.42 -1.46 0.00 0.00 175.22 174.59 1uaw s ILE 24 N 0.27 4.34 -0.02 3.12 -1.09 0.21 -0.31 121.20 127.72 1uaw s ILE 24 Ca -0.01 -1.02 0.05 0.00 -2.23 0.00 0.00 60.65 57.44 1uaw s ILE 24 Cb -0.03 -3.16 -0.01 0.00 -1.58 0.00 0.00 42.46 37.68 1uaw s ILE 24 CO -0.00 -0.01 -0.17 -0.83 -1.23 0.00 0.00 174.94 172.69 1uaw s GLY 25 N -2.78 0.85 -1.38 6.18 0.00 -1.13 -2.50 107.32 106.56 1uaw s GLY 25 Ca 0.29 -0.73 -0.07 0.00 0.00 0.00 0.00 44.72 44.21 1uaw s GLY 25 CO 0.22 -0.57 0.99 0.61 0.00 0.00 0.00 173.10 174.34 1uaw n GLY 26 N 2.73 -0.45 3.77 0.20 0.00 -1.14 -0.59 105.19 109.72 1uaw n GLY 26 Ca -0.15 0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1uaw n GLY 26 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1uaw s LEU 27 N -7.03 4.39 0.06 0.99 2.34 -0.76 -3.81 118.68 114.87 1uaw s LEU 27 Ca 0.40 2.11 -0.36 0.00 0.06 0.00 0.00 54.13 56.35 1uaw s LEU 27 Cb -0.19 -3.86 -0.19 0.00 -0.56 0.00 0.00 46.19 41.39 1uaw s LEU 27 CO 0.78 -0.23 0.89 -1.20 -1.06 0.00 0.00 176.35 175.53 1uaw n SER 28 N 0.70 -0.36 0.22 1.48 7.64 -1.26 -4.66 113.62 117.37 1uaw n SER 28 Ca 0.01 1.13 0.15 0.00 1.01 0.00 0.00 58.87 61.17 1uaw n SER 28 Cb 0.47 -0.91 0.58 0.00 -1.01 0.00 0.00 64.21 63.34 1uaw n SER 28 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1uaw h TRP 29 N 2.36 0.00 0.00 1.43 5.08 -1.93 -2.81 115.95 120.09 1uaw h TRP 29 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.54 1uaw h TRP 29 Cb 1.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.56 1uaw h TRP 29 CO 0.51 0.00 -0.87 -0.56 -1.28 0.00 0.00 178.44 176.25 1uaw h GLN 30 N 0.00 0.00 0.00 0.12 3.07 -2.01 -3.47 115.11 112.82 1uaw h GLN 30 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 1uaw h GLN 30 Cb 0.50 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.12 1uaw h GLN 30 CO 0.00 0.00 -0.05 -2.37 0.09 0.00 0.00 178.83 176.50 1uaw n THR 31 N -2.47 0.00 -3.73 1.86 5.66 -1.06 -5.05 114.28 109.48 1uaw n THR 31 Ca 0.01 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.97 1uaw n THR 31 Cb 0.51 -0.27 -0.01 0.00 -1.55 0.00 0.00 70.33 69.01 1uaw n THR 31 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1uaw n THR 32 N -3.63 0.00 0.00 1.09 5.66 -1.26 -5.04 114.28 111.09 1uaw n THR 32 Ca 0.04 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 1uaw n THR 32 Cb 0.16 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1uaw n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uaw n GLN 33 N -0.16 0.00 -0.32 1.09 6.02 -1.26 -2.57 117.38 120.18 1uaw n GLN 33 Ca 0.00 0.29 0.15 0.00 -0.01 0.00 0.00 57.00 57.43 1uaw n GLN 33 Cb 0.16 -0.84 0.34 0.00 1.02 0.00 0.00 30.24 30.92 1uaw n GLN 33 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1uaw h GLU 34 N 0.00 0.45 -0.23 -1.09 4.81 -1.97 2.53 114.58 119.09 1uaw h GLU 34 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1uaw h GLU 34 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1uaw h GLU 34 CO 0.00 0.30 0.18 0.78 -0.73 0.00 0.00 179.01 179.54 1uaw h GLY 35 N 0.47 0.00 1.19 1.92 0.00 -1.98 0.84 103.07 105.51 1uaw h GLY 35 Ca 0.60 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.60 1uaw h GLY 35 CO -0.51 0.00 -1.55 -2.00 0.00 0.00 0.00 176.54 172.48 1uaw h LEU 36 N 0.00 0.65 -2.09 3.11 5.85 0.44 -1.29 115.31 121.98 1uaw h LEU 36 Ca 0.11 -0.80 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 1uaw h LEU 36 Cb 0.46 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1uaw h LEU 36 CO -0.00 1.65 -0.06 0.03 -0.34 0.00 0.00 178.44 179.71 1uaw h ARG 37 N 0.11 0.00 0.00 1.25 3.08 0.28 0.16 114.38 119.26 1uaw h ARG 37 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1uaw h ARG 37 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.15 1uaw h ARG 37 CO 0.22 0.06 -0.72 1.05 -1.07 0.00 0.00 179.97 179.51 1uaw h GLU 38 N 0.00 0.00 0.01 0.04 -0.00 0.58 0.18 114.58 115.40 1uaw h GLU 38 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.15 1uaw h GLU 38 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.86 1uaw h GLU 38 CO 0.01 0.00 -0.99 -0.92 -0.00 0.00 0.00 179.01 177.11 1uaw h TYR 39 N 0.00 0.05 0.00 2.06 5.03 0.52 -3.22 116.97 121.41 1uaw h TYR 39 Ca 0.00 -0.04 -0.11 0.00 2.58 0.00 0.00 58.73 61.16 1uaw h TYR 39 Cb 0.96 -0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 1uaw h TYR 39 CO 0.00 0.99 -1.68 1.19 -1.32 0.00 0.00 178.16 177.35 1uaw n PHE 40 N -3.41 0.00 0.62 -3.82 3.72 -0.75 -4.30 117.46 109.53 1uaw n PHE 40 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.46 1uaw n PHE 40 Cb 0.92 -0.43 0.35 0.00 -0.94 0.00 0.00 39.48 39.38 1uaw n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uaw n GLY 41 N 2.07 -0.91 0.06 1.37 0.00 0.64 -1.40 105.19 107.02 1uaw n GLY 41 Ca -0.11 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1uaw n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1uaw h GLN 42 N 0.00 0.05 -0.22 1.61 4.15 -1.74 -3.24 115.11 115.72 1uaw h GLN 42 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1uaw h GLN 42 Cb 0.20 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1uaw h GLN 42 CO 0.00 0.23 0.00 1.97 -1.93 0.00 0.00 178.83 179.10 1uaw n PHE 43 N -4.97 0.40 0.00 3.99 1.16 -1.15 -4.98 117.46 111.91 1uaw n PHE 43 Ca -0.07 -0.61 0.00 0.00 -1.87 0.00 0.00 57.45 54.90 1uaw n PHE 43 Cb 0.12 -0.09 0.00 0.00 -1.61 0.00 0.00 39.48 37.90 1uaw n PHE 43 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1uaw n GLY 44 N -0.08 3.72 0.00 4.97 0.00 -0.50 -3.61 105.19 109.70 1uaw n GLY 44 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1uaw n GLY 44 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1uaw n GLU 45 N 0.00 0.00 -3.16 1.61 0.28 -1.24 -4.77 120.64 113.36 1uaw n GLU 45 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.61 1uaw n GLU 45 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 1uaw n GLU 45 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1uaw s VAL 46 N 0.00 5.07 -0.10 3.84 1.01 -1.26 -3.94 120.40 125.02 1uaw s VAL 46 Ca 0.00 1.17 0.13 0.00 0.00 0.00 0.00 61.98 63.29 1uaw s VAL 46 Cb 0.00 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 1uaw s VAL 46 CO 0.00 0.20 0.14 0.29 0.00 0.00 0.00 175.10 175.73 1uaw n LYS 47 N 4.41 1.31 -3.65 2.72 4.76 -1.26 -4.93 118.16 121.51 1uaw n LYS 47 Ca -0.03 -0.05 -0.09 0.00 -2.87 0.00 0.00 58.31 55.28 1uaw n LYS 47 Cb 0.51 -1.37 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 1uaw n LYS 47 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1uaw s GLU 48 N -2.56 0.69 0.04 1.97 -1.05 -1.26 -5.04 118.70 111.49 1uaw s GLU 48 Ca -0.07 1.12 -0.14 0.00 -0.15 0.00 0.00 54.97 55.73 1uaw s GLU 48 Cb 0.06 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.94 1uaw s GLU 48 CO 0.60 -0.14 0.32 0.00 0.95 0.00 0.00 175.26 176.99 1uaw s LEU 50 N -2.02 1.75 0.61 0.00 0.05 0.86 -4.89 118.68 115.04 1uaw s LEU 50 Ca -0.05 -0.43 -0.02 0.00 0.05 0.00 0.00 54.13 53.67 1uaw s LEU 50 Cb -0.01 -1.10 0.04 0.00 -2.05 0.00 0.00 46.19 43.07 1uaw s LEU 50 CO -0.03 0.03 0.87 -0.69 -0.55 0.00 0.00 176.35 175.98 1uaw s VAL 51 N 0.91 2.64 0.00 1.48 1.01 -1.26 0.29 120.40 125.47 1uaw s VAL 51 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1uaw s VAL 51 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1uaw s VAL 51 CO -0.00 -0.05 0.00 1.15 0.00 0.00 0.00 175.10 176.20 1uaw n MET 52 N -2.57 0.00 -3.68 2.72 0.00 0.82 -4.64 117.12 109.77 1uaw n MET 52 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.67 1uaw n MET 52 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.71 1uaw n MET 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1uaw s ARG 53 N 0.00 0.29 -0.74 3.17 6.06 -1.26 -2.67 118.95 123.80 1uaw s ARG 53 Ca 0.00 0.82 -0.34 0.00 -2.50 0.00 0.00 55.73 53.71 1uaw s ARG 53 Cb 0.00 0.07 -0.18 0.00 0.06 0.00 0.00 34.95 34.90 1uaw s ARG 53 CO 0.00 -0.21 2.47 -3.47 -2.50 0.00 0.00 175.30 171.58 1uaw n ASP 54 N 4.83 0.85 -4.55 -2.12 -0.08 -1.26 -4.72 116.55 109.49 1uaw n ASP 54 Ca -0.15 0.26 -0.28 0.00 -1.51 0.00 0.00 54.79 53.10 1uaw n ASP 54 Cb 0.52 -1.03 -0.04 0.00 2.34 0.00 0.00 41.12 42.91 1uaw n ASP 54 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 1uaw s PRO 55 N 7.84 1.96 -0.20 -0.67 0.01 -1.26 -4.76 135.00 137.92 1uaw s PRO 55 Ca 1.25 0.97 -0.21 0.00 0.01 0.00 0.00 61.00 63.02 1uaw s PRO 55 Cb -1.15 -4.66 -0.19 0.00 0.01 0.00 0.00 34.50 28.50 1uaw s PRO 55 CO 0.51 -3.68 0.22 -0.07 0.01 0.00 0.00 177.00 173.99 1uaw h LEU 56 N 20.44 0.03 0.00 -5.54 3.38 -1.97 -3.49 115.31 128.16 1uaw h LEU 56 Ca -0.14 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1uaw h LEU 56 Cb 1.16 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1uaw h LEU 56 CO 1.11 1.52 0.00 1.07 0.09 0.00 0.00 178.44 182.23 1uaw n THR 57 N -4.38 0.00 -1.92 0.22 5.66 -1.26 -4.97 114.28 107.64 1uaw n THR 57 Ca -0.32 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1uaw n THR 57 Cb 0.71 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 1uaw n THR 57 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1uaw n LYS 58 N 0.00 0.00 0.00 1.09 -0.00 -1.26 -5.12 118.16 112.87 1uaw n LYS 58 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 1uaw n LYS 58 Cb 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 35.03 34.89 1uaw n LYS 58 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1uaw n ARG 59 N 0.00 1.38 0.00 -1.58 -4.01 -1.26 -4.99 116.66 106.19 1uaw n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1uaw n ARG 59 Cb 0.54 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.96 1uaw n ARG 59 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1uaw n SER 60 N 0.00 0.00 -1.15 2.89 2.88 -1.26 -5.00 113.62 111.98 1uaw n SER 60 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1uaw n SER 60 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1uaw n SER 60 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1uaw n ARG 61 N 0.00 0.00 -0.18 -1.46 1.74 -1.26 -5.06 116.66 110.44 1uaw n ARG 61 Ca 0.00 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1uaw n ARG 61 Cb 0.00 0.19 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 1uaw n ARG 61 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uaw n GLY 62 N 0.21 0.11 2.05 -0.13 0.00 -1.26 -4.81 105.19 101.37 1uaw n GLY 62 Ca -0.10 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 1uaw n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1uaw n PHE 63 N 2.25 -0.31 -3.66 1.61 1.16 -1.09 -1.82 117.46 115.60 1uaw n PHE 63 Ca 0.00 -1.73 -0.29 0.00 -1.87 0.00 0.00 57.45 53.55 1uaw n PHE 63 Cb 0.00 0.12 -0.15 0.00 -1.61 0.00 0.00 39.48 37.84 1uaw n PHE 63 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1uaw s GLY 64 N -2.51 0.82 0.13 4.97 0.00 -1.04 0.29 107.32 109.98 1uaw s GLY 64 Ca 0.21 -1.37 -0.29 0.00 0.00 0.00 0.00 44.72 43.27 1uaw s GLY 64 CO 0.15 1.77 0.91 -1.36 0.00 0.00 0.00 173.10 174.57 1uaw s PHE 65 N 1.82 3.84 -0.24 1.90 0.08 0.14 0.65 117.98 126.17 1uaw s PHE 65 Ca 0.09 1.75 -0.03 0.00 0.12 0.00 0.00 56.93 58.86 1uaw s PHE 65 Cb -0.17 -2.97 0.11 0.00 -0.57 0.00 0.00 43.02 39.42 1uaw s PHE 65 CO -0.28 0.29 0.25 0.08 -0.10 0.00 0.00 175.22 175.46 1uaw s VAL 66 N -0.32 -0.36 -0.11 -0.44 1.01 -0.67 -0.10 120.40 119.42 1uaw s VAL 66 Ca 0.43 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1uaw s VAL 66 Cb -0.23 -0.80 -0.12 0.00 0.00 0.00 0.00 36.38 35.23 1uaw s VAL 66 CO 0.29 -0.30 3.02 0.41 0.00 0.00 0.00 175.10 178.52 1uaw n THR 67 N 5.32 2.84 -0.90 3.92 -1.04 0.09 -0.74 114.28 123.76 1uaw n THR 67 Ca -0.04 -1.58 -0.26 0.00 -2.04 0.00 0.00 64.05 60.13 1uaw n THR 67 Cb 0.48 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 1uaw n THR 67 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1uaw n PHE 68 N 1.84 1.60 -1.69 -1.42 -1.74 -1.26 -4.20 117.46 110.59 1uaw n PHE 68 Ca 0.34 -2.24 -0.63 0.00 -0.56 0.00 0.00 57.45 54.36 1uaw n PHE 68 Cb 0.74 -1.89 -0.09 0.00 1.52 0.00 0.00 39.48 39.77 1uaw n PHE 68 CO 0.00 0.00 0.00 -0.12 -0.56 0.00 0.00 176.76 176.08 1uaw n MET 69 N 3.94 0.37 -0.50 3.97 1.56 -1.25 -4.37 117.12 120.82 1uaw n MET 69 Ca 0.54 0.13 0.00 0.00 -0.27 0.00 0.00 57.70 58.10 1uaw n MET 69 Cb 0.19 -1.69 0.00 0.00 2.15 0.00 0.00 33.22 33.87 1uaw n MET 69 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 1uaw n ASP 70 N 3.84 0.00 0.00 6.12 5.75 -1.26 -4.72 116.55 126.28 1uaw n ASP 70 Ca 0.27 -0.35 0.00 0.00 -0.01 0.00 0.00 54.79 54.71 1uaw n ASP 70 Cb 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1uaw n ASP 70 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uaw n GLN 71 N 0.00 0.00 0.24 0.11 6.02 -1.26 -4.83 117.38 117.66 1uaw n GLN 71 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.10 1uaw n GLN 71 Cb 0.00 0.00 0.54 0.00 1.02 0.00 0.00 30.24 31.80 1uaw n GLN 71 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uaw h ALA 72 N 0.86 1.07 -0.78 -1.58 0.00 -2.01 -3.05 119.26 113.76 1uaw h ALA 72 Ca 0.00 -0.17 0.17 0.00 0.00 0.00 0.00 54.91 54.91 1uaw h ALA 72 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 1uaw h ALA 72 CO 0.00 0.23 0.26 0.78 0.00 0.00 0.00 179.25 180.53 1uaw h GLY 73 N 1.80 1.18 -0.33 0.00 0.00 -1.89 -0.26 103.07 103.57 1uaw h GLY 73 Ca -0.00 -0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.34 1uaw h GLY 73 CO 0.02 -0.19 -0.25 -2.08 0.00 0.00 0.00 176.54 174.04 1uaw h VAL 74 N 0.35 0.26 -0.29 4.60 2.07 -1.83 0.12 116.25 121.53 1uaw h VAL 74 Ca 0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.03 1uaw h VAL 74 Cb 0.77 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1uaw h VAL 74 CO -0.49 0.00 -0.08 -0.78 0.02 0.00 0.00 177.57 176.25 1uaw h ASP 75 N -0.10 -0.28 -0.72 0.57 1.82 -1.25 0.09 116.42 116.54 1uaw h ASP 75 Ca 0.26 0.09 0.10 0.00 -0.39 0.00 0.00 57.03 57.08 1uaw h ASP 75 Cb 0.52 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 1uaw h ASP 75 CO -0.65 -0.10 0.48 0.11 -1.61 0.00 0.00 179.24 177.47 1uaw h LYS 76 N -0.00 0.60 0.65 0.28 1.79 -0.63 -2.28 116.57 116.97 1uaw h LYS 76 Ca 0.14 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1uaw h LYS 76 Cb 0.22 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 1uaw h LYS 76 CO -0.30 0.40 -0.35 0.28 -1.08 0.00 0.00 179.45 178.39 1uaw h VAL 77 N 0.62 0.28 -0.96 0.50 2.07 0.11 -1.93 116.25 116.94 1uaw h VAL 77 Ca 0.33 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.15 1uaw h VAL 77 Cb 0.48 0.28 -0.15 0.00 -1.52 0.00 0.00 31.29 30.38 1uaw h VAL 77 CO -0.12 0.00 0.45 -0.07 0.02 0.00 0.00 177.57 177.86 1uaw h LEU 78 N -0.93 0.33 -1.79 2.57 4.07 -0.97 1.75 115.31 120.34 1uaw h LEU 78 Ca -0.08 0.20 0.32 0.00 0.08 0.00 0.00 57.88 58.39 1uaw h LEU 78 Cb 0.73 0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 1uaw h LEU 78 CO 0.12 -0.15 0.92 0.00 -1.08 0.00 0.00 178.44 178.25 1uaw h ALA 79 N 1.83 2.97 -0.72 1.53 0.00 -1.09 2.25 119.26 126.04 1uaw h ALA 79 Ca 0.68 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 55.30 1uaw h ALA 79 Cb 1.49 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 19.22 1uaw h ALA 79 CO -0.63 -1.48 0.29 1.04 0.00 0.00 0.00 179.25 178.46 1uaw n GLN 80 N -3.83 3.36 0.22 0.00 1.13 0.60 -4.47 117.38 114.38 1uaw n GLN 80 Ca 0.24 -3.08 0.12 0.00 -1.94 0.00 0.00 57.00 52.34 1uaw n GLN 80 Cb 1.28 -2.17 0.65 0.00 0.11 0.00 0.00 30.24 30.11 1uaw n GLN 80 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1uaw h SER 81 N 2.28 0.00 0.12 1.08 4.64 0.38 1.00 113.55 123.05 1uaw h SER 81 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1uaw h SER 81 Cb 2.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.41 1uaw h SER 81 CO 0.74 0.00 -0.82 -2.11 -0.87 0.00 0.00 176.83 173.77 1uaw n ARG 82 N -2.42 0.11 -2.33 4.77 1.85 -1.26 -4.30 116.66 113.08 1uaw n ARG 82 Ca -0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 1uaw n ARG 82 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 1uaw n ARG 82 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1uaw n HIS 83 N -1.37 0.00 -3.27 2.89 -0.00 0.35 -3.76 115.22 110.06 1uaw n HIS 83 Ca 0.05 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.84 1uaw n HIS 83 Cb 0.34 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.15 1uaw n HIS 83 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 1uaw s GLU 84 N -2.71 4.22 0.00 1.57 2.12 -1.21 -1.43 118.70 121.26 1uaw s GLU 84 Ca 0.00 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.74 1uaw s GLU 84 Cb 0.00 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.86 1uaw s GLU 84 CO 0.00 -0.07 0.00 1.47 -0.54 0.00 0.00 175.26 176.12 1uaw n LEU 85 N 4.51 0.00 -2.35 2.70 -0.00 -0.93 -4.91 117.00 116.02 1uaw n LEU 85 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.77 1uaw n LEU 85 Cb 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 1uaw n LEU 85 CO 0.42 0.00 2.08 0.47 -0.00 0.00 0.00 177.39 180.36 1uaw n ASP 86 N 0.00 6.13 0.00 1.45 8.00 -1.26 -4.44 116.55 126.43 1uaw n ASP 86 Ca 0.00 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.00 1uaw n ASP 86 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.65 1uaw n ASP 86 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1uaw n SER 87 N 2.79 -4.06 -4.33 -2.24 2.88 -1.26 -4.98 113.62 102.42 1uaw n SER 87 Ca 0.52 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.71 1uaw n SER 87 Cb 0.73 -1.65 -0.14 0.00 -0.75 0.00 0.00 64.21 62.40 1uaw n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1uaw s LYS 88 N -0.77 3.42 -1.04 -1.46 -0.14 -1.26 -5.03 119.74 113.47 1uaw s LYS 88 Ca 0.00 -0.61 -0.03 0.00 -1.36 0.00 0.00 55.97 53.98 1uaw s LYS 88 Cb 0.00 -3.03 0.31 0.00 -1.68 0.00 0.00 37.83 33.43 1uaw s LYS 88 CO 0.00 -0.17 1.45 -2.37 -0.76 0.00 0.00 175.35 173.50 1uaw n THR 89 N 4.72 5.14 -0.43 2.17 5.66 -1.23 -2.19 114.28 128.12 1uaw n THR 89 Ca -0.18 -5.89 -0.14 0.00 -3.05 0.00 0.00 64.05 54.79 1uaw n THR 89 Cb 0.51 -2.03 0.14 0.00 -1.55 0.00 0.00 70.33 67.39 1uaw n THR 89 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1uaw n ILE 90 N 1.15 0.00 -3.35 1.09 5.41 -0.51 -4.67 119.36 118.48 1uaw n ILE 90 Ca 0.28 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.77 1uaw n ILE 90 Cb 0.33 -0.45 -0.09 0.00 -0.71 0.00 0.00 39.64 38.72 1uaw n ILE 90 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1uaw s ASP 91 N -2.01 1.34 -0.26 4.38 -1.08 0.25 -3.61 116.67 115.68 1uaw s ASP 91 Ca 0.31 -2.88 -0.33 0.00 -0.52 0.00 0.00 52.55 49.12 1uaw s ASP 91 Cb -0.05 -0.26 -0.10 0.00 -1.46 0.00 0.00 42.92 41.05 1uaw s ASP 91 CO 0.26 -0.18 2.12 -0.81 0.52 0.00 0.00 175.17 177.08 1uaw n PRO 92 N 2.98 1.54 -3.86 4.34 -0.04 -1.26 -2.82 135.00 135.88 1uaw n PRO 92 Ca 0.27 0.47 -0.30 0.00 -0.04 0.00 0.00 63.50 63.90 1uaw n PRO 92 Cb 0.48 -2.68 -0.15 0.00 -0.04 0.00 0.00 33.50 31.10 1uaw n PRO 92 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1uaw s LYS 93 N 5.69 1.16 0.30 0.54 0.00 0.57 -4.79 119.74 123.23 1uaw s LYS 93 Ca 1.03 -1.10 0.02 0.00 0.00 0.00 0.00 55.97 55.93 1uaw s LYS 93 Cb -0.70 -2.43 0.06 0.00 0.00 0.00 0.00 37.83 34.76 1uaw s LYS 93 CO 0.47 -0.80 0.42 0.28 0.00 0.00 0.00 175.35 175.72 1uaw n VAL 94 N 4.71 0.00 -0.65 1.79 0.31 -1.26 -1.66 118.33 121.58 1uaw n VAL 94 Ca -0.05 -0.81 0.07 0.00 -0.01 0.00 0.00 64.34 63.53 1uaw n VAL 94 Cb 0.43 -0.97 -0.04 0.00 -0.91 0.00 0.00 33.84 32.36 1uaw n VAL 94 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uaw n ALA 95 N -2.82 -1.64 0.35 3.52 0.00 -1.26 -4.85 120.51 113.81 1uaw n ALA 95 Ca -0.07 0.40 0.04 0.00 0.00 0.00 0.00 53.44 53.82 1uaw n ALA 95 Cb 0.28 -0.73 0.04 0.00 0.00 0.00 0.00 19.45 19.03 1uaw n ALA 95 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47