#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 1.13 0.90 0.00 -2.85 -1.26 -4.94 119.74 112.72 1uaw s LYS 21 Ca 0.00 -0.73 -0.11 0.00 -1.00 0.00 0.00 55.97 54.12 1uaw s LYS 21 Cb 0.00 0.31 0.19 0.00 -2.06 0.00 0.00 37.83 36.27 1uaw s LYS 21 CO 0.00 -0.53 1.24 0.00 0.10 0.00 0.00 175.35 176.16 1uaw s MET 22 N -2.09 0.83 -0.10 1.78 0.23 0.70 -4.37 119.30 116.29 1uaw s MET 22 Ca 0.24 -0.70 -0.14 0.00 -1.03 0.00 0.00 55.69 54.06 1uaw s MET 22 Cb -0.02 -1.99 0.03 0.00 -1.53 0.00 0.00 34.83 31.32 1uaw s MET 22 CO 0.04 -2.20 0.36 0.12 -2.03 0.00 0.00 175.02 171.32 1uaw s PHE 23 N -3.69 -0.34 -0.01 3.16 2.19 -0.48 -1.65 117.98 117.16 1uaw s PHE 23 Ca 0.73 0.76 0.01 0.00 0.33 0.00 0.00 56.93 58.76 1uaw s PHE 23 Cb -0.03 0.13 -0.04 0.00 -1.31 0.00 0.00 43.02 41.77 1uaw s PHE 23 CO 0.51 -0.28 0.02 0.42 1.83 0.00 0.00 175.22 177.72 1uaw s ILE 24 N -0.36 4.32 -0.09 3.12 1.09 0.36 -0.55 121.20 129.09 1uaw s ILE 24 Ca -0.05 -0.53 -0.00 0.00 -1.10 0.00 0.00 60.65 58.97 1uaw s ILE 24 Cb -0.03 -2.93 0.02 0.00 -1.06 0.00 0.00 42.46 38.45 1uaw s ILE 24 CO 0.02 0.38 -0.06 -0.83 -0.10 0.00 0.00 174.94 174.35 1uaw s GLY 25 N -1.57 0.69 0.00 6.18 0.00 -0.88 -0.90 107.32 110.85 1uaw s GLY 25 Ca 0.20 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1uaw s GLY 25 CO 0.11 0.74 0.00 0.61 0.00 0.00 0.00 173.10 174.55 1uaw n GLY 26 N 4.71 1.60 3.41 0.20 0.00 -0.99 0.27 105.19 114.39 1uaw n GLY 26 Ca -0.14 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 1uaw n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uaw n LEU 27 N 0.00 -0.92 0.00 0.99 4.32 0.98 -3.94 117.00 118.43 1uaw n LEU 27 Ca 0.00 1.13 -0.11 0.00 -0.02 0.00 0.00 56.01 57.02 1uaw n LEU 27 Cb 0.00 -0.94 0.10 0.00 -1.62 0.00 0.00 43.42 40.96 1uaw n LEU 27 CO 0.00 -2.70 0.12 -1.54 -1.22 0.00 0.00 177.39 172.05 1uaw n SER 28 N 1.86 -2.56 0.00 -1.43 3.41 -1.26 -4.78 113.62 108.86 1uaw n SER 28 Ca 0.18 -0.31 0.07 0.00 -0.26 0.00 0.00 58.87 58.56 1uaw n SER 28 Cb 0.20 -0.38 0.40 0.00 -0.26 0.00 0.00 64.21 64.17 1uaw n SER 28 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1uaw n TRP 29 N -3.89 0.00 -1.88 7.33 4.27 -1.26 -3.72 117.44 118.28 1uaw n TRP 29 Ca 0.05 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.66 1uaw n TRP 29 Cb 0.21 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.16 1uaw n TRP 29 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1uaw n GLN 30 N -0.74 0.00 -0.97 -2.67 10.64 -1.26 -5.14 117.38 117.24 1uaw n GLN 30 Ca 0.10 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.93 1uaw n GLN 30 Cb 0.05 0.00 0.11 0.00 -0.86 0.00 0.00 30.24 29.54 1uaw n GLN 30 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1uaw n THR 31 N 0.00 0.84 -4.08 -0.39 -1.04 -1.24 -5.02 114.28 103.34 1uaw n THR 31 Ca 0.00 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 61.62 1uaw n THR 31 Cb 0.46 -0.76 -0.04 0.00 -1.82 0.00 0.00 70.33 68.17 1uaw n THR 31 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1uaw s THR 32 N -2.22 0.00 0.00 12.58 -1.32 -1.26 -4.93 115.64 118.48 1uaw s THR 32 Ca 0.62 -1.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1uaw s THR 32 Cb -0.26 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.08 1uaw s THR 32 CO 0.62 0.00 0.69 0.00 -2.21 0.00 0.00 174.62 173.72 1uaw n GLN 33 N -0.57 0.00 -0.31 7.08 6.02 -1.26 -1.03 117.38 127.31 1uaw n GLN 33 Ca 0.01 0.29 0.22 0.00 -0.01 0.00 0.00 57.00 57.51 1uaw n GLN 33 Cb 0.61 -1.23 0.51 0.00 1.02 0.00 0.00 30.24 31.15 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 0.39 0.00 -1.09 4.81 -1.99 2.49 114.58 119.20 1uaw h GLU 34 Ca 0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1uaw h GLU 34 Cb 0.00 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1uaw h GLU 34 CO 0.00 0.26 -0.05 0.78 -0.73 0.00 0.00 179.01 179.27 1uaw h GLY 35 N 0.40 0.00 1.05 1.92 0.00 -1.95 0.73 103.07 105.22 1uaw h GLY 35 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.60 1uaw h GLY 35 CO -0.27 0.00 -1.31 -2.00 0.00 0.00 0.00 176.54 172.96 1uaw h LEU 36 N 0.00 0.72 -2.04 3.11 5.85 0.58 -0.69 115.31 122.84 1uaw h LEU 36 Ca -0.00 -0.93 -0.01 0.00 0.84 0.00 0.00 57.88 57.78 1uaw h LEU 36 Cb 0.09 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1uaw h LEU 36 CO 0.01 1.63 -0.06 0.03 -0.34 0.00 0.00 178.44 179.70 1uaw h ARG 37 N -0.02 0.00 0.00 1.25 3.08 0.10 0.31 114.38 119.11 1uaw h ARG 37 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1uaw h ARG 37 Cb 2.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.06 1uaw h ARG 37 CO 0.23 0.06 -0.57 1.05 -1.07 0.00 0.00 179.97 179.67 1uaw h GLU 38 N 0.00 0.00 0.11 0.04 -0.00 0.45 0.10 114.58 115.28 1uaw h GLU 38 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 1uaw h GLU 38 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.88 1uaw h GLU 38 CO 0.01 0.00 -1.50 -0.92 -0.00 0.00 0.00 179.01 176.60 1uaw h TYR 39 N 0.00 0.44 0.00 2.06 5.03 0.11 -3.33 116.97 121.28 1uaw h TYR 39 Ca 0.00 -0.32 -0.35 0.00 2.58 0.00 0.00 58.73 60.64 1uaw h TYR 39 Cb 0.79 -0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.98 1uaw h TYR 39 CO 0.00 1.59 -2.33 1.19 -1.32 0.00 0.00 178.16 177.29 1uaw n PHE 40 N -3.88 0.00 0.24 -3.82 3.72 -0.17 -4.14 117.46 109.42 1uaw n PHE 40 Ca -0.26 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.30 1uaw n PHE 40 Cb 0.92 -0.93 0.87 0.00 -0.94 0.00 0.00 39.48 39.40 1uaw n PHE 40 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1uaw h GLY 41 N 3.05 0.00 0.96 1.37 0.00 -0.93 1.65 103.07 109.17 1uaw h GLY 41 Ca -0.52 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1uaw h GLY 41 CO -0.01 0.00 0.20 -1.61 0.00 0.00 0.00 176.54 175.11 1uaw h GLN 42 N 0.00 0.54 -0.00 4.80 4.15 -1.68 -3.30 115.11 119.62 1uaw h GLN 42 Ca 0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1uaw h GLN 42 Cb 0.02 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1uaw h GLN 42 CO 0.00 0.46 -0.01 1.97 -1.93 0.00 0.00 178.83 179.32 1uaw n PHE 43 N -4.73 0.00 -3.54 3.99 1.16 -0.64 -4.89 117.46 108.80 1uaw n PHE 43 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.29 1uaw n PHE 43 Cb 0.09 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.83 1uaw n PHE 43 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1uaw s GLY 44 N -0.34 0.90 -0.70 4.97 0.00 0.56 -4.72 107.32 107.99 1uaw s GLY 44 Ca 0.00 -1.76 -0.39 0.00 0.00 0.00 0.00 44.72 42.58 1uaw s GLY 44 CO 0.01 1.97 2.37 1.18 0.00 0.00 0.00 173.10 178.63 1uaw n GLU 45 N 4.33 0.00 -3.13 2.90 1.02 -1.26 -3.21 120.64 121.30 1uaw n GLU 45 Ca 0.06 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.80 1uaw n GLU 45 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 1uaw n GLU 45 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1uaw s VAL 46 N 7.23 5.05 -0.19 2.62 1.01 -1.26 -0.41 120.40 134.45 1uaw s VAL 46 Ca 1.27 1.22 0.15 0.00 0.00 0.00 0.00 61.98 64.62 1uaw s VAL 46 Cb -1.40 -3.95 -0.24 0.00 0.00 0.00 0.00 36.38 30.79 1uaw s VAL 46 CO 0.59 0.18 0.08 1.17 0.00 0.00 0.00 175.10 177.12 1uaw n LYS 47 N 4.53 0.68 -3.72 2.72 4.81 -1.24 -4.89 118.16 121.05 1uaw n LYS 47 Ca -0.02 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1uaw n LYS 47 Cb 0.50 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 33.90 1uaw n LYS 47 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1uaw s GLU 48 N -2.50 0.42 0.20 1.64 2.12 -1.26 -5.02 118.70 114.29 1uaw s GLU 48 Ca -0.13 0.63 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 1uaw s GLU 48 Cb 0.07 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.57 1uaw s GLU 48 CO 0.80 -0.10 0.39 0.00 -0.54 0.00 0.00 175.26 175.82 1uaw s LEU 50 N -2.97 -0.20 -0.02 0.00 0.05 0.47 -4.88 118.68 111.13 1uaw s LEU 50 Ca 0.17 0.83 0.04 0.00 0.05 0.00 0.00 54.13 55.23 1uaw s LEU 50 Cb 0.01 1.18 -0.03 0.00 -2.05 0.00 0.00 46.19 45.31 1uaw s LEU 50 CO 0.02 -0.21 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.80 1uaw s VAL 51 N 1.84 3.17 -0.04 1.48 1.01 -1.26 0.47 120.40 127.07 1uaw s VAL 51 Ca -0.06 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1uaw s VAL 51 Cb -0.10 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1uaw s VAL 51 CO -0.12 0.48 0.16 -0.32 0.00 0.00 0.00 175.10 175.31 1uaw s MET 52 N -1.08 0.30 -0.16 2.72 0.00 -0.97 -4.96 119.30 115.14 1uaw s MET 52 Ca 0.14 0.03 -0.13 0.00 0.00 0.00 0.00 55.69 55.73 1uaw s MET 52 Cb -0.11 0.13 0.05 0.00 0.00 0.00 0.00 34.83 34.90 1uaw s MET 52 CO 0.03 -0.06 0.41 -0.98 0.00 0.00 0.00 175.02 174.43 1uaw s ARG 53 N -0.40 0.45 0.00 4.11 1.04 -1.26 -2.08 118.95 120.81 1uaw s ARG 53 Ca -0.05 0.65 0.00 0.00 -1.04 0.00 0.00 55.73 55.29 1uaw s ARG 53 Cb -0.03 0.15 0.00 0.00 -2.04 0.00 0.00 34.95 33.03 1uaw s ARG 53 CO 0.01 -0.09 0.00 -3.47 -0.04 0.00 0.00 175.30 171.71 1uaw n ASP 54 N 3.32 0.00 -3.50 -2.89 -0.08 -0.97 -4.85 116.55 107.58 1uaw n ASP 54 Ca -0.16 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.68 1uaw n ASP 54 Cb 0.56 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.91 1uaw n ASP 54 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1uaw n PRO 55 N 0.00 0.15 0.06 -0.67 -0.02 -1.26 0.26 135.00 133.52 1uaw n PRO 55 Ca 0.00 -1.07 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 1uaw n PRO 55 Cb 0.00 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 30.95 1uaw n PRO 55 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1uaw n LEU 56 N 8.73 0.30 0.05 2.45 4.77 -1.26 -4.88 117.00 127.16 1uaw n LEU 56 Ca 0.46 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1uaw n LEU 56 Cb 0.41 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1uaw n LEU 56 CO 1.16 -0.68 0.00 1.07 -1.33 0.00 0.00 177.39 177.62 1uaw n THR 57 N -3.14 0.00 0.02 -5.08 5.66 -1.26 -4.83 114.28 105.66 1uaw n THR 57 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1uaw n THR 57 Cb 0.00 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 68.64 1uaw n THR 57 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1uaw h LYS 58 N 0.00 0.28 0.00 1.09 1.57 -1.99 -3.36 116.57 114.17 1uaw h LYS 58 Ca 0.00 -0.48 -0.23 0.00 -1.87 0.00 0.00 60.65 58.06 1uaw h LYS 58 Cb 0.00 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1uaw h LYS 58 CO 0.00 1.23 -1.22 0.00 -0.57 0.00 0.00 179.45 178.89 1uaw h ARG 59 N -0.18 0.00 -1.40 3.15 -0.00 -1.86 -3.31 114.38 110.78 1uaw h ARG 59 Ca -0.33 0.00 0.41 0.00 -0.50 0.00 0.00 59.98 59.56 1uaw h ARG 59 Cb 1.87 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.78 1uaw h ARG 59 CO 0.09 0.82 1.30 0.45 0.00 0.00 0.00 179.97 182.63 1uaw n SER 60 N -3.24 0.00 0.04 7.04 2.88 0.73 0.29 113.62 121.36 1uaw n SER 60 Ca -0.05 0.85 0.11 0.00 -1.33 0.00 0.00 58.87 58.44 1uaw n SER 60 Cb 0.97 -0.35 -0.01 0.00 -0.75 0.00 0.00 64.21 64.07 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 -3.49 0.43 -2.39 -1.46 1.74 -1.25 -4.72 116.66 105.52 1uaw n ARG 61 Ca 0.31 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1uaw n ARG 61 Cb 1.72 -1.65 -0.00 0.00 -1.02 0.00 0.00 32.46 31.51 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 1.30 -4.05 0.00 -0.13 0.00 0.84 -4.22 105.19 98.93 1uaw n GLY 62 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.62 0.00 -3.82 1.61 1.16 -0.89 -0.01 117.46 116.14 1uaw n PHE 63 Ca -0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.50 1uaw n PHE 63 Cb 0.07 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.94 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 -0.23 -0.01 0.02 4.97 0.00 -0.07 -2.30 107.32 109.69 1uaw s GLY 64 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 44.72 44.56 1uaw s GLY 64 CO 0.00 1.02 -0.06 -1.36 0.00 0.00 0.00 173.10 172.70 1uaw s PHE 65 N -2.70 0.54 -0.09 1.90 0.08 0.18 -0.49 117.98 117.40 1uaw s PHE 65 Ca 0.17 -0.30 -0.13 0.00 0.12 0.00 0.00 56.93 56.79 1uaw s PHE 65 Cb -0.02 -0.34 0.03 0.00 -0.57 0.00 0.00 43.02 42.12 1uaw s PHE 65 CO 0.05 -0.05 0.35 0.08 -0.10 0.00 0.00 175.22 175.54 1uaw s VAL 66 N -0.76 0.02 -0.39 -0.44 1.01 -0.66 -0.40 120.40 118.78 1uaw s VAL 66 Ca -0.04 -0.15 0.12 0.00 0.00 0.00 0.00 61.98 61.90 1uaw s VAL 66 Cb -0.06 -0.55 0.36 0.00 0.00 0.00 0.00 36.38 36.14 1uaw s VAL 66 CO 0.00 -0.09 0.79 0.41 0.00 0.00 0.00 175.10 176.21 1uaw n THR 67 N 2.33 0.39 -0.46 3.92 -1.04 -0.11 -0.21 114.28 119.10 1uaw n THR 67 Ca -0.16 -4.55 -0.23 0.00 -2.04 0.00 0.00 64.05 57.08 1uaw n THR 67 Cb 0.57 -0.31 0.21 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.17 -3.48 -2.89 -1.42 1.16 -1.25 -3.72 117.46 106.02 1uaw n PHE 68 Ca 0.24 -0.66 -0.16 0.00 -1.87 0.00 0.00 57.45 55.00 1uaw n PHE 68 Cb 0.65 -0.90 -0.00 0.00 -1.61 0.00 0.00 39.48 37.61 1uaw n PHE 68 CO 0.00 0.00 0.00 -0.12 -1.87 0.00 0.00 176.76 174.77 1uaw n MET 69 N -4.52 1.49 -4.46 3.97 1.56 0.45 -4.81 117.12 110.81 1uaw n MET 69 Ca 0.11 -3.58 -0.33 0.00 -0.27 0.00 0.00 57.70 53.63 1uaw n MET 69 Cb 0.45 -1.63 -0.10 0.00 2.15 0.00 0.00 33.22 34.08 1uaw n MET 69 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 1uaw s ASP 70 N -2.91 4.72 0.10 6.12 2.15 -1.26 -4.82 116.67 120.77 1uaw s ASP 70 Ca 0.37 -0.10 -0.20 0.00 0.43 0.00 0.00 52.55 53.05 1uaw s ASP 70 Cb 0.39 -1.14 -0.09 0.00 -0.30 0.00 0.00 42.92 41.78 1uaw s ASP 70 CO -0.05 0.30 1.68 -0.61 -0.17 0.00 0.00 175.17 176.32 1uaw h GLN 71 N 4.64 0.24 -0.84 4.34 -0.00 -1.98 -2.24 115.11 119.27 1uaw h GLN 71 Ca -0.49 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.07 1uaw h GLN 71 Cb 1.17 -0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.57 1uaw h GLN 71 CO 0.54 0.26 0.08 0.00 0.00 0.00 0.00 178.83 179.70 1uaw n ALA 72 N -2.19 3.40 -0.45 3.38 0.00 -1.26 -4.58 120.51 118.80 1uaw n ALA 72 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1uaw n ALA 72 Cb 0.08 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1uaw n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uaw n GLY 73 N 0.17 -2.97 0.52 0.00 0.00 -0.84 -1.13 105.19 100.94 1uaw n GLY 73 Ca 0.18 0.28 0.36 0.00 0.00 0.00 0.00 46.02 46.84 1uaw n GLY 73 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uaw h VAL 74 N 0.00 0.31 0.00 1.61 2.07 -1.82 0.43 116.25 118.84 1uaw h VAL 74 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1uaw h VAL 74 Cb 0.00 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1uaw h VAL 74 CO 0.00 0.02 0.00 0.47 0.02 0.00 0.00 177.57 178.08 1uaw n ASP 75 N -4.33 0.00 -0.30 0.57 9.92 -0.48 -0.40 116.55 121.53 1uaw n ASP 75 Ca 0.31 0.60 0.11 0.00 -0.53 0.00 0.00 54.79 55.28 1uaw n ASP 75 Cb 1.34 -0.16 0.28 0.00 -0.64 0.00 0.00 41.12 41.94 1uaw n ASP 75 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1uaw h LYS 76 N 0.00 0.44 -0.00 -1.24 6.56 -0.76 0.34 116.57 121.92 1uaw h LYS 76 Ca 0.00 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.59 1uaw h LYS 76 Cb 0.00 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 31.52 1uaw h LYS 76 CO 0.00 0.29 -0.24 0.28 -2.06 0.00 0.00 179.45 177.72 1uaw h VAL 77 N 0.46 0.45 -0.83 0.50 2.07 -0.93 -1.75 116.25 116.21 1uaw h VAL 77 Ca 0.53 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.19 1uaw h VAL 77 Cb 0.94 0.45 -0.15 0.00 -1.52 0.00 0.00 31.29 31.01 1uaw h VAL 77 CO -0.48 0.00 -0.31 0.25 0.02 0.00 0.00 177.57 177.05 1uaw h LEU 78 N -0.38 -1.12 -1.84 2.57 7.12 0.15 1.82 115.31 123.62 1uaw h LEU 78 Ca 0.06 0.27 0.38 0.00 0.13 0.00 0.00 57.88 58.72 1uaw h LEU 78 Cb 0.46 0.62 -0.05 0.00 -0.53 0.00 0.00 40.66 41.16 1uaw h LEU 78 CO -0.22 -0.29 1.05 0.00 -0.13 0.00 0.00 178.44 178.85 1uaw h ALA 79 N 1.44 3.23 -0.56 1.25 0.00 -1.01 2.56 119.26 126.16 1uaw h ALA 79 Ca 0.34 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1uaw h ALA 79 Cb 0.60 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1uaw h ALA 79 CO -0.86 -1.73 0.08 1.04 0.00 0.00 0.00 179.25 177.79 1uaw n GLN 80 N -3.90 4.10 0.10 0.00 1.13 0.62 -4.38 117.38 115.05 1uaw n GLN 80 Ca 0.29 -2.75 0.06 0.00 -1.94 0.00 0.00 57.00 52.66 1uaw n GLN 80 Cb 1.47 -2.16 0.32 0.00 0.11 0.00 0.00 30.24 29.98 1uaw n GLN 80 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1uaw n SER 81 N 0.33 0.30 -0.00 1.08 2.88 0.86 0.72 113.62 119.80 1uaw n SER 81 Ca 0.28 0.59 0.09 0.00 -1.33 0.00 0.00 58.87 58.50 1uaw n SER 81 Cb 1.15 -0.60 -0.11 0.00 -0.75 0.00 0.00 64.21 63.90 1uaw n SER 81 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1uaw n ARG 82 N -1.91 1.00 -3.46 -1.46 1.85 -1.26 -4.31 116.66 107.11 1uaw n ARG 82 Ca -0.01 -0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.66 1uaw n ARG 82 Cb 0.12 -1.36 -0.04 0.00 -1.05 0.00 0.00 32.46 30.13 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 -1.52 -0.61 -3.21 2.89 -0.00 0.22 -2.81 115.22 110.17 1uaw n HIS 83 Ca 0.02 0.25 -0.39 0.00 0.46 0.00 0.00 57.72 58.06 1uaw n HIS 83 Cb 0.31 -1.34 -0.06 0.00 -0.12 0.00 0.00 29.99 28.77 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 -5.30 4.26 0.00 1.57 2.12 -1.22 -1.21 118.70 118.92 1uaw s GLU 84 Ca 0.04 0.52 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1uaw s GLU 84 Cb -0.02 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.85 1uaw s GLU 84 CO 0.48 -0.07 0.00 1.47 -0.54 0.00 0.00 175.26 176.60 1uaw n LEU 85 N 4.45 0.00 -2.24 2.70 -0.00 -1.02 -4.90 117.00 115.99 1uaw n LEU 85 Ca -0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.78 1uaw n LEU 85 Cb 0.51 0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 43.82 1uaw n LEU 85 CO 0.43 -0.01 1.60 0.47 -0.00 0.00 0.00 177.39 179.87 1uaw n ASP 86 N -1.04 5.85 0.00 1.45 9.92 -1.26 -4.55 116.55 126.92 1uaw n ASP 86 Ca 0.00 -2.84 0.00 0.00 -0.53 0.00 0.00 54.79 51.42 1uaw n ASP 86 Cb 0.00 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.16 1uaw n ASP 86 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1uaw n SER 87 N 1.68 -3.12 -4.42 -2.24 2.88 -1.26 -4.84 113.62 102.31 1uaw n SER 87 Ca 0.46 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.65 1uaw n SER 87 Cb 0.73 -1.74 -0.13 0.00 -0.75 0.00 0.00 64.21 62.32 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 -0.83 3.54 -1.10 -1.46 -0.14 -1.26 -5.04 119.74 113.45 1uaw s LYS 88 Ca 0.00 -0.57 -0.07 0.00 -1.36 0.00 0.00 55.97 53.97 1uaw s LYS 88 Cb 0.00 -2.95 0.29 0.00 -1.68 0.00 0.00 37.83 33.49 1uaw s LYS 88 CO 0.00 0.06 1.30 -2.37 -0.76 0.00 0.00 175.35 173.58 1uaw n THR 89 N 4.06 4.92 -0.17 2.17 5.66 -1.24 -2.43 114.28 127.25 1uaw n THR 89 Ca -0.18 -5.62 -0.08 0.00 -3.05 0.00 0.00 64.05 55.12 1uaw n THR 89 Cb 0.52 -2.35 0.08 0.00 -1.55 0.00 0.00 70.33 67.02 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 2.09 0.00 -3.38 1.09 5.41 -0.35 -4.66 119.36 119.56 1uaw n ILE 90 Ca 0.25 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.75 1uaw n ILE 90 Cb 0.36 -0.26 -0.10 0.00 -0.71 0.00 0.00 39.64 38.93 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 -1.92 1.80 -0.13 4.38 -1.08 0.77 -3.70 116.67 116.79 1uaw s ASP 91 Ca 0.18 -2.44 -0.29 0.00 -0.52 0.00 0.00 52.55 49.48 1uaw s ASP 91 Cb -0.03 -0.14 -0.06 0.00 -1.46 0.00 0.00 42.92 41.22 1uaw s ASP 91 CO 0.15 -0.23 2.14 -0.81 0.52 0.00 0.00 175.17 176.94 1uaw n PRO 92 N 3.51 2.28 -3.98 4.34 -0.04 -1.26 -2.07 135.00 137.78 1uaw n PRO 92 Ca 0.20 0.71 -0.31 0.00 -0.04 0.00 0.00 63.50 64.06 1uaw n PRO 92 Cb 0.44 -3.17 -0.15 0.00 -0.04 0.00 0.00 33.50 30.58 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 5.73 1.77 0.50 0.54 0.00 0.28 -4.80 119.74 123.76 1uaw s LYS 93 Ca 0.97 -1.18 0.04 0.00 0.00 0.00 0.00 55.97 55.80 1uaw s LYS 93 Cb -0.37 -2.71 0.02 0.00 0.00 0.00 0.00 37.83 34.78 1uaw s LYS 93 CO 0.37 -0.63 0.69 0.08 0.00 0.00 0.00 175.35 175.86 1uaw s VAL 94 N 1.27 2.80 0.00 1.79 1.01 -1.26 -1.38 120.40 124.63 1uaw s VAL 94 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1uaw s VAL 94 Cb -0.19 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1uaw s VAL 94 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.03 1uaw n ALA 95 N -2.13 0.00 -0.46 5.51 0.00 -1.26 -4.92 120.51 117.24 1uaw n ALA 95 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1uaw n ALA 95 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1uaw n ALA 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69