#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uu9 n LYS 3 N 0.00 1.55 -1.78 0.54 5.02 -1.26 -4.85 118.16 117.38 2uu9 n LYS 3 Ca 0.00 0.56 -0.41 0.00 -2.02 0.00 0.00 58.31 56.44 2uu9 n LYS 3 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.76 2uu9 n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2uu9 n LYS 4 N 3.11 2.62 -3.87 1.97 3.00 -1.26 -4.53 118.16 119.20 2uu9 n LYS 4 Ca 0.18 0.92 -0.30 0.00 -0.00 0.00 0.00 58.31 59.11 2uu9 n LYS 4 Cb 0.23 -2.68 -0.15 0.00 0.00 0.00 0.00 35.03 32.42 2uu9 n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2uu9 s VAL 5 N -1.13 1.43 0.06 3.15 1.01 -1.25 0.25 120.40 123.92 2uu9 s VAL 5 Ca 0.55 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2uu9 s VAL 5 Cb -0.47 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2uu9 s VAL 5 CO 0.63 -0.47 0.17 -0.76 0.00 0.00 0.00 175.10 174.67 2uu9 s LEU 6 N 1.37 4.22 -0.15 3.92 1.43 0.04 -4.83 118.68 124.67 2uu9 s LEU 6 Ca 0.05 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2uu9 s LEU 6 Cb -0.18 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 2uu9 s LEU 6 CO -0.14 0.18 -0.10 -0.89 0.23 0.00 0.00 176.35 175.63 2uu9 s THR 7 N -1.47 3.26 0.23 5.49 2.01 -1.26 0.18 115.64 124.08 2uu9 s THR 7 Ca 0.33 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 2uu9 s THR 7 Cb -0.13 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.00 2uu9 s THR 7 CO 0.26 0.50 0.39 0.61 -0.69 0.00 0.00 174.62 175.69 2uu9 n GLY 8 N 3.79 1.96 3.70 4.40 0.00 -0.46 -4.50 105.19 114.08 2uu9 n GLY 8 Ca -0.18 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 2uu9 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uu9 s VAL 9 N -2.57 4.08 -0.17 1.61 0.11 0.12 -1.35 120.40 122.23 2uu9 s VAL 9 Ca 0.14 -0.96 -0.27 0.00 -2.93 0.00 0.00 61.98 57.96 2uu9 s VAL 9 Cb -0.02 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.88 2uu9 s VAL 9 CO 0.10 0.13 0.94 -0.69 -3.33 0.00 0.00 175.10 172.25 2uu9 s VAL 10 N -1.31 4.79 -0.87 2.04 1.01 -0.62 0.83 120.40 126.26 2uu9 s VAL 10 Ca 0.26 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.19 2uu9 s VAL 10 Cb -0.12 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.03 2uu9 s VAL 10 CO 0.19 -0.04 0.62 1.33 0.00 0.00 0.00 175.10 177.19 2uu9 n VAL 11 N 4.88 0.00 -3.64 2.92 0.24 -0.05 -2.91 118.33 119.76 2uu9 n VAL 11 Ca 0.08 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 2uu9 n VAL 11 Cb 0.48 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 2uu9 n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2uu9 s SER 12 N -1.29 -0.70 -0.13 -1.34 0.15 -1.24 -4.95 113.70 104.20 2uu9 s SER 12 Ca 0.08 1.25 0.19 0.00 0.70 0.00 0.00 55.95 58.17 2uu9 s SER 12 Cb 0.08 1.28 0.44 0.00 -1.71 0.00 0.00 66.02 66.10 2uu9 s SER 12 CO 0.23 -0.21 1.18 -0.90 1.20 0.00 0.00 173.24 174.74 2uu9 n ASP 13 N 3.13 1.71 -0.41 5.45 5.68 -1.26 -2.12 116.55 128.73 2uu9 n ASP 13 Ca -0.16 -2.77 0.06 0.00 -0.50 0.00 0.00 54.79 51.43 2uu9 n ASP 13 Cb 0.57 -0.40 0.24 0.00 -1.14 0.00 0.00 41.12 40.38 2uu9 n ASP 13 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2uu9 n LYS 14 N -0.29 1.52 -5.10 0.11 4.76 -1.26 -4.80 118.16 113.11 2uu9 n LYS 14 Ca 0.14 -0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 54.46 2uu9 n LYS 14 Cb 0.94 -1.25 -0.15 0.00 -1.84 0.00 0.00 35.03 32.72 2uu9 n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2uu9 s MET 15 N -1.75 2.65 -0.10 1.97 -1.94 -1.26 -5.08 119.30 113.79 2uu9 s MET 15 Ca 0.22 -0.82 -0.29 0.00 -1.71 0.00 0.00 55.69 53.08 2uu9 s MET 15 Cb 0.11 -2.29 -0.05 0.00 2.01 0.00 0.00 34.83 34.61 2uu9 s MET 15 CO 0.16 0.42 1.77 -0.65 -0.01 0.00 0.00 175.02 176.72 2uu9 s GLN 16 N -0.24 3.94 -1.67 2.03 -0.21 -1.26 -2.39 119.66 119.84 2uu9 s GLN 16 Ca -0.00 2.10 0.00 0.00 0.02 0.00 0.00 55.36 57.47 2uu9 s GLN 16 Cb -0.13 -4.08 0.00 0.00 1.00 0.00 0.00 33.01 29.80 2uu9 s GLN 16 CO 0.03 -1.15 0.00 1.63 -2.12 0.00 0.00 175.29 173.68 2uu9 n LYS 17 N 7.56 -1.19 -3.83 2.91 5.02 -1.26 -4.98 118.16 122.40 2uu9 n LYS 17 Ca 0.20 1.01 -0.13 0.00 -2.02 0.00 0.00 58.31 57.37 2uu9 n LYS 17 Cb 0.43 -5.27 -0.14 0.00 -0.02 0.00 0.00 35.03 30.04 2uu9 n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2uu9 s THR 18 N -2.66 -0.01 -0.06 -0.18 2.01 -1.01 0.10 115.64 113.83 2uu9 s THR 18 Ca 0.00 0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.06 2uu9 s THR 18 Cb 0.00 -0.10 0.02 0.00 0.01 0.00 0.00 72.50 72.43 2uu9 s THR 18 CO 0.00 0.02 -0.07 0.68 -0.69 0.00 0.00 174.62 174.56 2uu9 s VAL 19 N 0.28 0.74 0.01 3.82 -7.23 -0.90 -3.99 120.40 113.14 2uu9 s VAL 19 Ca -0.02 -0.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.62 2uu9 s VAL 19 Cb -0.03 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 2uu9 s VAL 19 CO -0.01 0.28 1.14 -0.89 -0.31 0.00 0.00 175.10 175.31 2uu9 s THR 20 N 1.00 4.31 -0.22 5.32 2.01 -0.90 -1.81 115.64 125.34 2uu9 s THR 20 Ca -0.09 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.56 2uu9 s THR 20 Cb -0.14 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.34 2uu9 s THR 20 CO -0.00 0.10 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.21 2uu9 s VAL 21 N 1.34 2.45 -0.00 3.82 1.01 0.57 -0.88 120.40 128.70 2uu9 s VAL 21 Ca 0.56 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 2uu9 s VAL 21 Cb -0.26 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2uu9 s VAL 21 CO 0.27 0.29 0.86 -0.22 0.00 0.00 0.00 175.10 176.30 2uu9 s LEU 22 N 1.27 4.38 -0.08 3.92 2.96 0.24 -0.42 118.68 130.96 2uu9 s LEU 22 Ca 0.00 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.43 2uu9 s LEU 22 Cb -0.16 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.17 2uu9 s LEU 22 CO -0.08 -0.16 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.01 2uu9 s VAL 23 N 0.69 0.99 0.38 1.68 1.01 0.43 0.16 120.40 125.74 2uu9 s VAL 23 Ca 0.45 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.16 2uu9 s VAL 23 Cb -0.20 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2uu9 s VAL 23 CO 0.25 0.34 0.39 -1.61 0.00 0.00 0.00 175.10 174.46 2uu9 s GLU 24 N 1.07 2.71 -0.29 2.72 2.02 -1.26 -0.85 118.70 124.83 2uu9 s GLU 24 Ca -0.07 -1.34 -0.15 0.00 0.02 0.00 0.00 54.97 53.42 2uu9 s GLU 24 Cb -0.14 -2.52 0.11 0.00 0.10 0.00 0.00 34.13 31.67 2uu9 s GLU 24 CO -0.01 -0.08 0.77 -0.98 0.02 0.00 0.00 175.26 174.99 2uu9 s ARG 25 N -4.12 0.59 0.15 1.61 1.70 -0.43 -4.97 118.95 113.47 2uu9 s ARG 25 Ca 0.46 1.09 0.05 0.00 -0.47 0.00 0.00 55.73 56.86 2uu9 s ARG 25 Cb -0.06 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.52 2uu9 s ARG 25 CO 0.29 -0.14 0.12 1.14 -1.08 0.00 0.00 175.30 175.62 2uu9 s GLN 26 N 1.77 2.85 -0.29 3.89 -2.07 -1.26 -2.26 119.66 122.28 2uu9 s GLN 26 Ca -0.09 -0.87 -0.29 0.00 -1.82 0.00 0.00 55.36 52.29 2uu9 s GLN 26 Cb -0.06 -2.63 0.19 0.00 -1.09 0.00 0.00 33.01 29.43 2uu9 s GLN 26 CO -0.18 0.49 1.36 -0.59 -1.32 0.00 0.00 175.29 175.05 2uu9 s PHE 27 N -1.70 -0.04 0.29 9.60 -0.12 -0.68 -5.01 117.98 120.33 2uu9 s PHE 27 Ca 0.30 0.07 -0.29 0.00 -0.05 0.00 0.00 56.93 56.96 2uu9 s PHE 27 Cb -0.10 0.49 -0.13 0.00 -0.63 0.00 0.00 43.02 42.65 2uu9 s PHE 27 CO 0.23 -0.03 1.24 -2.30 -0.05 0.00 0.00 175.22 174.30 2uu9 n PRO 28 N 0.56 1.84 -2.38 1.99 -0.02 -1.26 -1.98 135.00 133.74 2uu9 n PRO 28 Ca -0.00 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2uu9 n PRO 28 Cb 0.59 -2.19 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 2uu9 n PRO 28 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2uu9 s HIS 29 N -0.76 3.42 0.58 6.00 2.46 -0.67 -4.83 115.29 121.49 2uu9 s HIS 29 Ca 0.61 1.32 0.30 0.00 0.47 0.00 0.00 55.06 57.76 2uu9 s HIS 29 Cb -0.64 -3.45 1.38 0.00 -0.13 0.00 0.00 32.58 29.75 2uu9 s HIS 29 CO 0.58 -1.34 1.75 -1.00 -2.47 0.00 0.00 174.74 172.26 2uu9 h PRO 30 N 6.13 0.00 0.00 2.88 0.13 -1.91 -2.85 132.00 136.38 2uu9 h PRO 30 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2uu9 h PRO 30 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2uu9 h PRO 30 CO 0.79 0.00 -0.58 -0.11 -0.23 0.00 0.00 178.00 177.87 2uu9 n LEU 31 N -3.71 0.64 -0.97 1.56 7.94 -1.26 -4.83 117.00 116.37 2uu9 n LEU 31 Ca 0.15 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.16 2uu9 n LEU 31 Cb 0.98 0.00 0.27 0.00 0.53 0.00 0.00 43.42 45.20 2uu9 n LEU 31 CO 0.30 0.11 0.72 -1.22 -1.11 0.00 0.00 177.39 176.19 2uu9 n TYR 32 N -1.63 0.52 0.00 1.96 0.53 -1.23 -4.97 117.16 112.34 2uu9 n TYR 32 Ca 0.00 -0.26 0.00 0.00 -1.02 0.00 0.00 57.90 56.62 2uu9 n TYR 32 Cb 0.29 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.60 2uu9 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2uu9 n GLY 33 N 1.38 1.31 0.88 2.72 0.00 -1.08 -4.91 105.19 105.50 2uu9 n GLY 33 Ca 0.18 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 2uu9 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uu9 n LYS 34 N 0.00 0.00 -2.36 1.61 4.81 -1.26 -2.58 118.16 118.37 2uu9 n LYS 34 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.06 2uu9 n LYS 34 Cb 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.64 2uu9 n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2uu9 s VAL 35 N 0.12 3.64 0.96 3.15 1.01 -1.26 -1.66 120.40 126.35 2uu9 s VAL 35 Ca 0.23 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2uu9 s VAL 35 Cb -0.33 -4.60 0.18 0.00 0.00 0.00 0.00 36.38 31.64 2uu9 s VAL 35 CO 0.15 -1.53 1.25 0.27 0.00 0.00 0.00 175.10 175.24 2uu9 s ILE 36 N 6.94 1.95 -0.31 2.22 -4.36 -0.84 -4.75 121.20 122.05 2uu9 s ILE 36 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.89 2uu9 s ILE 36 Cb -0.07 -2.92 0.14 0.00 1.25 0.00 0.00 42.46 40.86 2uu9 s ILE 36 CO 0.09 0.00 0.32 -0.75 0.24 0.00 0.00 174.94 174.83 2uu9 s LYS 37 N -5.72 0.39 0.38 0.37 2.20 -1.26 -1.68 119.74 114.41 2uu9 s LYS 37 Ca 0.70 -0.28 0.07 0.00 -0.36 0.00 0.00 55.97 56.11 2uu9 s LYS 37 Cb -0.07 -0.65 -0.00 0.00 -1.51 0.00 0.00 37.83 35.59 2uu9 s LYS 37 CO 0.53 -1.06 0.49 1.03 -0.36 0.00 0.00 175.35 175.97 2uu9 s ARG 38 N 2.18 2.91 0.28 4.03 3.00 -0.96 -4.92 118.95 125.47 2uu9 s ARG 38 Ca 0.11 -1.18 -0.13 0.00 0.00 0.00 0.00 55.73 54.53 2uu9 s ARG 38 Cb -0.14 -2.73 0.01 0.00 0.00 0.00 0.00 34.95 32.09 2uu9 s ARG 38 CO -0.27 -0.10 0.55 -1.54 0.00 0.00 0.00 175.30 173.94 2uu9 s SER 39 N -4.23 0.04 -0.10 0.23 1.04 -1.26 -1.32 113.70 108.09 2uu9 s SER 39 Ca 0.49 -0.99 -0.22 0.00 0.48 0.00 0.00 55.95 55.71 2uu9 s SER 39 Cb -0.09 0.65 0.05 0.00 0.10 0.00 0.00 66.02 66.73 2uu9 s SER 39 CO 0.31 -1.26 0.54 -0.75 0.98 0.00 0.00 173.24 173.06 2uu9 s LYS 40 N -3.67 0.80 -0.18 4.02 2.20 -0.03 -4.99 119.74 117.90 2uu9 s LYS 40 Ca 0.21 0.35 -0.12 0.00 -0.36 0.00 0.00 55.97 56.05 2uu9 s LYS 40 Cb -0.02 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.63 2uu9 s LYS 40 CO 0.11 -0.19 0.23 0.15 -0.36 0.00 0.00 175.35 175.29 2uu9 s LYS 41 N -0.64 4.22 -0.09 4.03 1.02 -1.26 -0.42 119.74 126.60 2uu9 s LYS 41 Ca -0.07 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 55.91 2uu9 s LYS 41 Cb -0.03 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 2uu9 s LYS 41 CO 0.05 0.23 -0.17 0.71 -0.92 0.00 0.00 175.35 175.25 2uu9 s TYR 42 N 0.52 2.68 -0.47 3.18 1.51 0.44 -4.89 117.35 120.31 2uu9 s TYR 42 Ca 0.13 -0.55 -0.24 0.00 -1.01 0.00 0.00 57.07 55.40 2uu9 s TYR 42 Cb -0.12 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.03 2uu9 s TYR 42 CO 0.02 -0.12 0.84 -0.51 -1.11 0.00 0.00 175.55 174.67 2uu9 s LEU 43 N -0.06 4.20 0.28 -1.29 1.43 -1.26 -0.32 118.68 121.65 2uu9 s LEU 43 Ca -0.04 -0.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2uu9 s LEU 43 Cb -0.14 -2.97 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2uu9 s LEU 43 CO 0.04 -1.00 0.44 0.00 0.23 0.00 0.00 176.35 176.06 2uu9 s ALA 44 N 3.49 3.82 -0.09 4.21 0.00 -0.75 -3.97 121.76 128.47 2uu9 s ALA 44 Ca 0.31 -1.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 2uu9 s ALA 44 Cb -0.12 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 2uu9 s ALA 44 CO 0.22 0.17 0.38 -1.58 0.00 0.00 0.00 175.76 174.96 2uu9 s HIS 45 N -2.09 3.58 -0.45 0.00 2.46 0.11 -2.12 115.29 116.77 2uu9 s HIS 45 Ca 0.37 0.82 0.03 0.00 0.47 0.00 0.00 55.06 56.75 2uu9 s HIS 45 Cb -0.10 -2.37 0.16 0.00 -0.13 0.00 0.00 32.58 30.15 2uu9 s HIS 45 CO 0.32 0.38 0.33 0.34 -2.47 0.00 0.00 174.74 173.64 2uu9 s ASP 46 N -0.09 2.63 0.64 9.88 3.68 0.12 -2.80 116.67 130.72 2uu9 s ASP 46 Ca 0.22 -2.97 0.39 0.00 2.13 0.00 0.00 52.55 52.32 2uu9 s ASP 46 Cb -0.15 -0.73 2.20 0.00 -1.45 0.00 0.00 42.92 42.79 2uu9 s ASP 46 CO 0.09 -0.20 2.32 1.55 0.13 0.00 0.00 175.17 179.06 2uu9 h PRO 47 N 6.02 0.00 -0.44 4.34 0.13 -1.96 -2.63 132.00 137.46 2uu9 h PRO 47 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2uu9 h PRO 47 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2uu9 h PRO 47 CO 0.43 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.59 2uu9 n GLU 48 N -3.35 3.06 -0.21 0.86 1.02 -1.26 -4.92 120.64 115.83 2uu9 n GLU 48 Ca -0.03 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.65 2uu9 n GLU 48 Cb 0.09 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 2uu9 n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2uu9 n GLU 49 N 0.58 0.00 -0.26 3.49 -0.58 -0.99 -4.78 120.64 118.10 2uu9 n GLU 49 Ca 0.18 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 2uu9 n GLU 49 Cb 0.64 -3.60 0.15 0.00 -0.57 0.00 0.00 31.44 28.06 2uu9 n GLU 49 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2uu9 n LYS 50 N -1.55 -0.06 -3.08 3.49 4.81 -1.26 -4.59 118.16 115.91 2uu9 n LYS 50 Ca 0.00 1.13 -0.37 0.00 -0.87 0.00 0.00 58.31 58.20 2uu9 n LYS 50 Cb 0.00 -1.72 -0.06 0.00 0.02 0.00 0.00 35.03 33.27 2uu9 n LYS 50 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2uu9 s TYR 51 N -5.81 3.73 0.42 5.64 1.51 -1.26 -5.07 117.35 116.50 2uu9 s TYR 51 Ca -0.10 1.44 0.07 0.00 -1.01 0.00 0.00 57.07 57.47 2uu9 s TYR 51 Cb 0.21 -2.65 -0.05 0.00 -0.11 0.00 0.00 41.96 39.36 2uu9 s TYR 51 CO 0.57 0.40 0.15 0.15 -1.11 0.00 0.00 175.55 175.72 2uu9 s LYS 52 N -1.69 2.18 -0.20 -0.62 3.01 -1.26 -5.00 119.74 116.16 2uu9 s LYS 52 Ca 0.40 -1.93 -0.29 0.00 -1.01 0.00 0.00 55.97 53.14 2uu9 s LYS 52 Cb -0.18 -1.90 -0.04 0.00 -1.01 0.00 0.00 37.83 34.69 2uu9 s LYS 52 CO 0.22 -0.14 1.81 -1.17 0.51 0.00 0.00 175.35 176.59 2uu9 s LEU 53 N -3.88 3.83 0.00 3.17 2.96 -1.26 -2.14 118.68 121.36 2uu9 s LEU 53 Ca 0.38 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2uu9 s LEU 53 Cb 0.05 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2uu9 s LEU 53 CO 0.21 -1.43 0.00 0.61 -1.32 0.00 0.00 176.35 174.42 2uu9 n GLY 54 N 4.97 0.96 3.76 7.98 0.00 -1.15 -4.79 105.19 116.92 2uu9 n GLY 54 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 2uu9 n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uu9 s ASP 55 N -1.38 7.44 -0.24 1.61 1.01 -0.91 -1.38 116.67 122.83 2uu9 s ASP 55 Ca 0.00 1.71 -0.10 0.00 0.71 0.00 0.00 52.55 54.86 2uu9 s ASP 55 Cb 0.00 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 2uu9 s ASP 55 CO 0.00 0.13 0.15 -0.69 0.21 0.00 0.00 175.17 174.97 2uu9 s VAL 56 N -0.83 5.25 0.20 -1.27 1.01 0.51 -1.59 120.40 123.67 2uu9 s VAL 56 Ca 0.39 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2uu9 s VAL 56 Cb -0.23 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2uu9 s VAL 56 CO 0.28 0.35 -0.01 0.68 0.00 0.00 0.00 175.10 176.39 2uu9 s VAL 57 N 1.06 0.92 -0.17 2.92 -7.23 -0.46 0.06 120.40 117.50 2uu9 s VAL 57 Ca 0.07 -2.02 -0.10 0.00 -1.81 0.00 0.00 61.98 58.12 2uu9 s VAL 57 Cb -0.14 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2uu9 s VAL 57 CO 0.04 -0.42 0.16 -1.61 -0.31 0.00 0.00 175.10 172.97 2uu9 s GLU 58 N -3.87 4.02 0.06 4.82 2.02 -1.07 -1.35 118.70 123.33 2uu9 s GLU 58 Ca 0.26 -0.14 0.05 0.00 0.02 0.00 0.00 54.97 55.16 2uu9 s GLU 58 Cb 0.05 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 2uu9 s GLU 58 CO 0.06 0.41 -0.04 0.42 0.02 0.00 0.00 175.26 176.14 2uu9 s ILE 59 N 0.01 3.79 0.02 -1.63 -1.09 0.49 0.35 121.20 123.14 2uu9 s ILE 59 Ca 0.11 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.59 2uu9 s ILE 59 Cb -0.12 -2.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.00 2uu9 s ILE 59 CO 0.01 0.21 -0.10 -0.51 -1.23 0.00 0.00 174.94 173.32 2uu9 s ILE 60 N -1.19 0.75 0.11 2.92 2.07 -0.52 -0.78 121.20 124.56 2uu9 s ILE 60 Ca 0.22 -0.73 -0.36 0.00 -1.41 0.00 0.00 60.65 58.37 2uu9 s ILE 60 Cb -0.11 -0.69 -0.16 0.00 0.13 0.00 0.00 42.46 41.63 2uu9 s ILE 60 CO 0.14 -0.02 1.42 -0.62 -1.91 0.00 0.00 174.94 173.95 2uu9 n GLU 61 N 2.22 1.49 -4.21 3.50 1.02 0.14 -2.34 120.64 122.45 2uu9 n GLU 61 Ca -0.17 0.54 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2uu9 n GLU 61 Cb 0.56 -2.22 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 2uu9 n GLU 61 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2uu9 s SER 62 N 0.63 1.41 0.10 1.62 0.01 -0.35 -4.82 113.70 112.30 2uu9 s SER 62 Ca 0.83 -1.01 -0.31 0.00 1.31 0.00 0.00 55.95 56.76 2uu9 s SER 62 Cb -0.86 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 65.34 2uu9 s SER 62 CO 0.44 -0.41 1.48 -0.60 0.41 0.00 0.00 173.24 174.56 2uu9 s ARG 63 N -3.80 4.27 -0.35 12.44 3.00 -1.26 -4.60 118.95 128.64 2uu9 s ARG 63 Ca 0.14 2.17 -0.32 0.00 -1.00 0.00 0.00 55.73 56.72 2uu9 s ARG 63 Cb 0.04 -3.35 -0.14 0.00 0.00 0.00 0.00 34.95 31.51 2uu9 s ARG 63 CO -0.02 -0.56 1.26 -2.30 0.00 0.00 0.00 175.30 173.68 2uu9 n PRO 64 N 4.50 0.00 0.01 5.12 -0.02 -1.26 -4.87 135.00 138.47 2uu9 n PRO 64 Ca 0.13 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.43 2uu9 n PRO 64 Cb 0.41 -1.06 -0.14 0.00 -0.02 0.00 0.00 33.50 32.69 2uu9 n PRO 64 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2uu9 h ILE 65 N 4.03 0.72 -2.98 4.25 5.03 -1.07 -3.50 117.51 124.00 2uu9 h ILE 65 Ca -0.23 -2.46 0.01 0.00 -0.12 0.00 0.00 64.86 62.07 2uu9 h ILE 65 Cb 0.98 2.52 -0.01 0.00 -3.03 0.00 0.00 36.82 37.28 2uu9 h ILE 65 CO 0.72 0.80 0.28 -0.94 -0.68 0.00 0.00 178.15 178.33 2uu9 s SER 66 N -6.85 -0.06 0.48 1.72 1.04 -1.09 -5.00 113.70 103.94 2uu9 s SER 66 Ca -0.17 -0.99 -0.24 0.00 0.48 0.00 0.00 55.95 55.03 2uu9 s SER 66 Cb 0.07 0.81 -0.07 0.00 0.10 0.00 0.00 66.02 66.93 2uu9 s SER 66 CO 0.79 -1.58 1.33 -0.75 0.98 0.00 0.00 173.24 174.02 2uu9 s LYS 67 N -2.72 3.54 0.00 4.02 2.20 -1.26 -1.26 119.74 124.27 2uu9 s LYS 67 Ca 0.14 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 2uu9 s LYS 67 Cb -0.05 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.79 2uu9 s LYS 67 CO 0.10 -0.85 0.00 -2.13 -0.36 0.00 0.00 175.35 172.11 2uu9 n ARG 68 N -0.50 0.00 -3.90 4.03 3.00 -1.26 -4.92 116.66 113.11 2uu9 n ARG 68 Ca 0.07 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.59 2uu9 n ARG 68 Cb 0.44 -1.74 -0.13 0.00 0.00 0.00 0.00 32.46 31.03 2uu9 n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2uu9 s LYS 69 N 0.00 1.77 -0.10 -0.14 2.20 -0.39 -4.37 119.74 118.71 2uu9 s LYS 69 Ca 0.00 -1.92 0.14 0.00 -0.36 0.00 0.00 55.97 53.83 2uu9 s LYS 69 Cb 0.00 -3.40 0.30 0.00 -1.51 0.00 0.00 37.83 33.22 2uu9 s LYS 69 CO 0.00 -1.02 1.15 0.54 -0.36 0.00 0.00 175.35 175.66 2uu9 n ARG 70 N 4.31 0.89 -3.93 4.03 3.00 -1.25 -0.44 116.66 123.26 2uu9 n ARG 70 Ca 0.02 -2.38 -0.10 0.00 -0.01 0.00 0.00 57.85 55.38 2uu9 n ARG 70 Cb 0.41 -1.06 -0.09 0.00 0.00 0.00 0.00 32.46 31.71 2uu9 n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2uu9 s PHE 71 N -1.89 0.19 0.14 -1.55 0.08 -1.26 -1.22 117.98 112.48 2uu9 s PHE 71 Ca 0.28 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.94 2uu9 s PHE 71 Cb 0.27 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.55 2uu9 s PHE 71 CO -0.04 -0.34 -0.17 1.03 -0.10 0.00 0.00 175.22 175.59 2uu9 s ARG 72 N -2.40 1.17 -0.60 0.44 0.52 -0.99 0.06 118.95 117.15 2uu9 s ARG 72 Ca -0.07 -1.31 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 2uu9 s ARG 72 Cb -0.02 -1.19 0.03 0.00 0.52 0.00 0.00 34.95 34.28 2uu9 s ARG 72 CO -0.04 0.24 1.15 0.08 0.02 0.00 0.00 175.30 176.76 2uu9 s VAL 73 N -1.95 4.06 0.08 3.52 1.01 -1.12 -1.43 120.40 124.56 2uu9 s VAL 73 Ca 0.12 0.70 -0.36 0.00 0.00 0.00 0.00 61.98 62.44 2uu9 s VAL 73 Cb -0.06 -4.71 -0.18 0.00 0.00 0.00 0.00 36.38 31.42 2uu9 s VAL 73 CO 0.05 -1.36 1.57 0.25 0.00 0.00 0.00 175.10 175.61 2uu9 h LEU 74 N 11.86 -1.28 0.00 3.92 6.46 -0.41 -3.48 115.31 132.37 2uu9 h LEU 74 Ca -0.26 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2uu9 h LEU 74 Cb 1.06 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 2uu9 h LEU 74 CO 1.18 -0.71 0.00 -2.11 -0.62 0.00 0.00 178.44 176.18 2uu9 n ARG 75 N -5.59 0.00 -4.26 1.25 1.85 -1.20 -4.98 116.66 103.73 2uu9 n ARG 75 Ca -0.14 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.38 2uu9 n ARG 75 Cb 0.48 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 31.74 2uu9 n ARG 75 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2uu9 s LEU 76 N 0.00 2.61 -0.07 2.89 2.96 -1.26 -2.58 118.68 123.23 2uu9 s LEU 76 Ca 0.00 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.39 2uu9 s LEU 76 Cb 0.00 -1.62 -0.28 0.00 0.50 0.00 0.00 46.19 44.78 2uu9 s LEU 76 CO 0.00 0.04 0.58 0.58 -1.32 0.00 0.00 176.35 176.24 2uu9 h VAL 77 N 5.69 0.85 -2.17 1.68 2.07 -0.71 -3.48 116.25 120.16 2uu9 h VAL 77 Ca -0.37 -2.50 0.27 0.00 0.82 0.00 0.00 66.70 64.92 2uu9 h VAL 77 Cb 1.17 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 2uu9 h VAL 77 CO 0.59 0.85 0.76 -1.83 0.02 0.00 0.00 177.57 177.97 2uu9 s GLU 78 N -2.58 0.75 0.35 1.57 -1.05 -0.99 -5.01 118.70 111.75 2uu9 s GLU 78 Ca -0.17 -0.47 -0.11 0.00 -0.15 0.00 0.00 54.97 54.07 2uu9 s GLU 78 Cb 0.06 0.22 0.03 0.00 -0.44 0.00 0.00 34.13 34.00 2uu9 s GLU 78 CO 0.82 -0.35 0.65 -1.54 0.95 0.00 0.00 175.26 175.80 2uu9 s SER 79 N -3.50 0.30 0.00 0.83 1.04 -1.26 -0.37 113.70 110.75 2uu9 s SER 79 Ca 0.24 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.45 2uu9 s SER 79 Cb -0.00 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.87 2uu9 s SER 79 CO 0.01 -1.49 0.00 0.61 0.98 0.00 0.00 173.24 173.35 2uu9 n GLY 80 N -0.53 0.43 3.37 7.32 0.00 -0.95 -4.93 105.19 109.90 2uu9 n GLY 80 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2uu9 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uu9 n ARG 81 N -2.05 3.21 0.08 1.61 1.74 -0.48 -4.65 116.66 116.13 2uu9 n ARG 81 Ca 0.00 -3.32 0.11 0.00 -0.77 0.00 0.00 57.85 53.87 2uu9 n ARG 81 Cb 0.10 -3.32 0.44 0.00 -1.02 0.00 0.00 32.46 28.66 2uu9 n ARG 81 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2uu9 n MET 82 N 7.11 0.14 -0.08 5.56 2.81 -1.26 -2.94 117.12 128.46 2uu9 n MET 82 Ca 0.46 0.31 -0.07 0.00 -1.81 0.00 0.00 57.70 56.59 2uu9 n MET 82 Cb 0.43 -1.74 -0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2uu9 n MET 82 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 2uu9 h ASP 83 N 0.00 0.06 -0.35 7.83 2.03 -1.96 0.80 116.42 124.83 2uu9 h ASP 83 Ca 0.00 0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.29 2uu9 h ASP 83 Cb 0.41 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 38.94 2uu9 h ASP 83 CO 0.00 0.07 0.03 -0.07 -1.03 0.00 0.00 179.24 178.24 2uu9 h LEU 84 N 0.19 0.57 -0.54 0.15 3.38 -1.94 -2.18 115.31 114.94 2uu9 h LEU 84 Ca 0.13 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2uu9 h LEU 84 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2uu9 h LEU 84 CO -0.16 0.71 0.35 0.58 0.09 0.00 0.00 178.44 180.02 2uu9 h VAL 85 N 0.41 1.13 0.16 1.22 2.07 -1.49 -2.22 116.25 117.54 2uu9 h VAL 85 Ca 0.10 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2uu9 h VAL 85 Cb 0.40 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2uu9 h VAL 85 CO 0.01 0.13 -0.33 -0.33 0.02 0.00 0.00 177.57 177.08 2uu9 h GLU 86 N 0.72 -0.56 -0.38 1.57 4.39 0.80 -0.20 114.58 120.91 2uu9 h GLU 86 Ca 0.20 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.98 2uu9 h GLU 86 Cb -0.07 0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.63 2uu9 h GLU 86 CO -0.05 -0.37 -0.47 0.87 -1.16 0.00 0.00 179.01 177.83 2uu9 h LYS 87 N -0.58 -0.30 -0.76 2.33 1.57 -1.09 0.17 116.57 117.91 2uu9 h LYS 87 Ca 0.02 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.00 2uu9 h LYS 87 Cb 0.59 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.84 2uu9 h LYS 87 CO -0.16 -0.20 0.08 -0.92 -0.57 0.00 0.00 179.45 177.68 2uu9 h TYR 88 N -0.31 0.08 -0.79 -1.35 3.20 -1.12 -1.53 116.97 115.16 2uu9 h TYR 88 Ca 0.07 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.04 2uu9 h TYR 88 Cb 0.49 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 2uu9 h TYR 88 CO -0.73 -0.20 0.48 -0.07 -1.64 0.00 0.00 178.16 176.00 2uu9 h LEU 89 N 0.15 0.75 -0.16 2.82 3.38 0.11 -2.61 115.31 119.75 2uu9 h LEU 89 Ca 0.43 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 2uu9 h LEU 89 Cb 0.77 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2uu9 h LEU 89 CO -0.62 0.48 -0.27 0.40 0.09 0.00 0.00 178.44 178.52 2uu9 h ILE 90 N 0.88 1.35 -0.62 1.22 2.04 -0.19 0.05 117.51 122.24 2uu9 h ILE 90 Ca 0.34 -1.51 0.11 0.00 1.00 0.00 0.00 64.86 64.81 2uu9 h ILE 90 Cb 0.15 1.94 -0.12 0.00 -0.74 0.00 0.00 36.82 38.05 2uu9 h ILE 90 CO -0.17 0.45 -0.30 -0.09 0.00 0.00 0.00 178.15 178.05 2uu9 h ARG 91 N 0.10 -0.12 -0.52 2.37 2.43 -1.17 2.69 114.38 120.15 2uu9 h ARG 91 Ca 0.01 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2uu9 h ARG 91 Cb 0.85 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 2uu9 h ARG 91 CO 0.06 -0.08 0.10 -0.09 -1.51 0.00 0.00 179.97 178.46 2uu9 h ARG 92 N -0.12 0.82 -0.59 0.20 2.43 -1.37 -0.55 114.38 115.19 2uu9 h ARG 92 Ca 0.26 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2uu9 h ARG 92 Cb 0.54 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2uu9 h ARG 92 CO -0.69 0.75 0.27 0.37 -1.51 0.00 0.00 179.97 179.15 2uu9 h GLN 93 N 0.78 0.87 0.30 0.20 4.15 0.24 -2.83 115.11 118.82 2uu9 h GLN 93 Ca 0.17 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2uu9 h GLN 93 Cb 0.33 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 2uu9 h GLN 93 CO 0.00 0.72 -0.30 -0.97 -1.93 0.00 0.00 178.83 176.35 2uu9 h ASN 94 N 0.82 -0.82 -0.45 -0.69 -1.24 0.52 -3.18 115.58 110.54 2uu9 h ASN 94 Ca 0.20 0.07 0.04 0.00 0.71 0.00 0.00 56.30 57.33 2uu9 h ASN 94 Cb 0.15 0.28 -0.06 0.00 0.73 0.00 0.00 38.32 39.43 2uu9 h ASN 94 CO -0.02 -0.43 -0.30 1.88 -1.29 0.00 0.00 177.43 177.27 2uu9 h TYR 95 N -0.63 -0.94 0.00 0.67 -1.99 -0.89 0.75 116.97 113.93 2uu9 h TYR 95 Ca -0.01 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2uu9 h TYR 95 Cb 0.58 0.47 0.00 0.00 2.00 0.00 0.00 36.73 39.78 2uu9 h TYR 95 CO -0.19 -0.20 0.00 0.39 -0.00 0.00 0.00 178.16 178.16 2uu9 n GLU 96 N -4.12 0.02 -0.53 4.88 -0.58 -1.14 -1.28 120.64 117.89 2uu9 n GLU 96 Ca 0.00 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 2uu9 n GLU 96 Cb 0.14 -1.00 0.20 0.00 -0.57 0.00 0.00 31.44 30.20 2uu9 n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2uu9 n SER 97 N -0.00 2.18 0.00 1.62 3.41 0.26 -3.87 113.62 117.22 2uu9 n SER 97 Ca 0.00 -3.64 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 2uu9 n SER 97 Cb 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2uu9 n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2uu9 n LEU 98 N -1.15 0.00 0.00 1.04 4.77 -0.40 -4.31 117.00 116.95 2uu9 n LEU 98 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2uu9 n LEU 98 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2uu9 n LEU 98 CO 0.04 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.56 2uu9 n SER 99 N 0.00 -0.34 -0.40 -1.43 3.41 -1.26 -0.10 113.62 113.49 2uu9 n SER 99 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.75 2uu9 n SER 99 Cb 0.00 0.00 0.48 0.00 -0.26 0.00 0.00 64.21 64.43 2uu9 n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uu9 n LYS 100 N 0.00 1.39 -0.01 4.33 5.02 -1.26 -4.04 118.16 123.59 2uu9 n LYS 100 Ca 0.00 -0.81 0.03 0.00 -2.02 0.00 0.00 58.31 55.51 2uu9 n LYS 100 Cb 0.00 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2uu9 n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2uu9 n ARG 101 N -0.10 0.25 0.00 1.97 5.12 -1.23 -5.05 116.66 117.62 2uu9 n ARG 101 Ca 0.17 -0.96 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 2uu9 n ARG 101 Cb 0.35 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 2uu9 n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uu9 n GLY 102 N 0.23 -2.33 0.00 -0.13 0.00 0.85 -4.84 105.19 98.97 2uu9 n GLY 102 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2uu9 n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uu9 n GLY 103 N 2.19 -0.60 3.72 -0.02 0.00 -1.26 -4.89 105.19 104.33 2uu9 n GLY 103 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2uu9 n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uu9 s LYS 104 N 0.00 4.54 0.00 1.61 -0.14 -1.26 -5.11 119.74 119.37 2uu9 s LYS 104 Ca 0.00 1.23 0.13 0.00 -1.36 0.00 0.00 55.97 55.97 2uu9 s LYS 104 Cb 0.00 -3.43 0.75 0.00 -1.68 0.00 0.00 37.83 33.47 2uu9 s LYS 104 CO 0.00 0.06 1.18 0.00 -0.76 0.00 0.00 175.35 175.83