#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n LYS 3 N 0.00 0.20 -0.93 0.54 5.02 -1.26 -4.72 118.16 117.01 3huw n LYS 3 Ca 0.00 0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.98 3huw n LYS 3 Cb 0.00 -1.83 -0.03 0.00 -0.02 0.00 0.00 35.03 33.16 3huw n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3huw n LYS 4 N 8.44 0.00 -3.55 1.97 3.00 -1.26 -4.16 118.16 122.60 3huw n LYS 4 Ca 0.59 0.00 -0.20 0.00 -0.00 0.00 0.00 58.31 58.70 3huw n LYS 4 Cb 0.11 -0.71 -0.14 0.00 0.00 0.00 0.00 35.03 34.28 3huw n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3huw s VAL 5 N -0.54 -0.26 0.41 3.15 1.01 -1.26 0.22 120.40 123.14 3huw s VAL 5 Ca 0.45 -0.06 0.08 0.00 0.00 0.00 0.00 61.98 62.45 3huw s VAL 5 Cb -0.65 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3huw s VAL 5 CO 0.37 -0.17 0.54 -0.76 0.00 0.00 0.00 175.10 175.08 3huw s LEU 6 N 2.28 3.65 -0.03 3.92 1.02 0.20 -4.87 118.68 124.84 3huw s LEU 6 Ca 0.05 -0.44 0.01 0.00 0.02 0.00 0.00 54.13 53.77 3huw s LEU 6 Cb -0.15 -2.60 0.02 0.00 0.02 0.00 0.00 46.19 43.47 3huw s LEU 6 CO -0.10 -0.73 -0.05 -0.89 0.02 0.00 0.00 176.35 174.60 3huw s THR 7 N -2.35 0.53 0.05 5.49 2.01 -1.26 0.89 115.64 121.00 3huw s THR 7 Ca 0.54 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 3huw s THR 7 Cb -0.09 -0.53 0.09 0.00 0.01 0.00 0.00 72.50 71.98 3huw s THR 7 CO 0.32 0.21 1.20 -0.83 -0.69 0.00 0.00 174.62 174.83 3huw s GLY 8 N 0.63 -0.07 0.56 4.40 0.00 -0.52 -4.31 107.32 108.00 3huw s GLY 8 Ca -0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.52 3huw s GLY 8 CO 0.00 4.10 0.90 0.14 0.00 0.00 0.00 173.10 178.24 3huw s VAL 9 N -2.11 4.54 -0.17 1.40 1.01 -0.34 -1.11 120.40 123.62 3huw s VAL 9 Ca 0.26 0.39 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 3huw s VAL 9 Cb -0.01 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 3huw s VAL 9 CO 0.01 -0.86 -0.02 -0.69 0.00 0.00 0.00 175.10 173.55 3huw s VAL 10 N -2.96 4.00 -0.09 2.92 1.01 -0.53 0.20 120.40 124.94 3huw s VAL 10 Ca 0.51 -0.32 0.14 0.00 0.00 0.00 0.00 61.98 62.32 3huw s VAL 10 Cb -0.11 -2.77 0.21 0.00 0.00 0.00 0.00 36.38 33.71 3huw s VAL 10 CO 0.48 0.47 1.10 1.33 0.00 0.00 0.00 175.10 178.49 3huw n VAL 11 N 3.71 1.40 -3.59 2.92 0.24 -0.08 -1.91 118.33 121.02 3huw n VAL 11 Ca -0.17 -1.67 -0.02 0.00 -2.04 0.00 0.00 64.34 60.44 3huw n VAL 11 Cb 0.52 -0.02 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 3huw n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3huw s SER 12 N -2.33 -0.73 -0.15 -1.34 0.15 -1.25 -4.97 113.70 103.07 3huw s SER 12 Ca 0.23 1.09 0.16 0.00 0.70 0.00 0.00 55.95 58.13 3huw s SER 12 Cb 0.20 1.54 0.33 0.00 -1.71 0.00 0.00 66.02 66.38 3huw s SER 12 CO 0.02 -0.16 1.17 -0.67 1.20 0.00 0.00 173.24 174.80 3huw n ASP 13 N 4.44 2.08 0.00 5.45 -0.08 -1.26 -3.16 116.55 124.02 3huw n ASP 13 Ca -0.15 -3.34 0.04 0.00 -1.51 0.00 0.00 54.79 49.82 3huw n ASP 13 Cb 0.55 -0.46 0.25 0.00 2.34 0.00 0.00 41.12 43.80 3huw n ASP 13 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3huw n LYS 14 N -1.29 0.97 -4.34 -0.67 4.01 -1.26 -4.82 118.16 110.76 3huw n LYS 14 Ca 0.17 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.72 3huw n LYS 14 Cb 0.66 -1.13 -0.13 0.00 -0.51 0.00 0.00 35.03 33.92 3huw n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 3huw s MET 15 N -2.00 1.18 -0.16 1.97 -1.94 -1.26 -5.10 119.30 111.99 3huw s MET 15 Ca 0.13 -1.15 -0.29 0.00 -1.71 0.00 0.00 55.69 52.66 3huw s MET 15 Cb 0.06 -1.45 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 3huw s MET 15 CO 0.10 0.34 1.43 -0.65 -0.01 0.00 0.00 175.02 176.22 3huw s GLN 16 N -1.83 4.12 -1.46 2.03 -0.21 -1.26 -3.47 119.66 117.57 3huw s GLN 16 Ca 0.07 1.77 -0.10 0.00 0.02 0.00 0.00 55.36 57.12 3huw s GLN 16 Cb -0.10 -3.88 0.04 0.00 1.00 0.00 0.00 33.01 30.08 3huw s GLN 16 CO 0.04 -0.87 0.86 1.63 -2.12 0.00 0.00 175.29 174.83 3huw n LYS 17 N 6.98 -5.66 -3.60 2.91 5.02 -1.26 -4.97 118.16 117.57 3huw n LYS 17 Ca 0.16 0.72 -0.16 0.00 -2.02 0.00 0.00 58.31 57.01 3huw n LYS 17 Cb 0.44 -5.62 -0.07 0.00 -0.02 0.00 0.00 35.03 29.76 3huw n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3huw s THR 18 N -3.21 0.01 0.13 -0.18 2.01 -1.23 -2.78 115.64 110.39 3huw s THR 18 Ca 0.51 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.46 3huw s THR 18 Cb -0.24 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3huw s THR 18 CO 0.63 -0.05 -0.09 0.68 -0.69 0.00 0.00 174.62 175.10 3huw s VAL 19 N -0.76 1.04 -0.32 3.82 -7.23 0.36 -4.26 120.40 113.04 3huw s VAL 19 Ca -0.08 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 3huw s VAL 19 Cb -0.02 -1.80 0.03 0.00 0.56 0.00 0.00 36.38 35.14 3huw s VAL 19 CO 0.06 -0.78 0.10 -0.89 -0.31 0.00 0.00 175.10 173.28 3huw s THR 20 N -3.40 3.91 -0.32 5.32 2.01 -1.19 0.11 115.64 122.09 3huw s THR 20 Ca 0.15 -0.93 -0.09 0.00 0.31 0.00 0.00 61.69 61.14 3huw s THR 20 Cb 0.03 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.42 3huw s THR 20 CO -0.01 -0.07 0.13 -0.69 -0.69 0.00 0.00 174.62 173.29 3huw s VAL 21 N 1.45 4.31 -0.01 3.82 1.01 0.21 -0.90 120.40 130.30 3huw s VAL 21 Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 3huw s VAL 21 Cb -0.18 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 3huw s VAL 21 CO 0.03 0.01 0.95 -0.22 0.00 0.00 0.00 175.10 175.87 3huw s LEU 22 N 1.55 4.36 -0.07 3.92 2.96 0.53 -0.97 118.68 130.96 3huw s LEU 22 Ca 0.03 1.60 0.03 0.00 -0.22 0.00 0.00 54.13 55.57 3huw s LEU 22 Cb -0.18 -3.51 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 3huw s LEU 22 CO 0.05 -0.24 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.01 3huw s VAL 23 N 0.99 3.09 0.01 1.68 1.01 0.94 -1.20 120.40 126.92 3huw s VAL 23 Ca 0.50 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.81 3huw s VAL 23 Cb -0.21 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3huw s VAL 23 CO 0.27 0.58 -0.03 -1.61 0.00 0.00 0.00 175.10 174.31 3huw s GLU 24 N -0.47 2.66 -0.14 2.72 2.02 -1.26 0.00 118.70 124.24 3huw s GLU 24 Ca 0.06 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 3huw s GLU 24 Cb -0.12 -2.59 0.07 0.00 0.10 0.00 0.00 34.13 31.59 3huw s GLU 24 CO 0.02 0.61 0.20 0.50 0.02 0.00 0.00 175.26 176.60 3huw s ARG 25 N -1.60 0.11 0.16 1.61 3.52 0.30 -4.95 118.95 118.11 3huw s ARG 25 Ca 0.19 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 3huw s ARG 25 Cb -0.11 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 3huw s ARG 25 CO 0.10 -0.46 0.33 1.14 -0.81 0.00 0.00 175.30 175.60 3huw s GLN 26 N 2.32 3.49 -0.24 5.12 -2.07 -1.26 -1.11 119.66 125.91 3huw s GLN 26 Ca 0.04 -0.42 -0.35 0.00 -1.82 0.00 0.00 55.36 52.81 3huw s GLN 26 Cb -0.14 -2.91 0.15 0.00 -1.09 0.00 0.00 33.01 29.03 3huw s GLN 26 CO -0.09 0.48 1.28 -0.59 -1.32 0.00 0.00 175.29 175.05 3huw s PHE 27 N -1.75 -0.09 0.36 9.60 -0.12 -1.12 -4.97 117.98 119.89 3huw s PHE 27 Ca 0.37 0.09 -0.28 0.00 -0.05 0.00 0.00 56.93 57.06 3huw s PHE 27 Cb -0.11 0.50 -0.10 0.00 -0.63 0.00 0.00 43.02 42.68 3huw s PHE 27 CO 0.28 -0.12 1.30 -2.14 -0.05 0.00 0.00 175.22 174.49 3huw s PRO 28 N -1.95 4.21 -0.07 1.99 0.02 -1.26 0.41 135.00 138.34 3huw s PRO 28 Ca 0.09 2.19 -0.30 0.00 0.02 0.00 0.00 61.00 63.00 3huw s PRO 28 Cb -0.01 -2.95 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 3huw s PRO 28 CO -0.04 -0.30 1.29 -1.58 -0.33 0.00 0.00 177.00 176.04 3huw s HIS 29 N -1.19 2.94 0.00 6.54 2.46 0.32 -4.80 115.29 121.56 3huw s HIS 29 Ca 0.52 1.00 0.00 0.00 0.47 0.00 0.00 55.06 57.05 3huw s HIS 29 Cb -0.39 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.53 3huw s HIS 29 CO 0.51 -1.85 0.22 -0.35 -2.47 0.00 0.00 174.74 170.80 3huw n PRO 30 N 5.75 0.20 0.00 2.88 -0.04 -1.26 -1.94 135.00 140.59 3huw n PRO 30 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3huw n PRO 30 Cb 0.45 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3huw n PRO 30 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3huw n LEU 31 N 0.96 0.00 -0.90 1.53 7.94 -1.26 -4.95 117.00 120.33 3huw n LEU 31 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 3huw n LEU 31 Cb 0.10 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.28 3huw n LEU 31 CO 0.00 0.00 0.69 -1.22 -1.11 0.00 0.00 177.39 175.75 3huw n TYR 32 N -0.53 0.83 0.00 1.96 0.53 -1.17 -5.03 117.16 113.75 3huw n TYR 32 Ca 0.00 -0.67 0.00 0.00 -1.02 0.00 0.00 57.90 56.21 3huw n TYR 32 Cb 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 39.34 38.13 3huw n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3huw n GLY 33 N 0.20 0.76 0.00 2.72 0.00 -0.82 -4.83 105.19 103.22 3huw n GLY 33 Ca 0.18 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3huw n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3huw n LYS 34 N 0.00 0.00 -2.27 1.61 4.81 -1.26 0.12 118.16 121.17 3huw n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3huw n LYS 34 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3huw n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3huw s VAL 35 N 0.00 3.71 -0.14 3.15 1.01 -1.26 -0.94 120.40 125.93 3huw s VAL 35 Ca 0.00 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 3huw s VAL 35 Cb 0.00 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3huw s VAL 35 CO 0.00 0.04 0.01 0.27 0.00 0.00 0.00 175.10 175.42 3huw s ILE 36 N 1.74 4.30 -0.24 2.22 -4.36 0.16 -4.89 121.20 120.14 3huw s ILE 36 Ca 0.62 -0.22 -0.26 0.00 -0.26 0.00 0.00 60.65 60.53 3huw s ILE 36 Cb -0.32 -2.88 -0.00 0.00 1.25 0.00 0.00 42.46 40.51 3huw s ILE 36 CO 0.28 0.52 0.88 -0.75 0.24 0.00 0.00 174.94 176.11 3huw s LYS 37 N -0.04 4.20 -0.10 0.37 2.20 -1.26 -2.79 119.74 122.32 3huw s LYS 37 Ca 0.03 1.04 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 3huw s LYS 37 Cb -0.13 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.56 3huw s LYS 37 CO 0.02 -0.54 -0.13 0.50 -0.36 0.00 0.00 175.35 174.83 3huw s ARG 38 N 2.93 1.98 0.32 4.03 6.06 -0.27 -5.00 118.95 129.00 3huw s ARG 38 Ca 0.37 -0.48 0.10 0.00 -2.50 0.00 0.00 55.73 53.22 3huw s ARG 38 Cb -0.15 -1.70 -0.06 0.00 0.06 0.00 0.00 34.95 33.10 3huw s ARG 38 CO 0.07 -0.06 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.15 3huw s SER 39 N 0.96 3.56 -0.11 -2.12 1.04 -1.26 0.11 113.70 115.88 3huw s SER 39 Ca -0.08 -1.15 -0.28 0.00 0.48 0.00 0.00 55.95 54.92 3huw s SER 39 Cb -0.15 -0.31 0.07 0.00 0.10 0.00 0.00 66.02 65.73 3huw s SER 39 CO -0.01 -0.15 0.66 -0.75 0.98 0.00 0.00 173.24 173.97 3huw s LYS 40 N -3.60 0.97 -0.12 4.02 2.20 0.10 -4.96 119.74 118.35 3huw s LYS 40 Ca 0.31 0.44 -0.10 0.00 -0.36 0.00 0.00 55.97 56.26 3huw s LYS 40 Cb 0.01 0.46 -0.05 0.00 -1.51 0.00 0.00 37.83 36.74 3huw s LYS 40 CO 0.15 -0.26 0.21 0.15 -0.36 0.00 0.00 175.35 175.25 3huw s LYS 41 N -0.75 3.83 0.07 4.03 1.02 -1.26 -0.04 119.74 126.62 3huw s LYS 41 Ca -0.08 -0.01 0.08 0.00 0.02 0.00 0.00 55.97 55.98 3huw s LYS 41 Cb -0.02 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3huw s LYS 41 CO 0.07 0.57 -0.21 0.71 -0.92 0.00 0.00 175.35 175.57 3huw s TYR 42 N -0.48 1.83 -0.60 3.18 1.51 -0.15 -4.97 117.35 117.68 3huw s TYR 42 Ca 0.15 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.71 3huw s TYR 42 Cb -0.13 -1.06 0.15 0.00 -0.11 0.00 0.00 41.96 40.82 3huw s TYR 42 CO 0.04 0.14 0.50 -0.51 -1.11 0.00 0.00 175.55 174.62 3huw s LEU 43 N -1.49 6.03 0.68 -1.29 1.43 -1.26 0.67 118.68 123.45 3huw s LEU 43 Ca 0.07 -2.20 -0.13 0.00 -1.03 0.00 0.00 54.13 50.84 3huw s LEU 43 Cb -0.09 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.04 3huw s LEU 43 CO 0.03 -0.66 1.08 0.00 0.23 0.00 0.00 176.35 177.03 3huw s ALA 44 N 0.93 2.54 -0.35 4.21 0.00 0.12 -4.55 121.76 124.65 3huw s ALA 44 Ca 0.10 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3huw s ALA 44 Cb -0.22 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.65 3huw s ALA 44 CO -0.02 -1.26 0.20 -1.58 0.00 0.00 0.00 175.76 173.10 3huw s HIS 45 N -2.65 3.22 -0.79 0.00 2.46 -1.15 -0.49 115.29 115.88 3huw s HIS 45 Ca 0.63 -0.72 0.02 0.00 0.47 0.00 0.00 55.06 55.46 3huw s HIS 45 Cb -0.17 -2.43 0.29 0.00 -0.13 0.00 0.00 32.58 30.14 3huw s HIS 45 CO 0.47 -0.55 1.10 -3.47 -2.47 0.00 0.00 174.74 169.82 3huw n ASP 46 N 5.02 5.01 0.08 9.88 4.64 -1.12 -3.61 116.55 136.46 3huw n ASP 46 Ca -0.12 -3.51 0.05 0.00 -1.38 0.00 0.00 54.79 49.83 3huw n ASP 46 Cb 0.48 -0.87 0.26 0.00 -1.04 0.00 0.00 41.12 39.95 3huw n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3huw n PRO 47 N 0.70 0.06 0.00 -0.67 -0.04 -1.26 0.15 135.00 133.95 3huw n PRO 47 Ca 0.31 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.41 3huw n PRO 47 Cb 0.37 -1.79 0.13 0.00 -0.04 0.00 0.00 33.50 32.17 3huw n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3huw n GLU 48 N -1.82 1.19 -3.89 0.54 1.02 -1.26 -4.97 120.64 111.44 3huw n GLU 48 Ca -0.01 -0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 55.90 3huw n GLU 48 Cb 0.10 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.04 3huw n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3huw n GLU 49 N -0.11 -1.09 0.00 3.49 -0.58 0.40 -4.88 120.64 117.87 3huw n GLU 49 Ca 0.11 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.37 3huw n GLU 49 Cb 0.44 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 3huw n GLU 49 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3huw n LYS 50 N -3.48 2.37 -2.90 3.49 2.85 -1.26 -5.04 118.16 114.19 3huw n LYS 50 Ca -0.25 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.61 3huw n LYS 50 Cb 0.65 -0.79 -0.05 0.00 -0.65 0.00 0.00 35.03 34.19 3huw n LYS 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3huw s TYR 51 N -1.50 3.77 0.31 5.58 1.51 -1.26 -5.05 117.35 120.71 3huw s TYR 51 Ca 0.00 1.58 0.03 0.00 -1.01 0.00 0.00 57.07 57.68 3huw s TYR 51 Cb 0.00 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.90 3huw s TYR 51 CO 0.00 0.27 0.06 -1.59 -1.11 0.00 0.00 175.55 173.18 3huw s LYS 52 N -0.12 1.60 0.02 -0.62 0.00 -1.26 -4.97 119.74 114.39 3huw s LYS 52 Ca 0.41 -1.88 -0.26 0.00 0.00 0.00 0.00 55.97 54.24 3huw s LYS 52 Cb -0.22 -0.75 -0.13 0.00 0.00 0.00 0.00 37.83 36.73 3huw s LYS 52 CO 0.25 -0.20 0.67 -0.11 0.00 0.00 0.00 175.35 175.96 3huw n LEU 53 N -0.64 -0.14 0.00 2.77 7.94 -1.26 -1.46 117.00 124.21 3huw n LEU 53 Ca -0.02 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.67 3huw n LEU 53 Cb 0.66 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.99 3huw n LEU 53 CO 0.41 -1.41 0.00 0.61 -1.11 0.00 0.00 177.39 175.89 3huw n GLY 54 N 1.07 2.80 3.48 -3.96 0.00 -0.80 -4.72 105.19 103.07 3huw n GLY 54 Ca 0.13 -0.71 -0.53 0.00 0.00 0.00 0.00 46.02 44.92 3huw n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3huw n ASP 55 N 1.80 -0.16 -4.23 1.61 8.00 -0.54 -3.62 116.55 119.40 3huw n ASP 55 Ca 0.00 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.24 3huw n ASP 55 Cb 0.00 -1.00 -0.09 0.00 -0.02 0.00 0.00 41.12 40.01 3huw n ASP 55 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3huw s VAL 56 N -0.41 4.17 0.42 2.53 1.01 -1.18 -1.46 120.40 125.48 3huw s VAL 56 Ca 0.77 -1.65 0.07 0.00 0.00 0.00 0.00 61.98 61.18 3huw s VAL 56 Cb -1.05 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 3huw s VAL 56 CO 0.56 -0.66 0.24 0.68 0.00 0.00 0.00 175.10 175.91 3huw s VAL 57 N 1.38 2.37 -0.19 2.92 -7.23 -0.27 -1.37 120.40 118.01 3huw s VAL 57 Ca 0.05 -1.60 -0.09 0.00 -1.81 0.00 0.00 61.98 58.53 3huw s VAL 57 Cb -0.25 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.68 3huw s VAL 57 CO 0.00 0.00 0.12 -1.61 -0.31 0.00 0.00 175.10 173.30 3huw s GLU 58 N -3.98 4.10 -0.05 4.82 2.02 -0.10 -1.44 118.70 124.07 3huw s GLU 58 Ca 0.42 -0.23 -0.02 0.00 0.02 0.00 0.00 54.97 55.17 3huw s GLU 58 Cb 0.02 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.83 3huw s GLU 58 CO 0.24 0.34 0.05 0.42 0.02 0.00 0.00 175.26 176.33 3huw s ILE 59 N 0.25 4.64 -0.07 -1.63 -1.09 0.26 0.06 121.20 123.62 3huw s ILE 59 Ca 0.08 -0.27 0.05 0.00 -2.23 0.00 0.00 60.65 58.28 3huw s ILE 59 Cb -0.11 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3huw s ILE 59 CO -0.01 0.49 -0.22 -0.51 -1.23 0.00 0.00 174.94 173.46 3huw s ILE 60 N -1.04 1.84 0.20 2.92 2.07 0.20 -0.63 121.20 126.76 3huw s ILE 60 Ca 0.18 -0.92 -0.32 0.00 -1.41 0.00 0.00 60.65 58.17 3huw s ILE 60 Cb -0.12 -1.58 -0.13 0.00 0.13 0.00 0.00 42.46 40.77 3huw s ILE 60 CO 0.08 0.51 1.64 1.21 -1.91 0.00 0.00 174.94 176.47 3huw n GLU 61 N 3.24 2.52 -4.10 3.50 2.13 0.60 -1.73 120.64 126.80 3huw n GLU 61 Ca -0.19 0.91 -0.13 0.00 0.66 0.00 0.00 57.16 58.41 3huw n GLU 61 Cb 0.52 -2.71 -0.06 0.00 0.27 0.00 0.00 31.44 29.46 3huw n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 3huw s SER 62 N 0.96 0.58 0.31 4.31 0.01 -0.74 -4.79 113.70 114.34 3huw s SER 62 Ca 0.75 -1.35 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 3huw s SER 62 Cb -0.57 0.58 -0.11 0.00 0.21 0.00 0.00 66.02 66.13 3huw s SER 62 CO 0.37 -1.15 1.44 -0.60 0.41 0.00 0.00 173.24 173.71 3huw s ARG 63 N -3.55 4.23 -0.19 12.44 3.00 -1.26 -4.48 118.95 129.14 3huw s ARG 63 Ca 0.31 2.39 -0.41 0.00 -1.00 0.00 0.00 55.73 57.02 3huw s ARG 63 Cb 0.01 -3.05 -0.17 0.00 0.00 0.00 0.00 34.95 31.74 3huw s ARG 63 CO 0.16 -0.42 1.51 -2.30 0.00 0.00 0.00 175.30 174.26 3huw n PRO 64 N 1.46 0.74 -0.06 5.12 -0.02 -1.26 -4.73 135.00 136.25 3huw n PRO 64 Ca 0.04 0.27 -0.02 0.00 -2.02 0.00 0.00 63.50 61.77 3huw n PRO 64 Cb 0.40 -1.88 -0.15 0.00 -0.02 0.00 0.00 33.50 31.85 3huw n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3huw n ILE 65 N 3.50 0.77 0.00 4.25 5.41 0.37 -4.99 119.36 128.68 3huw n ILE 65 Ca 0.24 -0.65 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3huw n ILE 65 Cb 0.10 -0.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.73 3huw n ILE 65 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3huw n SER 66 N -2.49 0.00 0.00 4.38 3.41 -1.13 -4.93 113.62 112.87 3huw n SER 66 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3huw n SER 66 Cb 0.87 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.82 3huw n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3huw n LYS 67 N 0.00 0.00 0.00 4.33 4.81 -1.26 0.83 118.16 126.87 3huw n LYS 67 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3huw n LYS 67 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3huw n LYS 67 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3huw n ARG 68 N 0.00 0.00 -3.77 1.64 3.00 -1.26 -5.09 116.66 111.18 3huw n ARG 68 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 3huw n ARG 68 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 3huw n ARG 68 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3huw s LYS 69 N 0.00 2.42 -0.05 -0.14 1.02 0.24 -4.31 119.74 118.91 3huw s LYS 69 Ca 0.00 -1.42 0.16 0.00 0.02 0.00 0.00 55.97 54.73 3huw s LYS 69 Cb 0.00 -3.49 0.30 0.00 -0.52 0.00 0.00 37.83 34.12 3huw s LYS 69 CO 0.00 -0.82 1.13 0.54 -0.92 0.00 0.00 175.35 175.29 3huw n ARG 70 N 4.73 0.44 -4.06 1.68 3.00 -1.26 0.14 116.66 121.33 3huw n ARG 70 Ca -0.10 -2.05 -0.10 0.00 -0.01 0.00 0.00 57.85 55.59 3huw n ARG 70 Cb 0.43 -0.60 -0.08 0.00 0.00 0.00 0.00 32.46 32.21 3huw n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3huw s PHE 71 N -0.93 0.66 -0.02 -1.55 0.08 -1.26 -1.78 117.98 113.18 3huw s PHE 71 Ca 0.26 -1.00 -0.08 0.00 0.12 0.00 0.00 56.93 56.22 3huw s PHE 71 Cb 0.27 -0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.49 3huw s PHE 71 CO -0.08 -0.68 0.18 1.03 -0.10 0.00 0.00 175.22 175.56 3huw s ARG 72 N -4.03 0.46 -0.45 0.44 0.52 -0.70 -2.93 118.95 112.26 3huw s ARG 72 Ca 0.24 -0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 54.94 3huw s ARG 72 Cb 0.05 0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.71 3huw s ARG 72 CO 0.04 -0.11 1.57 0.08 0.02 0.00 0.00 175.30 176.90 3huw s VAL 73 N -1.05 3.70 0.02 3.52 1.01 -1.24 -0.63 120.40 125.73 3huw s VAL 73 Ca -0.11 0.66 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 3huw s VAL 73 Cb -0.06 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.07 3huw s VAL 73 CO 0.02 -0.77 1.36 0.25 0.00 0.00 0.00 175.10 175.95 3huw h LEU 74 N 13.29 -0.17 -7.07 3.92 7.12 -0.70 -3.48 115.31 128.23 3huw h LEU 74 Ca -0.29 -0.25 0.29 0.00 0.13 0.00 0.00 57.88 57.76 3huw h LEU 74 Cb 1.13 0.04 -0.17 0.00 -0.53 0.00 0.00 40.66 41.13 3huw h LEU 74 CO 1.11 0.16 0.84 0.00 -0.13 0.00 0.00 178.44 180.42 3huw s ARG 75 N -4.86 0.30 0.25 1.25 1.70 -1.23 -5.00 118.95 111.37 3huw s ARG 75 Ca -0.15 -0.13 -0.02 0.00 -0.47 0.00 0.00 55.73 54.96 3huw s ARG 75 Cb 0.03 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3huw s ARG 75 CO 0.61 -0.14 0.46 -1.17 -1.08 0.00 0.00 175.30 173.99 3huw s LEU 76 N -2.44 4.14 -0.15 -1.89 2.96 -1.26 -0.92 118.68 119.13 3huw s LEU 76 Ca 0.11 0.49 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3huw s LEU 76 Cb 0.01 -3.29 0.05 0.00 0.50 0.00 0.00 46.19 43.47 3huw s LEU 76 CO -0.04 -0.13 0.08 -0.69 -1.32 0.00 0.00 176.35 174.24 3huw s VAL 77 N -2.01 -0.02 -0.12 1.68 1.01 -0.47 -4.94 120.40 115.54 3huw s VAL 77 Ca 0.40 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.20 3huw s VAL 77 Cb -0.11 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.76 3huw s VAL 77 CO 0.30 -0.18 0.17 1.21 0.00 0.00 0.00 175.10 176.60 3huw n GLU 78 N 5.26 -4.60 -1.55 2.72 2.13 -1.26 -4.03 120.64 119.31 3huw n GLU 78 Ca -0.07 3.42 -0.25 0.00 0.66 0.00 0.00 57.16 60.93 3huw n GLU 78 Cb 0.49 -4.72 0.18 0.00 0.27 0.00 0.00 31.44 27.66 3huw n GLU 78 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3huw n SER 79 N 1.81 -0.10 -2.47 4.31 2.88 -1.26 -3.10 113.62 115.69 3huw n SER 79 Ca -0.28 -1.38 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 3huw n SER 79 Cb 0.43 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 3huw n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3huw n GLY 80 N -2.54 0.00 2.68 0.46 0.00 -1.26 -4.83 105.19 99.69 3huw n GLY 80 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3huw n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huw n ARG 81 N 2.24 1.11 -0.28 1.61 1.74 -1.24 -4.93 116.66 116.91 3huw n ARG 81 Ca 0.00 -2.06 0.07 0.00 -0.77 0.00 0.00 57.85 55.09 3huw n ARG 81 Cb 0.00 -0.63 0.22 0.00 -1.02 0.00 0.00 32.46 31.03 3huw n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3huw h MET 82 N 2.54 0.51 -0.93 5.56 2.86 -1.92 -2.65 114.93 120.90 3huw h MET 82 Ca -0.17 -0.03 0.33 0.00 -2.06 0.00 0.00 59.70 57.76 3huw h MET 82 Cb 1.19 -0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.64 3huw h MET 82 CO 0.09 0.33 0.59 -0.40 1.06 0.00 0.00 176.91 178.58 3huw n ASP 83 N -4.95 0.15 -0.05 1.22 5.75 -1.26 0.14 116.55 117.56 3huw n ASP 83 Ca 0.17 0.97 -0.08 0.00 -0.01 0.00 0.00 54.79 55.83 3huw n ASP 83 Cb 0.46 -0.48 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 3huw n ASP 83 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 3huw h LEU 84 N 0.00 -0.02 -1.28 -2.12 3.38 -1.90 -3.22 115.31 110.15 3huw h LEU 84 Ca 0.60 -0.55 0.22 0.00 0.09 0.00 0.00 57.88 58.24 3huw h LEU 84 Cb 1.92 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 42.58 3huw h LEU 84 CO -0.34 0.74 0.62 0.58 0.09 0.00 0.00 178.44 180.13 3huw h VAL 85 N -0.98 0.64 -0.92 1.22 2.07 0.11 0.69 116.25 119.08 3huw h VAL 85 Ca -0.00 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3huw h VAL 85 Cb 0.57 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.34 3huw h VAL 85 CO 0.00 0.10 0.60 -0.33 0.02 0.00 0.00 177.57 177.96 3huw h GLU 86 N 0.54 1.08 0.00 1.57 5.08 -0.07 -0.03 114.58 122.76 3huw h GLU 86 Ca 0.55 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3huw h GLU 86 Cb 1.17 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3huw h GLU 86 CO -0.29 0.72 0.00 1.63 -1.00 0.00 0.00 179.01 180.07 3huw n LYS 87 N -4.46 0.27 -0.06 2.33 4.76 0.24 -1.51 118.16 119.73 3huw n LYS 87 Ca 0.13 0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.56 3huw n LYS 87 Cb 0.13 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 3huw n LYS 87 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 3huw h TYR 88 N 0.00 0.00 -0.99 2.13 3.20 -0.52 -3.26 116.97 117.54 3huw h TYR 88 Ca 0.00 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.09 3huw h TYR 88 Cb 0.32 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 38.47 3huw h TYR 88 CO 0.00 0.00 0.57 -0.07 -1.64 0.00 0.00 178.16 177.02 3huw h LEU 89 N -0.84 0.67 0.45 2.82 3.38 -1.27 -1.06 115.31 119.45 3huw h LEU 89 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3huw h LEU 89 Cb 0.38 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3huw h LEU 89 CO 0.00 0.15 -0.21 0.40 0.09 0.00 0.00 178.44 178.87 3huw h ILE 90 N 0.62 0.53 -1.09 1.22 1.08 -1.46 0.13 117.51 118.55 3huw h ILE 90 Ca 0.61 -0.30 0.30 0.00 -0.39 0.00 0.00 64.86 65.07 3huw h ILE 90 Cb 1.08 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 35.41 3huw h ILE 90 CO -0.45 0.05 0.71 0.03 -0.69 0.00 0.00 178.15 177.81 3huw h ARG 91 N -0.78 0.29 -0.41 2.37 3.08 -1.36 1.00 114.38 118.56 3huw h ARG 91 Ca -0.06 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3huw h ARG 91 Cb 0.54 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3huw h ARG 91 CO 0.10 0.19 -0.17 -0.09 -1.07 0.00 0.00 179.97 178.93 3huw h ARG 92 N 0.30 0.85 -0.09 0.04 2.43 -0.08 -2.96 114.38 114.87 3huw h ARG 92 Ca 0.62 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 3huw h ARG 92 Cb 1.74 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 31.26 3huw h ARG 92 CO -0.28 1.00 0.02 1.96 -1.51 0.00 0.00 179.97 181.16 3huw h GLN 93 N 0.67 0.14 -1.51 0.20 4.20 0.35 -1.92 115.11 117.23 3huw h GLN 93 Ca 0.10 -0.03 0.47 0.00 0.06 0.00 0.00 58.65 59.24 3huw h GLN 93 Cb 0.73 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.39 3huw h GLN 93 CO 0.06 0.33 1.03 -0.91 -0.67 0.00 0.00 178.83 178.67 3huw h ASN 94 N -0.07 0.14 0.72 1.46 2.35 -0.47 0.66 115.58 120.37 3huw h ASN 94 Ca 0.03 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3huw h ASN 94 Cb 0.25 0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.70 3huw h ASN 94 CO 0.00 -0.10 -0.35 1.88 -1.65 0.00 0.00 177.43 177.22 3huw h TYR 95 N 0.05 -0.90 -1.63 1.19 -1.99 -1.18 -2.75 116.97 109.77 3huw h TYR 95 Ca 0.83 -0.02 0.47 0.00 2.00 0.00 0.00 58.73 62.01 3huw h TYR 95 Cb 2.91 0.30 -0.07 0.00 2.00 0.00 0.00 36.73 41.87 3huw h TYR 95 CO -0.00 -0.54 1.17 0.39 -0.00 0.00 0.00 178.16 179.18 3huw n GLU 96 N -5.47 -0.00 -0.45 4.88 1.02 0.23 0.77 120.64 121.62 3huw n GLU 96 Ca -0.13 0.89 0.11 0.00 -0.02 0.00 0.00 57.16 58.01 3huw n GLU 96 Cb 0.40 -2.06 0.33 0.00 -0.02 0.00 0.00 31.44 30.09 3huw n GLU 96 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3huw n SER 97 N -3.59 4.20 -0.61 1.62 3.41 -1.04 -4.17 113.62 113.44 3huw n SER 97 Ca 0.37 -2.15 0.09 0.00 -0.26 0.00 0.00 58.87 56.92 3huw n SER 97 Cb 1.66 -0.51 0.04 0.00 -0.26 0.00 0.00 64.21 65.14 3huw n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3huw n LEU 98 N 1.44 2.23 0.00 1.04 4.77 0.23 -4.96 117.00 121.75 3huw n LEU 98 Ca 0.25 -0.90 -0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3huw n LEU 98 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 3huw n LEU 98 CO 0.19 0.40 0.01 -1.20 -1.33 0.00 0.00 177.39 175.45 3huw n SER 99 N 0.58 -0.47 -3.07 -1.43 7.64 -1.25 -5.05 113.62 110.57 3huw n SER 99 Ca 0.10 -0.77 -0.16 0.00 1.01 0.00 0.00 58.87 59.04 3huw n SER 99 Cb 0.43 -0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 3huw n SER 99 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3huw n LYS 100 N -1.27 1.00 0.00 1.43 5.02 -1.26 -5.15 118.16 117.93 3huw n LYS 100 Ca 0.00 -3.18 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 3huw n LYS 100 Cb 0.01 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 3huw n LYS 100 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75