#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw n PHE 6 N 0.00 0.00 0.00 2.11 3.01 -1.26 -4.99 117.46 116.32 3huw n PHE 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3huw n PHE 6 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3huw n PHE 6 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3huw n GLU 7 N 0.00 0.00 -0.19 -1.08 4.07 0.28 -4.88 120.64 118.84 3huw n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3huw n GLU 7 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3huw n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3huw n GLU 8 N 0.00 0.00 -3.27 5.31 2.13 -1.23 -4.89 120.64 118.69 3huw n GLU 8 Ca 0.00 0.19 -0.16 0.00 0.66 0.00 0.00 57.16 57.85 3huw n GLU 8 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 3huw n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3huw s LYS 9 N -3.21 0.76 -0.45 5.31 2.20 -1.12 -4.99 119.74 118.25 3huw s LYS 9 Ca 0.00 -1.10 -0.45 0.00 -0.36 0.00 0.00 55.97 54.07 3huw s LYS 9 Cb 0.00 -0.71 -0.19 0.00 -1.51 0.00 0.00 37.83 35.42 3huw s LYS 9 CO 0.00 -1.25 1.71 -0.12 -0.36 0.00 0.00 175.35 175.32 3huw n MET 10 N 3.80 0.28 -0.05 4.03 0.00 -1.26 -3.55 117.12 120.37 3huw n MET 10 Ca 0.16 0.10 -0.02 0.00 -0.00 0.00 0.00 57.70 57.94 3huw n MET 10 Cb 0.48 -1.66 -0.01 0.00 0.00 0.00 0.00 33.22 32.03 3huw n MET 10 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 3huw h ILE 11 N 5.32 0.00 -3.30 1.12 2.04 0.83 -3.48 117.51 120.05 3huw h ILE 11 Ca -0.40 -0.73 -0.58 0.00 1.00 0.00 0.00 64.86 64.15 3huw h ILE 11 Cb 1.36 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.26 3huw h ILE 11 CO 0.99 0.00 -0.80 -0.22 0.00 0.00 0.00 178.15 178.12 3huw s LEU 12 N -7.26 2.43 0.01 1.44 1.98 -0.95 -4.94 118.68 111.39 3huw s LEU 12 Ca -0.06 -0.85 -0.12 0.00 -2.89 0.00 0.00 54.13 50.21 3huw s LEU 12 Cb 0.01 -0.96 0.01 0.00 0.66 0.00 0.00 46.19 45.91 3huw s LEU 12 CO 0.09 0.03 0.25 -0.63 -1.89 0.00 0.00 176.35 174.20 3huw s ILE 13 N -1.84 0.08 0.27 6.68 1.01 -1.26 0.41 121.20 126.55 3huw s ILE 13 Ca 0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 3huw s ILE 13 Cb -0.07 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.78 3huw s ILE 13 CO 0.08 -0.34 0.52 -2.11 0.00 0.00 0.00 174.94 173.08 3huw n ARG 14 N 1.13 0.75 -3.15 2.79 1.85 -0.82 -4.97 116.66 114.24 3huw n ARG 14 Ca -0.21 -1.61 -0.22 0.00 -1.00 0.00 0.00 57.85 54.81 3huw n ARG 14 Cb 0.57 1.92 -0.04 0.00 -1.05 0.00 0.00 32.46 33.86 3huw n ARG 14 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3huw n ARG 15 N -0.38 1.60 -1.82 2.89 0.63 -1.26 -2.77 116.66 115.56 3huw n ARG 15 Ca -0.05 -3.82 -0.20 0.00 -0.92 0.00 0.00 57.85 52.86 3huw n ARG 15 Cb 0.41 -1.80 -0.07 0.00 0.45 0.00 0.00 32.46 31.46 3huw n ARG 15 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3huw s THR 16 N -2.71 3.24 0.39 5.15 -1.32 -1.07 -4.69 115.64 114.64 3huw s THR 16 Ca 0.41 -0.28 -0.15 0.00 -1.21 0.00 0.00 61.69 60.47 3huw s THR 16 Cb 0.29 -3.75 -0.08 0.00 -1.51 0.00 0.00 72.50 67.44 3huw s THR 16 CO -0.09 -0.49 0.81 0.00 -2.21 0.00 0.00 174.62 172.64 3huw s ALA 17 N 12.99 3.25 0.00 11.08 0.00 -1.26 -3.40 121.76 144.42 3huw s ALA 17 Ca 0.79 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3huw s ALA 17 Cb -0.08 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3huw s ALA 17 CO 0.07 0.11 0.00 2.89 0.00 0.00 0.00 175.76 178.83 3huw n ARG 18 N -0.89 3.98 -4.17 0.00 1.85 -0.22 -4.93 116.66 112.28 3huw n ARG 18 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.77 3huw n ARG 18 Cb 0.54 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.85 3huw n ARG 18 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3huw s MET 19 N 3.38 1.27 0.00 2.89 -1.94 -1.26 -3.59 119.30 120.05 3huw s MET 19 Ca 0.00 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 3huw s MET 19 Cb 0.00 0.30 0.00 0.00 2.01 0.00 0.00 34.83 37.14 3huw s MET 19 CO 0.00 -0.43 0.00 0.94 -0.01 0.00 0.00 175.02 175.52 3huw n GLN 20 N -0.30 0.00 -1.63 2.03 0.00 -0.13 -4.80 117.38 112.55 3huw n GLN 20 Ca 0.02 0.00 -0.62 0.00 -0.00 0.00 0.00 57.00 56.40 3huw n GLN 20 Cb 0.65 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.80 3huw n GLN 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3huw n ALA 21 N -0.24 -0.52 0.00 1.69 0.00 -1.26 0.61 120.51 120.80 3huw n ALA 21 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3huw n ALA 21 Cb 0.00 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.35 3huw n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huw n GLY 22 N 4.85 1.46 0.00 0.00 0.00 -1.26 -5.03 105.19 105.21 3huw n GLY 22 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3huw n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 23 N -0.14 0.03 3.66 -0.02 0.00 0.20 -5.11 105.19 103.81 3huw n GLY 23 Ca 0.00 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 3huw n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3huw s ARG 24 N -2.00 3.64 -0.22 1.61 1.70 -1.26 -0.95 118.95 121.47 3huw s ARG 24 Ca 0.00 -0.35 -0.02 0.00 -0.47 0.00 0.00 55.73 54.90 3huw s ARG 24 Cb 0.00 -3.08 0.01 0.00 -0.57 0.00 0.00 34.95 31.32 3huw s ARG 24 CO 0.00 0.44 -0.10 1.03 -1.08 0.00 0.00 175.30 175.59 3huw s ARG 25 N -0.12 3.06 0.25 3.89 0.52 -1.24 -4.95 118.95 120.36 3huw s ARG 25 Ca 0.06 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 3huw s ARG 25 Cb -0.12 -2.86 -0.08 0.00 0.52 0.00 0.00 34.95 32.40 3huw s ARG 25 CO 0.01 -0.27 0.63 -0.06 0.02 0.00 0.00 175.30 175.63 3huw s PHE 26 N 1.36 3.47 0.16 -0.53 0.40 -1.26 -1.05 117.98 120.53 3huw s PHE 26 Ca 0.03 1.09 0.06 0.00 -0.60 0.00 0.00 56.93 57.51 3huw s PHE 26 Cb -0.15 -2.42 -0.04 0.00 0.51 0.00 0.00 43.02 40.92 3huw s PHE 26 CO -0.07 0.25 -0.12 0.50 0.70 0.00 0.00 175.22 176.48 3huw s ARG 27 N -2.62 1.13 -0.05 0.44 3.52 -1.22 -4.89 118.95 115.26 3huw s ARG 27 Ca 0.47 -1.45 0.04 0.00 -0.13 0.00 0.00 55.73 54.66 3huw s ARG 27 Cb -0.12 -0.81 -0.00 0.00 -1.56 0.00 0.00 34.95 32.45 3huw s ARG 27 CO 0.19 0.12 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.58 3huw s PHE 28 N -3.01 1.70 0.17 5.12 0.40 -0.65 -2.59 117.98 119.12 3huw s PHE 28 Ca 0.17 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 56.05 3huw s PHE 28 Cb 0.00 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 3huw s PHE 28 CO 0.03 -0.19 0.03 0.20 0.70 0.00 0.00 175.22 175.98 3huw s GLY 29 N 0.15 1.72 -0.06 4.36 0.00 -1.11 0.58 107.32 112.96 3huw s GLY 29 Ca -0.06 -1.34 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 3huw s GLY 29 CO 0.03 -1.35 0.23 0.00 0.00 0.00 0.00 173.10 172.01 3huw s ALA 30 N -1.75 -0.58 -0.37 3.20 0.00 0.18 -1.95 121.76 120.49 3huw s ALA 30 Ca 0.28 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3huw s ALA 30 Cb -0.09 -0.24 0.11 0.00 0.00 0.00 0.00 23.12 22.90 3huw s ALA 30 CO 0.20 -0.15 0.14 -1.17 0.00 0.00 0.00 175.76 174.77 3huw s LEU 31 N -0.35 3.29 -0.05 0.00 1.98 0.17 -1.35 118.68 122.37 3huw s LEU 31 Ca -0.05 -2.18 0.01 0.00 -2.89 0.00 0.00 54.13 49.02 3huw s LEU 31 Cb -0.03 -1.21 -0.03 0.00 0.66 0.00 0.00 46.19 45.58 3huw s LEU 31 CO 0.01 -0.35 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.38 3huw s VAL 32 N 0.89 3.81 -0.45 1.68 1.01 -1.09 0.14 120.40 126.40 3huw s VAL 32 Ca 0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.42 3huw s VAL 32 Cb -0.20 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.62 3huw s VAL 32 CO -0.11 0.54 0.43 -0.69 0.00 0.00 0.00 175.10 175.27 3huw s VAL 33 N -0.88 5.12 -0.45 2.92 1.01 -1.23 -2.56 120.40 124.32 3huw s VAL 33 Ca 0.14 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 3huw s VAL 33 Cb -0.11 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.22 3huw s VAL 33 CO 0.04 -0.51 0.50 -0.69 0.00 0.00 0.00 175.10 174.44 3huw s VAL 34 N 2.00 5.02 0.29 2.92 1.01 0.46 -2.78 120.40 129.34 3huw s VAL 34 Ca 0.09 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3huw s VAL 34 Cb -0.20 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.03 3huw s VAL 34 CO 0.11 -0.57 0.17 0.61 0.00 0.00 0.00 175.10 175.43 3huw n GLY 35 N 5.13 3.26 0.00 4.51 0.00 -1.26 -0.30 105.19 116.54 3huw n GLY 35 Ca -0.07 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3huw n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3huw n ASP 36 N -1.80 0.31 -1.64 1.61 3.85 -1.02 0.99 116.55 118.85 3huw n ASP 36 Ca 0.01 -0.93 -0.19 0.00 -0.71 0.00 0.00 54.79 52.98 3huw n ASP 36 Cb 0.49 0.03 -0.06 0.00 -1.35 0.00 0.00 41.12 40.23 3huw n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3huw n ARG 37 N -0.03 -1.35 0.00 0.11 1.74 -0.96 -4.82 116.66 111.34 3huw n ARG 37 Ca 0.00 1.08 0.00 0.00 -0.77 0.00 0.00 57.85 58.16 3huw n ARG 37 Cb 0.15 -5.45 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 3huw n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3huw n GLN 38 N -2.56 2.21 0.00 5.56 1.13 -1.19 -4.28 117.38 118.26 3huw n GLN 38 Ca -0.20 -0.25 0.00 0.00 -1.94 0.00 0.00 57.00 54.61 3huw n GLN 38 Cb 0.63 -0.73 0.00 0.00 0.11 0.00 0.00 30.24 30.25 3huw n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3huw n GLY 39 N 0.39 0.70 3.31 1.08 0.00 0.16 -4.95 105.19 105.87 3huw n GLY 39 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3huw n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huw s ARG 40 N 0.00 2.49 0.20 1.61 0.52 -1.24 0.12 118.95 122.65 3huw s ARG 40 Ca 0.00 -0.87 -0.20 0.00 -0.52 0.00 0.00 55.73 54.14 3huw s ARG 40 Cb 0.00 -2.19 0.04 0.00 0.52 0.00 0.00 34.95 33.32 3huw s ARG 40 CO 0.00 0.44 0.58 0.08 0.02 0.00 0.00 175.30 176.42 3huw s VAL 41 N -0.31 0.01 -0.07 3.52 1.01 -0.69 -2.93 120.40 120.94 3huw s VAL 41 Ca 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3huw s VAL 41 Cb -0.13 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.84 3huw s VAL 41 CO 0.02 -0.07 0.34 -0.83 0.00 0.00 0.00 175.10 174.57 3huw s GLY 42 N -2.84 -0.22 -0.34 4.51 0.00 0.59 0.27 107.32 109.30 3huw s GLY 42 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.47 3huw s GLY 42 CO -0.05 0.51 0.06 -2.27 0.00 0.00 0.00 173.10 171.35 3huw s LEU 43 N -0.58 4.52 -0.12 0.66 2.96 -1.23 -0.40 118.68 124.50 3huw s LEU 43 Ca -0.07 -1.80 -0.06 0.00 -0.22 0.00 0.00 54.13 51.98 3huw s LEU 43 Cb -0.04 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3huw s LEU 43 CO 0.03 -0.37 0.10 -0.83 -1.32 0.00 0.00 176.35 173.95 3huw s GLY 44 N 1.29 2.07 -0.34 7.98 0.00 -1.06 -4.60 107.32 112.66 3huw s GLY 44 Ca 0.03 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.09 3huw s GLY 44 CO -0.05 -0.39 0.06 -0.12 0.00 0.00 0.00 173.10 172.60 3huw s PHE 45 N -0.90 3.67 0.01 1.90 2.19 -1.26 -2.66 117.98 120.93 3huw s PHE 45 Ca 0.14 -2.81 0.01 0.00 0.33 0.00 0.00 56.93 54.60 3huw s PHE 45 Cb -0.12 -2.86 -0.04 0.00 -1.31 0.00 0.00 43.02 38.70 3huw s PHE 45 CO 0.03 -0.94 0.04 0.20 1.83 0.00 0.00 175.22 176.38 3huw s GLY 46 N 1.09 1.95 -0.24 13.12 0.00 -0.45 -4.84 107.32 117.95 3huw s GLY 46 Ca 0.08 -0.93 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 3huw s GLY 46 CO -0.07 -0.82 0.04 0.54 0.00 0.00 0.00 173.10 172.79 3huw s LYS 47 N -1.74 0.85 0.07 2.90 1.02 -1.25 0.48 119.74 122.08 3huw s LYS 47 Ca 0.22 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.53 3huw s LYS 47 Cb -0.12 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 35.00 3huw s LYS 47 CO 0.13 -0.74 -0.14 0.00 -0.92 0.00 0.00 175.35 173.68 3huw s ALA 48 N 1.70 1.17 -0.63 5.17 0.00 0.20 -4.85 121.76 124.51 3huw s ALA 48 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3huw s ALA 48 Cb -0.17 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3huw s ALA 48 CO -0.13 0.17 0.42 -2.30 0.00 0.00 0.00 175.76 173.92 3huw n PRO 49 N 1.28 0.00 -3.64 0.00 -0.02 -1.26 -1.63 135.00 129.73 3huw n PRO 49 Ca -0.21 0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.26 3huw n PRO 49 Cb 0.54 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 32.32 3huw n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3huw s GLU 50 N -1.84 0.65 0.04 -0.52 2.56 -1.26 -4.73 118.70 113.59 3huw s GLU 50 Ca 0.00 0.89 -0.07 0.00 0.00 0.00 0.00 54.97 55.78 3huw s GLU 50 Cb 0.00 0.26 -0.02 0.00 2.00 0.00 0.00 34.13 36.37 3huw s GLU 50 CO 0.00 -0.10 0.63 0.28 -0.56 0.00 0.00 175.26 175.51 3huw n VAL 51 N 3.06 -0.16 -0.01 3.70 0.31 -1.26 -1.27 118.33 122.69 3huw n VAL 51 Ca -0.16 0.97 -0.10 0.00 -0.01 0.00 0.00 64.34 65.05 3huw n VAL 51 Cb 0.56 -1.24 -0.06 0.00 -0.91 0.00 0.00 33.84 32.19 3huw n VAL 51 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3huw h PRO 52 N 0.00 -0.35 -0.85 5.55 0.11 -1.98 0.22 132.00 134.70 3huw h PRO 52 Ca 0.04 0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.25 3huw h PRO 52 Cb 0.10 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 31.18 3huw h PRO 52 CO -0.22 -0.23 -0.50 1.28 -0.21 0.00 0.00 178.00 178.11 3huw n LEU 53 N -4.37 -0.90 0.08 2.35 4.32 -0.40 0.54 117.00 118.63 3huw n LEU 53 Ca -0.04 1.59 -0.08 0.00 -0.02 0.00 0.00 56.01 57.46 3huw n LEU 53 Cb 0.24 -0.24 -0.05 0.00 -1.62 0.00 0.00 43.42 41.75 3huw n LEU 53 CO 0.05 -1.27 0.51 0.00 -1.22 0.00 0.00 177.39 175.46 3huw h ALA 54 N 0.34 -0.83 -1.12 -1.18 0.00 -0.83 0.75 119.26 116.40 3huw h ALA 54 Ca 0.14 -0.07 0.38 0.00 0.00 0.00 0.00 54.91 55.35 3huw h ALA 54 Cb 0.35 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 18.61 3huw h ALA 54 CO -0.80 -0.87 0.67 0.28 0.00 0.00 0.00 179.25 178.53 3huw h VAL 55 N -0.40 0.20 0.17 0.00 2.07 0.76 2.92 116.25 121.97 3huw h VAL 55 Ca -0.01 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3huw h VAL 55 Cb 0.39 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3huw h VAL 55 CO -0.10 0.03 -0.08 -0.61 0.02 0.00 0.00 177.57 176.83 3huw h GLN 56 N 0.19 -0.22 -0.37 1.57 -0.00 0.17 -2.65 115.11 113.79 3huw h GLN 56 Ca 0.77 0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 59.44 3huw h GLN 56 Cb 2.09 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 29.60 3huw h GLN 56 CO -0.54 0.09 0.22 -0.22 0.00 0.00 0.00 178.83 178.38 3huw h LYS 57 N -0.55 0.51 0.03 1.69 3.64 0.92 -2.67 116.57 120.14 3huw h LYS 57 Ca -0.02 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3huw h LYS 57 Cb 0.41 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3huw h LYS 57 CO 0.04 0.39 -0.28 0.00 -2.27 0.00 0.00 179.45 177.33 3huw h ALA 58 N 1.09 -0.40 -0.04 5.00 0.00 0.43 -1.99 119.26 123.34 3huw h ALA 58 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3huw h ALA 58 Cb 0.01 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3huw h ALA 58 CO -0.02 -0.79 -0.25 0.78 0.00 0.00 0.00 179.25 178.97 3huw h GLY 59 N -0.44 -0.34 -0.89 0.00 0.00 -1.44 -0.77 103.07 99.19 3huw h GLY 59 Ca 0.06 0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.79 3huw h GLY 59 CO -0.22 -0.20 -0.44 2.98 0.00 0.00 0.00 176.54 178.65 3huw n TYR 60 N -5.37 -0.19 -0.29 5.60 9.36 -0.93 0.18 117.16 125.52 3huw n TYR 60 Ca -0.04 1.11 0.02 0.00 3.32 0.00 0.00 57.90 62.31 3huw n TYR 60 Cb 0.28 -0.70 0.23 0.00 -0.63 0.00 0.00 39.34 38.52 3huw n TYR 60 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3huw h TYR 61 N 0.00 1.05 -0.51 2.98 0.05 -0.66 -1.13 116.97 118.75 3huw h TYR 61 Ca 0.22 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.04 3huw h TYR 61 Cb 0.45 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 3huw h TYR 61 CO -0.86 0.59 0.32 0.00 -1.05 0.00 0.00 178.16 177.17 3huw h ALA 62 N 1.50 0.65 0.39 3.88 0.00 0.34 -1.66 119.26 124.35 3huw h ALA 62 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3huw h ALA 62 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3huw h ALA 62 CO -0.11 0.06 -0.30 0.00 0.00 0.00 0.00 179.25 178.89 3huw h ARG 63 N 0.66 -0.66 -0.95 0.00 3.08 0.23 -0.60 114.38 116.14 3huw h ARG 63 Ca 0.19 0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.56 3huw h ARG 63 Cb -0.04 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3huw h ARG 63 CO -0.06 -0.44 1.07 -0.09 -1.07 0.00 0.00 179.97 179.38 3huw h ARG 64 N -0.68 0.00 -3.73 0.04 9.65 -0.49 -3.31 114.38 115.85 3huw h ARG 64 Ca -0.03 0.00 -0.55 0.00 -1.10 0.00 0.00 59.98 58.29 3huw h ARG 64 Cb 0.59 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 28.78 3huw h ARG 64 CO -0.00 0.00 -0.77 1.21 2.80 0.00 0.00 179.97 183.21 3huw s ASN 65 N -3.86 3.41 0.37 -3.80 2.47 -0.23 -5.09 114.94 108.21 3huw s ASN 65 Ca -0.03 -1.11 0.04 0.00 0.42 0.00 0.00 52.86 52.17 3huw s ASN 65 Cb 0.15 -0.80 -0.05 0.00 -1.45 0.00 0.00 41.25 39.10 3huw s ASN 65 CO 0.50 -0.32 0.08 -0.04 -3.72 0.00 0.00 177.10 173.60 3huw s MET 66 N 1.69 1.78 -0.10 0.43 -1.94 -1.25 -3.52 119.30 116.39 3huw s MET 66 Ca 0.01 -2.03 -0.15 0.00 -1.71 0.00 0.00 55.69 51.80 3huw s MET 66 Cb -0.18 -0.85 0.04 0.00 2.01 0.00 0.00 34.83 35.85 3huw s MET 66 CO -0.12 -0.29 0.39 0.54 -0.01 0.00 0.00 175.02 175.53 3huw s VAL 67 N -3.23 0.02 -0.68 -6.03 0.11 0.77 -4.87 120.40 106.49 3huw s VAL 67 Ca 0.30 -0.16 -0.23 0.00 -2.93 0.00 0.00 61.98 58.97 3huw s VAL 67 Cb 0.06 -0.60 0.07 0.00 -1.53 0.00 0.00 36.38 34.37 3huw s VAL 67 CO 0.14 -0.09 1.02 -1.83 -3.33 0.00 0.00 175.10 171.02 3huw s GLU 68 N -0.37 3.14 -0.50 1.54 4.04 -1.25 -1.71 118.70 123.58 3huw s GLU 68 Ca -0.05 -0.77 -0.23 0.00 0.04 0.00 0.00 54.97 53.95 3huw s GLU 68 Cb -0.03 -4.25 0.04 0.00 0.02 0.00 0.00 34.13 29.90 3huw s GLU 68 CO 0.02 -1.87 0.86 0.08 -1.84 0.00 0.00 175.26 172.51 3huw s VAL 69 N 4.29 4.53 0.00 1.83 1.01 0.33 -4.91 120.40 127.48 3huw s VAL 69 Ca 0.25 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3huw s VAL 69 Cb -0.15 -4.44 0.00 0.00 0.00 0.00 0.00 36.38 31.79 3huw s VAL 69 CO 0.10 -0.93 0.00 -2.65 0.00 0.00 0.00 175.10 171.63 3huw n PRO 70 N 7.07 0.00 -1.61 2.72 -0.02 -1.26 -4.71 135.00 137.19 3huw n PRO 70 Ca 0.02 0.00 -0.63 0.00 -2.02 0.00 0.00 63.50 60.87 3huw n PRO 70 Cb 0.48 -1.47 -0.09 0.00 -0.02 0.00 0.00 33.50 32.39 3huw n PRO 70 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3huw n LEU 71 N 1.96 0.97 -4.13 2.45 4.77 -1.26 -4.53 117.00 117.23 3huw n LEU 71 Ca 0.00 1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 56.66 3huw n LEU 71 Cb 0.00 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 3huw n LEU 71 CO 0.00 -0.93 1.37 0.00 -1.33 0.00 0.00 177.39 176.50 3huw n GLN 72 N 3.42 3.80 -2.33 3.23 1.13 0.49 -4.73 117.38 122.38 3huw n GLN 72 Ca 0.28 -4.08 -0.01 0.00 -1.94 0.00 0.00 57.00 51.25 3huw n GLN 72 Cb -0.04 -2.76 -0.01 0.00 0.11 0.00 0.00 30.24 27.55 3huw n GLN 72 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3huw n ASN 73 N 3.29 -7.89 0.00 1.08 6.94 -1.26 -3.72 115.26 113.70 3huw n ASN 73 Ca 0.32 1.71 0.00 0.00 -0.02 0.00 0.00 54.58 56.59 3huw n ASN 73 Cb 0.37 -5.04 0.00 0.00 -2.36 0.00 0.00 39.78 32.75 3huw n ASN 73 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3huw n GLY 74 N 1.73 0.00 3.49 4.83 0.00 -1.26 -4.71 105.19 109.27 3huw n GLY 74 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 3huw n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3huw s THR 75 N 0.00 0.02 0.55 2.61 -1.32 -1.24 0.23 115.64 116.48 3huw s THR 75 Ca 0.00 -1.36 -0.16 0.00 -1.21 0.00 0.00 61.69 58.96 3huw s THR 75 Cb 0.00 -2.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.88 3huw s THR 75 CO 0.00 -0.09 1.01 -0.51 -2.21 0.00 0.00 174.62 172.81 3huw s ILE 76 N -4.00 4.41 -0.01 5.08 2.07 -1.26 0.18 121.20 127.68 3huw s ILE 76 Ca 0.21 1.10 -0.05 0.00 -1.41 0.00 0.00 60.65 60.49 3huw s ILE 76 Cb 0.01 -3.67 -0.03 0.00 0.13 0.00 0.00 42.46 38.90 3huw s ILE 76 CO 0.05 -0.72 0.56 1.55 -1.91 0.00 0.00 174.94 174.48 3huw h PRO 77 N 0.64 -0.17 -5.25 3.50 0.13 -1.89 -3.42 132.00 125.53 3huw h PRO 77 Ca -0.46 0.01 -0.44 0.00 -0.87 0.00 0.00 66.00 64.24 3huw h PRO 77 Cb 1.19 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 3huw h PRO 77 CO 0.61 -0.11 -0.65 -3.38 -0.23 0.00 0.00 178.00 174.23 3huw s HIS 78 N -2.43 1.77 0.01 1.56 -3.43 -1.26 -4.90 115.29 106.61 3huw s HIS 78 Ca -0.03 -0.86 -0.14 0.00 -0.80 0.00 0.00 55.06 53.24 3huw s HIS 78 Cb 0.00 -1.05 -0.06 0.00 -1.43 0.00 0.00 32.58 30.04 3huw s HIS 78 CO 0.08 0.07 0.40 -1.83 -2.00 0.00 0.00 174.74 171.46 3huw s GLU 79 N -3.83 3.88 0.22 -0.38 4.04 -1.26 -4.71 118.70 116.65 3huw s GLU 79 Ca 0.31 0.36 0.08 0.00 0.04 0.00 0.00 54.97 55.75 3huw s GLU 79 Cb 0.06 -3.17 -0.05 0.00 0.02 0.00 0.00 34.13 30.99 3huw s GLU 79 CO 0.11 0.67 -0.14 0.96 -1.84 0.00 0.00 175.26 175.02 3huw s ILE 80 N -1.14 1.80 -0.41 1.83 -4.36 -1.22 -4.99 121.20 112.72 3huw s ILE 80 Ca 0.25 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 3huw s ILE 80 Cb -0.16 -2.11 0.14 0.00 1.25 0.00 0.00 42.46 41.58 3huw s ILE 80 CO 0.14 -0.55 0.25 -1.61 0.24 0.00 0.00 174.94 173.41 3huw s GLU 81 N -3.64 0.97 0.40 0.37 2.02 -1.26 -1.35 118.70 116.21 3huw s GLU 81 Ca 0.24 -1.78 -0.07 0.00 0.02 0.00 0.00 54.97 53.38 3huw s GLU 81 Cb -0.01 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 3huw s GLU 81 CO 0.08 -1.21 0.71 0.08 0.02 0.00 0.00 175.26 174.94 3huw s VAL 82 N 0.56 4.91 -0.39 2.63 1.01 -0.94 -4.91 120.40 123.26 3huw s VAL 82 Ca 0.20 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3huw s VAL 82 Cb -0.20 -3.79 0.16 0.00 0.00 0.00 0.00 36.38 32.55 3huw s VAL 82 CO -0.02 -0.59 0.29 -1.61 0.00 0.00 0.00 175.10 173.17 3huw s GLU 83 N -4.12 0.78 -0.11 2.72 2.02 -1.26 -1.39 118.70 117.34 3huw s GLU 83 Ca 0.47 -1.81 -0.25 0.00 0.02 0.00 0.00 54.97 53.41 3huw s GLU 83 Cb -0.10 -1.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.70 3huw s GLU 83 CO 0.36 -1.31 0.79 0.12 0.02 0.00 0.00 175.26 175.24 3huw s PHE 84 N 0.46 3.50 0.00 1.61 5.36 -0.72 -4.79 117.98 123.39 3huw s PHE 84 Ca 0.27 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.52 3huw s PHE 84 Cb -0.07 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 3huw s PHE 84 CO -0.11 -0.09 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 3huw n GLY 85 N 3.29 3.85 0.00 13.12 0.00 -1.26 -1.97 105.19 122.22 3huw n GLY 85 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 3huw n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw n ALA 86 N 12.16 2.78 -2.12 4.61 0.00 -1.26 -4.96 120.51 131.72 3huw n ALA 86 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.69 3huw n ALA 86 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 3huw n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3huw s SER 87 N -3.25 7.21 -0.02 0.00 0.01 -0.83 -3.18 113.70 113.63 3huw s SER 87 Ca -0.03 2.10 0.03 0.00 1.31 0.00 0.00 55.95 59.36 3huw s SER 87 Cb 0.09 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 3huw s SER 87 CO 0.56 -0.28 -0.10 -0.75 0.41 0.00 0.00 173.24 173.07 3huw s LYS 88 N -0.13 0.97 -0.03 12.44 2.20 -0.58 -1.76 119.74 132.85 3huw s LYS 88 Ca 0.51 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 3huw s LYS 88 Cb -0.30 -0.92 0.03 0.00 -1.51 0.00 0.00 37.83 35.13 3huw s LYS 88 CO 0.34 0.18 -0.00 -1.50 -0.36 0.00 0.00 175.35 174.01 3huw s ILE 89 N -0.02 0.21 -0.17 5.43 2.07 -0.49 0.87 121.20 129.10 3huw s ILE 89 Ca 0.00 0.09 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 3huw s ILE 89 Cb -0.07 -0.31 -0.03 0.00 0.13 0.00 0.00 42.46 42.18 3huw s ILE 89 CO 0.00 0.16 0.02 0.68 -1.91 0.00 0.00 174.94 173.89 3huw s VAL 90 N 1.15 4.39 -0.10 4.00 -7.23 -0.78 -2.22 120.40 119.62 3huw s VAL 90 Ca -0.08 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.88 3huw s VAL 90 Cb -0.13 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.81 3huw s VAL 90 CO -0.02 0.47 0.03 -0.76 -0.31 0.00 0.00 175.10 174.51 3huw s LEU 91 N 0.38 3.74 -0.20 1.32 2.01 -0.46 -1.39 118.68 124.09 3huw s LEU 91 Ca -0.00 0.20 -0.02 0.00 0.01 0.00 0.00 54.13 54.32 3huw s LEU 91 Cb -0.13 -1.87 0.06 0.00 0.01 0.00 0.00 46.19 44.26 3huw s LEU 91 CO 0.01 0.38 0.03 -0.75 1.01 0.00 0.00 176.35 177.03 3huw s LYS 92 N -0.85 0.77 0.23 1.70 2.20 0.30 -3.38 119.74 120.71 3huw s LYS 92 Ca 0.13 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 3huw s LYS 92 Cb -0.12 -2.17 -0.15 0.00 -1.51 0.00 0.00 37.83 33.88 3huw s LYS 92 CO 0.03 -0.64 1.03 -0.35 -0.36 0.00 0.00 175.35 175.05 3huw n PRO 93 N 5.00 1.13 -4.41 4.03 -0.04 -1.26 -1.63 135.00 137.81 3huw n PRO 93 Ca -0.09 0.40 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 3huw n PRO 93 Cb 0.47 -1.79 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 3huw n PRO 93 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3huw s ALA 94 N -0.66 2.47 1.13 0.55 0.00 -1.26 -4.80 121.76 119.20 3huw s ALA 94 Ca 0.66 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 3huw s ALA 94 Cb -0.79 -0.29 0.12 0.00 0.00 0.00 0.00 23.12 22.16 3huw s ALA 94 CO 0.56 0.36 0.34 0.00 0.00 0.00 0.00 175.76 177.02 3huw n ALA 95 N 0.09 -1.54 -1.94 0.00 0.00 -1.26 -4.84 120.51 111.01 3huw n ALA 95 Ca -0.11 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 3huw n ALA 95 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3huw n ALA 95 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3huw s PRO 96 N -3.78 4.21 -1.21 0.00 0.02 -1.26 -3.62 135.00 129.35 3huw s PRO 96 Ca 0.24 2.32 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 3huw s PRO 96 Cb -0.03 -3.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 3huw s PRO 96 CO 0.19 -0.67 0.73 0.41 -0.33 0.00 0.00 177.00 177.33 3huw n GLY 97 N 3.88 -0.69 0.10 0.52 0.00 -1.26 -4.91 105.19 102.82 3huw n GLY 97 Ca 0.15 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 3huw n GLY 97 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3huw n THR 98 N -4.11 1.53 0.00 2.61 5.66 -1.24 -5.07 114.28 113.66 3huw n THR 98 Ca -0.18 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 60.03 3huw n THR 98 Cb 0.63 -0.91 0.00 0.00 -1.55 0.00 0.00 70.33 68.51 3huw n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3huw n GLY 99 N 1.75 2.03 3.55 1.09 0.00 -1.26 -4.88 105.19 107.47 3huw n GLY 99 Ca -0.28 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 3huw n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 100 N -1.56 3.56 -0.69 1.61 1.01 -0.88 -1.99 120.40 121.45 3huw s VAL 100 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3huw s VAL 100 Cb 0.00 -4.41 0.17 0.00 0.00 0.00 0.00 36.38 32.14 3huw s VAL 100 CO 0.00 -1.36 0.67 0.27 0.00 0.00 0.00 175.10 174.68 3huw s ILE 101 N 7.62 5.34 0.29 2.22 -0.00 0.63 -4.88 121.20 132.41 3huw s ILE 101 Ca 0.54 -1.90 -0.04 0.00 -0.00 0.00 0.00 60.65 59.26 3huw s ILE 101 Cb -0.09 -4.43 0.02 0.00 -0.00 0.00 0.00 42.46 37.96 3huw s ILE 101 CO 0.12 -0.99 0.45 0.00 -0.00 0.00 0.00 174.94 174.51 3huw n ALA 102 N 4.83 -0.56 -1.48 2.27 0.00 -1.26 -2.16 120.51 122.15 3huw n ALA 102 Ca 0.01 -1.22 -0.30 0.00 0.00 0.00 0.00 53.44 51.92 3huw n ALA 102 Cb 0.44 0.98 0.23 0.00 0.00 0.00 0.00 19.45 21.10 3huw n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3huw s GLY 103 N -2.71 1.69 0.00 0.00 0.00 -1.26 -4.82 107.32 100.22 3huw s GLY 103 Ca 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.77 3huw s GLY 103 CO 0.15 -0.28 0.76 0.00 0.00 0.00 0.00 173.10 173.73 3huw n ALA 104 N -4.37 2.27 0.06 3.20 0.00 -1.26 -2.97 120.51 117.44 3huw n ALA 104 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3huw n ALA 104 Cb 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3huw n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3huw n VAL 105 N -0.49 0.61 -0.32 0.00 0.31 -1.26 -4.53 118.33 112.65 3huw n VAL 105 Ca 0.00 0.20 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 3huw n VAL 105 Cb 0.00 -1.22 0.32 0.00 -0.91 0.00 0.00 33.84 32.04 3huw n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3huw h PRO 106 N 0.00 0.78 0.47 5.55 0.13 -1.92 -1.67 132.00 135.34 3huw h PRO 106 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3huw h PRO 106 Cb 0.18 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.14 3huw h PRO 106 CO 0.00 0.52 -0.23 0.07 -0.23 0.00 0.00 178.00 178.13 3huw h ARG 107 N 0.80 -0.61 -0.46 0.86 0.11 -1.85 0.85 114.38 114.08 3huw h ARG 107 Ca 0.50 0.04 0.13 0.00 0.10 0.00 0.00 59.98 60.75 3huw h ARG 107 Cb 0.70 0.14 -0.02 0.00 1.11 0.00 0.00 29.97 31.90 3huw h ARG 107 CO -0.26 -0.31 0.94 0.00 0.10 0.00 0.00 179.97 180.44 3huw h ALA 108 N -0.56 2.32 0.00 0.08 0.00 -1.56 1.38 119.26 120.93 3huw h ALA 108 Ca -0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3huw h ALA 108 Cb 0.59 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3huw h ALA 108 CO 0.11 -1.18 -1.35 -0.89 0.00 0.00 0.00 179.25 175.93 3huw n ILE 109 N -2.99 1.50 -0.13 0.00 5.41 -0.83 -4.18 119.36 118.13 3huw n ILE 109 Ca 0.10 -0.01 0.22 0.00 1.00 0.00 0.00 62.75 64.06 3huw n ILE 109 Cb 1.09 -2.18 0.64 0.00 -0.71 0.00 0.00 39.64 38.49 3huw n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3huw h LEU 110 N -1.00 0.14 0.28 1.39 3.38 0.66 -1.41 115.31 118.76 3huw h LEU 110 Ca -0.25 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3huw h LEU 110 Cb 1.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3huw h LEU 110 CO -0.15 0.06 -0.14 -0.33 0.09 0.00 0.00 178.44 177.97 3huw h GLU 111 N 0.14 -0.36 0.00 1.13 5.08 0.13 -2.58 114.58 118.11 3huw h GLU 111 Ca 0.37 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3huw h GLU 111 Cb 1.26 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.59 3huw h GLU 111 CO -0.06 -0.09 0.00 1.28 -1.00 0.00 0.00 179.01 179.15 3huw n LEU 112 N -5.03 0.00 -0.03 1.33 4.77 -1.01 0.05 117.00 117.07 3huw n LEU 112 Ca -0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 3huw n LEU 112 Cb 0.23 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 3huw n LEU 112 CO 0.20 0.00 0.35 0.00 -1.33 0.00 0.00 177.39 176.61 3huw h ALA 113 N 2.14 -0.00 0.00 -1.18 0.00 -0.87 -2.48 119.26 116.86 3huw h ALA 113 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3huw h ALA 113 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3huw h ALA 113 CO 0.00 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.74 3huw n GLY 114 N 1.35 1.18 3.90 0.00 0.00 0.11 0.36 105.19 112.10 3huw n GLY 114 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 3huw n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huw s VAL 115 N -1.60 3.85 0.06 1.61 1.01 -1.11 -4.54 120.40 119.68 3huw s VAL 115 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 3huw s VAL 115 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 3huw s VAL 115 CO 0.00 -0.63 -0.01 0.41 0.00 0.00 0.00 175.10 174.87 3huw n THR 116 N -2.69 0.86 -4.61 3.92 -1.04 0.62 -4.76 114.28 106.57 3huw n THR 116 Ca 0.05 0.26 -0.26 0.00 -2.04 0.00 0.00 64.05 62.06 3huw n THR 116 Cb 0.57 -1.58 -0.14 0.00 -1.82 0.00 0.00 70.33 67.35 3huw n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3huw s ASP 117 N -5.70 2.61 -0.29 8.00 1.01 -1.19 -2.08 116.67 119.03 3huw s ASP 117 Ca -0.01 -0.57 -0.26 0.00 0.71 0.00 0.00 52.55 52.42 3huw s ASP 117 Cb 0.00 -0.21 0.19 0.00 1.01 0.00 0.00 42.92 43.91 3huw s ASP 117 CO 0.02 0.16 1.41 -0.51 0.21 0.00 0.00 175.17 176.46 3huw s ILE 118 N -0.87 0.00 -0.20 0.77 1.10 -0.84 -4.23 121.20 116.92 3huw s ILE 118 Ca 0.08 0.00 -0.09 0.00 -0.51 0.00 0.00 60.65 60.14 3huw s ILE 118 Cb -0.09 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.47 3huw s ILE 118 CO 0.02 0.00 0.10 -0.76 -2.11 0.00 0.00 174.94 172.19 3huw s LEU 119 N -0.16 3.92 0.05 8.50 1.43 -0.65 -0.27 118.68 131.50 3huw s LEU 119 Ca 0.07 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 3huw s LEU 119 Cb -0.04 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3huw s LEU 119 CO -0.14 0.14 -0.04 0.42 0.23 0.00 0.00 176.35 176.96 3huw s THR 120 N 0.59 0.34 -0.10 5.49 -4.23 -0.92 0.11 115.64 116.93 3huw s THR 120 Ca 0.05 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3huw s THR 120 Cb -0.13 -1.11 0.05 0.00 1.34 0.00 0.00 72.50 72.65 3huw s THR 120 CO 0.01 -0.76 0.20 -0.75 -0.54 0.00 0.00 174.62 172.78 3huw s LYS 121 N -2.96 0.11 0.07 3.99 2.47 -0.49 -4.72 119.74 118.21 3huw s LYS 121 Ca -0.00 0.58 -0.23 0.00 -1.56 0.00 0.00 55.97 54.76 3huw s LYS 121 Cb 0.00 -0.16 -0.06 0.00 -1.46 0.00 0.00 37.83 36.15 3huw s LYS 121 CO -0.05 -0.25 0.70 -1.21 0.16 0.00 0.00 175.35 174.70 3huw s GLU 122 N 1.97 4.43 0.19 4.03 2.02 -1.26 -1.86 118.70 128.22 3huw s GLU 122 Ca -0.02 0.96 0.02 0.00 0.02 0.00 0.00 54.97 55.96 3huw s GLU 122 Cb -0.12 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 3huw s GLU 122 CO -0.07 0.42 0.00 -0.51 0.02 0.00 0.00 175.26 175.13 3huw s LEU 123 N -0.49 2.11 0.00 1.80 1.43 0.25 -4.99 118.68 118.79 3huw s LEU 123 Ca 0.35 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3huw s LEU 123 Cb -0.20 -0.12 0.00 0.00 0.03 0.00 0.00 46.19 45.90 3huw s LEU 123 CO 0.22 -0.56 0.00 0.61 0.23 0.00 0.00 176.35 176.85 3huw n GLY 124 N -0.31 1.07 3.71 -3.19 0.00 -1.26 -1.53 105.19 103.68 3huw n GLY 124 Ca -0.06 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3huw n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3huw n SER 125 N -2.37 3.30 -1.93 1.61 2.88 -1.19 -4.84 113.62 111.07 3huw n SER 125 Ca 0.00 1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 58.49 3huw n SER 125 Cb 0.00 -1.51 0.17 0.00 -0.75 0.00 0.00 64.21 62.13 3huw n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3huw n ARG 126 N 2.14 2.19 -2.08 -1.46 1.74 -1.26 -4.21 116.66 113.73 3huw n ARG 126 Ca 0.10 -3.11 -0.42 0.00 -0.77 0.00 0.00 57.85 53.65 3huw n ARG 126 Cb 0.34 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.66 3huw n ARG 126 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3huw s ASN 127 N -1.75 6.73 0.00 0.55 3.84 -1.26 -4.92 114.94 118.13 3huw s ASN 127 Ca 0.54 2.39 0.00 0.00 0.21 0.00 0.00 52.86 56.00 3huw s ASN 127 Cb 0.46 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 3huw s ASN 127 CO 0.07 -0.75 0.81 -2.65 -2.79 0.00 0.00 177.10 171.79 3huw n PRO 128 N 4.49 0.00 -0.13 0.43 -0.02 -1.26 -0.61 135.00 137.90 3huw n PRO 128 Ca 0.13 0.50 -0.03 0.00 -2.02 0.00 0.00 63.50 62.07 3huw n PRO 128 Cb 0.41 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.55 3huw n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3huw n ILE 129 N -1.73 -0.22 -0.11 4.25 5.41 -1.26 0.26 119.36 125.97 3huw n ILE 129 Ca 0.00 1.26 -0.12 0.00 1.00 0.00 0.00 62.75 64.89 3huw n ILE 129 Cb 0.00 -1.61 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 3huw n ILE 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3huw h ASN 130 N 0.00 -1.59 -1.01 4.38 4.21 -1.94 0.22 115.58 119.85 3huw h ASN 130 Ca 0.05 0.22 0.23 0.00 1.21 0.00 0.00 56.30 58.01 3huw h ASN 130 Cb 0.13 0.67 -0.12 0.00 -1.12 0.00 0.00 38.32 37.88 3huw h ASN 130 CO -0.30 -0.40 0.61 0.40 -1.29 0.00 0.00 177.43 176.45 3huw h ILE 131 N -0.39 0.59 0.00 2.81 1.08 0.23 0.26 117.51 122.09 3huw h ILE 131 Ca 0.10 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3huw h ILE 131 Cb 0.60 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.27 3huw h ILE 131 CO -0.56 0.11 0.00 0.00 -0.69 0.00 0.00 178.15 177.01 3huw n ALA 132 N -2.33 -0.30 -0.21 1.87 0.00 0.81 -1.04 120.51 119.30 3huw n ALA 132 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3huw n ALA 132 Cb 0.70 0.16 0.08 0.00 0.00 0.00 0.00 19.45 20.39 3huw n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3huw h TYR 133 N 0.00 -0.23 -1.08 0.00 -1.99 -0.57 0.28 116.97 113.38 3huw h TYR 133 Ca 0.00 0.05 0.30 0.00 2.00 0.00 0.00 58.73 61.08 3huw h TYR 133 Cb 0.00 0.20 -0.07 0.00 2.00 0.00 0.00 36.73 38.86 3huw h TYR 133 CO -0.15 -0.24 0.74 0.00 -0.00 0.00 0.00 178.16 178.51 3huw h ALA 134 N 1.61 2.66 0.00 3.88 0.00 -0.22 -0.70 119.26 126.49 3huw h ALA 134 Ca 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3huw h ALA 134 Cb 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3huw h ALA 134 CO -0.61 -1.02 -0.00 1.15 0.00 0.00 0.00 179.25 178.77 3huw h THR 135 N 0.19 1.78 0.06 0.00 2.02 0.12 -2.64 112.91 114.44 3huw h THR 135 Ca 0.56 -2.31 0.02 0.00 0.77 0.00 0.00 66.41 65.45 3huw h THR 135 Cb 1.84 3.35 -0.05 0.00 -1.74 0.00 0.00 68.15 71.55 3huw h THR 135 CO -0.15 0.60 -0.49 0.24 0.37 0.00 0.00 175.52 176.08 3huw h MET 136 N -0.99 -0.64 0.00 6.66 2.07 -0.50 0.91 114.93 122.45 3huw h MET 136 Ca -0.00 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3huw h MET 136 Cb 0.98 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.86 3huw h MET 136 CO 0.00 -0.43 0.02 0.39 1.07 0.00 0.00 176.91 177.96 3huw n GLU 137 N -5.24 0.02 0.01 1.72 -0.58 -0.36 -0.81 120.64 115.38 3huw n GLU 137 Ca -0.07 0.50 -0.04 0.00 -0.42 0.00 0.00 57.16 57.12 3huw n GLU 137 Cb 0.38 -1.57 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 3huw n GLU 137 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huw h ALA 138 N 1.93 -0.13 -0.09 0.62 0.00 0.11 -3.31 119.26 118.38 3huw h ALA 138 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3huw h ALA 138 Cb 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3huw h ALA 138 CO 0.00 -0.13 -0.37 -0.07 0.00 0.00 0.00 179.25 178.67 3huw h LEU 139 N -1.02 -1.15 0.00 0.00 3.38 0.12 -0.72 115.31 115.92 3huw h LEU 139 Ca -0.01 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3huw h LEU 139 Cb 0.23 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3huw h LEU 139 CO 0.02 -0.41 0.01 -1.14 0.09 0.00 0.00 178.44 177.01 3huw n ARG 140 N -5.43 0.00 -0.02 1.13 0.63 -0.22 0.12 116.66 112.87 3huw n ARG 140 Ca -0.04 0.01 0.01 0.00 -0.92 0.00 0.00 57.85 56.90 3huw n ARG 140 Cb 0.35 -1.51 0.02 0.00 0.45 0.00 0.00 32.46 31.77 3huw n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3huw n GLN 141 N -0.82 1.86 -2.70 -0.14 6.02 -0.28 -5.00 117.38 116.32 3huw n GLN 141 Ca 0.00 -1.28 -0.39 0.00 -0.01 0.00 0.00 57.00 55.32 3huw n GLN 141 Cb 0.01 -1.03 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 3huw n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3huw s LEU 142 N -0.74 4.52 0.27 1.08 1.43 0.31 -5.05 118.68 120.50 3huw s LEU 142 Ca 0.03 1.98 0.06 0.00 -1.03 0.00 0.00 54.13 55.17 3huw s LEU 142 Cb 0.01 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.43 3huw s LEU 142 CO 0.02 0.01 -0.05 -0.13 0.23 0.00 0.00 176.35 176.43 3huw s ARG 143 N -1.53 1.49 0.01 1.70 1.81 -1.26 -4.97 118.95 116.20 3huw s ARG 143 Ca 0.45 -1.76 0.08 0.00 -1.72 0.00 0.00 55.73 52.78 3huw s ARG 143 Cb -0.25 -1.03 -0.02 0.00 -0.45 0.00 0.00 34.95 33.20 3huw s ARG 143 CO 0.31 0.01 -0.24 0.95 -0.68 0.00 0.00 175.30 175.65 3huw s THR 144 N -3.11 1.92 0.25 0.02 -4.23 -1.26 -4.71 115.64 104.53 3huw s THR 144 Ca 0.29 -1.16 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3huw s THR 144 Cb 0.04 -1.62 0.34 0.00 1.34 0.00 0.00 72.50 72.60 3huw s THR 144 CO 0.11 0.43 1.25 1.17 -0.54 0.00 0.00 174.62 177.05 3huw n LYS 145 N 2.18 -0.06 0.00 3.99 0.00 -1.26 -0.58 118.16 122.42 3huw n LYS 145 Ca -0.16 1.20 0.00 0.00 0.00 0.00 0.00 58.31 59.35 3huw n LYS 145 Cb 0.52 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.65 3huw n LYS 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3huw n ALA 146 N -3.29 0.00 0.15 3.14 0.00 -1.26 -1.62 120.51 117.63 3huw n ALA 146 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.81 3huw n ALA 146 Cb 0.60 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.71 3huw n ALA 146 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3huw h ASP 147 N 0.00 0.00 -0.03 0.00 -0.00 -1.87 0.30 116.42 114.81 3huw h ASP 147 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3huw h ASP 147 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3huw h ASP 147 CO 0.00 0.00 0.02 0.58 -0.00 0.00 0.00 179.24 179.84 3huw h VAL 148 N 0.00 1.04 0.00 4.15 2.07 -0.69 -1.31 116.25 121.51 3huw h VAL 148 Ca 0.16 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3huw h VAL 148 Cb 1.29 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3huw h VAL 148 CO -0.00 0.03 -0.12 -0.33 0.02 0.00 0.00 177.57 177.17 3huw h GLU 149 N -0.00 0.00 0.00 1.57 4.39 0.53 -2.03 114.58 119.04 3huw h GLU 149 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3huw h GLU 149 Cb 0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 3huw h GLU 149 CO -0.00 0.12 -0.02 -0.09 -1.16 0.00 0.00 179.01 177.86 3huw h ARG 150 N 0.00 0.00 0.00 2.33 2.43 -0.41 -1.10 114.38 117.63 3huw h ARG 150 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3huw h ARG 150 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3huw h ARG 150 CO 0.02 0.02 -0.45 1.28 -1.51 0.00 0.00 179.97 179.33 3huw n LEU 151 N -3.45 0.51 -3.49 3.80 4.77 -0.76 -4.16 117.00 114.22 3huw n LEU 151 Ca -0.03 0.19 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 3huw n LEU 151 Cb 0.12 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3huw n LEU 151 CO 0.25 0.03 0.83 0.54 -1.33 0.00 0.00 177.39 177.70 3huw n ARG 152 N -1.75 4.23 0.00 3.23 1.74 -0.42 -4.88 116.66 118.81 3huw n ARG 152 Ca 0.05 -4.70 0.00 0.00 -0.77 0.00 0.00 57.85 52.43 3huw n ARG 152 Cb 0.38 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 3huw n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3huw n LYS 153 N 0.30 0.00 0.00 5.56 4.76 -1.26 -5.02 118.16 122.49 3huw n LYS 153 Ca 0.36 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.80 3huw n LYS 153 Cb 0.33 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.52 3huw n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3huw n GLY 154 N 3.98 -0.31 0.00 0.72 0.00 -1.26 -5.18 105.19 103.14 3huw n GLY 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3huw n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11