#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huw s ILE 2 N 0.00 4.86 0.00 2.02 -4.36 -1.26 -4.72 121.20 117.73 3huw s ILE 2 Ca 0.00 0.80 0.00 0.00 -0.26 0.00 0.00 60.65 61.19 3huw s ILE 2 Cb 0.00 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 39.99 3huw s ILE 2 CO 0.00 0.21 0.00 -1.54 0.24 0.00 0.00 174.94 173.85 3huw n SER 3 N 0.70 0.00 -0.12 4.36 3.41 -1.26 0.21 113.62 120.92 3huw n SER 3 Ca -0.05 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.32 3huw n SER 3 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3huw n SER 3 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3huw n VAL 4 N -0.24 1.34 0.29 -3.33 0.24 -1.16 -4.32 118.33 111.16 3huw n VAL 4 Ca 0.00 -0.37 0.02 0.00 -2.04 0.00 0.00 64.34 61.95 3huw n VAL 4 Cb 0.00 -1.74 0.12 0.00 -1.47 0.00 0.00 33.84 30.75 3huw n VAL 4 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3huw h THR 5 N -0.72 0.00 -0.63 3.34 1.35 -1.86 1.79 112.91 116.18 3huw h THR 5 Ca -0.60 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 64.95 3huw h THR 5 Cb 1.59 0.09 -0.18 0.00 -1.73 0.00 0.00 68.15 67.92 3huw h THR 5 CO -0.32 0.00 0.24 -0.90 -0.25 0.00 0.00 175.52 174.28 3huw n ASP 6 N -2.39 3.21 -4.87 5.36 3.85 -1.26 -4.99 116.55 115.45 3huw n ASP 6 Ca -0.00 -3.64 -0.22 0.00 -0.71 0.00 0.00 54.79 50.22 3huw n ASP 6 Cb 0.85 -0.72 0.06 0.00 -1.35 0.00 0.00 41.12 39.96 3huw n ASP 6 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3huw s LEU 7 N -3.23 3.16 -0.17 -2.12 1.43 0.61 -4.93 118.68 113.42 3huw s LEU 7 Ca 0.50 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.10 3huw s LEU 7 Cb 0.44 -2.44 0.11 0.00 0.03 0.00 0.00 46.19 44.32 3huw s LEU 7 CO 0.06 -1.42 0.90 -0.13 0.23 0.00 0.00 176.35 175.99 3huw s ARG 8 N -4.89 0.71 0.75 1.70 0.52 -1.26 -5.06 118.95 111.42 3huw s ARG 8 Ca 0.61 0.37 -0.16 0.00 -0.52 0.00 0.00 55.73 56.03 3huw s ARG 8 Cb -0.08 0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.71 3huw s ARG 8 CO 0.40 -0.18 0.66 -2.30 0.02 0.00 0.00 175.30 173.90 3huw n PRO 9 N 1.32 0.27 0.00 3.54 -0.02 -1.26 -1.05 135.00 137.80 3huw n PRO 9 Ca -0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3huw n PRO 9 Cb 0.57 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3huw n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huw n GLY 10 N 1.43 2.56 3.71 -1.23 0.00 0.32 -4.95 105.19 107.03 3huw n GLY 10 Ca 0.11 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3huw n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huw n THR 11 N 0.00 0.24 -4.16 2.61 -1.04 -0.22 -4.77 114.28 106.95 3huw n THR 11 Ca 0.00 -0.06 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 3huw n THR 11 Cb 0.00 -1.86 -0.08 0.00 -1.82 0.00 0.00 70.33 66.57 3huw n THR 11 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3huw s LYS 12 N 0.72 3.13 0.15 -2.82 3.01 -1.26 -1.75 119.74 120.92 3huw s LYS 12 Ca 0.73 -0.36 -0.10 0.00 -1.01 0.00 0.00 55.97 55.24 3huw s LYS 12 Cb -0.55 -2.92 -0.00 0.00 -1.01 0.00 0.00 37.83 33.35 3huw s LYS 12 CO 0.37 0.71 0.28 0.54 0.51 0.00 0.00 175.35 177.76 3huw s VAL 13 N -1.02 0.08 -0.35 3.17 0.11 -1.25 -1.84 120.40 119.31 3huw s VAL 13 Ca 0.17 -1.26 -0.12 0.00 -2.93 0.00 0.00 61.98 57.83 3huw s VAL 13 Cb -0.12 -1.67 -0.00 0.00 -1.53 0.00 0.00 36.38 33.06 3huw s VAL 13 CO 0.06 -0.37 0.22 -0.75 -3.33 0.00 0.00 175.10 170.93 3huw s LYS 14 N -3.93 3.29 -0.03 1.54 2.20 -0.80 -2.24 119.74 119.78 3huw s LYS 14 Ca 0.13 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 3huw s LYS 14 Cb 0.03 -3.76 -0.00 0.00 -1.51 0.00 0.00 37.83 32.59 3huw s LYS 14 CO -0.03 -0.51 -0.14 -1.64 -0.36 0.00 0.00 175.35 172.66 3huw s MET 15 N 1.67 1.36 -1.43 4.03 -1.94 -0.32 -4.73 119.30 117.94 3huw s MET 15 Ca 0.05 -0.49 -0.08 0.00 -1.71 0.00 0.00 55.69 53.47 3huw s MET 15 Cb -0.18 -1.24 0.05 0.00 2.01 0.00 0.00 34.83 35.47 3huw s MET 15 CO 0.09 0.22 0.87 -0.25 -0.01 0.00 0.00 175.02 175.93 3huw n ASP 16 N 3.09 -3.31 0.00 3.03 8.00 -1.26 -0.37 116.55 125.74 3huw n ASP 16 Ca -0.17 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.54 3huw n ASP 16 Cb 0.54 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3huw n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huw n GLY 17 N -1.66 1.00 3.96 0.44 0.00 -1.26 -4.94 105.19 102.72 3huw n GLY 17 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 3huw n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huw s GLY 18 N -1.96 1.98 -0.19 -0.02 0.00 0.51 -5.09 107.32 102.55 3huw s GLY 18 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 44.72 42.88 3huw s GLY 18 CO 0.00 -1.56 0.17 1.08 0.00 0.00 0.00 173.10 172.79 3huw s LEU 19 N -4.25 4.22 0.00 0.66 1.43 -1.26 -1.17 118.68 118.30 3huw s LEU 19 Ca 0.51 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3huw s LEU 19 Cb -0.08 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3huw s LEU 19 CO 0.31 0.16 0.00 0.79 0.23 0.00 0.00 176.35 177.84 3huw n TRP 20 N 3.52 0.00 -3.15 0.29 7.02 -0.95 -0.68 117.44 123.49 3huw n TRP 20 Ca -0.15 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.39 3huw n TRP 20 Cb 0.52 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.40 3huw n TRP 20 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3huw s GLU 21 N 0.94 0.12 0.13 -0.99 2.12 -1.02 -3.81 118.70 116.19 3huw s GLU 21 Ca 0.00 0.19 -0.35 0.00 0.36 0.00 0.00 54.97 55.17 3huw s GLU 21 Cb 0.00 0.10 -0.15 0.00 0.26 0.00 0.00 34.13 34.34 3huw s GLU 21 CO 0.00 -0.15 1.52 0.00 -0.54 0.00 0.00 175.26 176.09 3huw n VAL 23 N 3.20 0.00 -3.72 0.00 0.24 -0.29 0.12 118.33 117.88 3huw n VAL 23 Ca 0.18 -0.47 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 3huw n VAL 23 Cb 0.26 1.00 -0.13 0.00 -1.47 0.00 0.00 33.84 33.49 3huw n VAL 23 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3huw s GLU 24 N -0.93 0.18 -0.09 7.34 0.41 -1.17 -4.84 118.70 119.60 3huw s GLU 24 Ca 0.00 0.53 -0.04 0.00 -0.41 0.00 0.00 54.97 55.05 3huw s GLU 24 Cb 0.00 -0.13 0.05 0.00 -1.78 0.00 0.00 34.13 32.27 3huw s GLU 24 CO 0.00 -0.18 0.20 -0.47 -0.49 0.00 0.00 175.26 174.32 3huw s TYR 25 N 1.38 -0.26 -0.24 1.61 5.04 -1.26 -1.39 117.35 122.23 3huw s TYR 25 Ca -0.08 0.68 -0.03 0.00 -2.44 0.00 0.00 57.07 55.20 3huw s TYR 25 Cb -0.11 -0.08 0.10 0.00 0.35 0.00 0.00 41.96 42.22 3huw s TYR 25 CO -0.08 -0.24 0.22 -1.14 -1.34 0.00 0.00 175.55 172.96 3huw s GLN 26 N 1.69 0.22 0.26 4.97 0.74 -0.97 -4.99 119.66 121.59 3huw s GLN 26 Ca -0.04 -0.05 -0.31 0.00 0.05 0.00 0.00 55.36 55.01 3huw s GLN 26 Cb -0.11 -1.09 -0.12 0.00 1.10 0.00 0.00 33.01 32.79 3huw s GLN 26 CO -0.07 -0.83 1.64 1.58 -0.55 0.00 0.00 175.29 177.06 3huw n HIS 27 N 5.30 2.81 -4.00 1.67 -0.00 -1.26 -3.04 115.22 116.71 3huw n HIS 27 Ca -0.05 0.18 -0.27 0.00 -0.00 0.00 0.00 57.72 57.58 3huw n HIS 27 Cb 0.47 -2.62 -0.17 0.00 -0.00 0.00 0.00 29.99 27.67 3huw n HIS 27 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3huw s GLN 28 N 0.09 1.69 -0.41 1.57 0.74 0.19 -4.97 119.66 118.55 3huw s GLN 28 Ca 0.68 -0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.82 3huw s GLN 28 Cb -0.50 -1.67 0.19 0.00 1.10 0.00 0.00 33.01 32.13 3huw s GLN 28 CO 0.43 -0.23 0.43 1.17 -0.55 0.00 0.00 175.29 176.53 3huw n LYS 29 N 4.80 0.35 -4.00 1.67 0.00 -1.26 0.71 118.16 120.43 3huw n LYS 29 Ca -0.14 -3.07 -0.26 0.00 0.00 0.00 0.00 58.31 54.83 3huw n LYS 29 Cb 0.50 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.96 3huw n LYS 29 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 3huw s LEU 30 N -0.22 4.11 0.00 3.14 0.05 -1.26 -4.94 118.68 119.55 3huw s LEU 30 Ca 0.33 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.55 3huw s LEU 30 Cb 0.08 -2.70 0.00 0.00 -2.05 0.00 0.00 46.19 41.52 3huw s LEU 30 CO -0.17 0.06 0.00 0.61 -0.55 0.00 0.00 176.35 176.30 3huw n GLY 31 N -0.49 -1.31 0.69 -3.48 0.00 -1.26 -3.72 105.19 95.62 3huw n GLY 31 Ca -0.08 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.95 3huw n GLY 31 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3huw n ARG 32 N -1.94 1.91 0.00 1.61 1.85 -1.26 -4.95 116.66 113.89 3huw n ARG 32 Ca 0.00 -1.37 0.00 0.00 -1.00 0.00 0.00 57.85 55.48 3huw n ARG 32 Cb 0.09 -1.42 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 3huw n ARG 32 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3huw n GLY 33 N 1.22 -3.48 3.85 2.89 0.00 -1.24 -4.98 105.19 103.44 3huw n GLY 33 Ca 0.17 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 3huw n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huw s GLY 34 N -2.04 2.02 1.00 -0.02 0.00 -1.26 -4.92 107.32 102.09 3huw s GLY 34 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 3huw s GLY 34 CO 0.00 0.29 1.08 0.00 0.00 0.00 0.00 173.10 174.47 3huw s ALA 35 N -2.55 0.82 -0.02 3.20 0.00 -1.26 -4.85 121.76 117.09 3huw s ALA 35 Ca 0.56 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 3huw s ALA 35 Cb -0.10 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3huw s ALA 35 CO 0.32 -2.95 0.15 0.15 0.00 0.00 0.00 175.76 173.42 3huw s LYS 36 N -4.75 0.37 -0.28 0.00 1.02 0.22 -2.98 119.74 113.35 3huw s LYS 36 Ca 0.66 -0.14 -0.05 0.00 0.02 0.00 0.00 55.97 56.46 3huw s LYS 36 Cb -0.21 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.28 3huw s LYS 36 CO 0.60 -0.08 0.02 0.08 -0.92 0.00 0.00 175.35 175.05 3huw s VAL 37 N -0.80 3.50 -0.35 3.17 1.01 0.13 0.52 120.40 127.58 3huw s VAL 37 Ca -0.09 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3huw s VAL 37 Cb -0.05 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3huw s VAL 37 CO 0.01 0.12 0.12 -0.69 0.00 0.00 0.00 175.10 174.65 3huw s VAL 38 N 1.42 3.48 0.53 2.92 1.01 -1.17 -0.58 120.40 128.01 3huw s VAL 38 Ca 0.01 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 60.56 3huw s VAL 38 Cb -0.17 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3huw s VAL 38 CO -0.00 -0.32 0.18 0.00 0.00 0.00 0.00 175.10 174.96 3huw s ALA 39 N 1.30 4.31 -0.00 5.51 0.00 -0.15 -2.29 121.76 130.44 3huw s ALA 39 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.31 3huw s ALA 39 Cb -0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.59 3huw s ALA 39 CO -0.00 -0.21 -0.04 0.15 0.00 0.00 0.00 175.76 175.66 3huw s LYS 40 N -4.07 0.31 0.43 0.00 1.02 -0.48 -0.42 119.74 116.52 3huw s LYS 40 Ca 0.17 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.06 3huw s LYS 40 Cb -0.00 -0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 3huw s LYS 40 CO 0.10 0.08 0.08 -0.06 -0.92 0.00 0.00 175.35 174.63 3huw s PHE 41 N -0.08 1.87 -0.10 3.18 0.40 -1.09 -1.14 117.98 121.02 3huw s PHE 41 Ca 0.01 -1.12 -0.05 0.00 -0.60 0.00 0.00 56.93 55.17 3huw s PHE 41 Cb -0.02 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.23 3huw s PHE 41 CO -0.00 -0.08 0.23 0.15 0.70 0.00 0.00 175.22 176.22 3huw s LYS 42 N -3.78 0.19 0.62 0.44 1.02 -1.21 -2.73 119.74 114.29 3huw s LYS 42 Ca 0.21 0.48 -0.18 0.00 0.02 0.00 0.00 55.97 56.50 3huw s LYS 42 Cb 0.03 -0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.21 3huw s LYS 42 CO 0.12 -0.15 1.22 -0.80 -0.92 0.00 0.00 175.35 174.81 3huw s ASN 43 N 1.14 5.00 0.10 2.83 0.01 -0.15 -2.43 114.94 121.44 3huw s ASN 43 Ca -0.08 2.42 -0.07 0.00 -0.71 0.00 0.00 52.86 54.41 3huw s ASN 43 Cb -0.10 -2.60 -0.18 0.00 0.41 0.00 0.00 41.25 38.78 3huw s ASN 43 CO -0.07 -1.72 1.22 -0.07 -1.51 0.00 0.00 177.10 174.94 3huw h LEU 44 N 0.70 0.60 0.00 0.60 3.38 -1.17 -3.40 115.31 116.02 3huw h LEU 44 Ca -0.50 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 56.94 3huw h LEU 44 Cb 1.30 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3huw h LEU 44 CO 0.54 1.35 -0.32 -1.84 0.09 0.00 0.00 178.44 178.26 3huw n GLU 45 N -3.71 0.28 -1.62 1.13 -0.00 -1.26 -4.88 120.64 110.57 3huw n GLU 45 Ca -0.09 0.41 -0.30 0.00 -0.00 0.00 0.00 57.16 57.19 3huw n GLU 45 Cb 0.91 -1.32 0.08 0.00 -0.00 0.00 0.00 31.44 31.11 3huw n GLU 45 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 3huw s THR 46 N -1.77 3.11 -0.18 3.84 -4.23 -1.26 -4.96 115.64 110.19 3huw s THR 46 Ca -0.09 0.36 0.17 0.00 -1.18 0.00 0.00 61.69 60.95 3huw s THR 46 Cb 0.01 -3.16 0.03 0.00 1.34 0.00 0.00 72.50 70.73 3huw s THR 46 CO 0.14 -0.47 1.26 1.23 -0.54 0.00 0.00 174.62 176.23 3huw h GLY 47 N -1.01 0.00 -1.09 3.99 0.00 -1.91 -3.33 103.07 99.71 3huw h GLY 47 Ca -0.47 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 3huw h GLY 47 CO 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 177.07 3huw n ALA 48 N -2.25 -1.32 -2.71 3.60 0.00 -1.26 -4.09 120.51 112.48 3huw n ALA 48 Ca -0.01 0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.22 3huw n ALA 48 Cb 0.73 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 3huw n ALA 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3huw s THR 49 N -0.14 1.35 -0.30 0.00 -4.23 -1.26 -0.98 115.64 110.07 3huw s THR 49 Ca 0.15 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.49 3huw s THR 49 Cb -0.21 -2.40 0.18 0.00 1.34 0.00 0.00 72.50 71.41 3huw s THR 49 CO 0.12 0.00 1.19 0.54 -0.54 0.00 0.00 174.62 175.93 3huw s VAL 50 N -2.86 -0.05 0.23 2.29 0.11 -1.11 -4.96 120.40 114.05 3huw s VAL 50 Ca 0.15 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.90 3huw s VAL 50 Cb 0.04 -0.38 -0.09 0.00 -1.53 0.00 0.00 36.38 34.43 3huw s VAL 50 CO 0.08 0.00 1.08 -0.70 -3.33 0.00 0.00 175.10 172.23 3huw s GLU 51 N 2.99 4.64 0.24 1.54 2.12 -1.26 -2.67 118.70 126.29 3huw s GLU 51 Ca 0.18 1.73 -0.02 0.00 0.36 0.00 0.00 54.97 57.22 3huw s GLU 51 Cb -0.03 -3.24 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3huw s GLU 51 CO -0.17 0.18 0.24 1.03 -0.54 0.00 0.00 175.26 176.00 3huw s ARG 52 N -0.90 1.39 0.03 4.30 0.52 0.45 -4.95 118.95 119.79 3huw s ARG 52 Ca 0.46 -1.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.08 3huw s ARG 52 Cb -0.30 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 3huw s ARG 52 CO 0.37 -0.50 -0.08 0.99 0.02 0.00 0.00 175.30 176.10 3huw s THR 53 N -3.95 0.61 0.04 0.02 2.01 -1.26 -0.98 115.64 112.13 3huw s THR 53 Ca 0.35 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3huw s THR 53 Cb 0.04 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3huw s THR 53 CO 0.14 -0.19 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.49 3huw s PHE 54 N -0.97 0.43 0.77 4.92 0.08 0.25 -4.97 117.98 118.49 3huw s PHE 54 Ca -0.05 -0.85 -0.13 0.00 0.12 0.00 0.00 56.93 56.02 3huw s PHE 54 Cb -0.08 -0.32 0.18 0.00 -0.57 0.00 0.00 43.02 42.24 3huw s PHE 54 CO 0.00 -0.30 1.05 0.09 -0.10 0.00 0.00 175.22 175.96 3huw n ASN 55 N 0.70 0.07 -0.19 1.36 3.02 -1.26 0.17 115.26 119.13 3huw n ASN 55 Ca -0.18 -1.38 -0.09 0.00 -0.03 0.00 0.00 54.58 52.91 3huw n ASN 55 Cb 0.59 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3huw n ASN 55 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3huw h SER 56 N -1.38 0.86 0.00 6.41 4.64 -1.90 -3.39 113.55 118.80 3huw h SER 56 Ca -0.34 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 3huw h SER 56 Cb 0.93 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3huw h SER 56 CO 0.24 0.90 0.00 0.61 -0.87 0.00 0.00 176.83 177.71 3huw n GLY 57 N -0.55 -1.90 0.00 -0.77 0.00 -1.26 -4.48 105.19 96.23 3huw n GLY 57 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3huw n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huw n GLU 58 N -0.19 0.00 -3.76 1.61 1.02 -1.26 -4.37 120.64 113.69 3huw n GLU 58 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.88 3huw n GLU 58 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3huw n GLU 58 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3huw s LYS 59 N 0.00 3.49 -0.16 3.49 1.02 -1.26 -2.99 119.74 123.33 3huw s LYS 59 Ca 0.00 -0.44 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 3huw s LYS 59 Cb 0.00 -2.87 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 3huw s LYS 59 CO 0.00 0.42 -0.24 1.28 -0.92 0.00 0.00 175.35 175.89 3huw n LEU 60 N -0.76 1.37 0.00 3.17 7.99 0.58 -4.90 117.00 124.44 3huw n LEU 60 Ca -0.06 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.18 3huw n LEU 60 Cb 0.54 -0.55 0.00 0.00 -0.11 0.00 0.00 43.42 43.30 3huw n LEU 60 CO 0.48 0.21 0.00 1.21 -1.51 0.00 0.00 177.39 177.78 3huw n GLU 61 N -3.89 0.00 -1.64 3.23 2.13 -1.22 -4.60 120.64 114.65 3huw n GLU 61 Ca -0.31 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.12 3huw n GLU 61 Cb 0.67 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.42 3huw n GLU 61 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 3huw n ASP 62 N 0.00 1.31 -4.62 4.31 5.75 -1.26 -1.90 116.55 120.14 3huw n ASP 62 Ca 0.00 0.91 -0.26 0.00 -0.01 0.00 0.00 54.79 55.43 3huw n ASP 62 Cb 0.00 -1.42 -0.09 0.00 -1.03 0.00 0.00 41.12 38.58 3huw n ASP 62 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3huw s ILE 63 N -1.40 2.38 -0.67 2.12 -4.36 -0.77 -4.77 121.20 113.73 3huw s ILE 63 Ca 0.71 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 3huw s ILE 63 Cb -0.46 -2.82 0.23 0.00 1.25 0.00 0.00 42.46 40.67 3huw s ILE 63 CO 0.51 -0.14 0.72 -1.22 0.24 0.00 0.00 174.94 175.04 3huw n TYR 64 N -0.95 3.55 -3.16 1.37 4.02 -1.26 -4.69 117.16 116.04 3huw n TYR 64 Ca -0.04 -4.15 -0.39 0.00 -0.01 0.00 0.00 57.90 53.31 3huw n TYR 64 Cb 0.64 -0.61 -0.02 0.00 -0.02 0.00 0.00 39.34 39.33 3huw n TYR 64 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3huw n VAL 65 N 1.13 4.47 -2.54 -0.72 0.31 -1.26 -4.35 118.33 115.37 3huw n VAL 65 Ca 0.27 -5.70 -0.34 0.00 -0.01 0.00 0.00 64.34 58.57 3huw n VAL 65 Cb 0.39 -2.13 -0.04 0.00 -0.91 0.00 0.00 33.84 31.16 3huw n VAL 65 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3huw s GLU 66 N -2.57 3.85 -0.63 5.55 2.02 -1.08 -4.72 118.70 121.11 3huw s GLU 66 Ca 0.33 1.28 -0.04 0.00 0.02 0.00 0.00 54.97 56.56 3huw s GLU 66 Cb 0.06 -2.11 0.16 0.00 0.10 0.00 0.00 34.13 32.34 3huw s GLU 66 CO 0.06 -0.38 0.45 0.99 0.02 0.00 0.00 175.26 176.39 3huw s THR 67 N -2.10 3.82 0.96 3.63 2.01 -1.26 -1.15 115.64 121.55 3huw s THR 67 Ca 0.65 -2.87 -0.15 0.00 0.31 0.00 0.00 61.69 59.63 3huw s THR 67 Cb -0.15 -3.49 0.18 0.00 0.01 0.00 0.00 72.50 69.06 3huw s THR 67 CO 0.21 -0.88 1.27 -0.13 -0.69 0.00 0.00 174.62 174.40 3huw s ARG 68 N 0.03 0.72 -0.23 4.92 0.52 -1.20 -4.88 118.95 118.82 3huw s ARG 68 Ca 0.16 -0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 3huw s ARG 68 Cb -0.20 -1.84 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 3huw s ARG 68 CO -0.04 -2.39 -0.01 -2.00 0.02 0.00 0.00 175.30 170.89 3huw s GLU 69 N -5.77 3.47 0.32 3.54 2.12 -1.26 -3.14 118.70 117.98 3huw s GLU 69 Ca 0.71 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 55.47 3huw s GLU 69 Cb -0.06 -3.11 0.06 0.00 0.26 0.00 0.00 34.13 31.28 3huw s GLU 69 CO 0.53 -0.19 0.44 1.28 -0.54 0.00 0.00 175.26 176.77 3huw n LEU 70 N 4.83 0.00 -3.68 2.70 4.77 -0.82 -2.76 117.00 122.04 3huw n LEU 70 Ca -0.18 -0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 54.74 3huw n LEU 70 Cb 0.51 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3huw n LEU 70 CO 0.29 -0.70 0.13 -1.58 -1.33 0.00 0.00 177.39 174.20 3huw s GLN 71 N -3.55 0.47 0.41 3.23 0.74 0.39 -3.01 119.66 118.35 3huw s GLN 71 Ca 0.29 0.88 -0.25 0.00 0.05 0.00 0.00 55.36 56.33 3huw s GLN 71 Cb -0.02 0.03 -0.08 0.00 1.10 0.00 0.00 33.01 34.04 3huw s GLN 71 CO 0.19 -0.15 1.22 -0.47 -0.55 0.00 0.00 175.29 175.54 3huw s TYR 72 N 1.39 2.94 0.03 1.67 6.14 -0.75 0.44 117.35 129.22 3huw s TYR 72 Ca -0.09 1.50 0.00 0.00 0.64 0.00 0.00 57.07 59.11 3huw s TYR 72 Cb -0.07 -3.51 0.00 0.00 0.42 0.00 0.00 41.96 38.80 3huw s TYR 72 CO -0.14 -1.66 0.00 1.28 0.64 0.00 0.00 175.55 175.67 3huw n LEU 73 N 0.03 0.21 -3.55 6.97 4.77 0.47 -3.38 117.00 122.53 3huw n LEU 73 Ca 0.04 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 3huw n LEU 73 Cb 0.45 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3huw n LEU 73 CO 0.52 -0.57 0.28 -0.72 -1.33 0.00 0.00 177.39 175.58 3huw s TYR 74 N -1.25 -0.40 0.95 -1.77 1.13 -1.25 -4.48 117.35 110.29 3huw s TYR 74 Ca 0.00 0.28 -0.14 0.00 -1.41 0.00 0.00 57.07 55.80 3huw s TYR 74 Cb 0.00 0.38 0.17 0.00 -1.10 0.00 0.00 41.96 41.41 3huw s TYR 74 CO 0.00 -0.72 1.19 -2.14 -2.51 0.00 0.00 175.55 171.38 3huw s PRO 75 N -3.16 0.78 0.00 -3.49 0.02 -1.26 -1.78 135.00 126.11 3huw s PRO 75 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.02 3huw s PRO 75 Cb -0.00 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.70 3huw s PRO 75 CO -0.07 -2.39 0.00 -1.91 -0.33 0.00 0.00 177.00 172.30 3huw n GLU 76 N -3.84 0.00 0.00 5.54 2.13 -0.91 -4.86 120.64 118.70 3huw n GLU 76 Ca 0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.92 3huw n GLU 76 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.31 3huw n GLU 76 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3huw n GLY 77 N 0.00 1.22 2.18 8.31 0.00 -1.26 -1.09 105.19 114.55 3huw n GLY 77 Ca 0.00 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 3huw n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3huw n GLU 78 N 1.85 2.38 -4.34 1.61 -0.58 -1.26 -4.89 120.64 115.41 3huw n GLU 78 Ca 0.00 -2.78 -0.18 0.00 -0.42 0.00 0.00 57.16 53.78 3huw n GLU 78 Cb 0.00 -2.09 -0.10 0.00 -0.57 0.00 0.00 31.44 28.68 3huw n GLU 78 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3huw s GLU 79 N -3.20 1.50 -0.01 3.49 2.02 -0.25 -2.75 118.70 119.49 3huw s GLU 79 Ca 0.55 -1.83 -0.04 0.00 0.02 0.00 0.00 54.97 53.67 3huw s GLU 79 Cb 0.43 -0.25 -0.00 0.00 0.10 0.00 0.00 34.13 34.41 3huw s GLU 79 CO 0.01 -0.34 0.08 0.00 0.02 0.00 0.00 175.26 175.03 3huw s MET 80 N -3.95 0.28 -0.07 1.61 0.23 -1.00 -2.14 119.30 114.27 3huw s MET 80 Ca 0.37 -0.22 -0.01 0.00 -1.03 0.00 0.00 55.69 54.80 3huw s MET 80 Cb 0.07 0.12 -0.03 0.00 -1.53 0.00 0.00 34.83 33.45 3huw s MET 80 CO 0.15 -0.06 -0.01 0.08 -2.03 0.00 0.00 175.02 173.15 3huw s VAL 81 N -0.79 4.20 0.11 5.16 1.01 -0.73 -2.40 120.40 126.97 3huw s VAL 81 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3huw s VAL 81 Cb -0.05 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 3huw s VAL 81 CO 0.00 0.56 0.01 0.49 0.00 0.00 0.00 175.10 176.16 3huw n PHE 82 N 2.01 0.22 -3.65 5.22 3.01 -0.66 -0.40 117.46 123.21 3huw n PHE 82 Ca -0.18 -0.57 -0.13 0.00 1.01 0.00 0.00 57.45 57.58 3huw n PHE 82 Cb 0.53 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 3huw n PHE 82 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3huw s MET 83 N -2.40 0.75 -0.62 -1.08 -2.45 0.17 -2.81 119.30 110.86 3huw s MET 83 Ca 0.01 0.92 -0.27 0.00 -1.25 0.00 0.00 55.69 55.10 3huw s MET 83 Cb 0.00 0.35 0.04 0.00 1.25 0.00 0.00 34.83 36.47 3huw s MET 83 CO 0.01 -0.09 1.15 0.34 1.05 0.00 0.00 175.02 177.47 3huw s ASP 84 N 0.43 6.33 0.00 1.11 2.15 -1.23 0.15 116.67 125.62 3huw s ASP 84 Ca -0.01 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.77 3huw s ASP 84 Cb -0.05 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 3huw s ASP 84 CO -0.00 -1.52 0.09 0.18 -0.17 0.00 0.00 175.17 173.74 3huw n LEU 85 N 8.44 0.00 0.00 -1.34 4.77 -1.11 0.36 117.00 128.13 3huw n LEU 85 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3huw n LEU 85 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3huw n LEU 85 CO 0.69 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.96 3huw n GLU 86 N -0.45 0.00 -0.20 3.23 4.07 -1.26 -4.73 120.64 121.30 3huw n GLU 86 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3huw n GLU 86 Cb 0.00 -0.12 0.26 0.00 -0.06 0.00 0.00 31.44 31.52 3huw n GLU 86 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 3huw n THR 87 N -1.73 0.53 -3.17 6.31 -2.24 -0.98 -4.95 114.28 108.05 3huw n THR 87 Ca 0.00 -0.60 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 3huw n THR 87 Cb 0.00 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.66 3huw n THR 87 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3huw n TYR 88 N 0.88 -1.71 -1.62 4.78 4.01 0.16 -4.95 117.16 118.71 3huw n TYR 88 Ca 0.17 0.34 -0.30 0.00 -0.16 0.00 0.00 57.90 57.96 3huw n TYR 88 Cb 0.43 -2.61 0.10 0.00 -0.31 0.00 0.00 39.34 36.94 3huw n TYR 88 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 3huw s GLU 89 N -5.79 1.92 -0.22 -0.72 1.03 -1.26 -4.81 118.70 108.84 3huw s GLU 89 Ca 0.31 0.48 -0.04 0.00 0.03 0.00 0.00 54.97 55.75 3huw s GLU 89 Cb -0.17 -1.91 -0.01 0.00 -0.80 0.00 0.00 34.13 31.24 3huw s GLU 89 CO 0.38 -1.70 -0.04 -1.14 -1.33 0.00 0.00 175.26 171.42 3huw s GLN 90 N -5.25 3.38 -0.21 -4.83 2.00 -1.26 -3.49 119.66 110.01 3huw s GLN 90 Ca 0.61 -0.62 -0.02 0.00 -2.00 0.00 0.00 55.36 53.33 3huw s GLN 90 Cb -0.14 -3.00 0.01 0.00 0.80 0.00 0.00 33.01 30.68 3huw s GLN 90 CO 0.53 -0.18 -0.11 -0.06 -0.50 0.00 0.00 175.29 174.97 3huw s PHE 91 N 1.44 2.89 -0.93 1.67 0.08 -1.12 -5.01 117.98 116.99 3huw s PHE 91 Ca 0.05 -1.26 -0.14 0.00 0.12 0.00 0.00 56.93 55.70 3huw s PHE 91 Cb -0.14 -2.03 0.21 0.00 -0.57 0.00 0.00 43.02 40.49 3huw s PHE 91 CO -0.03 -0.67 0.95 0.00 -0.10 0.00 0.00 175.22 175.38 3huw s ALA 92 N 1.39 4.04 -0.11 5.36 0.00 -1.26 -1.65 121.76 129.52 3huw s ALA 92 Ca 0.05 -3.30 -0.23 0.00 0.00 0.00 0.00 51.96 48.48 3huw s ALA 92 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 3huw s ALA 92 CO -0.07 -2.46 0.71 0.08 0.00 0.00 0.00 175.76 174.02 3huw s VAL 93 N 0.56 5.01 0.02 0.00 1.01 -1.01 -4.92 120.40 121.07 3huw s VAL 93 Ca 0.25 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.36 3huw s VAL 93 Cb -0.08 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 3huw s VAL 93 CO -0.08 0.18 1.57 -2.84 0.00 0.00 0.00 175.10 173.93 3huw s PRO 94 N 1.29 4.22 0.11 2.72 0.02 -1.26 -2.36 135.00 139.74 3huw s PRO 94 Ca 0.36 2.18 0.07 0.00 0.02 0.00 0.00 61.00 63.63 3huw s PRO 94 Cb -0.17 -3.68 0.39 0.00 0.02 0.00 0.00 34.50 31.05 3huw s PRO 94 CO 0.15 -0.71 0.43 0.54 -0.33 0.00 0.00 177.00 177.08 3huw n ARG 95 N 5.90 -0.01 0.13 5.54 1.74 -1.11 -0.55 116.66 128.30 3huw n ARG 95 Ca 0.15 0.36 -0.14 0.00 -0.77 0.00 0.00 57.85 57.46 3huw n ARG 95 Cb 0.42 -0.67 -0.08 0.00 -1.02 0.00 0.00 32.46 31.11 3huw n ARG 95 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3huw h SER 96 N 0.00 -0.22 0.00 0.55 4.64 -1.89 -2.79 113.55 113.83 3huw h SER 96 Ca 0.24 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3huw h SER 96 Cb 0.69 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3huw h SER 96 CO -0.17 -0.13 0.00 0.54 -0.87 0.00 0.00 176.83 176.20 3huw n ARG 97 N -5.19 0.61 -3.83 4.77 1.74 0.28 -4.33 116.66 110.70 3huw n ARG 97 Ca -0.09 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.65 3huw n ARG 97 Cb 0.14 -1.07 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 3huw n ARG 97 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3huw s VAL 98 N -1.77 3.13 0.09 1.55 1.01 -1.05 -1.42 120.40 121.93 3huw s VAL 98 Ca 0.00 -2.85 -0.34 0.00 0.00 0.00 0.00 61.98 58.79 3huw s VAL 98 Cb 0.00 -3.12 -0.14 0.00 0.00 0.00 0.00 36.38 33.13 3huw s VAL 98 CO 0.00 -0.79 1.63 0.52 0.00 0.00 0.00 175.10 176.46 3huw n VAL 99 N 3.65 0.14 -3.74 2.92 0.31 -0.10 -1.46 118.33 120.04 3huw n VAL 99 Ca 0.05 -0.03 -0.24 0.00 -0.01 0.00 0.00 64.34 64.11 3huw n VAL 99 Cb 0.37 -1.54 0.02 0.00 -0.91 0.00 0.00 33.84 31.78 3huw n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3huw n GLY 100 N 3.58 -0.44 0.31 2.92 0.00 -1.26 -4.48 105.19 105.82 3huw n GLY 100 Ca 0.19 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.49 3huw n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw h ALA 101 N 0.81 1.83 -3.40 4.61 0.00 -1.55 -3.36 119.26 118.19 3huw h ALA 101 Ca -0.63 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.04 3huw h ALA 101 Cb 1.36 -0.12 0.09 0.00 0.00 0.00 0.00 17.79 19.12 3huw h ALA 101 CO 0.56 0.12 0.19 0.39 0.00 0.00 0.00 179.25 180.51 3huw n GLU 102 N -4.48 -1.00 -0.58 0.00 4.71 -1.26 -3.39 120.64 114.64 3huw n GLU 102 Ca 0.04 -1.04 -0.01 0.00 -0.01 0.00 0.00 57.16 56.14 3huw n GLU 102 Cb 0.15 -0.75 -0.01 0.00 -1.01 0.00 0.00 31.44 29.82 3huw n GLU 102 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3huw n PHE 103 N -3.13 -0.07 0.00 -0.32 3.72 -1.26 -4.82 117.46 111.58 3huw n PHE 103 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3huw n PHE 103 Cb 0.30 -1.33 0.00 0.00 -0.94 0.00 0.00 39.48 37.51 3huw n PHE 103 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3huw n PHE 104 N -1.04 0.00 0.00 1.38 7.35 -1.22 -4.94 117.46 119.00 3huw n PHE 104 Ca -0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3huw n PHE 104 Cb 0.25 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.08 3huw n PHE 104 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 3huw n LYS 105 N 0.00 0.00 -1.73 -4.13 4.81 -1.26 -4.84 118.16 111.01 3huw n LYS 105 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 3huw n LYS 105 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 3huw n LYS 105 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3huw n GLU 106 N 0.00 1.15 0.00 1.64 4.71 -1.26 -1.67 120.64 125.21 3huw n GLU 106 Ca 0.00 -2.12 0.00 0.00 -0.01 0.00 0.00 57.16 55.03 3huw n GLU 106 Cb 0.00 -3.59 0.00 0.00 -1.01 0.00 0.00 31.44 26.84 3huw n GLU 106 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3huw n GLY 107 N 5.64 -0.54 3.85 0.62 0.00 -1.22 -4.84 105.19 108.69 3huw n GLY 107 Ca 0.45 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.14 3huw n GLY 107 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3huw s MET 108 N 0.00 4.01 -0.22 1.61 0.00 -0.67 -4.76 119.30 119.27 3huw s MET 108 Ca 0.00 0.69 -0.14 0.00 0.00 0.00 0.00 55.69 56.25 3huw s MET 108 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 34.83 32.37 3huw s MET 108 CO 0.00 0.15 0.30 0.95 0.00 0.00 0.00 175.02 176.42 3huw s THR 109 N -2.00 5.26 0.06 10.11 -4.23 -1.26 -1.81 115.64 121.77 3huw s THR 109 Ca 0.55 0.48 0.01 0.00 -1.18 0.00 0.00 61.69 61.54 3huw s THR 109 Cb -0.10 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 3huw s THR 109 CO 0.17 0.28 0.02 0.00 -0.54 0.00 0.00 174.62 174.55 3huw n ALA 110 N 4.46 0.08 -2.33 3.99 0.00 -1.16 -4.63 120.51 120.92 3huw n ALA 110 Ca -0.11 -0.29 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 3huw n ALA 110 Cb 0.51 0.19 -0.15 0.00 0.00 0.00 0.00 19.45 20.01 3huw n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3huw s LEU 111 N 0.00 2.12 0.01 0.00 1.43 0.32 -1.94 118.68 120.62 3huw s LEU 111 Ca 0.03 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3huw s LEU 111 Cb 0.00 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3huw s LEU 111 CO 0.02 0.29 -0.04 -0.83 0.23 0.00 0.00 176.35 176.02 3huw s GLY 112 N -0.91 0.25 -1.05 -3.19 0.00 -1.19 0.11 107.32 101.33 3huw s GLY 112 Ca 0.11 -0.36 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 3huw s GLY 112 CO 0.01 -0.37 1.30 0.99 0.00 0.00 0.00 173.10 175.03 3huw s ASP 113 N -0.67 6.77 -0.19 1.64 1.11 -0.79 -3.25 116.67 121.30 3huw s ASP 113 Ca -0.04 -2.32 -0.29 0.00 0.18 0.00 0.00 52.55 50.08 3huw s ASP 113 Cb -0.05 -2.43 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 3huw s ASP 113 CO -0.00 -1.01 1.95 -0.04 1.18 0.00 0.00 175.17 177.25 3huw s MET 114 N 2.67 3.52 -0.44 8.23 -1.94 -0.30 -2.90 119.30 128.12 3huw s MET 114 Ca 0.39 1.94 0.03 0.00 -1.71 0.00 0.00 55.69 56.34 3huw s MET 114 Cb -0.03 -4.22 0.12 0.00 2.01 0.00 0.00 34.83 32.71 3huw s MET 114 CO -0.05 -1.65 0.20 -0.47 -0.01 0.00 0.00 175.02 173.04 3huw s TYR 115 N 6.59 2.80 -0.58 -0.03 5.04 -1.17 -2.65 117.35 127.35 3huw s TYR 115 Ca 0.88 -2.80 -0.02 0.00 -2.44 0.00 0.00 57.07 52.69 3huw s TYR 115 Cb -0.31 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.53 3huw s TYR 115 CO 0.35 -0.80 0.50 0.39 -1.34 0.00 0.00 175.55 174.64 3huw n GLU 116 N 3.60 -3.34 -3.00 4.97 1.02 -1.26 -3.70 120.64 118.93 3huw n GLU 116 Ca 0.05 0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 57.39 3huw n GLU 116 Cb 0.35 -4.04 0.04 0.00 -0.02 0.00 0.00 31.44 27.78 3huw n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3huw n GLY 117 N -1.13 -0.30 3.01 0.62 0.00 -1.26 -5.01 105.19 101.12 3huw n GLY 117 Ca -0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 3huw n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3huw s GLN 118 N -5.62 0.45 0.31 1.61 -1.52 -1.24 -5.02 119.66 108.63 3huw s GLN 118 Ca 0.30 0.59 -0.29 0.00 -1.95 0.00 0.00 55.36 54.01 3huw s GLN 118 Cb -0.13 -0.06 -0.12 0.00 -0.22 0.00 0.00 33.01 32.48 3huw s GLN 118 CO 0.37 -0.77 1.47 -2.30 -0.25 0.00 0.00 175.29 173.82 3huw n PRO 119 N 5.39 2.43 -0.01 2.91 -0.02 -1.26 -3.05 135.00 141.40 3huw n PRO 119 Ca -0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3huw n PRO 119 Cb 0.51 -2.56 0.01 0.00 -0.02 0.00 0.00 33.50 31.43 3huw n PRO 119 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3huw n ILE 120 N 1.36 0.60 -3.39 4.25 -5.35 -1.14 -4.94 119.36 110.75 3huw n ILE 120 Ca 0.07 -0.80 0.02 0.00 -0.27 0.00 0.00 62.75 61.76 3huw n ILE 120 Cb 0.36 0.70 -0.03 0.00 -1.74 0.00 0.00 39.64 38.93 3huw n ILE 120 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3huw s LYS 121 N -0.62 0.46 -0.32 6.28 2.20 -1.23 -4.59 119.74 121.91 3huw s LYS 121 Ca 0.01 1.03 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 3huw s LYS 121 Cb 0.01 0.60 0.10 0.00 -1.51 0.00 0.00 37.83 37.02 3huw s LYS 121 CO 0.01 -0.30 0.05 0.08 -0.36 0.00 0.00 175.35 174.83 3huw s VAL 122 N 2.79 1.85 -0.05 4.02 1.01 -0.51 -1.88 120.40 127.63 3huw s VAL 122 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.02 3huw s VAL 122 Cb -0.11 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 3huw s VAL 122 CO -0.18 -0.57 -0.01 0.42 0.00 0.00 0.00 175.10 174.76 3huw s THR 123 N 1.13 4.14 0.00 3.92 -4.23 0.12 -0.93 115.64 119.79 3huw s THR 123 Ca 0.09 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3huw s THR 123 Cb -0.19 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.87 3huw s THR 123 CO -0.12 0.50 0.00 -0.81 -0.54 0.00 0.00 174.62 173.65 3huw n PRO 124 N 1.82 2.06 -3.51 3.99 -0.04 -1.26 0.12 135.00 138.18 3huw n PRO 124 Ca -0.17 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 3huw n PRO 124 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 3huw n PRO 124 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3huw s PRO 125 N 1.54 3.51 -0.91 0.54 0.02 -1.26 -4.72 135.00 133.71 3huw s PRO 125 Ca 0.00 -0.34 -0.25 0.00 0.02 0.00 0.00 61.00 60.43 3huw s PRO 125 Cb 0.00 -2.72 -0.07 0.00 0.02 0.00 0.00 34.50 31.73 3huw s PRO 125 CO 0.00 0.24 2.02 0.99 -0.33 0.00 0.00 177.00 179.93 3huw s THR 126 N -2.15 3.38 0.00 0.99 2.01 -1.26 -4.22 115.64 114.38 3huw s THR 126 Ca 0.39 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3huw s THR 126 Cb -0.10 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3huw s THR 126 CO 0.33 -0.78 0.00 0.52 -0.69 0.00 0.00 174.62 174.00 3huw n VAL 127 N 8.04 -0.03 -3.99 3.82 0.31 -1.25 -4.75 118.33 120.49 3huw n VAL 127 Ca 0.42 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.67 3huw n VAL 127 Cb 0.46 -0.03 -0.09 0.00 -0.91 0.00 0.00 33.84 33.28 3huw n VAL 127 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3huw s VAL 128 N -0.02 0.18 0.11 2.52 -7.23 -1.06 -4.85 120.40 110.06 3huw s VAL 128 Ca 0.00 -1.49 -0.26 0.00 -1.81 0.00 0.00 61.98 58.42 3huw s VAL 128 Cb 0.00 -1.33 -0.07 0.00 0.56 0.00 0.00 36.38 35.54 3huw s VAL 128 CO 0.00 -0.82 0.82 -1.61 -0.31 0.00 0.00 175.10 173.18 3huw s GLU 129 N -3.63 4.59 -0.16 4.82 2.02 -1.26 -2.29 118.70 122.79 3huw s GLU 129 Ca 0.04 1.20 -0.13 0.00 0.02 0.00 0.00 54.97 56.10 3huw s GLU 129 Cb 0.05 -3.33 0.04 0.00 0.10 0.00 0.00 34.13 31.00 3huw s GLU 129 CO -0.09 0.38 0.42 -0.51 0.02 0.00 0.00 175.26 175.47 3huw s LEU 130 N -0.49 0.29 -0.45 1.80 1.43 0.28 -4.98 118.68 116.57 3huw s LEU 130 Ca 0.39 0.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 3huw s LEU 130 Cb -0.22 1.41 0.03 0.00 0.03 0.00 0.00 46.19 47.43 3huw s LEU 130 CO 0.26 -0.16 0.90 -0.75 0.23 0.00 0.00 176.35 176.83 3huw s LYS 131 N 0.50 3.55 0.07 1.70 2.20 -1.26 -0.02 119.74 126.47 3huw s LYS 131 Ca -0.02 0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.44 3huw s LYS 131 Cb -0.04 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.30 3huw s LYS 131 CO -0.03 -1.17 1.38 0.54 -0.36 0.00 0.00 175.35 175.72 3huw s VAL 132 N 3.63 3.51 -0.77 4.02 0.11 -0.58 -1.11 120.40 129.23 3huw s VAL 132 Ca 0.36 1.03 0.09 0.00 -2.93 0.00 0.00 61.98 60.53 3huw s VAL 132 Cb -0.11 -3.66 0.25 0.00 -1.53 0.00 0.00 36.38 31.33 3huw s VAL 132 CO 0.25 0.05 1.20 1.33 -3.33 0.00 0.00 175.10 174.60 3huw n VAL 133 N 4.21 0.98 -3.63 2.04 0.24 -0.35 0.16 118.33 121.98 3huw n VAL 133 Ca 0.12 -0.99 0.00 0.00 -2.04 0.00 0.00 64.34 61.43 3huw n VAL 133 Cb 0.43 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 3huw n VAL 133 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3huw n ASP 134 N 0.34 1.06 0.00 -1.34 2.03 -1.03 -4.77 116.55 112.84 3huw n ASP 134 Ca 0.09 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.78 3huw n ASP 134 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 3huw n ASP 134 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3huw n THR 135 N 0.00 -0.49 -2.56 5.18 5.66 -1.26 -3.46 114.28 117.35 3huw n THR 135 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 3huw n THR 135 Cb 0.00 -0.19 -0.04 0.00 -1.55 0.00 0.00 70.33 68.55 3huw n THR 135 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3huw s PRO 136 N -5.10 4.57 0.00 1.09 0.04 -1.26 -4.41 135.00 129.92 3huw s PRO 136 Ca 0.00 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3huw s PRO 136 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 3huw s PRO 136 CO 0.00 -0.00 0.34 -2.30 0.04 0.00 0.00 177.00 175.08 3huw n PRO 137 N 3.07 0.00 0.00 0.56 -0.02 -1.26 -4.98 135.00 132.36 3huw n PRO 137 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3huw n PRO 137 Cb 0.47 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3huw n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huw n GLY 138 N -0.84 -1.44 0.00 -1.23 0.00 -1.26 -4.99 105.19 95.43 3huw n GLY 138 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3huw n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huw n GLY 147 N 0.00 0.53 3.30 -0.02 0.00 -1.26 -4.94 105.19 102.80 3huw n GLY 147 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3huw n GLY 147 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3huw n SER 148 N 0.00 2.74 -4.85 1.61 7.64 -1.22 -2.70 113.62 116.84 3huw n SER 148 Ca 0.00 -2.69 -0.25 0.00 1.01 0.00 0.00 58.87 56.94 3huw n SER 148 Cb 0.00 -1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 61.80 3huw n SER 148 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3huw s LYS 149 N 5.61 3.06 0.33 1.43 -2.85 -0.49 -4.78 119.74 122.06 3huw s LYS 149 Ca 0.62 -0.82 -0.27 0.00 -1.00 0.00 0.00 55.97 54.50 3huw s LYS 149 Cb 0.08 -2.73 -0.09 0.00 -2.06 0.00 0.00 37.83 33.03 3huw s LYS 149 CO 0.13 0.48 1.06 -2.14 0.10 0.00 0.00 175.35 174.98 3huw s PRO 150 N -3.25 4.45 -0.09 1.78 0.02 -1.26 -0.96 135.00 135.68 3huw s PRO 150 Ca 0.32 1.63 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 3huw s PRO 150 Cb -0.10 -2.89 0.04 0.00 0.02 0.00 0.00 34.50 31.56 3huw s PRO 150 CO 0.25 0.09 0.05 0.00 -0.33 0.00 0.00 177.00 177.06 3huw s ALA 151 N -1.40 0.46 -0.08 -1.55 0.00 0.40 -4.08 121.76 115.51 3huw s ALA 151 Ca 0.50 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 3huw s ALA 151 Cb -0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3huw s ALA 151 CO 0.33 -0.69 1.25 0.99 0.00 0.00 0.00 175.76 177.64 3huw s THR 152 N 2.09 4.18 0.49 0.00 2.01 -1.26 -0.59 115.64 122.56 3huw s THR 152 Ca 0.04 1.49 -0.05 0.00 0.31 0.00 0.00 61.69 63.48 3huw s THR 152 Cb -0.13 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 3huw s THR 152 CO -0.05 -0.04 0.79 -0.76 -0.69 0.00 0.00 174.62 173.87 3huw s LEU 153 N 2.62 3.60 0.63 4.42 2.01 0.18 -1.21 118.68 130.93 3huw s LEU 153 Ca 0.57 0.90 0.22 0.00 0.01 0.00 0.00 54.13 55.83 3huw s LEU 153 Cb -0.25 -3.85 1.08 0.00 0.01 0.00 0.00 46.19 43.18 3huw s LEU 153 CO 0.21 -0.61 1.58 1.05 1.01 0.00 0.00 176.35 179.59 3huw h GLU 154 N 0.20 0.00 -0.73 1.70 4.11 -1.42 0.61 114.58 119.05 3huw h GLU 154 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3huw h GLU 154 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3huw h GLU 154 CO 0.62 0.00 0.00 0.25 0.07 0.00 0.00 179.01 179.95 3huw n THR 155 N -3.08 1.77 0.00 -1.06 -2.24 -1.26 -4.92 114.28 103.49 3huw n THR 155 Ca 0.06 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3huw n THR 155 Cb 0.82 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3huw n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huw n GLY 156 N 0.42 2.37 3.68 3.38 0.00 0.21 -4.71 105.19 110.54 3huw n GLY 156 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3huw n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huw s ALA 157 N -0.39 1.33 0.11 4.61 0.00 -1.25 -4.62 121.76 121.54 3huw s ALA 157 Ca 0.00 0.17 0.10 0.00 0.00 0.00 0.00 51.96 52.24 3huw s ALA 157 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 3huw s ALA 157 CO 0.00 -2.60 -0.26 0.54 0.00 0.00 0.00 175.76 173.44 3huw s VAL 158 N -2.77 2.17 0.04 0.00 0.11 -1.26 0.48 120.40 119.16 3huw s VAL 158 Ca 0.65 -1.67 -0.05 0.00 -2.93 0.00 0.00 61.98 57.99 3huw s VAL 158 Cb -0.20 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3huw s VAL 158 CO 0.58 0.12 0.07 0.54 -3.33 0.00 0.00 175.10 173.09 3huw s VAL 159 N -1.03 0.14 -0.04 2.04 0.11 0.25 -4.89 120.40 116.97 3huw s VAL 159 Ca 0.13 -1.15 -0.23 0.00 -2.93 0.00 0.00 61.98 57.79 3huw s VAL 159 Cb -0.10 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3huw s VAL 159 CO 0.05 -0.63 0.70 -1.10 -3.33 0.00 0.00 175.10 170.79 3huw s GLN 160 N -2.66 4.44 0.29 1.54 -1.52 -1.26 0.15 119.66 120.63 3huw s GLN 160 Ca -0.05 0.90 0.04 0.00 -1.95 0.00 0.00 55.36 54.30 3huw s GLN 160 Cb -0.01 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.32 3huw s GLN 160 CO -0.05 0.12 0.24 0.14 -0.25 0.00 0.00 175.29 175.49 3huw s VAL 161 N 0.59 0.00 0.00 1.09 -7.23 -0.14 -3.62 120.40 111.09 3huw s VAL 161 Ca 0.37 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 3huw s VAL 161 Cb -0.18 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3huw s VAL 161 CO 0.19 0.00 0.00 -2.65 -0.31 0.00 0.00 175.10 172.33 3huw n PRO 162 N -0.50 1.61 0.00 4.82 -0.02 -1.25 -1.40 135.00 138.25 3huw n PRO 162 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 3huw n PRO 162 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 3huw n PRO 162 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3huw n LEU 163 N 0.00 0.84 -0.02 2.45 4.77 -1.10 -4.29 117.00 119.65 3huw n LEU 163 Ca 0.00 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.01 3huw n LEU 163 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3huw n LEU 163 CO 0.00 0.00 0.04 2.22 -1.33 0.00 0.00 177.39 178.32 3huw n PHE 164 N -0.15 0.01 -2.01 -1.77 1.16 -1.26 -3.98 117.46 109.47 3huw n PHE 164 Ca 0.00 0.01 -0.41 0.00 -1.87 0.00 0.00 57.45 55.18 3huw n PHE 164 Cb 0.00 -0.19 -0.03 0.00 -1.61 0.00 0.00 39.48 37.66 3huw n PHE 164 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3huw s VAL 165 N -3.39 3.44 0.29 1.97 -7.23 -1.26 -4.96 120.40 109.26 3huw s VAL 165 Ca -0.00 0.40 0.06 0.00 -1.81 0.00 0.00 61.98 60.63 3huw s VAL 165 Cb 0.01 -3.73 -0.06 0.00 0.56 0.00 0.00 36.38 33.16 3huw s VAL 165 CO 0.03 -0.55 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.61 3huw s GLU 166 N 6.12 1.58 0.07 4.82 0.41 -1.26 -4.90 118.70 125.54 3huw s GLU 166 Ca 0.76 -1.81 -0.23 0.00 -0.41 0.00 0.00 54.97 53.28 3huw s GLU 166 Cb -0.19 -1.16 -0.13 0.00 -1.78 0.00 0.00 34.13 30.88 3huw s GLU 166 CO 0.30 0.02 0.55 -2.30 -0.49 0.00 0.00 175.26 173.33 3huw n PRO 167 N -0.61 0.00 0.00 0.39 -0.02 -1.22 -1.14 135.00 132.39 3huw n PRO 167 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3huw n PRO 167 Cb 0.64 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3huw n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huw n GLY 168 N 1.19 2.77 3.68 -1.23 0.00 0.12 -5.00 105.19 106.73 3huw n GLY 168 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3huw n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huw s GLU 169 N -0.07 4.17 -0.08 1.61 2.12 -0.29 -4.58 118.70 121.59 3huw s GLU 169 Ca 0.00 2.46 -0.22 0.00 0.36 0.00 0.00 54.97 57.56 3huw s GLU 169 Cb 0.00 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3huw s GLU 169 CO 0.00 -0.82 0.65 0.08 -0.54 0.00 0.00 175.26 174.63 3huw s VAL 170 N 3.12 5.07 0.16 3.70 1.01 -1.26 -1.52 120.40 130.68 3huw s VAL 170 Ca 0.79 1.34 0.00 0.00 0.00 0.00 0.00 61.98 64.11 3huw s VAL 170 Cb -0.42 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 3huw s VAL 170 CO 0.35 0.27 0.02 2.30 0.00 0.00 0.00 175.10 178.04 3huw n ILE 171 N 3.74 0.00 -4.35 2.22 -5.35 0.96 -0.19 119.36 116.40 3huw n ILE 171 Ca -0.02 -0.80 -0.28 0.00 -0.27 0.00 0.00 62.75 61.37 3huw n ILE 171 Cb 0.51 0.20 -0.11 0.00 -1.74 0.00 0.00 39.64 38.51 3huw n ILE 171 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3huw s LYS 172 N -2.59 1.75 -0.22 6.28 1.02 -0.29 -0.56 119.74 125.15 3huw s LYS 172 Ca 0.02 -1.35 -0.07 0.00 0.02 0.00 0.00 55.97 54.59 3huw s LYS 172 Cb 0.00 -2.02 0.10 0.00 -0.52 0.00 0.00 37.83 35.39 3huw s LYS 172 CO 0.02 0.43 0.46 0.08 -0.92 0.00 0.00 175.35 175.42 3huw s VAL 173 N -1.52 -0.71 -0.20 3.17 1.01 -0.97 -2.42 120.40 118.76 3huw s VAL 173 Ca 0.21 0.14 -0.28 0.00 0.00 0.00 0.00 61.98 62.04 3huw s VAL 173 Cb -0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3huw s VAL 173 CO 0.11 0.06 2.10 -0.62 0.00 0.00 0.00 175.10 176.75 3huw s ASP 174 N 2.66 5.68 0.00 3.32 2.15 -0.82 -2.57 116.67 127.10 3huw s ASP 174 Ca -0.02 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.86 3huw s ASP 174 Cb -0.12 -2.52 0.03 0.00 -0.30 0.00 0.00 42.92 40.01 3huw s ASP 174 CO -0.14 -1.78 0.18 0.35 -0.17 0.00 0.00 175.17 173.62 3huw n THR 175 N 7.36 0.00 -0.04 1.71 -2.24 -1.26 0.14 114.28 119.95 3huw n THR 175 Ca 0.27 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 62.01 3huw n THR 175 Cb 0.45 -0.52 -0.07 0.00 -2.10 0.00 0.00 70.33 68.09 3huw n THR 175 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3huw n ARG 176 N -0.57 2.47 0.00 -0.78 5.12 -1.26 -4.64 116.66 117.00 3huw n ARG 176 Ca 0.00 -0.01 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 3huw n ARG 176 Cb 0.00 -1.22 -0.00 0.00 -1.16 0.00 0.00 32.46 30.08 3huw n ARG 176 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 3huw n THR 177 N -2.29 0.00 -2.48 0.55 -2.24 -0.50 -4.98 114.28 102.33 3huw n THR 177 Ca -0.13 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.07 3huw n THR 177 Cb 0.75 1.03 -0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3huw n THR 177 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huw n GLY 178 N 0.63 -0.50 3.84 3.38 0.00 0.38 -4.91 105.19 108.02 3huw n GLY 178 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3huw n GLY 178 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3huw s GLU 179 N -5.06 3.39 -0.16 1.61 2.02 -1.24 -4.56 118.70 114.71 3huw s GLU 179 Ca 0.01 -0.18 -0.31 0.00 0.02 0.00 0.00 54.97 54.52 3huw s GLU 179 Cb -0.01 -3.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 3huw s GLU 179 CO 0.02 0.75 2.10 0.98 0.02 0.00 0.00 175.26 179.13 3huw n TYR 180 N 2.05 2.10 -1.28 1.61 9.36 -1.24 -1.94 117.16 127.83 3huw n TYR 180 Ca -0.20 -0.10 -0.05 0.00 3.32 0.00 0.00 57.90 60.87 3huw n TYR 180 Cb 0.55 -2.70 0.22 0.00 -0.63 0.00 0.00 39.34 36.77 3huw n TYR 180 CO 0.00 0.00 0.00 1.33 0.22 0.00 0.00 176.86 178.41 3huw n VAL 181 N 6.68 2.65 0.00 2.97 0.24 -1.02 -4.95 118.33 124.90 3huw n VAL 181 Ca 0.28 -2.32 0.00 0.00 -2.04 0.00 0.00 64.34 60.26 3huw n VAL 181 Cb 0.38 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3huw n VAL 181 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3huw n GLY 182 N -0.90 0.61 3.98 7.63 0.00 -1.26 -4.87 105.19 110.38 3huw n GLY 182 Ca 0.36 -2.32 -0.19 0.00 0.00 0.00 0.00 46.02 43.87 3huw n GLY 182 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huw s ARG 183 N -0.98 2.56 0.00 1.61 0.52 -1.26 -1.13 118.95 120.26 3huw s ARG 183 Ca 0.00 -1.49 0.07 0.00 -0.52 0.00 0.00 55.73 53.78 3huw s ARG 183 Cb 0.00 -2.59 0.39 0.00 0.52 0.00 0.00 34.95 33.27 3huw s ARG 183 CO 0.00 -0.47 0.85 0.00 0.02 0.00 0.00 175.30 175.71