#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk6 s VAL 17 N 0.00 5.29 -1.14 1.39 1.01 0.45 -4.00 120.40 123.39 3hk6 s VAL 17 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.18 3hk6 s VAL 17 Cb 0.00 -3.56 0.10 0.00 0.00 0.00 0.00 36.38 32.92 3hk6 s VAL 17 CO 0.00 0.45 0.24 -0.62 0.00 0.00 0.00 175.10 175.17 3hk6 n GLU 18 N 1.41 -0.87 -2.30 2.72 1.02 -1.26 -2.28 120.64 119.08 3hk6 n GLU 18 Ca -0.13 0.08 -0.26 0.00 -0.02 0.00 0.00 57.16 56.83 3hk6 n GLU 18 Cb 0.53 -2.78 0.12 0.00 -0.02 0.00 0.00 31.44 29.29 3hk6 n GLU 18 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hk6 s GLY 19 N -3.00 1.75 0.33 0.62 0.00 -1.26 -4.57 107.32 101.20 3hk6 s GLY 19 Ca 0.34 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.72 3hk6 s GLY 19 CO 0.66 -0.79 0.06 0.66 0.00 0.00 0.00 173.10 173.68 3hk6 s TRP 20 N -3.39 2.01 0.50 1.90 -2.14 -0.06 -4.88 118.94 112.87 3hk6 s TRP 20 Ca 0.67 -0.94 -0.23 0.00 2.66 0.00 0.00 56.10 58.26 3hk6 s TRP 20 Cb -0.06 -1.32 -0.06 0.00 -3.10 0.00 0.00 33.47 28.92 3hk6 s TRP 20 CO 0.47 0.04 1.28 -0.51 -2.66 0.00 0.00 176.95 175.57 3hk6 s ASP 21 N -3.51 5.70 -0.09 -2.66 1.01 -1.26 -0.40 116.67 115.46 3hk6 s ASP 21 Ca 0.36 2.59 -0.22 0.00 0.71 0.00 0.00 52.55 55.99 3hk6 s ASP 21 Cb 0.09 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 3hk6 s ASP 21 CO 0.16 -1.26 0.64 0.00 0.21 0.00 0.00 175.17 174.92 3hk6 s ALA 22 N -1.39 3.39 0.17 5.23 0.00 -0.84 -4.74 121.76 123.58 3hk6 s ALA 22 Ca 0.67 0.01 -0.34 0.00 0.00 0.00 0.00 51.96 52.31 3hk6 s ALA 22 Cb -0.36 -2.88 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 3hk6 s ALA 22 CO 0.43 -0.12 1.49 0.39 0.00 0.00 0.00 175.76 177.94 3hk6 n GLU 23 N 3.89 1.94 -1.56 0.00 1.02 -1.26 -4.87 120.64 119.80 3hk6 n GLU 23 Ca -0.03 0.70 -0.52 0.00 -0.02 0.00 0.00 57.16 57.30 3hk6 n GLU 23 Cb 0.51 -2.41 -0.05 0.00 -0.02 0.00 0.00 31.44 29.47 3hk6 n GLU 23 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hk6 n LYS 24 N 2.88 0.91 0.00 3.49 4.01 -1.26 -0.63 118.16 127.56 3hk6 n LYS 24 Ca 0.16 0.32 0.00 0.00 -0.51 0.00 0.00 58.31 58.28 3hk6 n LYS 24 Cb 0.28 -1.84 0.00 0.00 -0.51 0.00 0.00 35.03 32.95 3hk6 n LYS 24 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hk6 n GLY 25 N 2.10 2.89 0.41 0.72 0.00 -1.26 -4.94 105.19 105.12 3hk6 n GLY 25 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 3hk6 n GLY 25 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hk6 h ILE 26 N 0.00 0.10 -1.92 -0.61 2.10 -1.22 -2.90 117.51 113.07 3hk6 h ILE 26 Ca 0.00 0.00 -0.37 0.00 1.08 0.00 0.00 64.86 65.57 3hk6 h ILE 26 Cb 0.00 0.32 -0.31 0.00 -1.09 0.00 0.00 36.82 35.74 3hk6 h ILE 26 CO 0.00 0.00 -0.70 0.00 -1.08 0.00 0.00 178.15 176.37 3hk6 s ALA 27 N -4.33 -0.38 0.32 0.18 0.00 -1.26 -5.01 121.76 111.28 3hk6 s ALA 27 Ca -0.03 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 50.91 3hk6 s ALA 27 Cb 0.11 -2.06 0.54 0.00 0.00 0.00 0.00 23.12 21.70 3hk6 s ALA 27 CO 0.36 -2.15 1.77 -1.35 0.00 0.00 0.00 175.76 174.40 3hk6 h PRO 28 N 6.80 0.32 -0.09 0.00 0.11 -1.73 -2.15 132.00 135.27 3hk6 h PRO 28 Ca 0.07 -0.12 0.02 0.00 0.11 0.00 0.00 66.00 66.09 3hk6 h PRO 28 Cb 1.05 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hk6 h PRO 28 CO 0.20 0.57 0.45 0.11 -0.21 0.00 0.00 178.00 179.12 3hk6 h TRP 29 N 0.29 0.00 -2.69 0.65 0.09 -1.78 -3.36 115.95 109.14 3hk6 h TRP 29 Ca 0.04 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.49 3hk6 h TRP 29 Cb 0.63 0.00 0.03 0.00 0.08 0.00 0.00 29.16 29.90 3hk6 h TRP 29 CO 0.01 0.00 0.99 -1.14 0.09 0.00 0.00 178.44 178.40 3hk6 s GLN 30 N -4.17 4.19 -0.07 0.12 2.00 -0.81 -1.85 119.66 119.07 3hk6 s GLN 30 Ca -0.03 2.38 0.05 0.00 -2.00 0.00 0.00 55.36 55.77 3hk6 s GLN 30 Cb 0.09 -3.50 -0.01 0.00 0.80 0.00 0.00 33.01 30.39 3hk6 s GLN 30 CO 0.28 -0.73 -0.24 0.08 -0.50 0.00 0.00 175.29 174.19 3hk6 s VAL 31 N 2.32 2.11 -0.02 1.34 1.01 0.14 -3.42 120.40 123.88 3hk6 s VAL 31 Ca 0.74 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.47 3hk6 s VAL 31 Cb -0.42 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 3hk6 s VAL 31 CO 0.33 0.57 0.64 -0.32 0.00 0.00 0.00 175.10 176.32 3hk6 s MET 32 N -0.05 4.38 -0.39 2.72 1.75 0.48 -1.49 119.30 126.69 3hk6 s MET 32 Ca -0.07 0.81 -0.11 0.00 -1.25 0.00 0.00 55.69 55.07 3hk6 s MET 32 Cb -0.15 -3.38 0.04 0.00 2.84 0.00 0.00 34.83 34.19 3hk6 s MET 32 CO 0.05 0.26 0.23 -1.17 -0.65 0.00 0.00 175.02 173.74 3hk6 s LEU 33 N 0.14 4.89 -0.03 4.11 0.20 -0.03 0.90 118.68 128.86 3hk6 s LEU 33 Ca 0.34 -1.12 -0.02 0.00 0.69 0.00 0.00 54.13 54.01 3hk6 s LEU 33 Cb -0.18 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.51 3hk6 s LEU 33 CO 0.18 -0.44 0.12 0.12 -0.29 0.00 0.00 176.35 176.04 3hk6 s PHE 34 N 1.54 3.41 0.06 5.38 5.99 -0.19 -1.12 117.98 133.05 3hk6 s PHE 34 Ca 0.02 0.30 -0.21 0.00 0.00 0.00 0.00 56.93 57.04 3hk6 s PHE 34 Cb -0.20 -1.80 -0.06 0.00 0.00 0.00 0.00 43.02 40.96 3hk6 s PHE 34 CO 0.06 0.60 0.64 0.50 -0.00 0.00 0.00 175.22 177.02 3hk6 s ARG 35 N -1.67 4.34 -0.02 10.12 3.52 -0.92 -2.06 118.95 132.26 3hk6 s ARG 35 Ca 0.23 0.85 -0.18 0.00 -0.13 0.00 0.00 55.73 56.50 3hk6 s ARG 35 Cb -0.12 -3.29 -0.10 0.00 -1.56 0.00 0.00 34.95 29.88 3hk6 s ARG 35 CO 0.14 0.50 0.76 0.87 -0.81 0.00 0.00 175.30 176.76 3hk6 h LYS 36 N 4.97 -0.63 -3.59 5.12 1.57 -1.35 -3.31 116.57 119.35 3hk6 h LYS 36 Ca -0.47 0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 3hk6 h LYS 36 Cb 1.21 0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.26 3hk6 h LYS 36 CO 0.67 -0.41 -0.77 0.45 -0.57 0.00 0.00 179.45 178.82 3hk6 s SER 36 N -4.81 3.05 0.45 0.86 0.15 -1.26 -3.51 113.70 108.63 3hk6 s SER 36 Ca -0.10 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.65 3hk6 s SER 36 Cb 0.01 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 3hk6 s SER 36 CO 0.29 -0.31 0.00 -0.81 1.20 0.00 0.00 173.24 173.61 3hk6 n PRO 37 N 5.01 -0.02 -3.91 5.44 -0.04 -1.26 -5.09 135.00 135.13 3hk6 n PRO 37 Ca -0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.03 3hk6 n PRO 37 Cb 0.47 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.79 3hk6 n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3hk6 s GLN 38 N -1.34 2.20 0.03 0.54 -0.21 -1.23 -4.57 119.66 115.08 3hk6 s GLN 38 Ca 0.00 -1.47 -0.00 0.00 0.02 0.00 0.00 55.36 53.91 3hk6 s GLN 38 Cb 0.00 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.74 3hk6 s GLN 38 CO 0.00 -0.75 -0.02 -1.83 -2.12 0.00 0.00 175.29 170.56 3hk6 s GLU 39 N 1.17 0.38 0.51 2.91 -1.05 -1.25 -4.97 118.70 116.40 3hk6 s GLU 39 Ca -0.01 -0.73 -0.22 0.00 -0.15 0.00 0.00 54.97 53.86 3hk6 s GLU 39 Cb -0.20 0.13 -0.06 0.00 -0.44 0.00 0.00 34.13 33.56 3hk6 s GLU 39 CO -0.03 -0.06 1.31 -1.17 0.95 0.00 0.00 175.26 176.26 3hk6 s LEU 40 N -1.75 3.92 0.00 1.83 0.20 -1.26 -2.16 118.68 119.45 3hk6 s LEU 40 Ca -0.11 2.66 0.00 0.00 0.69 0.00 0.00 54.13 57.37 3hk6 s LEU 40 Cb -0.06 -4.23 0.00 0.00 -0.43 0.00 0.00 46.19 41.46 3hk6 s LEU 40 CO -0.03 -1.37 0.00 0.18 -0.29 0.00 0.00 176.35 174.85 3hk6 n LEU 41 N -0.81 1.83 0.00 -0.68 4.77 -0.27 -4.85 117.00 116.99 3hk6 n LEU 41 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3hk6 n LEU 41 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3hk6 n LEU 41 CO 0.52 0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.88 3hk6 s GLY 43 N 0.00 1.59 -0.30 0.00 0.00 -0.82 -0.85 107.32 106.95 3hk6 s GLY 43 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 44.72 44.35 3hk6 s GLY 43 CO 0.00 0.35 1.15 0.00 0.00 0.00 0.00 173.10 174.60 3hk6 s ALA 44 N -2.94 -2.94 0.51 3.20 0.00 -0.56 -3.01 121.76 116.02 3hk6 s ALA 44 Ca 0.64 1.93 -0.16 0.00 0.00 0.00 0.00 51.96 54.38 3hk6 s ALA 44 Cb -0.18 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 3hk6 s ALA 44 CO 0.57 -0.87 0.98 -1.54 0.00 0.00 0.00 175.76 174.89 3hk6 s SER 45 N 2.08 6.61 -0.23 0.00 1.04 0.22 0.28 113.70 123.69 3hk6 s SER 45 Ca -0.02 1.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.92 3hk6 s SER 45 Cb -0.03 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.59 3hk6 s SER 45 CO -0.16 -0.59 -0.04 -0.22 0.98 0.00 0.00 173.24 173.21 3hk6 s LEU 46 N -4.09 3.02 0.05 2.42 2.96 -0.77 0.71 118.68 122.97 3hk6 s LEU 46 Ca 0.58 -0.51 0.23 0.00 -0.22 0.00 0.00 54.13 54.20 3hk6 s LEU 46 Cb -0.10 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.81 3hk6 s LEU 46 CO 0.32 -0.06 0.92 2.30 -1.32 0.00 0.00 176.35 178.51 3hk6 n ILE 47 N 4.78 0.19 -3.62 6.68 -5.35 -0.97 -0.82 119.36 120.24 3hk6 n ILE 47 Ca -0.18 -0.31 -0.04 0.00 -0.27 0.00 0.00 62.75 61.95 3hk6 n ILE 47 Cb 0.50 0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.52 3hk6 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3hk6 s SER 48 N -4.16 -0.09 0.00 7.28 1.04 -1.19 -4.53 113.70 112.05 3hk6 s SER 48 Ca 0.01 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3hk6 s SER 48 Cb 0.14 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.35 3hk6 s SER 48 CO 0.82 -0.13 0.06 -0.90 0.98 0.00 0.00 173.24 174.07 3hk6 n ASP 49 N 0.11 0.18 0.00 7.02 5.75 -1.26 -1.68 116.55 126.67 3hk6 n ASP 49 Ca 0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 3hk6 n ASP 49 Cb 0.58 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 3hk6 n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3hk6 n ARG 50 N 0.92 0.00 -4.72 0.11 3.00 -1.26 -2.13 116.66 112.58 3hk6 n ARG 50 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 3hk6 n ARG 50 Cb 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.37 3hk6 n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3hk6 s TRP 51 N -0.34 2.85 0.05 -0.14 0.52 -0.68 0.19 118.94 121.39 3hk6 s TRP 51 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.01 3hk6 s TRP 51 Cb 0.00 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 3hk6 s TRP 51 CO 0.00 0.22 -0.04 0.08 0.02 0.00 0.00 176.95 177.22 3hk6 s VAL 52 N -0.62 0.31 -0.05 4.03 1.01 0.34 -2.29 120.40 123.13 3hk6 s VAL 52 Ca 0.09 -1.48 0.05 0.00 0.00 0.00 0.00 61.98 60.64 3hk6 s VAL 52 Cb -0.11 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 3hk6 s VAL 52 CO 0.02 -0.76 -0.20 -0.22 0.00 0.00 0.00 175.10 173.94 3hk6 s LEU 53 N -2.35 1.98 0.18 3.92 2.96 0.22 0.03 118.68 125.62 3hk6 s LEU 53 Ca -0.01 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.33 3hk6 s LEU 53 Cb 0.00 -1.13 0.02 0.00 0.50 0.00 0.00 46.19 45.58 3hk6 s LEU 53 CO -0.05 0.20 0.45 0.28 -1.32 0.00 0.00 176.35 175.90 3hk6 s THR 54 N -0.08 0.04 0.26 3.68 -1.32 0.39 -0.61 115.64 117.99 3hk6 s THR 54 Ca -0.03 -0.91 -0.31 0.00 -1.21 0.00 0.00 61.69 59.24 3hk6 s THR 54 Cb -0.12 -1.59 -0.12 0.00 -1.51 0.00 0.00 72.50 69.16 3hk6 s THR 54 CO 0.03 -0.19 1.64 0.00 -2.21 0.00 0.00 174.62 173.88 3hk6 n ALA 55 N -0.29 2.60 -0.08 11.08 0.00 -1.25 0.12 120.51 132.69 3hk6 n ALA 55 Ca -0.10 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.72 3hk6 n ALA 55 Cb 0.63 -2.48 0.27 0.00 0.00 0.00 0.00 19.45 17.86 3hk6 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hk6 h ALA 56 N 5.56 1.38 -0.13 0.00 0.00 -1.69 -2.79 119.26 121.59 3hk6 h ALA 56 Ca -0.45 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.18 3hk6 h ALA 56 Cb 1.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hk6 h ALA 56 CO 0.86 0.46 -0.47 1.12 0.00 0.00 0.00 179.25 181.22 3hk6 h HIS 57 N 0.71 0.39 -0.36 0.00 2.07 -1.88 0.45 115.15 116.53 3hk6 h HIS 57 Ca 0.17 -0.12 0.10 0.00 -2.85 0.00 0.00 60.37 57.67 3hk6 h HIS 57 Cb 0.18 -0.08 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 3hk6 h HIS 57 CO 0.01 0.73 0.64 0.00 -3.07 0.00 0.00 177.93 176.24 3hk6 n ILE 59 N -3.22 1.10 -3.64 0.00 2.08 0.01 -4.90 119.36 110.79 3hk6 n ILE 59 Ca 0.07 -0.32 -0.28 0.00 0.56 0.00 0.00 62.75 62.78 3hk6 n ILE 59 Cb 0.78 -1.60 -0.11 0.00 -0.75 0.00 0.00 39.64 37.96 3hk6 n ILE 59 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 3hk6 s LEU 60 N -6.80 3.05 0.42 1.39 2.96 -0.40 -1.80 118.68 117.51 3hk6 s LEU 60 Ca -0.27 -3.43 0.05 0.00 -0.22 0.00 0.00 54.13 50.25 3hk6 s LEU 60 Cb 0.10 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 3hk6 s LEU 60 CO 0.38 -0.13 0.03 -0.47 -1.32 0.00 0.00 176.35 174.83 3hk6 s TYR 60 N -0.65 2.18 0.00 5.38 5.04 -0.37 -4.75 117.35 124.17 3hk6 s TYR 60 Ca 0.29 -0.85 0.00 0.00 -2.44 0.00 0.00 57.07 54.06 3hk6 s TYR 60 Cb -0.01 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.71 3hk6 s TYR 60 CO -0.18 0.24 0.00 -0.35 -1.34 0.00 0.00 175.55 173.93 3hk6 n PRO 60 N -0.99 0.00 -0.17 4.97 -0.04 -1.26 0.73 135.00 138.23 3hk6 n PRO 60 Ca -0.08 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.43 3hk6 n PRO 60 Cb 0.67 0.00 0.13 0.00 -0.04 0.00 0.00 33.50 34.26 3hk6 n PRO 60 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3hk6 n TRP 60 N 0.00 0.39 -2.34 0.54 8.01 -1.26 -5.01 117.44 117.78 3hk6 n TRP 60 Ca 0.00 -0.64 -0.07 0.00 -1.31 0.00 0.00 57.50 55.48 3hk6 n TRP 60 Cb 0.00 -0.11 0.03 0.00 -2.01 0.00 0.00 31.31 29.23 3hk6 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3hk6 n ASP 60 N -0.19 -4.03 -3.77 -0.99 8.00 -1.11 -5.06 116.55 109.40 3hk6 n ASP 60 Ca 0.11 -0.33 -0.28 0.00 0.71 0.00 0.00 54.79 55.01 3hk6 n ASP 60 Cb 0.50 -2.69 -0.16 0.00 -0.02 0.00 0.00 41.12 38.75 3hk6 n ASP 60 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3hk6 s LYS 60 N -3.71 0.80 -0.30 -1.24 1.02 0.22 -4.90 119.74 111.63 3hk6 s LYS 60 Ca 0.20 -0.46 0.19 0.00 0.02 0.00 0.00 55.97 55.92 3hk6 s LYS 60 Cb -0.03 -2.09 0.47 0.00 -0.52 0.00 0.00 37.83 35.67 3hk6 s LYS 60 CO 0.34 -0.60 1.24 -1.71 -0.92 0.00 0.00 175.35 173.70 3hk6 n ASN 60 N 5.01 0.44 -4.62 2.83 2.85 -1.20 -1.23 115.26 119.33 3hk6 n ASN 60 Ca -0.09 -2.17 -0.37 0.00 -0.11 0.00 0.00 54.58 51.83 3hk6 n ASN 60 Cb 0.47 -0.05 0.06 0.00 1.24 0.00 0.00 39.78 41.50 3hk6 n ASN 60 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3hk6 n PHE 60 N -0.84 0.88 -4.34 1.20 3.72 -0.74 -5.02 117.46 112.32 3hk6 n PHE 60 Ca -0.01 0.43 -0.17 0.00 -0.05 0.00 0.00 57.45 57.64 3hk6 n PHE 60 Cb 0.83 -2.14 -0.10 0.00 -0.94 0.00 0.00 39.48 37.13 3hk6 n PHE 60 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hk6 s THR 60 N -1.54 0.78 0.42 4.37 -4.23 -1.26 -4.89 115.64 109.29 3hk6 s THR 60 Ca 0.77 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.51 3hk6 s THR 60 Cb -0.40 -2.57 0.43 0.00 1.34 0.00 0.00 72.50 71.31 3hk6 s THR 60 CO 0.46 -0.11 1.72 1.05 -0.54 0.00 0.00 174.62 177.20 3hk6 h GLU 61 N 2.38 0.25 0.00 3.99 9.09 -1.93 0.98 114.58 129.35 3hk6 h GLU 61 Ca -0.39 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.01 3hk6 h GLU 61 Cb 1.24 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3hk6 h GLU 61 CO 0.63 0.17 0.00 -0.91 0.05 0.00 0.00 179.01 178.95 3hk6 h ASN 62 N 0.26 0.00 0.67 3.06 -0.26 -1.96 -3.25 115.58 114.10 3hk6 h ASN 62 Ca 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.42 3hk6 h ASN 62 Cb 1.93 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.19 3hk6 h ASN 62 CO -0.33 0.00 -0.67 0.47 -1.06 0.00 0.00 177.43 175.84 3hk6 n ASP 63 N -2.49 0.62 -4.20 5.81 8.00 0.34 -4.96 116.55 119.66 3hk6 n ASP 63 Ca 0.03 -0.06 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 3hk6 n ASP 63 Cb 0.32 0.31 -0.12 0.00 -0.02 0.00 0.00 41.12 41.62 3hk6 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hk6 s LEU 64 N -3.79 2.30 0.48 0.64 1.43 -1.23 -0.87 118.68 117.65 3hk6 s LEU 64 Ca 0.07 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3hk6 s LEU 64 Cb 0.15 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 3hk6 s LEU 64 CO 0.73 -0.06 0.01 -0.76 0.23 0.00 0.00 176.35 176.50 3hk6 s LEU 65 N -1.88 2.43 -0.03 1.79 1.43 -0.88 -4.26 118.68 117.28 3hk6 s LEU 65 Ca 0.01 -1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 51.47 3hk6 s LEU 65 Cb -0.09 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3hk6 s LEU 65 CO 0.03 -0.75 0.13 0.68 0.23 0.00 0.00 176.35 176.67 3hk6 s VAL 66 N -2.85 0.03 -0.13 -1.59 -7.23 -1.12 -1.02 120.40 106.49 3hk6 s VAL 66 Ca 0.14 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 60.04 3hk6 s VAL 66 Cb 0.04 -0.29 0.02 0.00 0.56 0.00 0.00 36.38 36.72 3hk6 s VAL 66 CO 0.07 -0.15 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.48 3hk6 s ARG 67 N -0.47 1.80 -0.10 4.82 0.52 0.26 -1.88 118.95 123.90 3hk6 s ARG 67 Ca -0.06 -0.36 -0.02 0.00 -0.52 0.00 0.00 55.73 54.77 3hk6 s ARG 67 Cb -0.04 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 3hk6 s ARG 67 CO 0.01 -0.26 -0.03 0.42 0.02 0.00 0.00 175.30 175.46 3hk6 s ILE 68 N 1.63 4.03 -1.23 1.52 1.01 -0.90 -0.39 121.20 126.88 3hk6 s ILE 68 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3hk6 s ILE 68 Cb -0.13 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3hk6 s ILE 68 CO -0.09 0.57 0.80 0.61 0.00 0.00 0.00 174.94 176.83 3hk6 n GLY 69 N 2.56 -0.52 3.95 6.18 0.00 -1.22 -2.54 105.19 113.60 3hk6 n GLY 69 Ca -0.18 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 3hk6 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk6 s LYS 70 N -5.62 3.45 0.00 1.61 1.02 -1.26 -3.80 119.74 115.13 3hk6 s LYS 70 Ca 0.13 -0.60 0.00 0.00 0.02 0.00 0.00 55.97 55.52 3hk6 s LYS 70 Cb -0.03 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.34 3hk6 s LYS 70 CO 0.79 0.49 0.00 1.58 -0.92 0.00 0.00 175.35 177.29 3hk6 n HIS 71 N -0.72 0.00 -1.43 3.18 -0.00 -1.26 -4.84 115.22 110.14 3hk6 n HIS 71 Ca -0.07 0.00 -0.50 0.00 -0.00 0.00 0.00 57.72 57.15 3hk6 n HIS 71 Cb 0.54 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.46 3hk6 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hk6 n SER 72 N -1.04 1.82 -0.28 0.26 2.88 -1.26 -1.44 113.62 114.55 3hk6 n SER 72 Ca 0.00 0.34 0.31 0.00 -1.33 0.00 0.00 58.87 58.19 3hk6 n SER 72 Cb 0.00 -1.22 0.48 0.00 -0.75 0.00 0.00 64.21 62.72 3hk6 n SER 72 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hk6 n ARG 73 N 8.22 0.01 0.00 -1.46 0.63 0.16 -3.84 116.66 120.39 3hk6 n ARG 73 Ca 0.45 1.01 0.00 0.00 -0.92 0.00 0.00 57.85 58.39 3hk6 n ARG 73 Cb 0.21 -2.48 0.00 0.00 0.45 0.00 0.00 32.46 30.63 3hk6 n ARG 73 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3hk6 n THR 74 N -3.30 0.00 -1.34 5.15 -2.24 -1.26 -5.02 114.28 106.27 3hk6 n THR 74 Ca 0.26 0.00 -0.52 0.00 -2.27 0.00 0.00 64.05 61.52 3hk6 n THR 74 Cb 1.57 -0.01 -0.13 0.00 -2.10 0.00 0.00 70.33 69.67 3hk6 n THR 74 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hk6 n ARG 75 N -0.55 0.00 -1.73 -0.78 0.63 -1.25 -4.72 116.66 108.26 3hk6 n ARG 75 Ca 0.00 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.71 3hk6 n ARG 75 Cb 0.00 -1.49 -0.06 0.00 0.45 0.00 0.00 32.46 31.37 3hk6 n ARG 75 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 3hk6 s TYR 76 N 7.13 1.35 -0.41 -0.14 6.14 -1.26 -4.81 117.35 125.35 3hk6 s TYR 76 Ca 1.25 1.49 -0.27 0.00 0.64 0.00 0.00 57.07 60.18 3hk6 s TYR 76 Cb -1.39 -3.66 -0.03 0.00 0.42 0.00 0.00 41.96 37.29 3hk6 s TYR 76 CO 0.59 -1.79 1.96 -1.21 0.64 0.00 0.00 175.55 175.74 3hk6 s GLU 77 N 8.18 2.94 0.52 4.97 2.02 -1.26 -4.93 118.70 131.14 3hk6 s GLU 77 Ca 0.85 1.30 -0.19 0.00 0.02 0.00 0.00 54.97 56.96 3hk6 s GLU 77 Cb -0.12 -4.33 -0.07 0.00 0.10 0.00 0.00 34.13 29.72 3hk6 s GLU 77 CO 0.09 -2.33 1.05 1.03 0.02 0.00 0.00 175.26 175.11 3hk6 s ARG 77 N 6.50 3.63 -1.74 1.61 0.52 -1.26 -2.83 118.95 125.38 3hk6 s ARG 77 Ca 0.82 1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 57.33 3hk6 s ARG 77 Cb -0.21 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.19 3hk6 s ARG 77 CO 0.29 -0.56 0.16 0.09 0.02 0.00 0.00 175.30 175.30 3hk6 n ASN 78 N -1.34 -6.00 0.05 0.23 3.02 -1.26 -4.67 115.26 105.29 3hk6 n ASN 78 Ca 0.09 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3hk6 n ASN 78 Cb 0.53 -4.96 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 3hk6 n ASN 78 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hk6 n VAL 79 N -4.15 0.00 -2.61 2.41 0.31 -1.25 -5.10 118.33 107.94 3hk6 n VAL 79 Ca -0.21 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.71 3hk6 n VAL 79 Cb 0.67 -0.06 -0.05 0.00 -0.91 0.00 0.00 33.84 33.50 3hk6 n VAL 79 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3hk6 s GLU 80 N -1.25 4.74 0.03 5.55 -1.05 -1.13 -4.85 118.70 120.73 3hk6 s GLU 80 Ca 0.00 1.65 0.08 0.00 -0.15 0.00 0.00 54.97 56.55 3hk6 s GLU 80 Cb 0.00 -3.24 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 3hk6 s GLU 80 CO 0.00 0.34 -0.21 0.15 0.95 0.00 0.00 175.26 176.49 3hk6 s LYS 81 N -1.23 2.03 -0.48 -4.83 -0.14 -1.05 -4.91 119.74 109.12 3hk6 s LYS 81 Ca 0.43 -0.99 -0.11 0.00 -1.36 0.00 0.00 55.97 53.93 3hk6 s LYS 81 Cb -0.29 -2.13 0.12 0.00 -1.68 0.00 0.00 37.83 33.85 3hk6 s LYS 81 CO 0.36 0.54 0.38 0.42 -0.76 0.00 0.00 175.35 176.30 3hk6 s ILE 82 N -0.85 4.55 0.18 2.17 -1.09 -1.26 -2.12 121.20 122.78 3hk6 s ILE 82 Ca 0.13 -1.62 -0.14 0.00 -2.23 0.00 0.00 60.65 56.79 3hk6 s ILE 82 Cb -0.10 -3.93 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 3hk6 s ILE 82 CO 0.03 -0.76 0.58 -0.55 -1.23 0.00 0.00 174.94 173.01 3hk6 s SER 83 N 2.87 6.81 0.18 3.58 0.15 -0.79 -4.94 113.70 121.56 3hk6 s SER 83 Ca 0.05 1.09 -0.09 0.00 0.70 0.00 0.00 55.95 57.70 3hk6 s SER 83 Cb -0.27 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 3hk6 s SER 83 CO 0.01 0.05 0.48 -0.04 1.20 0.00 0.00 173.24 174.94 3hk6 s MET 84 N -2.18 3.76 -0.16 5.44 -1.94 -1.26 -2.81 119.30 120.15 3hk6 s MET 84 Ca 0.41 0.17 -0.18 0.00 -1.71 0.00 0.00 55.69 54.38 3hk6 s MET 84 Cb -0.14 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 33.90 3hk6 s MET 84 CO 0.20 0.40 0.48 -0.51 -0.01 0.00 0.00 175.02 175.57 3hk6 s LEU 85 N -2.61 4.22 -0.05 -0.03 1.43 -1.26 -1.60 118.68 118.77 3hk6 s LEU 85 Ca 0.43 0.72 -0.01 0.00 -1.03 0.00 0.00 54.13 54.25 3hk6 s LEU 85 Cb -0.12 -2.67 -0.26 0.00 0.03 0.00 0.00 46.19 43.17 3hk6 s LEU 85 CO 0.22 -0.07 0.63 -0.08 0.23 0.00 0.00 176.35 177.28 3hk6 h GLU 86 N 7.05 0.20 -1.80 1.70 4.81 -0.89 -3.44 114.58 122.21 3hk6 h GLU 86 Ca -0.38 -0.35 0.05 0.00 -0.13 0.00 0.00 59.36 58.55 3hk6 h GLU 86 Cb 1.17 0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.47 3hk6 h GLU 86 CO 0.75 1.01 0.45 0.21 -0.73 0.00 0.00 179.01 180.70 3hk6 s LYS 87 N -2.59 0.75 -0.21 1.92 2.20 -1.12 -4.97 119.74 115.73 3hk6 s LYS 87 Ca -0.13 0.09 -0.03 0.00 -0.36 0.00 0.00 55.97 55.54 3hk6 s LYS 87 Cb 0.07 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.74 3hk6 s LYS 87 CO 0.82 -0.25 -0.07 0.42 -0.36 0.00 0.00 175.35 175.91 3hk6 s ILE 88 N -1.49 3.20 -0.22 5.43 1.01 -1.26 -0.80 121.20 127.08 3hk6 s ILE 88 Ca -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 3hk6 s ILE 88 Cb -0.00 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3hk6 s ILE 88 CO 0.02 0.44 0.01 -0.31 0.00 0.00 0.00 174.94 175.11 3hk6 s TYR 89 N 1.37 3.04 -0.19 3.97 1.51 0.14 -4.99 117.35 122.20 3hk6 s TYR 89 Ca 0.05 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 3hk6 s TYR 89 Cb -0.14 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.56 3hk6 s TYR 89 CO -0.04 -0.33 -0.06 0.08 -1.11 0.00 0.00 175.55 174.10 3hk6 s VAL 90 N 1.27 3.44 0.09 0.71 1.01 -1.26 -0.49 120.40 125.17 3hk6 s VAL 90 Ca 0.04 -0.49 -0.36 0.00 0.00 0.00 0.00 61.98 61.16 3hk6 s VAL 90 Cb -0.15 -2.53 -0.17 0.00 0.00 0.00 0.00 36.38 33.54 3hk6 s VAL 90 CO 0.01 0.46 1.27 1.57 0.00 0.00 0.00 175.10 178.42 3hk6 n HIS 91 N 4.23 1.36 1.16 5.22 -0.00 -1.15 -4.74 115.22 121.30 3hk6 n HIS 91 Ca -0.18 0.70 0.13 0.00 0.46 0.00 0.00 57.72 58.82 3hk6 n HIS 91 Cb 0.52 -2.29 0.36 0.00 -0.12 0.00 0.00 29.99 28.46 3hk6 n HIS 91 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3hk6 n PRO 92 N 2.27 0.47 0.00 1.57 -0.02 -1.26 -2.08 135.00 135.95 3hk6 n PRO 92 Ca 0.18 -0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3hk6 n PRO 92 Cb 0.19 -1.49 0.29 0.00 -0.02 0.00 0.00 33.50 32.47 3hk6 n PRO 92 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3hk6 n ARG 93 N -1.04 0.13 -1.94 -0.52 0.63 -1.26 -4.76 116.66 107.89 3hk6 n ARG 93 Ca 0.10 -0.07 -0.42 0.00 -0.92 0.00 0.00 57.85 56.53 3hk6 n ARG 93 Cb 0.34 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 31.72 3hk6 n ARG 93 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 3hk6 s TYR 94 N -2.92 1.83 -0.18 -0.14 5.04 -0.89 -4.96 117.35 115.12 3hk6 s TYR 94 Ca 0.13 0.18 -0.00 0.00 -2.44 0.00 0.00 57.07 54.94 3hk6 s TYR 94 Cb 0.18 -3.99 0.05 0.00 0.35 0.00 0.00 41.96 38.55 3hk6 s TYR 94 CO 0.66 -3.97 -0.05 1.21 -1.34 0.00 0.00 175.55 172.07 3hk6 s ASN 95 N 4.07 3.06 0.00 4.32 2.47 -1.26 -4.97 114.94 122.62 3hk6 s ASN 95 Ca 0.77 -0.79 0.21 0.00 0.42 0.00 0.00 52.86 53.48 3hk6 s ASN 95 Cb -0.33 -0.94 1.03 0.00 -1.45 0.00 0.00 41.25 39.56 3hk6 s ASN 95 CO 0.32 -0.20 1.67 -2.67 -3.72 0.00 0.00 177.10 172.49 3hk6 n TRP 96 N 4.85 0.00 0.01 0.43 4.27 -1.26 -2.56 117.44 123.18 3hk6 n TRP 96 Ca -0.12 0.00 -0.18 0.00 -3.89 0.00 0.00 57.50 53.31 3hk6 n TRP 96 Cb 0.47 -0.32 -0.11 0.00 -1.36 0.00 0.00 31.31 29.99 3hk6 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hk6 h ARG 97 N 0.00 0.48 0.00 -2.67 3.08 -1.97 -3.42 114.38 109.88 3hk6 h ARG 97 Ca 0.00 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3hk6 h ARG 97 Cb 0.22 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hk6 h ARG 97 CO 0.00 1.15 0.00 0.39 -1.07 0.00 0.00 179.97 180.44 3hk6 n GLU 97 N -4.14 0.00 -1.14 0.04 -0.58 -1.06 -5.10 120.64 108.66 3hk6 n GLU 97 Ca -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3hk6 n GLU 97 Cb 0.71 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 31.15 3hk6 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3hk6 n ASN 98 N -0.37 0.00 -0.30 1.62 0.23 -1.24 -5.04 115.26 110.15 3hk6 n ASN 98 Ca 0.00 -0.83 0.07 0.00 -0.53 0.00 0.00 54.58 53.29 3hk6 n ASN 98 Cb 0.00 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.01 3hk6 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3hk6 n LEU 99 N 0.00 0.88 -4.69 -4.53 4.77 -1.26 -4.70 117.00 107.47 3hk6 n LEU 99 Ca 0.00 -0.40 -0.44 0.00 -0.03 0.00 0.00 56.01 55.14 3hk6 n LEU 99 Cb 0.00 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3hk6 n LEU 99 CO 0.00 0.20 1.08 -0.67 -1.33 0.00 0.00 177.39 176.67 3hk6 n ASP 100 N -0.13 3.04 -3.31 -1.43 4.64 -1.26 -2.19 116.55 115.90 3hk6 n ASP 100 Ca 0.12 1.14 -0.24 0.00 -1.38 0.00 0.00 54.79 54.43 3hk6 n ASP 100 Cb 0.18 -1.47 0.05 0.00 -1.04 0.00 0.00 41.12 38.84 3hk6 n ASP 100 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3hk6 n ARG 101 N 2.14 -5.84 -2.30 -0.67 1.74 -1.26 -4.59 116.66 105.89 3hk6 n ARG 101 Ca 0.11 0.82 -0.35 0.00 -0.77 0.00 0.00 57.85 57.67 3hk6 n ARG 101 Cb 0.33 -5.74 -0.04 0.00 -1.02 0.00 0.00 32.46 25.99 3hk6 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hk6 s ASP 102 N -2.95 5.83 -0.02 0.55 2.15 -0.93 -4.59 116.67 116.71 3hk6 s ASP 102 Ca 0.44 -1.79 -0.05 0.00 0.43 0.00 0.00 52.55 51.57 3hk6 s ASP 102 Cb -0.20 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.85 3hk6 s ASP 102 CO 0.54 -2.20 0.11 -0.51 -0.17 0.00 0.00 175.17 172.93 3hk6 s ILE 103 N 7.89 0.04 -0.14 4.11 2.07 -1.26 -3.97 121.20 129.94 3hk6 s ILE 103 Ca 0.61 -0.35 -0.09 0.00 -1.41 0.00 0.00 60.65 59.40 3hk6 s ILE 103 Cb 0.00 -0.28 0.05 0.00 0.13 0.00 0.00 42.46 42.36 3hk6 s ILE 103 CO 0.07 -0.19 0.35 0.00 -1.91 0.00 0.00 174.94 173.26 3hk6 s ALA 104 N -0.63 -0.87 -0.11 1.50 0.00 0.33 -2.93 121.76 119.05 3hk6 s ALA 104 Ca -0.07 1.22 -0.01 0.00 0.00 0.00 0.00 51.96 53.10 3hk6 s ALA 104 Cb -0.04 -0.74 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3hk6 s ALA 104 CO 0.01 -0.22 -0.06 -0.51 0.00 0.00 0.00 175.76 174.98 3hk6 s LEU 105 N 0.97 3.15 -0.09 0.00 1.43 0.36 -0.46 118.68 124.04 3hk6 s LEU 105 Ca -0.06 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 3hk6 s LEU 105 Cb -0.07 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.44 3hk6 s LEU 105 CO -0.07 0.27 -0.16 -0.76 0.23 0.00 0.00 176.35 175.85 3hk6 s LEU 106 N -0.24 1.78 -0.25 1.79 1.43 0.10 0.23 118.68 123.53 3hk6 s LEU 106 Ca 0.03 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 3hk6 s LEU 106 Cb -0.13 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 3hk6 s LEU 106 CO 0.03 0.06 0.21 -0.75 0.23 0.00 0.00 176.35 176.13 3hk6 s LYS 107 N 0.70 4.05 0.59 1.70 2.20 0.02 -0.50 119.74 128.50 3hk6 s LYS 107 Ca -0.13 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.12 3hk6 s LYS 107 Cb -0.16 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3hk6 s LYS 107 CO 0.03 -0.03 1.09 -0.51 -0.36 0.00 0.00 175.35 175.57 3hk6 s LEU 108 N 1.32 3.56 0.27 5.43 1.43 0.13 -0.32 118.68 130.51 3hk6 s LEU 108 Ca 0.10 1.96 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3hk6 s LEU 108 Cb -0.14 -4.55 0.39 0.00 0.03 0.00 0.00 46.19 41.91 3hk6 s LEU 108 CO 0.07 -1.27 1.70 0.11 0.23 0.00 0.00 176.35 177.19 3hk6 h LYS 109 N 0.63 0.48 -4.13 1.70 1.57 -1.59 -3.40 116.57 111.83 3hk6 h LYS 109 Ca -0.48 -0.19 -0.48 0.00 -1.87 0.00 0.00 60.65 57.63 3hk6 h LYS 109 Cb 1.24 -0.02 -0.36 0.00 0.08 0.00 0.00 32.23 33.16 3hk6 h LYS 109 CO 0.56 0.71 -0.79 0.15 -0.57 0.00 0.00 179.45 179.52 3hk6 s LYS 110 N -4.44 1.23 -0.21 3.15 1.02 -1.26 -5.03 119.74 114.19 3hk6 s LYS 110 Ca -0.07 -0.17 -0.34 0.00 0.02 0.00 0.00 55.97 55.41 3hk6 s LYS 110 Cb 0.14 -1.29 -0.11 0.00 -0.52 0.00 0.00 37.83 36.05 3hk6 s LYS 110 CO 0.79 -0.19 2.02 -0.35 -0.92 0.00 0.00 175.35 176.70 3hk6 n PRO 111 N 4.64 1.72 -1.99 -1.68 -0.04 -1.25 -4.88 135.00 131.51 3hk6 n PRO 111 Ca -0.15 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.46 3hk6 n PRO 111 Cb 0.50 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 3hk6 n PRO 111 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hk6 s VAL 112 N 5.71 2.83 0.27 0.52 0.11 -0.91 -4.98 120.40 123.96 3hk6 s VAL 112 Ca 1.00 0.56 -0.30 0.00 -2.93 0.00 0.00 61.98 60.32 3hk6 s VAL 112 Cb -0.72 -3.36 -0.10 0.00 -1.53 0.00 0.00 36.38 30.67 3hk6 s VAL 112 CO 0.50 0.04 1.40 -2.84 -3.33 0.00 0.00 175.10 170.86 3hk6 s PRO 113 N 1.33 4.29 0.25 1.54 0.02 -1.26 -4.74 135.00 136.44 3hk6 s PRO 113 Ca 0.69 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.83 3hk6 s PRO 113 Cb -0.42 -3.10 -0.08 0.00 0.02 0.00 0.00 34.50 30.92 3hk6 s PRO 113 CO 0.31 -0.35 0.67 -0.06 -0.33 0.00 0.00 177.00 177.24 3hk6 s PHE 114 N -0.35 3.50 0.01 6.54 0.08 -1.26 -4.80 117.98 121.70 3hk6 s PHE 114 Ca 0.56 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.79 3hk6 s PHE 114 Cb -0.41 -2.48 -0.00 0.00 -0.57 0.00 0.00 43.02 39.56 3hk6 s PHE 114 CO 0.46 0.25 0.01 -1.13 -0.10 0.00 0.00 175.22 174.71 3hk6 n SER 115 N 0.20 -0.01 0.00 1.36 3.41 -0.66 -4.93 113.62 112.98 3hk6 n SER 115 Ca -0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 3hk6 n SER 115 Cb 0.52 0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 3hk6 n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hk6 n ASP 116 N -2.85 0.00 0.00 4.04 8.00 -1.26 -3.02 116.55 121.46 3hk6 n ASP 116 Ca 0.00 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3hk6 n ASP 116 Cb 0.01 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3hk6 n ASP 116 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hk6 n TYR 117 N -1.37 0.00 -4.17 1.24 4.01 -1.26 -4.75 117.16 110.87 3hk6 n TYR 117 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3hk6 n TYR 117 Cb 0.02 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.91 3hk6 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hk6 s ILE 118 N -0.64 2.87 -0.30 -0.72 1.01 -1.17 -4.05 121.20 118.21 3hk6 s ILE 118 Ca 0.00 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.81 3hk6 s ILE 118 Cb 0.00 -2.26 0.17 0.00 0.01 0.00 0.00 42.46 40.38 3hk6 s ILE 118 CO 0.00 0.48 1.07 -2.28 0.00 0.00 0.00 174.94 174.21 3hk6 s HIS 119 N 1.19 -0.47 1.03 3.97 2.46 -1.26 -1.66 115.29 120.55 3hk6 s HIS 119 Ca 0.02 0.86 -0.11 0.00 0.47 0.00 0.00 55.06 56.29 3hk6 s HIS 119 Cb -0.14 0.28 0.20 0.00 -0.13 0.00 0.00 32.58 32.79 3hk6 s HIS 119 CO -0.04 -0.23 1.04 -0.35 -2.47 0.00 0.00 174.74 172.69 3hk6 n PRO 120 N 4.24 -1.29 -3.88 2.88 -0.04 -1.26 -2.83 135.00 132.82 3hk6 n PRO 120 Ca -0.13 -0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 62.66 3hk6 n PRO 120 Cb 0.55 -2.26 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 3hk6 n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hk6 s VAL 121 N -2.53 5.44 0.87 0.52 0.11 -0.00 -4.76 120.40 120.05 3hk6 s VAL 121 Ca 0.67 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.60 3hk6 s VAL 121 Cb -0.24 -3.50 0.11 0.00 -1.53 0.00 0.00 36.38 31.23 3hk6 s VAL 121 CO 0.61 0.43 1.11 0.00 -3.33 0.00 0.00 175.10 173.92 3hk6 s LEU 123 N -6.01 2.44 0.41 0.00 1.02 -1.26 -2.74 118.68 112.55 3hk6 s LEU 123 Ca 0.63 -0.87 -0.25 0.00 0.02 0.00 0.00 54.13 53.66 3hk6 s LEU 123 Cb -0.16 -0.64 -0.08 0.00 0.02 0.00 0.00 46.19 45.34 3hk6 s LEU 123 CO 0.55 -0.13 1.16 -2.16 0.02 0.00 0.00 176.35 175.79 3hk6 s PRO 124 N -2.92 4.00 0.09 1.29 0.04 -1.26 -4.95 135.00 131.30 3hk6 s PRO 124 Ca 0.13 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.02 3hk6 s PRO 124 Cb -0.04 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3hk6 s PRO 124 CO 0.04 -0.36 0.04 0.16 0.04 0.00 0.00 177.00 176.92 3hk6 s ASP 125 N -1.20 5.23 0.42 6.66 3.84 -1.26 -4.84 116.67 125.51 3hk6 s ASP 125 Ca 0.58 -0.12 0.26 0.00 -0.00 0.00 0.00 52.55 53.27 3hk6 s ASP 125 Cb -0.30 -1.31 1.32 0.00 -1.38 0.00 0.00 42.92 41.26 3hk6 s ASP 125 CO 0.37 0.17 1.66 0.50 -0.00 0.00 0.00 175.17 177.86 3hk6 h LYS 126 N 3.31 0.16 -0.12 2.11 3.64 -1.99 1.09 116.57 124.77 3hk6 h LYS 126 Ca -0.47 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 58.94 3hk6 h LYS 126 Cb 1.17 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.89 3hk6 h LYS 126 CO 0.62 0.11 -0.42 0.37 -2.27 0.00 0.00 179.45 177.86 3hk6 h GLN 127 N 0.17 -0.48 0.31 1.90 5.75 -2.01 -2.91 115.11 117.83 3hk6 h GLN 127 Ca 0.77 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 59.28 3hk6 h GLN 127 Cb 2.26 0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.92 3hk6 h GLN 127 CO -0.43 -0.32 -0.15 0.00 -2.65 0.00 0.00 178.83 175.29 3hk6 h THR 128 N -0.49 0.71 -0.39 2.39 1.03 0.85 -2.93 112.91 114.08 3hk6 h THR 128 Ca 0.07 -0.49 0.07 0.00 -0.01 0.00 0.00 66.41 66.05 3hk6 h THR 128 Cb 0.63 0.96 -0.07 0.00 -1.07 0.00 0.00 68.15 68.60 3hk6 h THR 128 CO -0.39 0.10 -0.13 0.52 -0.01 0.00 0.00 175.52 175.60 3hk6 n VAL 129 N -5.16 -0.19 0.07 0.00 0.31 -0.96 -0.92 118.33 111.49 3hk6 n VAL 129 Ca -0.10 0.90 -0.13 0.00 -0.01 0.00 0.00 64.34 65.00 3hk6 n VAL 129 Cb 0.25 -1.21 -0.13 0.00 -0.91 0.00 0.00 33.84 31.84 3hk6 n VAL 129 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hk6 h THR 129 N 0.00 1.44 0.00 2.52 1.35 -1.32 0.15 112.91 117.05 3hk6 h THR 129 Ca 0.15 -3.09 -0.20 0.00 -0.55 0.00 0.00 66.41 62.73 3hk6 h THR 129 Cb 0.25 2.83 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 3hk6 h THR 129 CO -0.39 0.87 -0.94 0.77 -0.25 0.00 0.00 175.52 175.58 3hk6 h SER 129 N 0.04 0.00 0.00 5.36 4.64 -1.38 -3.41 113.55 118.81 3hk6 h SER 129 Ca -0.13 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.99 3hk6 h SER 129 Cb 1.92 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.97 3hk6 h SER 129 CO 0.16 0.94 -1.99 0.18 -0.87 0.00 0.00 176.83 175.26 3hk6 n LEU 129 N -3.36 0.00 -4.06 5.97 4.77 -0.09 -4.76 117.00 115.47 3hk6 n LEU 129 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3hk6 n LEU 129 Cb 0.91 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.28 3hk6 n LEU 129 CO 0.46 0.27 1.53 -0.11 -1.33 0.00 0.00 177.39 178.21 3hk6 n LEU 130 N -2.44 6.21 -4.39 2.23 7.94 0.53 -4.86 117.00 122.23 3hk6 n LEU 130 Ca -0.19 -4.79 -0.32 0.00 -1.11 0.00 0.00 56.01 49.60 3hk6 n LEU 130 Cb 0.84 -1.46 -0.15 0.00 0.53 0.00 0.00 43.42 43.19 3hk6 n LEU 130 CO 0.34 1.33 -0.51 -0.13 -1.11 0.00 0.00 177.39 177.31 3hk6 s ARG 131 N -0.35 2.36 -0.48 1.96 0.52 -1.26 -4.91 118.95 116.80 3hk6 s ARG 131 Ca 0.37 -0.81 -0.45 0.00 -0.52 0.00 0.00 55.73 54.33 3hk6 s ARG 131 Cb 0.04 -2.23 -0.19 0.00 0.52 0.00 0.00 34.95 33.09 3hk6 s ARG 131 CO 0.02 0.57 1.59 0.00 0.02 0.00 0.00 175.30 177.50 3hk6 n ALA 132 N 2.42 -1.17 0.00 2.13 0.00 -1.26 -0.50 120.51 122.14 3hk6 n ALA 132 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3hk6 n ALA 132 Cb 0.52 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3hk6 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hk6 n GLY 133 N 4.16 2.99 3.76 0.00 0.00 0.10 -4.91 105.19 111.27 3hk6 n GLY 133 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 3hk6 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hk6 s TYR 134 N -2.46 3.06 0.22 1.61 1.51 0.34 -4.53 117.35 117.11 3hk6 s TYR 134 Ca 0.00 1.24 -0.14 0.00 -1.01 0.00 0.00 57.07 57.16 3hk6 s TYR 134 Cb 0.00 -3.72 -0.08 0.00 -0.11 0.00 0.00 41.96 38.05 3hk6 s TYR 134 CO 0.00 -2.16 0.61 0.15 -1.11 0.00 0.00 175.55 173.04 3hk6 s LYS 135 N -1.03 3.97 -0.03 -0.62 1.02 -1.26 -0.68 119.74 121.11 3hk6 s LYS 135 Ca 0.54 0.52 -0.03 0.00 0.02 0.00 0.00 55.97 57.02 3hk6 s LYS 135 Cb -0.40 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.17 3hk6 s LYS 135 CO 0.47 0.36 0.08 0.20 -0.92 0.00 0.00 175.35 175.55 3hk6 s GLY 136 N -2.00 -0.03 -0.15 -3.33 0.00 0.43 -4.84 107.32 97.40 3hk6 s GLY 136 Ca 0.44 0.14 -0.22 0.00 0.00 0.00 0.00 44.72 45.09 3hk6 s GLY 136 CO 0.20 0.09 0.66 -1.60 0.00 0.00 0.00 173.10 172.45 3hk6 s ARG 137 N -0.22 4.29 -0.10 2.90 3.52 0.57 -0.46 118.95 129.45 3hk6 s ARG 137 Ca -0.03 0.73 0.03 0.00 -0.13 0.00 0.00 55.73 56.33 3hk6 s ARG 137 Cb -0.02 -3.53 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 3hk6 s ARG 137 CO 0.00 -0.14 -0.20 0.08 -0.81 0.00 0.00 175.30 174.22 3hk6 s VAL 138 N 1.56 2.39 -0.02 7.11 1.01 0.11 -0.85 120.40 131.72 3hk6 s VAL 138 Ca 0.32 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3hk6 s VAL 138 Cb -0.16 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3hk6 s VAL 138 CO 0.12 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 176.01 3hk6 s THR 139 N 0.27 1.48 -0.14 3.92 -4.23 -1.25 -0.51 115.64 115.17 3hk6 s THR 139 Ca -0.14 -0.80 -0.34 0.00 -1.18 0.00 0.00 61.69 59.23 3hk6 s THR 139 Cb -0.17 -1.23 0.13 0.00 1.34 0.00 0.00 72.50 72.58 3hk6 s THR 139 CO 0.07 0.42 1.25 -0.83 -0.54 0.00 0.00 174.62 174.99 3hk6 s GLY 140 N -0.40 -0.33 -0.46 3.99 0.00 0.17 -4.55 107.32 105.75 3hk6 s GLY 140 Ca 0.06 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.16 3hk6 s GLY 140 CO -0.00 0.41 1.82 0.79 0.00 0.00 0.00 173.10 176.11 3hk6 n TRP 141 N -0.21 2.68 -1.77 1.90 8.01 -1.26 -1.53 117.44 125.27 3hk6 n TRP 141 Ca -0.02 -2.08 -0.31 0.00 -1.31 0.00 0.00 57.50 53.78 3hk6 n TRP 141 Cb 0.60 -0.94 0.03 0.00 -2.01 0.00 0.00 31.31 28.98 3hk6 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hk6 s GLY 142 N -1.79 1.66 0.63 6.99 0.00 -1.26 -4.71 107.32 108.83 3hk6 s GLY 142 Ca 0.56 -0.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.05 3hk6 s GLY 142 CO 0.06 0.24 1.23 -1.31 0.00 0.00 0.00 173.10 173.31 3hk6 s ASN 143 N -4.06 4.92 0.11 1.64 -0.87 -1.26 -1.70 114.94 113.73 3hk6 s ASN 143 Ca 0.56 2.43 0.25 0.00 -1.57 0.00 0.00 52.86 54.54 3hk6 s ASN 143 Cb -0.12 -2.60 0.53 0.00 -0.02 0.00 0.00 41.25 39.04 3hk6 s ASN 143 CO 0.54 -1.78 1.48 0.18 -2.57 0.00 0.00 177.10 174.95 3hk6 n LEU 144 N -1.83 0.65 -3.53 0.60 4.77 -0.15 -2.01 117.00 115.50 3hk6 n LEU 144 Ca 0.14 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 3hk6 n LEU 144 Cb 0.49 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3hk6 n LEU 144 CO 0.45 -0.05 0.73 0.00 -1.33 0.00 0.00 177.39 177.19 3hk6 s ARG 145 N -3.12 0.74 0.00 3.23 1.70 -1.26 -4.62 118.95 115.62 3hk6 s ARG 145 Ca 0.08 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 3hk6 s ARG 145 Cb 0.14 0.34 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 3hk6 s ARG 145 CO 0.68 -0.31 0.00 -0.85 -1.08 0.00 0.00 175.30 173.74 3hk6 n GLU 146 N -0.02 0.00 -0.04 3.89 0.00 -1.26 -4.79 120.64 118.43 3hk6 n GLU 146 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.12 3hk6 n GLU 146 Cb 0.61 0.00 0.19 0.00 0.00 0.00 0.00 31.44 32.23 3hk6 n GLU 146 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 3hk6 n THR 147 N 0.00 0.10 -3.63 3.84 -2.24 -1.26 -4.87 114.28 106.22 3hk6 n THR 147 Ca 0.00 -0.11 -0.29 0.00 -2.27 0.00 0.00 64.05 61.38 3hk6 n THR 147 Cb 0.00 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.11 3hk6 n THR 147 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3hk6 s TRP 148 N -1.90 1.72 0.00 4.78 0.51 -1.26 -4.88 118.94 117.90 3hk6 s TRP 148 Ca 0.13 -2.32 0.00 0.00 -2.12 0.00 0.00 56.10 51.79 3hk6 s TRP 148 Cb 0.06 -1.61 0.00 0.00 -0.81 0.00 0.00 33.47 31.12 3hk6 s TRP 148 CO 0.10 -0.78 0.00 -2.37 -0.51 0.00 0.00 176.95 173.39 3hk6 n THR 149 N 3.41 0.00 -4.41 2.01 5.66 -1.26 -5.11 114.28 114.58 3hk6 n THR 149 Ca 0.13 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.85 3hk6 n THR 149 Cb 0.37 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 68.98 3hk6 n THR 149 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3hk6 s ASN 149 N 0.00 2.46 -0.30 1.09 3.84 -1.26 -5.05 114.94 115.72 3hk6 s ASN 149 Ca 0.00 -0.43 -0.41 0.00 0.21 0.00 0.00 52.86 52.23 3hk6 s ASN 149 Cb 0.00 -1.09 -0.16 0.00 -0.55 0.00 0.00 41.25 39.45 3hk6 s ASN 149 CO 0.00 0.01 1.75 -0.38 -2.79 0.00 0.00 177.10 175.69 3hk6 n ILE 149 N 4.26 0.29 0.00 -5.21 -0.00 -1.26 0.10 119.36 117.55 3hk6 n ILE 149 Ca -0.19 -0.05 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 3hk6 n ILE 149 Cb 0.51 -1.19 0.00 0.00 -0.00 0.00 0.00 39.64 38.96 3hk6 n ILE 149 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3hk6 n ASN 149 N 5.39 0.00 -4.33 4.38 3.02 -1.26 -4.97 115.26 117.49 3hk6 n ASN 149 Ca 0.27 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.64 3hk6 n ASN 149 Cb 0.12 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.37 3hk6 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hk6 n GLU 149 N 0.00 0.31 -0.73 3.52 1.02 0.29 -4.55 120.64 120.49 3hk6 n GLU 149 Ca 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 3hk6 n GLU 149 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3hk6 n GLU 149 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3hk6 n ILE 150 N -2.37 0.00 -3.51 -3.67 -5.35 -1.25 -4.64 119.36 98.56 3hk6 n ILE 150 Ca 0.14 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.34 3hk6 n ILE 150 Cb 0.51 -0.73 -0.12 0.00 -1.74 0.00 0.00 39.64 37.55 3hk6 n ILE 150 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3hk6 s GLN 151 N -1.47 0.88 0.65 6.28 -0.21 -1.26 -0.97 119.66 123.56 3hk6 s GLN 151 Ca 0.00 -1.77 -0.18 0.00 0.02 0.00 0.00 55.36 53.43 3hk6 s GLN 151 Cb 0.00 -1.64 -0.15 0.00 1.00 0.00 0.00 33.01 32.22 3hk6 s GLN 151 CO 0.00 -1.25 -0.33 -0.35 -2.12 0.00 0.00 175.29 171.24 3hk6 n PRO 152 N 3.52 0.00 -0.04 2.91 -0.04 -1.26 -4.87 135.00 135.22 3hk6 n PRO 152 Ca 0.16 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 3hk6 n PRO 152 Cb 0.39 -1.00 -0.14 0.00 -0.04 0.00 0.00 33.50 32.72 3hk6 n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3hk6 n SER 153 N 2.80 0.44 -4.61 3.54 3.41 -1.26 -4.76 113.62 113.18 3hk6 n SER 153 Ca 0.05 0.20 -0.27 0.00 -0.26 0.00 0.00 58.87 58.59 3hk6 n SER 153 Cb 0.50 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 64.96 3hk6 n SER 153 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hk6 s VAL 154 N -2.74 2.16 0.38 -3.33 -7.23 -1.26 0.39 120.40 108.77 3hk6 s VAL 154 Ca -0.07 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 57.83 3hk6 s VAL 154 Cb 0.08 -2.88 -0.12 0.00 0.56 0.00 0.00 36.38 34.02 3hk6 s VAL 154 CO 0.83 -0.07 1.01 -0.11 -0.31 0.00 0.00 175.10 176.45 3hk6 n LEU 155 N -0.95 2.38 -4.44 1.32 7.94 -0.52 -4.76 117.00 117.97 3hk6 n LEU 155 Ca -0.05 1.08 -0.31 0.00 -1.11 0.00 0.00 56.01 55.62 3hk6 n LEU 155 Cb 0.65 -1.34 -0.13 0.00 0.53 0.00 0.00 43.42 43.13 3hk6 n LEU 155 CO 0.47 -1.45 -0.50 -1.10 -1.11 0.00 0.00 177.39 173.70 3hk6 s GLN 156 N -1.88 2.05 -0.05 1.96 -1.52 -0.58 -1.98 119.66 117.66 3hk6 s GLN 156 Ca 0.61 -0.99 0.05 0.00 -1.95 0.00 0.00 55.36 53.09 3hk6 s GLN 156 Cb -0.59 -2.16 -0.01 0.00 -0.22 0.00 0.00 33.01 30.03 3hk6 s GLN 156 CO 0.58 0.54 -0.20 0.08 -0.25 0.00 0.00 175.29 176.04 3hk6 s VAL 157 N -0.90 1.68 -0.22 1.09 1.01 0.46 0.46 120.40 123.99 3hk6 s VAL 157 Ca 0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3hk6 s VAL 157 Cb -0.10 -1.43 0.09 0.00 0.00 0.00 0.00 36.38 34.94 3hk6 s VAL 157 CO 0.05 0.47 0.49 0.54 0.00 0.00 0.00 175.10 176.65 3hk6 s VAL 158 N -0.07 -0.50 0.29 2.92 0.11 0.33 -0.89 120.40 122.60 3hk6 s VAL 158 Ca -0.03 0.10 -0.20 0.00 -2.93 0.00 0.00 61.98 58.92 3hk6 s VAL 158 Cb -0.12 -0.76 -0.09 0.00 -1.53 0.00 0.00 36.38 33.88 3hk6 s VAL 158 CO 0.03 0.04 0.79 0.20 -3.33 0.00 0.00 175.10 172.83 3hk6 s ASN 159 N 2.27 7.02 -0.08 3.54 0.01 -1.26 -0.71 114.94 125.72 3hk6 s ASN 159 Ca -0.05 1.49 -0.05 0.00 -0.71 0.00 0.00 52.86 53.53 3hk6 s ASN 159 Cb -0.10 -2.45 0.03 0.00 0.41 0.00 0.00 41.25 39.14 3hk6 s ASN 159 CO -0.15 -0.10 0.20 -0.76 -1.51 0.00 0.00 177.10 174.79 3hk6 s LEU 160 N -2.40 0.84 0.48 0.60 1.43 0.40 -4.86 118.68 115.16 3hk6 s LEU 160 Ca 0.49 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 3hk6 s LEU 160 Cb -0.14 0.63 -0.07 0.00 0.03 0.00 0.00 46.19 46.63 3hk6 s LEU 160 CO 0.20 -0.12 1.41 -2.16 0.23 0.00 0.00 176.35 175.90 3hk6 s PRO 161 N 0.73 3.54 0.37 1.29 0.04 -1.26 -0.43 135.00 139.27 3hk6 s PRO 161 Ca -0.05 2.36 -0.24 0.00 0.04 0.00 0.00 61.00 63.11 3hk6 s PRO 161 Cb -0.07 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.83 3hk6 s PRO 161 CO -0.04 -0.92 0.96 0.42 0.04 0.00 0.00 177.00 177.46 3hk6 s ILE 162 N -1.23 4.18 -0.05 0.56 1.01 0.14 -1.21 121.20 124.60 3hk6 s ILE 162 Ca 0.64 1.65 0.01 0.00 0.00 0.00 0.00 60.65 62.95 3hk6 s ILE 162 Cb -0.43 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 3hk6 s ILE 162 CO 0.54 -0.01 -0.05 -0.69 0.00 0.00 0.00 174.94 174.73 3hk6 s VAL 163 N -1.78 3.85 0.13 2.92 1.01 0.18 -0.72 120.40 125.99 3hk6 s VAL 163 Ca 0.55 -0.49 -0.34 0.00 0.00 0.00 0.00 61.98 61.69 3hk6 s VAL 163 Cb -0.16 -2.61 -0.14 0.00 0.00 0.00 0.00 36.38 33.46 3hk6 s VAL 163 CO 0.21 0.55 1.55 -0.62 0.00 0.00 0.00 175.10 176.79 3hk6 n GLU 164 N 2.02 1.95 -0.33 2.72 1.02 -1.26 -4.56 120.64 122.21 3hk6 n GLU 164 Ca -0.17 0.71 0.11 0.00 -0.02 0.00 0.00 57.16 57.78 3hk6 n GLU 164 Cb 0.53 -2.45 0.32 0.00 -0.02 0.00 0.00 31.44 29.81 3hk6 n GLU 164 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hk6 h ARG 165 N 5.84 0.78 -0.09 3.49 2.43 -1.97 -1.24 114.38 123.63 3hk6 h ARG 165 Ca -0.46 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3hk6 h ARG 165 Cb 1.27 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3hk6 h ARG 165 CO 0.87 0.52 0.01 -1.35 -1.51 0.00 0.00 179.97 178.51 3hk6 h PRO 166 N 0.81 0.15 -0.74 0.20 0.11 -1.98 -1.65 132.00 128.89 3hk6 h PRO 166 Ca 0.51 -0.04 0.16 0.00 0.11 0.00 0.00 66.00 66.74 3hk6 h PRO 166 Cb 0.74 -0.02 -0.13 0.00 0.11 0.00 0.00 31.00 31.70 3hk6 h PRO 166 CO -0.29 0.36 -0.08 0.28 -0.21 0.00 0.00 178.00 178.07 3hk6 h VAL 167 N -0.09 0.31 0.25 3.15 2.07 -1.61 0.24 116.25 120.58 3hk6 h VAL 167 Ca 0.03 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hk6 h VAL 167 Cb 0.29 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3hk6 h VAL 167 CO 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 177.57 177.48 3hk6 n LYS 169 N -3.62 -0.07 -0.23 0.00 5.02 -0.62 0.30 118.16 118.94 3hk6 n LYS 169 Ca -0.04 1.24 -0.00 0.00 -2.02 0.00 0.00 58.31 57.48 3hk6 n LYS 169 Cb 0.13 -1.86 0.22 0.00 -0.02 0.00 0.00 35.03 33.51 3hk6 n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hk6 h ALA 170 N 1.59 1.41 0.00 7.82 0.00 -0.60 -3.12 119.26 126.36 3hk6 h ALA 170 Ca 0.39 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hk6 h ALA 170 Cb 0.61 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hk6 h ALA 170 CO -0.81 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 177.83 3hk6 n SER 171 N -4.40 0.00 -3.66 0.00 3.41 0.88 -4.82 113.62 105.03 3hk6 n SER 171 Ca 0.08 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.88 3hk6 n SER 171 Cb 0.05 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.53 3hk6 n SER 171 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hk6 s THR 172 N -2.79 0.04 -1.91 6.66 -4.23 -1.18 -4.67 115.64 107.56 3hk6 s THR 172 Ca 0.06 -0.33 0.30 0.00 -1.18 0.00 0.00 61.69 60.54 3hk6 s THR 172 Cb 0.06 -0.83 0.66 0.00 1.34 0.00 0.00 72.50 73.73 3hk6 s THR 172 CO 0.14 -0.18 2.01 0.54 -0.54 0.00 0.00 174.62 176.59 3hk6 n ARG 173 N 0.92 0.95 -2.65 3.99 5.12 -1.26 -4.80 116.66 118.93 3hk6 n ARG 173 Ca -0.20 -0.24 -0.41 0.00 -1.93 0.00 0.00 57.85 55.07 3hk6 n ARG 173 Cb 0.58 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.34 3hk6 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3hk6 s ILE 174 N -2.22 4.33 -0.20 0.55 1.09 -1.26 -5.01 121.20 118.49 3hk6 s ILE 174 Ca 0.38 1.92 -0.29 0.00 -1.10 0.00 0.00 60.65 61.56 3hk6 s ILE 174 Cb 0.21 -4.23 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 3hk6 s ILE 174 CO 0.41 0.29 1.70 -0.13 -0.10 0.00 0.00 174.94 177.11 3hk6 s ARG 175 N 0.03 3.75 -0.77 2.79 0.52 -1.26 -4.93 118.95 119.09 3hk6 s ARG 175 Ca 0.49 1.77 -0.25 0.00 -0.52 0.00 0.00 55.73 57.21 3hk6 s ARG 175 Cb -0.25 -4.08 0.04 0.00 0.52 0.00 0.00 34.95 31.18 3hk6 s ARG 175 CO 0.31 -1.35 1.23 0.42 0.02 0.00 0.00 175.30 175.93 3hk6 s ILE 176 N 5.45 3.90 0.76 1.52 -1.09 -1.26 -4.91 121.20 125.57 3hk6 s ILE 176 Ca 0.76 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 59.09 3hk6 s ILE 176 Cb -0.27 -4.89 0.04 0.00 -1.58 0.00 0.00 42.46 35.77 3hk6 s ILE 176 CO 0.31 -1.78 1.09 0.42 -1.23 0.00 0.00 174.94 173.75 3hk6 s THR 177 N 5.19 3.35 0.10 2.92 -4.23 -1.26 -4.88 115.64 116.83 3hk6 s THR 177 Ca 0.34 0.44 0.08 0.00 -1.18 0.00 0.00 61.69 61.36 3hk6 s THR 177 Cb -0.09 -3.25 0.12 0.00 1.34 0.00 0.00 72.50 70.62 3hk6 s THR 177 CO 0.10 -0.57 0.34 0.47 -0.54 0.00 0.00 174.62 174.42 3hk6 n ASP 178 N -3.27 0.04 -1.13 3.99 8.00 -1.26 -2.27 116.55 120.66 3hk6 n ASP 178 Ca 0.07 0.30 0.07 0.00 0.71 0.00 0.00 54.79 55.94 3hk6 n ASP 178 Cb 0.56 -0.15 0.28 0.00 -0.02 0.00 0.00 41.12 41.80 3hk6 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hk6 n ASN 179 N -3.01 4.16 -4.15 -2.24 3.02 -1.26 -4.96 115.26 106.82 3hk6 n ASN 179 Ca 0.09 -3.06 -0.10 0.00 -0.03 0.00 0.00 54.58 51.48 3hk6 n ASN 179 Cb 0.35 -0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 3hk6 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hk6 s MET 180 N -2.86 0.78 0.36 3.52 -1.94 -0.96 -1.56 119.30 116.64 3hk6 s MET 180 Ca 0.45 -1.31 0.04 0.00 -1.71 0.00 0.00 55.69 53.16 3hk6 s MET 180 Cb 0.36 -0.08 -0.03 0.00 2.01 0.00 0.00 34.83 37.10 3hk6 s MET 180 CO 0.10 -0.05 0.17 -0.59 -0.01 0.00 0.00 175.02 174.63 3hk6 s PHE 181 N -3.72 1.72 -0.05 -0.03 -0.12 0.17 -4.73 117.98 111.22 3hk6 s PHE 181 Ca 0.11 -1.38 0.06 0.00 -0.05 0.00 0.00 56.93 55.67 3hk6 s PHE 181 Cb 0.06 -0.97 -0.01 0.00 -0.63 0.00 0.00 43.02 41.47 3hk6 s PHE 181 CO -0.06 -0.48 -0.22 0.00 -0.05 0.00 0.00 175.22 174.41 3hk6 s ALA 183 N -0.18 1.73 0.00 0.00 0.00 -0.22 0.50 121.76 123.59 3hk6 s ALA 183 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3hk6 s ALA 183 Cb -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3hk6 s ALA 183 CO 0.02 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.51 3hk6 n GLY 184 N 3.08 1.33 3.84 0.00 0.00 -0.35 -1.99 105.19 111.10 3hk6 n GLY 184 Ca -0.18 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 3hk6 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hk6 s PHE 184 N -2.00 3.17 0.20 1.61 0.40 -1.26 -4.28 117.98 115.82 3hk6 s PHE 184 Ca 0.00 1.25 -0.31 0.00 -0.60 0.00 0.00 56.93 57.26 3hk6 s PHE 184 Cb 0.00 -2.96 -0.15 0.00 0.51 0.00 0.00 43.02 40.42 3hk6 s PHE 184 CO 0.00 -1.27 1.11 1.63 0.70 0.00 0.00 175.22 177.39 3hk6 n LYS 185 N -3.12 1.18 -0.32 0.44 5.02 -1.26 -4.81 118.16 115.29 3hk6 n LYS 185 Ca 0.07 0.42 0.17 0.00 -2.02 0.00 0.00 58.31 56.95 3hk6 n LYS 185 Cb 0.55 -1.88 0.35 0.00 -0.02 0.00 0.00 35.03 34.03 3hk6 n LYS 185 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3hk6 h VAL 186 N 2.46 0.12 -0.25 -0.18 -1.51 -1.95 0.30 116.25 115.25 3hk6 h VAL 186 Ca -0.42 -0.03 -0.08 0.00 -1.23 0.00 0.00 66.70 64.95 3hk6 h VAL 186 Cb 1.34 0.04 -0.05 0.00 -2.13 0.00 0.00 31.29 30.49 3hk6 h VAL 186 CO 0.68 0.01 0.10 -3.20 -1.23 0.00 0.00 177.57 173.93 3hk6 n ASN 186 N -5.35 2.86 -4.97 4.19 4.05 -1.26 -4.97 115.26 109.80 3hk6 n ASN 186 Ca 0.25 -2.40 -0.21 0.00 0.45 0.00 0.00 54.58 52.68 3hk6 n ASN 186 Cb 0.83 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 41.26 3hk6 n ASN 186 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3hk6 s ASP 186 N -0.01 5.93 0.09 1.20 -1.08 0.11 -5.04 116.67 117.86 3hk6 s ASP 186 Ca 0.18 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.47 3hk6 s ASP 186 Cb 0.14 -1.39 -0.02 0.00 -1.46 0.00 0.00 42.92 40.19 3hk6 s ASP 186 CO 0.04 -0.53 0.95 0.35 0.52 0.00 0.00 175.17 176.50 3hk6 n THR 186 N -1.82 0.30 -0.89 1.71 -2.24 -1.26 -4.79 114.28 105.30 3hk6 n THR 186 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3hk6 n THR 186 Cb 0.58 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3hk6 n THR 186 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hk6 n LYS 186 N -2.27 2.93 0.00 -0.78 5.02 -1.26 -5.10 118.16 116.70 3hk6 n LYS 186 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hk6 n LYS 186 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3hk6 n LYS 186 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hk6 n ARG 187 N 0.00 0.57 0.00 1.97 1.74 -1.26 -5.10 116.66 114.58 3hk6 n ARG 187 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hk6 n ARG 187 Cb 0.00 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 3hk6 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hk6 n GLY 188 N 0.00 0.00 3.18 -0.13 0.00 -1.25 -4.83 105.19 102.16 3hk6 n GLY 188 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3hk6 n GLY 188 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hk6 n ASP 189 N 0.00 -1.60 -4.65 1.61 -0.08 -0.96 -4.61 116.55 106.25 3hk6 n ASP 189 Ca 0.00 -1.95 -0.31 0.00 -1.51 0.00 0.00 54.79 51.03 3hk6 n ASP 189 Cb 0.00 2.63 -0.09 0.00 2.34 0.00 0.00 41.12 46.00 3hk6 n ASP 189 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hk6 s ALA 190 N -1.87 3.18 0.29 -1.67 0.00 -1.26 -0.41 121.76 120.00 3hk6 s ALA 190 Ca 0.17 -1.11 0.12 0.00 0.00 0.00 0.00 51.96 51.14 3hk6 s ALA 190 Cb -0.03 -1.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3hk6 s ALA 190 CO 0.06 0.67 -0.18 0.00 0.00 0.00 0.00 175.76 176.32 3hk6 n GLU 192 N -0.66 -0.10 -0.15 0.00 4.07 -1.26 0.26 120.64 122.80 3hk6 n GLU 192 Ca -0.05 0.90 0.12 0.00 -0.06 0.00 0.00 57.16 58.07 3hk6 n GLU 192 Cb 0.60 -1.34 0.45 0.00 -0.06 0.00 0.00 31.44 31.09 3hk6 n GLU 192 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3hk6 h GLY 193 N 0.00 0.78 2.00 8.31 0.00 -1.90 0.11 103.07 112.38 3hk6 h GLY 193 Ca 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3hk6 h GLY 193 CO -0.59 0.12 -0.05 -0.55 0.00 0.00 0.00 176.54 175.47 3hk6 h ASP 194 N 0.53 0.00 -2.19 0.19 3.32 0.33 -3.21 116.42 115.40 3hk6 h ASP 194 Ca 0.33 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.76 3hk6 h ASP 194 Cb 0.58 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.20 3hk6 h ASP 194 CO -0.11 0.05 0.53 -1.20 -1.72 0.00 0.00 179.24 176.79 3hk6 n SER 195 N -3.19 2.24 0.00 6.45 7.64 0.39 -2.42 113.62 124.74 3hk6 n SER 195 Ca -0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3hk6 n SER 195 Cb 0.29 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 3hk6 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hk6 n GLY 196 N 2.49 1.65 1.79 0.23 0.00 -0.54 -1.94 105.19 108.87 3hk6 n GLY 196 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3hk6 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hk6 n GLY 197 N -0.04 -0.61 3.58 -0.02 0.00 -1.01 -3.08 105.19 104.00 3hk6 n GLY 197 Ca 0.00 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.84 3hk6 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hk6 s PRO 198 N -4.10 3.83 -0.10 1.61 0.04 -1.26 -0.92 135.00 134.09 3hk6 s PRO 198 Ca 0.33 -0.26 -0.30 0.00 0.04 0.00 0.00 61.00 60.82 3hk6 s PRO 198 Cb -0.01 -3.71 -0.02 0.00 0.04 0.00 0.00 34.50 30.80 3hk6 s PRO 198 CO 0.23 -0.32 1.20 0.12 0.04 0.00 0.00 177.00 178.27 3hk6 s PHE 199 N 1.92 3.10 0.01 0.56 2.19 -1.18 -3.81 117.98 120.77 3hk6 s PHE 199 Ca 0.11 1.18 0.01 0.00 0.33 0.00 0.00 56.93 58.55 3hk6 s PHE 199 Cb -0.16 -3.43 -0.01 0.00 -1.31 0.00 0.00 43.02 38.11 3hk6 s PHE 199 CO 0.11 -1.34 -0.03 0.08 1.83 0.00 0.00 175.22 175.86 3hk6 s VAL 200 N 2.67 0.22 0.06 3.12 1.01 -0.03 -2.11 120.40 125.33 3hk6 s VAL 200 Ca 0.54 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3hk6 s VAL 200 Cb -0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 3hk6 s VAL 200 CO 0.19 -0.07 -0.13 -0.04 0.00 0.00 0.00 175.10 175.04 3hk6 s MET 201 N -0.42 0.81 -0.24 2.72 -1.94 -0.55 -0.31 119.30 119.36 3hk6 s MET 201 Ca -0.03 -0.84 -0.10 0.00 -1.71 0.00 0.00 55.69 53.01 3hk6 s MET 201 Cb -0.03 -0.79 -0.05 0.00 2.01 0.00 0.00 34.83 35.97 3hk6 s MET 201 CO -0.00 0.18 0.15 0.21 -0.01 0.00 0.00 175.02 175.55 3hk6 s LYS 202 N -1.48 4.03 0.12 2.03 2.20 -1.26 -0.07 119.74 125.32 3hk6 s LYS 202 Ca -0.02 -0.29 -0.30 0.00 -0.36 0.00 0.00 55.97 55.00 3hk6 s LYS 202 Cb -0.09 -3.52 -0.07 0.00 -1.51 0.00 0.00 37.83 32.64 3hk6 s LYS 202 CO 0.02 0.04 1.15 0.45 -0.36 0.00 0.00 175.35 176.64 3hk6 s SER 203 N 1.11 7.17 0.00 1.43 0.15 1.00 -4.87 113.70 119.68 3hk6 s SER 203 Ca 0.07 2.05 0.30 0.00 0.70 0.00 0.00 55.95 59.07 3hk6 s SER 203 Cb -0.14 -2.59 1.57 0.00 -1.71 0.00 0.00 66.02 63.15 3hk6 s SER 203 CO 0.05 -0.35 2.03 -0.81 1.20 0.00 0.00 173.24 175.36 3hk6 n PRO 204 N 3.14 1.24 -0.09 5.44 -0.04 -1.26 -0.89 135.00 142.54 3hk6 n PRO 204 Ca 0.06 -0.35 -0.08 0.00 -0.04 0.00 0.00 63.50 63.08 3hk6 n PRO 204 Cb 0.46 -1.48 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 3hk6 n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hk6 n PHE 204 N -0.57 0.00 -0.75 0.54 3.72 -1.26 -4.56 117.46 114.58 3hk6 n PHE 204 Ca 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.62 3hk6 n PHE 204 Cb 0.20 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 3hk6 n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3hk6 n ASN 204 N -2.66 0.36 -2.27 4.37 0.23 -1.25 -5.06 115.26 108.98 3hk6 n ASN 204 Ca -0.29 -1.11 -0.18 0.00 -0.53 0.00 0.00 54.58 52.48 3hk6 n ASN 204 Cb 1.08 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.79 3hk6 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3hk6 n ASN 205 N -0.05 -5.17 -4.41 0.53 4.13 -0.07 -5.00 115.26 105.22 3hk6 n ASN 205 Ca 0.00 -0.15 -0.21 0.00 1.68 0.00 0.00 54.58 55.90 3hk6 n ASN 205 Cb 0.30 -4.11 -0.10 0.00 -1.54 0.00 0.00 39.78 34.33 3hk6 n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3hk6 s ARG 206 N -5.23 1.51 -0.27 3.52 0.52 -1.18 -4.84 118.95 112.97 3hk6 s ARG 206 Ca 0.15 -1.69 -0.09 0.00 -0.52 0.00 0.00 55.73 53.58 3hk6 s ARG 206 Cb -0.07 -1.40 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 3hk6 s ARG 206 CO 0.19 0.23 0.13 -1.58 0.02 0.00 0.00 175.30 174.28 3hk6 s TRP 207 N -2.78 3.15 -0.14 -0.53 0.52 -1.26 -0.00 118.94 117.90 3hk6 s TRP 207 Ca 0.26 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.13 3hk6 s TRP 207 Cb -0.02 -2.31 0.01 0.00 -1.15 0.00 0.00 33.47 29.99 3hk6 s TRP 207 CO 0.11 -0.32 -0.20 0.71 0.02 0.00 0.00 176.95 177.27 3hk6 s TYR 208 N 1.66 2.69 -1.18 -1.98 2.02 0.90 -1.23 117.35 120.24 3hk6 s TYR 208 Ca 0.06 -1.24 -0.18 0.00 -0.37 0.00 0.00 57.07 55.34 3hk6 s TYR 208 Cb -0.16 -1.82 0.10 0.00 -0.40 0.00 0.00 41.96 39.67 3hk6 s TYR 208 CO 0.07 -0.56 1.54 -1.14 -1.57 0.00 0.00 175.55 173.89 3hk6 s GLN 209 N 0.77 3.89 0.28 -0.62 0.74 -1.11 -1.48 119.66 122.12 3hk6 s GLN 209 Ca -0.08 -1.92 -0.02 0.00 0.05 0.00 0.00 55.36 53.40 3hk6 s GLN 209 Cb -0.16 -5.33 0.44 0.00 1.10 0.00 0.00 33.01 29.07 3hk6 s GLN 209 CO -0.00 -2.08 1.89 0.52 -0.55 0.00 0.00 175.29 175.07 3hk6 h MET 210 N 8.09 1.11 -5.04 1.67 2.86 -1.88 -3.42 114.93 118.32 3hk6 h MET 210 Ca 0.33 -0.07 -0.57 0.00 -2.06 0.00 0.00 59.70 57.33 3hk6 h MET 210 Cb 0.92 -0.25 -0.13 0.00 0.06 0.00 0.00 31.60 32.19 3hk6 h MET 210 CO 1.37 0.74 -0.51 0.20 1.06 0.00 0.00 176.91 179.76 3hk6 s GLY 211 N -3.33 2.68 -0.09 8.32 0.00 -0.90 0.42 107.32 114.42 3hk6 s GLY 211 Ca -0.12 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3hk6 s GLY 211 CO 0.81 -1.86 -0.20 -0.42 0.00 0.00 0.00 173.10 171.43 3hk6 s ILE 212 N -3.17 2.44 -0.32 0.90 1.01 -0.68 -3.11 121.20 118.26 3hk6 s ILE 212 Ca 0.22 -0.90 -0.34 0.00 0.00 0.00 0.00 60.65 59.63 3hk6 s ILE 212 Cb 0.02 -1.95 -0.10 0.00 0.01 0.00 0.00 42.46 40.44 3hk6 s ILE 212 CO 0.14 0.56 2.20 0.52 0.00 0.00 0.00 174.94 178.36 3hk6 n VAL 213 N 3.26 0.21 -0.10 2.92 0.31 -0.10 -1.84 118.33 123.00 3hk6 n VAL 213 Ca -0.18 -0.30 -0.11 0.00 -0.01 0.00 0.00 64.34 63.73 3hk6 n VAL 213 Cb 0.53 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 31.49 3hk6 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hk6 n SER 214 N 10.29 1.16 -2.96 4.52 2.88 -0.62 -1.47 113.62 127.42 3hk6 n SER 214 Ca 0.39 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 3hk6 n SER 214 Cb 0.28 0.48 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 3hk6 n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hk6 s ALA 215 N -2.44 -3.27 1.06 -1.46 0.00 -0.92 -4.91 121.76 109.82 3hk6 s ALA 215 Ca -0.17 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 3hk6 s ALA 215 Cb 0.06 -2.86 0.22 0.00 0.00 0.00 0.00 23.12 20.55 3hk6 s ALA 215 CO 0.66 -2.35 1.07 0.20 0.00 0.00 0.00 175.76 175.34 3hk6 s GLY 216 N 1.72 1.58 0.00 0.00 0.00 -1.26 -2.87 107.32 106.48 3hk6 s GLY 216 Ca 0.18 -0.08 0.19 0.00 0.00 0.00 0.00 44.72 45.00 3hk6 s GLY 216 CO -0.10 0.55 1.08 0.00 0.00 0.00 0.00 173.10 174.62 3hk6 n ALA 217 N -4.53 2.59 -1.70 3.20 0.00 -1.20 -4.85 120.51 114.01 3hk6 n ALA 217 Ca 0.05 -0.64 -0.34 0.00 0.00 0.00 0.00 53.44 52.52 3hk6 n ALA 217 Cb 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.36 3hk6 n ALA 217 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hk6 s GLY 219 N -1.65 2.34 0.00 0.00 0.00 -0.52 -3.34 107.32 104.15 3hk6 s GLY 219 Ca 0.21 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3hk6 s GLY 219 CO 0.27 0.90 0.00 0.00 0.00 0.00 0.00 173.10 174.26 3hk6 n ASP 221 N 7.17 0.61 0.22 0.00 8.00 -1.26 -4.10 116.55 127.19 3hk6 n ASP 221 Ca 0.00 -0.02 0.14 0.00 0.71 0.00 0.00 54.79 55.62 3hk6 n ASP 221 Cb 0.00 0.76 0.79 0.00 -0.02 0.00 0.00 41.12 42.65 3hk6 n ASP 221 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3hk6 h ARG 221 N 0.00 0.00 -0.15 -1.24 2.47 -1.82 -3.45 114.38 110.19 3hk6 h ARG 221 Ca -0.52 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 3hk6 h ARG 221 Cb 2.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.43 3hk6 h ARG 221 CO 0.01 0.00 0.00 1.63 0.56 0.00 0.00 179.97 182.17 3hk6 n LYS 222 N -4.09 -0.15 0.00 0.04 5.02 -1.21 -4.90 118.16 112.87 3hk6 n LYS 222 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hk6 n LYS 222 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.23 3hk6 n LYS 222 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hk6 n GLY 223 N 0.00 -2.15 0.13 0.72 0.00 -1.26 -5.03 105.19 97.60 3hk6 n GLY 223 Ca 0.00 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 3hk6 n GLY 223 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hk6 n LYS 224 N -0.91 0.63 -4.05 1.61 3.00 -1.26 -4.88 118.16 112.31 3hk6 n LYS 224 Ca 0.00 0.26 -0.10 0.00 -0.00 0.00 0.00 58.31 58.46 3hk6 n LYS 224 Cb 0.00 -1.56 -0.11 0.00 0.00 0.00 0.00 35.03 33.36 3hk6 n LYS 224 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3hk6 s TYR 225 N -2.50 0.52 0.13 5.64 2.02 -1.26 -4.96 117.35 116.93 3hk6 s TYR 225 Ca -0.34 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 55.42 3hk6 s TYR 225 Cb 0.11 -0.33 -0.06 0.00 -0.40 0.00 0.00 41.96 41.27 3hk6 s TYR 225 CO 0.58 -0.18 0.93 0.20 -1.57 0.00 0.00 175.55 175.51 3hk6 s GLY 226 N -1.92 3.00 -0.08 0.71 0.00 -0.84 -4.59 107.32 103.58 3hk6 s GLY 226 Ca -0.07 0.54 -0.14 0.00 0.00 0.00 0.00 44.72 45.05 3hk6 s GLY 226 CO -0.02 1.35 0.34 -1.36 0.00 0.00 0.00 173.10 173.41 3hk6 s PHE 227 N -0.24 3.59 0.06 1.90 2.99 -1.14 -1.05 117.98 124.10 3hk6 s PHE 227 Ca 0.45 0.79 0.10 0.00 0.00 0.00 0.00 56.93 58.26 3hk6 s PHE 227 Cb -0.23 -2.29 -0.03 0.00 0.00 0.00 0.00 43.02 40.46 3hk6 s PHE 227 CO 0.29 0.46 -0.26 0.71 -0.00 0.00 0.00 175.22 176.42 3hk6 s TYR 228 N -0.34 2.31 0.05 0.36 1.51 0.56 -1.60 117.35 120.20 3hk6 s TYR 228 Ca 0.20 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.55 3hk6 s TYR 228 Cb -0.15 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 3hk6 s TYR 228 CO 0.09 0.16 1.15 0.99 -1.11 0.00 0.00 175.55 176.82 3hk6 s THR 229 N -0.84 4.24 -0.52 -0.71 2.01 -0.77 0.42 115.64 119.46 3hk6 s THR 229 Ca 0.12 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.46 3hk6 s THR 229 Cb -0.10 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 3hk6 s THR 229 CO 0.03 0.12 1.86 -2.28 -0.69 0.00 0.00 174.62 173.66 3hk6 s HIS 230 N 1.06 1.69 0.08 4.92 2.46 -0.60 -1.69 115.29 123.20 3hk6 s HIS 230 Ca 0.57 0.79 -0.26 0.00 0.47 0.00 0.00 55.06 56.63 3hk6 s HIS 230 Cb -0.27 -4.08 -0.16 0.00 -0.13 0.00 0.00 32.58 27.94 3hk6 s HIS 230 CO 0.29 -2.48 1.68 0.28 -2.47 0.00 0.00 174.74 172.03 3hk6 h VAL 231 N 6.90 0.79 -0.18 0.89 2.07 -0.29 -3.17 116.25 123.26 3hk6 h VAL 231 Ca -0.28 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3hk6 h VAL 231 Cb 1.17 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.69 3hk6 h VAL 231 CO 1.16 0.01 -0.41 0.15 0.02 0.00 0.00 177.57 178.50 3hk6 h PHE 232 N -0.32 -1.19 0.00 1.57 3.57 -1.84 -1.06 116.94 117.66 3hk6 h PHE 232 Ca -0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3hk6 h PHE 232 Cb 0.25 0.55 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3hk6 h PHE 232 CO -0.06 -0.46 0.35 0.54 -2.23 0.00 0.00 178.31 176.45 3hk6 n ARG 233 N -5.43 0.08 -0.09 1.11 5.12 -1.20 0.18 116.66 116.43 3hk6 n ARG 233 Ca -0.03 0.56 0.03 0.00 -1.93 0.00 0.00 57.85 56.48 3hk6 n ARG 233 Cb 0.36 -2.12 0.08 0.00 -1.16 0.00 0.00 32.46 29.61 3hk6 n ARG 233 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hk6 n LEU 234 N -2.03 2.48 -0.30 0.55 4.32 -0.43 -4.67 117.00 116.91 3hk6 n LEU 234 Ca -0.01 -2.05 -0.03 0.00 -0.02 0.00 0.00 56.01 53.90 3hk6 n LEU 234 Cb 0.37 -0.13 0.08 0.00 -1.62 0.00 0.00 43.42 42.12 3hk6 n LEU 234 CO 0.05 0.62 1.21 0.50 -1.22 0.00 0.00 177.39 178.55 3hk6 h LYS 235 N 0.97 1.05 -0.34 3.23 3.64 0.22 0.48 116.57 125.82 3hk6 h LYS 235 Ca 0.00 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3hk6 h LYS 235 Cb 0.64 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 3hk6 h LYS 235 CO 0.01 0.69 -0.24 0.07 -2.27 0.00 0.00 179.45 177.71 3hk6 h ARG 236 N 1.08 -0.19 -0.88 1.90 0.11 -1.83 -0.48 114.38 114.08 3hk6 h ARG 236 Ca 0.31 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.38 3hk6 h ARG 236 Cb -0.09 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 30.99 3hk6 h ARG 236 CO -0.08 -0.13 0.48 2.35 0.10 0.00 0.00 179.97 182.70 3hk6 h TRP 237 N -0.20 1.22 -0.66 4.08 7.01 -1.71 -1.60 115.95 124.08 3hk6 h TRP 237 Ca 0.17 -0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.23 3hk6 h TRP 237 Cb 0.46 -0.39 -0.07 0.00 -2.10 0.00 0.00 29.16 27.06 3hk6 h TRP 237 CO -0.43 0.84 0.30 0.82 -2.79 0.00 0.00 178.44 177.17 3hk6 h ILE 238 N 1.23 0.81 -0.22 2.65 2.04 0.55 -2.46 117.51 122.12 3hk6 h ILE 238 Ca 0.31 -0.17 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 3hk6 h ILE 238 Cb 0.03 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3hk6 h ILE 238 CO -0.05 0.09 -0.56 -0.61 0.00 0.00 0.00 178.15 177.03 3hk6 h GLN 239 N 0.51 0.68 -0.97 2.37 4.15 -0.90 -2.49 115.11 118.46 3hk6 h GLN 239 Ca 0.33 -0.43 0.25 0.00 0.77 0.00 0.00 58.65 59.57 3hk6 h GLN 239 Cb 0.38 0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 3hk6 h GLN 239 CO -0.29 1.05 0.65 -0.22 -1.93 0.00 0.00 178.83 178.10 3hk6 h LYS 240 N 0.52 0.25 0.00 1.69 3.11 -0.81 -2.36 116.57 118.96 3hk6 h LYS 240 Ca 0.01 -0.02 -0.14 0.00 -2.81 0.00 0.00 60.65 57.69 3hk6 h LYS 240 Cb 1.13 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.28 3hk6 h LYS 240 CO 0.11 0.17 -0.96 0.28 -2.81 0.00 0.00 179.45 176.24 3hk6 h VAL 241 N 0.26 0.58 0.00 2.00 2.07 -1.35 -3.00 116.25 116.82 3hk6 h VAL 241 Ca 0.50 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3hk6 h VAL 241 Cb 1.51 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3hk6 h VAL 241 CO -0.15 0.20 -0.00 0.40 0.02 0.00 0.00 177.57 178.04 3hk6 h ILE 242 N -1.00 0.00 -1.00 4.57 2.04 -1.43 0.14 117.51 120.83 3hk6 h ILE 242 Ca -0.21 0.00 0.33 0.00 1.00 0.00 0.00 64.86 65.97 3hk6 h ILE 242 Cb 0.99 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.89 3hk6 h ILE 242 CO -0.13 0.00 0.22 0.44 0.00 0.00 0.00 178.15 178.68 3hk6 h ASP 243 N -0.00 -0.17 -0.54 1.72 5.19 -1.62 2.48 116.42 123.48 3hk6 h ASP 243 Ca -0.00 0.27 -0.08 0.00 -0.62 0.00 0.00 57.03 56.60 3hk6 h ASP 243 Cb 0.00 0.40 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 3hk6 h ASP 243 CO -0.00 -0.39 0.03 -0.61 -3.12 0.00 0.00 179.24 175.16 3hk6 h GLN 244 N 0.01 0.97 0.00 3.56 5.75 -1.34 -3.40 115.11 120.67 3hk6 h GLN 244 Ca 0.70 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.92 3hk6 h GLN 244 Cb 1.62 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.06 3hk6 h GLN 244 CO -0.87 0.93 0.00 1.19 -2.65 0.00 0.00 178.83 177.44 3hk6 n PHE 245 N -4.20 0.00 0.00 3.99 3.72 0.20 -5.08 117.46 116.08 3hk6 n PHE 245 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3hk6 n PHE 245 Cb 0.31 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3hk6 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12