#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk6 n VAL 17 N 0.00 0.15 -2.53 1.39 0.31 0.16 -2.33 118.33 115.48 3hk6 n VAL 17 Ca 0.00 -0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 63.95 3hk6 n VAL 17 Cb 0.00 -1.70 0.04 0.00 -0.91 0.00 0.00 33.84 31.27 3hk6 n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hk6 n GLU 18 N 8.32 -1.83 0.00 5.55 1.02 -1.26 -2.47 120.64 129.97 3hk6 n GLU 18 Ca 0.42 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 3hk6 n GLU 18 Cb 0.25 -3.97 0.00 0.00 -0.02 0.00 0.00 31.44 27.70 3hk6 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hk6 n GLY 19 N -1.28 1.48 0.00 0.62 0.00 -0.99 -4.80 105.19 100.23 3hk6 n GLY 19 Ca -0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3hk6 n GLY 19 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3hk6 n TRP 20 N 0.00 0.00 -1.55 1.61 2.14 -0.91 -4.86 117.44 113.88 3hk6 n TRP 20 Ca 0.00 0.00 -0.46 0.00 2.07 0.00 0.00 57.50 59.11 3hk6 n TRP 20 Cb 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.48 3hk6 n TRP 20 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 3hk6 n ASP 21 N 0.00 0.73 -4.64 -0.67 9.92 -1.26 -1.30 116.55 119.32 3hk6 n ASP 21 Ca 0.00 1.17 -0.42 0.00 -0.53 0.00 0.00 54.79 55.01 3hk6 n ASP 21 Cb 0.00 -1.21 -0.04 0.00 -0.64 0.00 0.00 41.12 39.23 3hk6 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hk6 s ALA 22 N -0.97 3.63 0.44 2.24 0.00 -0.36 -4.71 121.76 122.03 3hk6 s ALA 22 Ca 0.61 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3hk6 s ALA 22 Cb -0.77 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 3hk6 s ALA 22 CO 0.58 -0.88 1.06 0.39 0.00 0.00 0.00 175.76 176.92 3hk6 n GLU 23 N 5.87 1.43 -1.69 0.00 1.02 -1.26 -4.83 120.64 121.19 3hk6 n GLU 23 Ca 0.05 0.52 -0.43 0.00 -0.02 0.00 0.00 57.16 57.27 3hk6 n GLU 23 Cb 0.48 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 3hk6 n GLU 23 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3hk6 n LYS 24 N 0.01 2.07 -1.73 3.49 3.00 -1.26 -1.73 118.16 122.01 3hk6 n LYS 24 Ca 0.09 0.73 -0.19 0.00 -0.00 0.00 0.00 58.31 58.94 3hk6 n LYS 24 Cb 0.40 -2.32 -0.07 0.00 0.00 0.00 0.00 35.03 33.04 3hk6 n LYS 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hk6 n GLY 25 N 1.18 1.40 0.20 3.14 0.00 -1.26 -4.87 105.19 104.98 3hk6 n GLY 25 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 1.34 -2.34 -0.61 2.10 -1.68 -3.37 117.51 112.95 3hk6 h ILE 26 Ca -0.41 -1.91 -0.60 0.00 1.08 0.00 0.00 64.86 63.02 3hk6 h ILE 26 Cb 1.29 1.88 -0.42 0.00 -1.09 0.00 0.00 36.82 38.48 3hk6 h ILE 26 CO 0.58 0.59 -0.61 0.00 -1.08 0.00 0.00 178.15 177.62 3hk6 n ALA 27 N -2.52 3.90 0.71 0.18 0.00 -1.26 -4.93 120.51 116.59 3hk6 n ALA 27 Ca -0.04 -4.67 0.08 0.00 0.00 0.00 0.00 53.44 48.81 3hk6 n ALA 27 Cb 0.64 -0.92 0.40 0.00 0.00 0.00 0.00 19.45 19.57 3hk6 n ALA 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hk6 n PRO 28 N 1.07 0.14 0.13 0.00 -0.04 -1.26 -0.32 135.00 134.72 3hk6 n PRO 28 Ca 0.28 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 3hk6 n PRO 28 Cb 0.40 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.40 3hk6 n PRO 28 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3hk6 h TRP 29 N 0.00 0.00 -3.24 0.54 0.09 -1.64 0.53 115.95 112.23 3hk6 h TRP 29 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 58.41 3hk6 h TRP 29 Cb 0.22 0.00 0.12 0.00 0.08 0.00 0.00 29.16 29.58 3hk6 h TRP 29 CO 0.00 0.31 0.40 0.94 0.09 0.00 0.00 178.44 180.18 3hk6 n GLN 30 N -3.03 1.85 -3.98 0.12 -0.06 0.57 -0.64 117.38 112.20 3hk6 n GLN 30 Ca -0.00 0.65 -0.11 0.00 -2.00 0.00 0.00 57.00 55.54 3hk6 n GLN 30 Cb 0.68 -2.24 -0.12 0.00 -4.06 0.00 0.00 30.24 24.50 3hk6 n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3hk6 s VAL 31 N -1.15 0.19 -0.21 1.69 1.01 0.67 -4.25 120.40 118.35 3hk6 s VAL 31 Ca 0.59 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3hk6 s VAL 31 Cb -0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3hk6 s VAL 31 CO 0.60 -0.27 0.06 -0.32 0.00 0.00 0.00 175.10 175.17 3hk6 s MET 32 N -0.91 3.79 -0.46 2.72 1.75 -0.35 -1.59 119.30 124.25 3hk6 s MET 32 Ca -0.08 -0.43 -0.19 0.00 -1.25 0.00 0.00 55.69 53.74 3hk6 s MET 32 Cb -0.06 -3.24 0.04 0.00 2.84 0.00 0.00 34.83 34.40 3hk6 s MET 32 CO -0.00 0.04 0.58 -1.17 -0.65 0.00 0.00 175.02 173.82 3hk6 s LEU 33 N 0.99 4.77 0.09 4.11 2.96 0.34 -2.34 118.68 129.59 3hk6 s LEU 33 Ca 0.04 -0.64 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 3hk6 s LEU 33 Cb -0.14 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.98 3hk6 s LEU 33 CO 0.03 -0.77 0.24 0.12 -1.32 0.00 0.00 176.35 174.65 3hk6 s PHE 34 N 2.57 3.51 -0.08 5.38 2.19 -0.58 -0.01 117.98 130.95 3hk6 s PHE 34 Ca 0.17 0.24 -0.15 0.00 0.33 0.00 0.00 56.93 57.51 3hk6 s PHE 34 Cb -0.17 -1.75 -0.05 0.00 -1.31 0.00 0.00 43.02 39.74 3hk6 s PHE 34 CO 0.15 0.56 0.39 0.50 1.83 0.00 0.00 175.22 178.65 3hk6 s ARG 35 N -2.72 4.13 0.15 10.12 3.52 0.64 -2.23 118.95 132.55 3hk6 s ARG 35 Ca 0.35 0.33 -0.17 0.00 -0.13 0.00 0.00 55.73 56.12 3hk6 s ARG 35 Cb -0.12 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.94 3hk6 s ARG 35 CO 0.28 0.41 1.80 0.87 -0.81 0.00 0.00 175.30 177.84 3hk6 h LYS 36 N 5.86 0.44 -0.41 5.12 1.57 -1.63 -3.31 116.57 124.21 3hk6 h LYS 36 Ca -0.46 -0.03 0.21 0.00 -1.87 0.00 0.00 60.65 58.51 3hk6 h LYS 36 Cb 1.19 -0.10 -0.21 0.00 0.08 0.00 0.00 32.23 33.20 3hk6 h LYS 36 CO 0.69 0.29 0.04 0.45 -0.57 0.00 0.00 179.45 180.36 3hk6 s SER 36 N -5.49 -0.60 0.18 0.86 0.15 -1.26 -4.10 113.70 103.44 3hk6 s SER 36 Ca -0.13 0.29 -0.31 0.00 0.70 0.00 0.00 55.95 56.50 3hk6 s SER 36 Cb 0.11 1.47 -0.10 0.00 -1.71 0.00 0.00 66.02 65.79 3hk6 s SER 36 CO 0.72 -0.11 1.52 -2.16 1.20 0.00 0.00 173.24 174.41 3hk6 s PRO 37 N 2.94 4.24 -0.32 5.44 0.04 -1.26 -5.07 135.00 141.00 3hk6 s PRO 37 Ca 0.07 2.32 -0.28 0.00 0.04 0.00 0.00 61.00 63.16 3hk6 s PRO 37 Cb -0.09 -3.15 -0.30 0.00 0.04 0.00 0.00 34.50 31.01 3hk6 s PRO 37 CO -0.15 -0.54 1.73 1.04 0.04 0.00 0.00 177.00 179.12 3hk6 n GLN 38 N 3.50 0.52 -4.35 4.56 1.13 -1.26 -4.58 117.38 116.91 3hk6 n GLN 38 Ca 0.12 -1.34 -0.25 0.00 -1.94 0.00 0.00 57.00 53.59 3hk6 n GLN 38 Cb 0.39 -2.73 -0.12 0.00 0.11 0.00 0.00 30.24 27.89 3hk6 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 3hk6 s GLU 39 N 6.42 1.31 -0.34 -1.09 -1.05 -1.24 -4.92 118.70 117.78 3hk6 s GLU 39 Ca 0.66 -1.36 -0.29 0.00 -0.15 0.00 0.00 54.97 53.83 3hk6 s GLU 39 Cb 0.14 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.28 3hk6 s GLU 39 CO 0.26 0.34 1.40 -1.17 0.95 0.00 0.00 175.26 177.05 3hk6 s LEU 40 N -2.37 3.74 0.07 1.83 2.96 -1.26 -0.26 118.68 123.38 3hk6 s LEU 40 Ca 0.14 1.09 0.10 0.00 -0.22 0.00 0.00 54.13 55.24 3hk6 s LEU 40 Cb -0.08 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.88 3hk6 s LEU 40 CO 0.07 -1.28 1.05 -0.07 -1.32 0.00 0.00 176.35 174.80 3hk6 h LEU 41 N 11.66 0.00 0.00 -0.68 3.38 -0.74 -3.48 115.31 125.45 3hk6 h LEU 41 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hk6 h LEU 41 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hk6 h LEU 41 CO 1.05 0.93 0.00 0.00 0.09 0.00 0.00 178.44 180.51 3hk6 s GLY 43 N 0.00 1.63 0.00 0.00 0.00 0.12 -0.51 107.32 108.56 3hk6 s GLY 43 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3hk6 s GLY 43 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 173.10 173.07 3hk6 n ALA 44 N -2.90 0.00 -3.23 3.20 0.00 -0.62 -2.94 120.51 114.02 3hk6 n ALA 44 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3hk6 n ALA 44 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 3hk6 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hk6 s SER 45 N 0.00 -0.26 -0.15 0.00 1.04 -0.86 0.24 113.70 113.71 3hk6 s SER 45 Ca 0.00 0.37 -0.13 0.00 0.48 0.00 0.00 55.95 56.67 3hk6 s SER 45 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 3hk6 s SER 45 CO 0.00 -0.28 0.27 -0.22 0.98 0.00 0.00 173.24 173.99 3hk6 s LEU 46 N -0.57 4.27 -0.00 2.42 2.96 0.19 -0.55 118.68 127.40 3hk6 s LEU 46 Ca -0.07 0.50 0.09 0.00 -0.22 0.00 0.00 54.13 54.43 3hk6 s LEU 46 Cb -0.04 -2.32 -0.10 0.00 0.50 0.00 0.00 46.19 44.23 3hk6 s LEU 46 CO 0.02 0.16 0.38 2.30 -1.32 0.00 0.00 176.35 177.88 3hk6 n ILE 47 N 3.29 0.00 -3.64 6.68 -6.64 -0.17 -2.01 119.36 116.87 3hk6 n ILE 47 Ca -0.13 -0.28 -0.02 0.00 -1.77 0.00 0.00 62.75 60.54 3hk6 n ILE 47 Cb 0.52 0.97 -0.03 0.00 -1.44 0.00 0.00 39.64 39.65 3hk6 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.77 0.00 0.00 176.55 173.84 3hk6 s SER 48 N -1.92 -0.04 0.00 7.28 1.04 -1.18 -4.66 113.70 114.23 3hk6 s SER 48 Ca 0.03 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.49 3hk6 s SER 48 Cb 0.07 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3hk6 s SER 48 CO 0.37 -0.05 0.48 -0.90 0.98 0.00 0.00 173.24 174.13 3hk6 n ASP 49 N 0.29 0.00 -0.00 7.02 5.75 -1.26 -1.41 116.55 126.93 3hk6 n ASP 49 Ca 0.02 0.11 -0.00 0.00 -0.01 0.00 0.00 54.79 54.91 3hk6 n ASP 49 Cb 0.58 -0.11 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 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 -0.98 3.15 -4.31 0.11 3.00 -1.26 0.58 116.66 116.95 3hk6 n ARG 50 Ca 0.00 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 3hk6 n ARG 50 Cb 0.15 -1.02 -0.13 0.00 0.00 0.00 0.00 32.46 31.46 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 -2.03 1.89 -0.01 -0.14 0.52 -0.50 -1.00 118.94 117.68 3hk6 s TRP 51 Ca -0.00 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.68 3hk6 s TRP 51 Cb 0.00 -1.03 -0.00 0.00 -1.15 0.00 0.00 33.47 31.29 3hk6 s TRP 51 CO 0.04 0.24 0.05 0.08 0.02 0.00 0.00 176.95 177.37 3hk6 s VAL 52 N -1.18 0.05 -0.15 4.03 1.01 -0.75 -1.00 120.40 122.41 3hk6 s VAL 52 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3hk6 s VAL 52 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 3hk6 s VAL 52 CO 0.05 -0.22 -0.14 -0.22 0.00 0.00 0.00 175.10 174.57 3hk6 s LEU 53 N -0.67 2.56 0.00 3.92 2.96 0.29 -1.05 118.68 126.69 3hk6 s LEU 53 Ca -0.07 -0.42 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3hk6 s LEU 53 Cb -0.05 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.06 3hk6 s LEU 53 CO 0.00 0.11 0.00 1.07 -1.32 0.00 0.00 176.35 176.21 3hk6 n THR 54 N 3.89 0.00 -3.89 3.68 5.66 -0.86 -2.02 114.28 120.74 3hk6 n THR 54 Ca -0.19 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.46 3hk6 n THR 54 Cb 0.52 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 3hk6 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hk6 s ALA 55 N -1.58 3.58 0.52 1.79 0.00 -1.26 -1.56 121.76 123.25 3hk6 s ALA 55 Ca 0.00 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.49 3hk6 s ALA 55 Cb 0.00 -2.01 1.36 0.00 0.00 0.00 0.00 23.12 22.47 3hk6 s ALA 55 CO 0.00 0.25 2.00 0.00 0.00 0.00 0.00 175.76 178.01 3hk6 h ALA 56 N 6.38 2.43 0.00 0.00 0.00 -1.68 0.23 119.26 126.62 3hk6 h ALA 56 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hk6 h ALA 56 Cb 1.17 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hk6 h ALA 56 CO 0.70 -0.57 0.00 -2.39 0.00 0.00 0.00 179.25 176.99 3hk6 n HIS 57 N -4.40 0.15 0.38 0.00 1.44 -1.26 -0.70 115.22 110.83 3hk6 n HIS 57 Ca 0.09 0.05 0.14 0.00 -2.01 0.00 0.00 57.72 55.99 3hk6 n HIS 57 Cb 0.56 -0.58 0.50 0.00 0.12 0.00 0.00 29.99 30.59 3hk6 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hk6 n ILE 59 N -2.60 0.81 -3.97 0.00 2.08 0.12 -4.91 119.36 110.90 3hk6 n ILE 59 Ca 0.02 -0.22 -0.31 0.00 0.56 0.00 0.00 62.75 62.81 3hk6 n ILE 59 Cb 0.32 -1.62 -0.15 0.00 -0.75 0.00 0.00 39.64 37.44 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 -6.69 4.00 0.24 1.39 2.96 -0.14 -2.48 118.68 117.96 3hk6 s LEU 60 Ca -0.21 -1.91 -0.15 0.00 -0.22 0.00 0.00 54.13 51.65 3hk6 s LEU 60 Cb 0.08 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.33 3hk6 s LEU 60 CO 0.27 -0.36 0.51 -0.47 -1.32 0.00 0.00 176.35 174.98 3hk6 s TYR 60 N 1.09 0.19 0.00 5.38 5.04 -0.55 -4.44 117.35 124.07 3hk6 s TYR 60 Ca 0.07 -0.57 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 3hk6 s TYR 60 Cb -0.19 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.41 3hk6 s TYR 60 CO -0.11 -1.00 0.00 -2.30 -1.34 0.00 0.00 175.55 170.80 3hk6 n PRO 60 N -0.38 0.00 -0.25 4.97 -0.02 -1.26 -3.02 135.00 135.04 3hk6 n PRO 60 Ca -0.04 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.53 3hk6 n PRO 60 Cb 0.62 -0.17 0.19 0.00 -0.02 0.00 0.00 33.50 34.12 3hk6 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hk6 n TRP 60 N 0.17 0.46 -3.27 6.00 8.01 -1.26 -4.97 117.44 122.58 3hk6 n TRP 60 Ca 0.00 -0.89 -0.15 0.00 -1.31 0.00 0.00 57.50 55.14 3hk6 n TRP 60 Cb 0.00 -0.22 0.08 0.00 -2.01 0.00 0.00 31.31 29.16 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 -0.87 -3.66 -3.93 -0.99 8.00 -1.24 -5.01 116.55 108.85 3hk6 n ASP 60 Ca 0.18 -0.61 -0.31 0.00 0.71 0.00 0.00 54.79 54.75 3hk6 n ASP 60 Cb 0.73 -4.89 -0.15 0.00 -0.02 0.00 0.00 41.12 36.79 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 -4.92 1.29 -0.04 -1.24 1.02 -1.17 -4.96 119.74 109.73 3hk6 s LYS 60 Ca 0.16 -1.53 0.10 0.00 0.02 0.00 0.00 55.97 54.72 3hk6 s LYS 60 Cb -0.02 -2.77 0.18 0.00 -0.52 0.00 0.00 37.83 34.70 3hk6 s LYS 60 CO 0.69 -0.91 1.08 -1.71 -0.92 0.00 0.00 175.35 173.59 3hk6 n ASN 60 N 4.48 0.78 -4.67 2.83 2.85 -1.20 -1.48 115.26 118.84 3hk6 n ASN 60 Ca -0.00 -2.34 -0.41 0.00 -0.11 0.00 0.00 54.58 51.71 3hk6 n ASN 60 Cb 0.42 -0.29 0.01 0.00 1.24 0.00 0.00 39.78 41.16 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 -0.22 1.85 -4.22 1.20 3.72 -1.03 -4.95 117.46 113.80 3hk6 n PHE 60 Ca 0.06 0.53 -0.23 0.00 -0.05 0.00 0.00 57.45 57.75 3hk6 n PHE 60 Cb 0.79 -2.33 -0.06 0.00 -0.94 0.00 0.00 39.48 36.94 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 -1.21 3.83 0.36 4.37 -4.23 -1.26 -4.85 115.64 112.65 3hk6 s THR 60 Ca 0.61 -1.64 0.18 0.00 -1.18 0.00 0.00 61.69 59.67 3hk6 s THR 60 Cb -0.53 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 70.63 3hk6 s THR 60 CO 0.58 -0.31 1.61 1.05 -0.54 0.00 0.00 174.62 177.01 3hk6 h GLU 61 N 1.95 0.10 -0.60 3.99 9.09 -1.92 0.45 114.58 127.64 3hk6 h GLU 61 Ca -0.46 -0.01 0.16 0.00 0.05 0.00 0.00 59.36 59.11 3hk6 h GLU 61 Cb 1.24 -0.02 -0.03 0.00 -1.65 0.00 0.00 28.75 28.29 3hk6 h GLU 61 CO 0.60 0.07 0.43 -0.91 0.05 0.00 0.00 179.01 179.24 3hk6 h ASN 62 N 0.10 0.06 1.07 3.06 4.21 -1.93 -2.40 115.58 119.76 3hk6 h ASN 62 Ca 0.81 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.32 3hk6 h ASN 62 Cb 2.05 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 39.24 3hk6 h ASN 62 CO -0.72 0.03 -0.15 0.47 -1.29 0.00 0.00 177.43 175.77 3hk6 n ASP 63 N -4.38 0.42 -4.23 5.81 8.00 0.16 -4.93 116.55 117.40 3hk6 n ASP 63 Ca 0.11 0.38 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 3hk6 n ASP 63 Cb 0.63 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 41.22 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 -3.66 2.41 0.27 0.64 1.43 -0.90 -1.64 118.68 117.22 3hk6 s LEU 64 Ca 0.12 -1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 3hk6 s LEU 64 Cb 0.16 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 46.17 3hk6 s LEU 64 CO 0.60 -0.44 0.35 -1.48 0.23 0.00 0.00 176.35 175.61 3hk6 s LEU 65 N -3.14 0.89 0.15 1.79 0.05 -0.95 -4.20 118.68 113.27 3hk6 s LEU 65 Ca 0.18 -1.29 0.05 0.00 0.05 0.00 0.00 54.13 53.12 3hk6 s LEU 65 Cb 0.04 1.15 -0.04 0.00 -2.05 0.00 0.00 46.19 45.29 3hk6 s LEU 65 CO 0.00 -1.08 -0.12 0.68 -0.55 0.00 0.00 176.35 175.28 3hk6 s VAL 66 N -3.75 1.30 -0.05 1.48 -7.23 0.18 -1.53 120.40 110.79 3hk6 s VAL 66 Ca 0.31 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 3hk6 s VAL 66 Cb 0.02 -1.77 0.02 0.00 0.56 0.00 0.00 36.38 35.21 3hk6 s VAL 66 CO 0.15 -0.63 0.13 -0.13 -0.31 0.00 0.00 175.10 174.31 3hk6 s ARG 67 N -3.40 0.12 -0.11 4.82 0.52 -0.99 -2.16 118.95 117.76 3hk6 s ARG 67 Ca 0.15 0.26 -0.07 0.00 -0.52 0.00 0.00 55.73 55.55 3hk6 s ARG 67 Cb -0.00 -0.04 0.04 0.00 0.52 0.00 0.00 34.95 35.47 3hk6 s ARG 67 CO 0.02 -0.08 0.27 0.42 0.02 0.00 0.00 175.30 175.95 3hk6 s ILE 68 N 0.56 -0.02 0.00 1.52 1.01 -0.83 -1.21 121.20 122.23 3hk6 s ILE 68 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.69 3hk6 s ILE 68 Cb -0.06 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3hk6 s ILE 68 CO -0.03 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3hk6 n GLY 69 N 3.72 1.09 3.74 6.18 0.00 -1.26 -1.56 105.19 117.09 3hk6 n GLY 69 Ca -0.20 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.87 2.96 0.00 1.61 1.02 -1.26 -4.19 119.74 118.01 3hk6 s LYS 70 Ca 0.00 -0.51 0.00 0.00 0.02 0.00 0.00 55.97 55.48 3hk6 s LYS 70 Cb 0.00 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3hk6 s LYS 70 CO 0.00 0.65 0.00 1.58 -0.92 0.00 0.00 175.35 176.66 3hk6 n HIS 71 N 1.38 0.00 -0.73 3.18 -0.00 -1.26 -4.88 115.22 112.90 3hk6 n HIS 71 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.27 3hk6 n HIS 71 Cb 0.53 0.00 0.18 0.00 -0.00 0.00 0.00 29.99 30.70 3hk6 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hk6 s SER 72 N -2.79 2.55 0.17 0.26 0.15 -1.26 -0.95 113.70 111.83 3hk6 s SER 72 Ca 0.00 1.94 0.07 0.00 0.70 0.00 0.00 55.95 58.65 3hk6 s SER 72 Cb 0.00 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.82 3hk6 s SER 72 CO 0.00 -3.29 1.38 -0.09 1.20 0.00 0.00 173.24 172.44 3hk6 h ARG 73 N -2.00 0.05 0.00 5.44 2.43 -1.72 -3.44 114.38 115.14 3hk6 h ARG 73 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3hk6 h ARG 73 Cb 1.28 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 3hk6 h ARG 73 CO 0.45 0.89 0.00 0.25 -1.51 0.00 0.00 179.97 180.06 3hk6 n THR 74 N -3.54 0.52 -1.61 0.20 -2.24 -1.26 -5.01 114.28 101.33 3hk6 n THR 74 Ca -0.01 0.17 -0.64 0.00 -2.27 0.00 0.00 64.05 61.29 3hk6 n THR 74 Cb 0.83 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.95 0.15 -1.89 -0.78 0.63 -1.26 -4.78 116.66 105.77 3hk6 n ARG 75 Ca 0.00 0.05 -0.32 0.00 -0.92 0.00 0.00 57.85 56.66 3hk6 n ARG 75 Cb 0.00 -1.59 -0.04 0.00 0.45 0.00 0.00 32.46 31.28 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 3.93 1.51 -1.21 -0.14 6.04 -1.26 -4.81 117.35 121.42 3hk6 s TYR 76 Ca 1.08 1.05 -0.22 0.00 0.04 0.00 0.00 57.07 59.03 3hk6 s TYR 76 Cb -1.44 -3.90 -0.05 0.00 -1.04 0.00 0.00 41.96 35.54 3hk6 s TYR 76 CO 0.75 -2.14 1.88 -1.21 -1.54 0.00 0.00 175.55 173.30 3hk6 s GLU 77 N 7.51 2.87 0.66 4.97 2.02 -1.26 -4.94 118.70 130.52 3hk6 s GLU 77 Ca 0.77 -1.35 -0.17 0.00 0.02 0.00 0.00 54.97 54.24 3hk6 s GLU 77 Cb -0.12 -5.31 -0.00 0.00 0.10 0.00 0.00 34.13 28.80 3hk6 s GLU 77 CO 0.15 -3.54 1.19 0.50 0.02 0.00 0.00 175.26 173.58 3hk6 s ARG 77 N 5.92 2.62 0.00 1.61 6.06 -1.26 -1.72 118.95 132.18 3hk6 s ARG 77 Ca 0.65 1.71 0.00 0.00 -2.50 0.00 0.00 55.73 55.59 3hk6 s ARG 77 Cb 0.00 -1.90 0.00 0.00 0.06 0.00 0.00 34.95 33.12 3hk6 s ARG 77 CO 0.12 -1.45 0.00 0.09 -2.50 0.00 0.00 175.30 171.55 3hk6 n ASN 78 N -2.19 0.00 -0.03 -2.12 3.02 -1.26 -4.72 115.26 107.97 3hk6 n ASN 78 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 3hk6 n ASN 78 Cb 0.50 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.43 0.85 -2.97 2.41 0.31 -1.07 -5.03 118.33 111.40 3hk6 n VAL 79 Ca 0.00 0.27 -0.37 0.00 -0.01 0.00 0.00 64.34 64.24 3hk6 n VAL 79 Cb 0.00 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.03 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 -2.00 4.40 0.10 5.55 -1.05 -0.70 -4.83 118.70 120.17 3hk6 s GLU 80 Ca -0.13 1.07 0.10 0.00 -0.15 0.00 0.00 54.97 55.85 3hk6 s GLU 80 Cb 0.02 -2.88 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 3hk6 s GLU 80 CO 0.19 0.36 -0.25 0.15 0.95 0.00 0.00 175.26 176.66 3hk6 s LYS 81 N -1.94 1.45 -0.27 -4.83 -0.14 -0.60 -4.89 119.74 108.51 3hk6 s LYS 81 Ca 0.45 -1.22 -0.03 0.00 -1.36 0.00 0.00 55.97 53.81 3hk6 s LYS 81 Cb -0.18 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.20 3hk6 s LYS 81 CO 0.22 0.44 -0.01 0.42 -0.76 0.00 0.00 175.35 175.66 3hk6 s ILE 82 N -0.99 3.24 0.02 2.17 1.01 -1.26 -1.97 121.20 123.43 3hk6 s ILE 82 Ca 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3hk6 s ILE 82 Cb -0.10 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3hk6 s ILE 82 CO 0.04 0.12 0.11 -0.55 0.00 0.00 0.00 174.94 174.67 3hk6 s SER 83 N 1.37 5.82 0.08 3.58 0.15 -0.92 -4.97 113.70 118.81 3hk6 s SER 83 Ca 0.00 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.81 3hk6 s SER 83 Cb -0.17 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 3hk6 s SER 83 CO -0.02 0.23 0.22 -0.04 1.20 0.00 0.00 173.24 174.83 3hk6 s MET 84 N -2.03 3.42 0.02 5.44 1.00 -1.26 -0.65 119.30 125.24 3hk6 s MET 84 Ca 0.27 -0.48 -0.27 0.00 0.00 0.00 0.00 55.69 55.20 3hk6 s MET 84 Cb -0.12 -3.01 -0.04 0.00 0.00 0.00 0.00 34.83 31.65 3hk6 s MET 84 CO 0.18 0.59 0.87 -0.51 0.00 0.00 0.00 175.02 176.15 3hk6 s LEU 85 N -2.65 4.40 0.08 -0.03 1.43 -1.26 -1.66 118.68 118.99 3hk6 s LEU 85 Ca 0.35 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 3hk6 s LEU 85 Cb -0.13 -3.39 -0.17 0.00 0.03 0.00 0.00 46.19 42.53 3hk6 s LEU 85 CO 0.28 -0.13 1.28 -0.08 0.23 0.00 0.00 176.35 177.92 3hk6 h GLU 86 N 6.32 0.71 -3.16 1.70 4.81 0.95 -3.43 114.58 122.47 3hk6 h GLU 86 Ca -0.42 -0.58 -0.01 0.00 -0.13 0.00 0.00 59.36 58.22 3hk6 h GLU 86 Cb 1.21 0.12 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 3hk6 h GLU 86 CO 0.74 1.19 0.11 0.15 -0.73 0.00 0.00 179.01 180.47 3hk6 s LYS 87 N -3.71 1.36 -0.07 1.92 1.02 -1.22 -4.96 119.74 114.07 3hk6 s LYS 87 Ca -0.11 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.20 3hk6 s LYS 87 Cb 0.07 0.55 0.01 0.00 -0.52 0.00 0.00 37.83 37.95 3hk6 s LYS 87 CO 0.88 -0.59 -0.17 0.42 -0.92 0.00 0.00 175.35 174.98 3hk6 s ILE 88 N -3.82 1.47 -0.36 2.17 1.01 -1.26 -1.62 121.20 118.79 3hk6 s ILE 88 Ca 0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3hk6 s ILE 88 Cb -0.01 -1.30 0.09 0.00 0.01 0.00 0.00 42.46 41.25 3hk6 s ILE 88 CO -0.07 0.43 0.10 -0.31 0.00 0.00 0.00 174.94 175.09 3hk6 s TYR 89 N 0.48 3.54 0.22 3.97 1.51 0.79 -4.93 117.35 122.93 3hk6 s TYR 89 Ca -0.15 -2.42 -0.23 0.00 -1.01 0.00 0.00 57.07 53.27 3hk6 s TYR 89 Cb -0.16 -2.81 -0.08 0.00 -0.11 0.00 0.00 41.96 38.79 3hk6 s TYR 89 CO 0.05 -0.92 0.78 0.08 -1.11 0.00 0.00 175.55 174.43 3hk6 s VAL 90 N 1.11 4.44 0.28 0.71 1.01 -1.26 0.14 120.40 126.82 3hk6 s VAL 90 Ca 0.05 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 3hk6 s VAL 90 Cb -0.21 -3.97 -0.13 0.00 0.00 0.00 0.00 36.38 32.06 3hk6 s VAL 90 CO -0.04 0.29 1.23 1.57 0.00 0.00 0.00 175.10 178.15 3hk6 n HIS 91 N 0.96 1.85 0.96 5.22 -0.00 -1.00 -4.85 115.22 118.36 3hk6 n HIS 91 Ca -0.03 0.57 0.13 0.00 0.46 0.00 0.00 57.72 58.86 3hk6 n HIS 91 Cb 0.50 -2.37 0.50 0.00 -0.12 0.00 0.00 29.99 28.50 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 1.17 0.03 -0.04 1.57 -0.02 -1.26 -3.15 135.00 133.30 3hk6 n PRO 92 Ca 0.09 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.49 3hk6 n PRO 92 Cb 0.32 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.13 3hk6 n PRO 92 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hk6 n ARG 93 N -1.58 0.66 -1.28 -0.52 1.74 -1.26 -4.91 116.66 109.51 3hk6 n ARG 93 Ca 0.06 0.21 -0.58 0.00 -0.77 0.00 0.00 57.85 56.78 3hk6 n ARG 93 Cb 0.35 -1.71 -0.12 0.00 -1.02 0.00 0.00 32.46 29.96 3hk6 n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3hk6 n TYR 94 N -3.00 1.14 -3.82 -1.55 9.36 -1.19 -4.91 117.16 113.19 3hk6 n TYR 94 Ca -0.23 0.71 -0.31 0.00 3.32 0.00 0.00 57.90 61.39 3hk6 n TYR 94 Cb 1.08 -2.31 -0.11 0.00 -0.63 0.00 0.00 39.34 37.37 3hk6 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3hk6 s ASN 95 N 6.32 5.09 0.45 2.98 3.84 -1.26 -4.94 114.94 127.42 3hk6 s ASN 95 Ca 1.21 -3.61 0.32 0.00 0.21 0.00 0.00 52.86 50.99 3hk6 s ASN 95 Cb -1.45 -1.73 1.46 0.00 -0.55 0.00 0.00 41.25 38.99 3hk6 s ASN 95 CO 0.64 -0.16 1.61 4.11 -2.79 0.00 0.00 177.10 180.52 3hk6 h TRP 96 N 5.87 0.47 -0.01 0.43 5.08 -1.87 0.74 115.95 126.67 3hk6 h TRP 96 Ca 0.10 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.09 3hk6 h TRP 96 Cb 0.81 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 26.85 3hk6 h TRP 96 CO 0.67 -0.20 0.01 0.00 -1.28 0.00 0.00 178.44 177.64 3hk6 h ARG 97 N 0.07 0.00 0.00 0.12 3.08 -1.95 -3.34 114.38 112.35 3hk6 h ARG 97 Ca 0.84 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.75 3hk6 h ARG 97 Cb 2.70 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.72 3hk6 h ARG 97 CO -0.39 0.00 -1.50 0.39 -1.07 0.00 0.00 179.97 177.40 3hk6 n GLU 97 N -3.45 1.61 0.00 0.04 -0.58 0.25 -5.14 120.64 113.38 3hk6 n GLU 97 Ca -0.03 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3hk6 n GLU 97 Cb 0.09 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 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 -2.50 0.00 -0.39 1.62 0.23 -1.09 -5.02 115.26 108.11 3hk6 n ASN 98 Ca -0.14 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.91 3hk6 n ASN 98 Cb 0.70 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 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 0.57 -4.64 -4.53 4.77 -1.26 -4.41 117.00 107.49 3hk6 n LEU 99 Ca 0.00 -0.28 -0.43 0.00 -0.03 0.00 0.00 56.01 55.27 3hk6 n LEU 99 Cb 0.00 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 3hk6 n LEU 99 CO 0.00 0.14 1.67 -0.67 -1.33 0.00 0.00 177.39 177.21 3hk6 n ASP 100 N 0.00 3.89 -2.08 -1.43 4.64 -1.26 -2.37 116.55 117.95 3hk6 n ASP 100 Ca 0.00 0.71 -0.10 0.00 -1.38 0.00 0.00 54.79 54.02 3hk6 n ASP 100 Cb 0.14 -1.53 0.04 0.00 -1.04 0.00 0.00 41.12 38.73 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 7.85 -3.57 -2.05 -0.67 1.74 -1.26 -4.12 116.66 114.58 3hk6 n ARG 101 Ca 0.23 0.41 -0.27 0.00 -0.77 0.00 0.00 57.85 57.45 3hk6 n ARG 101 Cb 0.41 -4.14 -0.05 0.00 -1.02 0.00 0.00 32.46 27.67 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 -3.38 5.10 -0.04 0.55 -1.08 -1.00 -4.60 116.67 112.22 3hk6 s ASP 102 Ca 0.16 -0.88 -0.21 0.00 -0.52 0.00 0.00 52.55 51.09 3hk6 s ASP 102 Cb -0.07 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3hk6 s ASP 102 CO 0.35 -2.83 0.47 -0.51 0.52 0.00 0.00 175.17 173.17 3hk6 s ILE 103 N 10.35 0.03 -0.25 4.11 2.07 -1.26 -3.86 121.20 132.38 3hk6 s ILE 103 Ca 0.70 -0.25 -0.23 0.00 -1.41 0.00 0.00 60.65 59.46 3hk6 s ILE 103 Cb -0.05 -0.77 0.07 0.00 0.13 0.00 0.00 42.46 41.83 3hk6 s ILE 103 CO 0.02 -0.14 0.67 0.00 -1.91 0.00 0.00 174.94 173.59 3hk6 s ALA 104 N -1.14 -1.67 -0.17 1.50 0.00 -0.60 -2.39 121.76 117.29 3hk6 s ALA 104 Ca -0.11 1.92 -0.06 0.00 0.00 0.00 0.00 51.96 53.70 3hk6 s ALA 104 Cb -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3hk6 s ALA 104 CO 0.06 -0.32 0.04 -0.51 0.00 0.00 0.00 175.76 175.04 3hk6 s LEU 105 N 0.44 3.73 -0.18 0.00 1.43 0.36 -2.03 118.68 122.43 3hk6 s LEU 105 Ca -0.01 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3hk6 s LEU 105 Cb -0.05 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3hk6 s LEU 105 CO -0.00 0.20 -0.11 -0.76 0.23 0.00 0.00 176.35 175.91 3hk6 s LEU 106 N 0.20 2.64 -0.26 1.79 1.43 -0.22 0.28 118.68 124.53 3hk6 s LEU 106 Ca 0.03 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 3hk6 s LEU 106 Cb -0.12 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 3hk6 s LEU 106 CO 0.01 0.04 0.23 -0.75 0.23 0.00 0.00 176.35 176.11 3hk6 s LYS 107 N 1.09 4.00 0.12 1.70 2.20 -0.64 -1.81 119.74 126.41 3hk6 s LYS 107 Ca 0.00 -0.21 -0.25 0.00 -0.36 0.00 0.00 55.97 55.15 3hk6 s LYS 107 Cb -0.15 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.48 3hk6 s LYS 107 CO -0.03 -0.13 0.77 -0.51 -0.36 0.00 0.00 175.35 175.09 3hk6 s LEU 108 N 1.61 4.54 0.12 5.43 1.43 -0.17 0.14 118.68 131.78 3hk6 s LEU 108 Ca 0.09 1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 54.53 3hk6 s LEU 108 Cb -0.15 -3.26 -0.06 0.00 0.03 0.00 0.00 46.19 42.74 3hk6 s LEU 108 CO 0.09 0.14 1.68 0.11 0.23 0.00 0.00 176.35 178.60 3hk6 h LYS 109 N 4.84 -0.17 -5.85 1.70 1.57 -1.62 -3.40 116.57 113.64 3hk6 h LYS 109 Ca -0.46 0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 57.68 3hk6 h LYS 109 Cb 1.21 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.48 3hk6 h LYS 109 CO 0.68 -0.11 -0.53 0.15 -0.57 0.00 0.00 179.45 179.07 3hk6 s LYS 110 N -6.16 3.28 0.50 3.15 1.02 -1.26 -5.00 119.74 115.27 3hk6 s LYS 110 Ca -0.14 -0.35 -0.22 0.00 0.02 0.00 0.00 55.97 55.29 3hk6 s LYS 110 Cb 0.09 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3hk6 s LYS 110 CO 0.67 0.69 0.99 -0.35 -0.92 0.00 0.00 175.35 176.43 3hk6 n PRO 111 N 1.32 1.18 -3.28 -1.68 -0.04 -1.25 -4.85 135.00 126.41 3hk6 n PRO 111 Ca -0.14 0.43 -0.39 0.00 -0.04 0.00 0.00 63.50 63.37 3hk6 n PRO 111 Cb 0.53 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 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 -1.39 4.91 0.26 0.52 0.11 0.20 -4.98 120.40 120.03 3hk6 s VAL 112 Ca 0.68 1.15 -0.29 0.00 -2.93 0.00 0.00 61.98 60.59 3hk6 s VAL 112 Cb -0.49 -3.88 -0.09 0.00 -1.53 0.00 0.00 36.38 30.39 3hk6 s VAL 112 CO 0.53 0.47 1.00 -2.16 -3.33 0.00 0.00 175.10 171.61 3hk6 s PRO 113 N -0.46 4.74 0.86 1.54 0.04 -1.26 -4.62 135.00 135.84 3hk6 s PRO 113 Ca 0.29 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 3hk6 s PRO 113 Cb -0.18 -3.20 0.16 0.00 0.04 0.00 0.00 34.50 31.33 3hk6 s PRO 113 CO 0.16 0.37 1.19 -0.06 0.04 0.00 0.00 177.00 178.71 3hk6 s PHE 114 N -1.21 1.72 -2.58 0.56 0.40 -1.26 -4.89 117.98 110.72 3hk6 s PHE 114 Ca 0.43 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 3hk6 s PHE 114 Cb -0.28 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 39.58 3hk6 s PHE 114 CO 0.35 -2.24 0.00 -1.13 0.70 0.00 0.00 175.22 172.90 3hk6 n SER 115 N -3.40 0.00 0.22 1.36 3.41 -0.95 -4.91 113.62 109.36 3hk6 n SER 115 Ca 0.14 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.82 3hk6 n SER 115 Cb 0.60 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 65.05 3hk6 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hk6 h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -2.00 -3.32 116.42 118.46 3hk6 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hk6 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hk6 h ASP 116 CO 0.00 0.25 -1.12 -1.22 -1.72 0.00 0.00 179.24 175.43 3hk6 n TYR 117 N -3.93 0.00 -3.84 4.55 4.01 -1.26 -4.74 117.16 111.95 3hk6 n TYR 117 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 3hk6 n TYR 117 Cb 0.33 -0.10 -0.13 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.24 3.77 -0.30 -0.72 1.01 -1.25 -4.15 121.20 117.33 3hk6 s ILE 118 Ca -0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 3hk6 s ILE 118 Cb 0.03 -2.77 0.17 0.00 0.01 0.00 0.00 42.46 39.90 3hk6 s ILE 118 CO 0.19 0.35 1.03 -2.28 0.00 0.00 0.00 174.94 174.23 3hk6 s HIS 119 N 1.53 -0.59 0.54 3.97 2.46 0.18 -2.25 115.29 121.14 3hk6 s HIS 119 Ca 0.06 1.02 -0.19 0.00 0.47 0.00 0.00 55.06 56.42 3hk6 s HIS 119 Cb -0.15 0.35 -0.06 0.00 -0.13 0.00 0.00 32.58 32.59 3hk6 s HIS 119 CO -0.00 -0.29 1.13 -1.25 -2.47 0.00 0.00 174.74 171.86 3hk6 s PRO 120 N 2.32 3.35 0.52 2.88 0.04 -1.26 -2.10 135.00 140.75 3hk6 s PRO 120 Ca -0.03 1.61 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 3hk6 s PRO 120 Cb -0.05 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.50 3hk6 s PRO 120 CO -0.17 -0.85 0.77 0.54 0.04 0.00 0.00 177.00 177.32 3hk6 s VAL 121 N -1.77 3.39 0.05 -0.36 0.11 -0.85 -4.89 120.40 116.08 3hk6 s VAL 121 Ca 0.73 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 3hk6 s VAL 121 Cb -0.24 -3.29 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 3hk6 s VAL 121 CO 0.27 -0.22 0.33 0.00 -3.33 0.00 0.00 175.10 172.15 3hk6 s LEU 123 N -1.94 4.48 0.82 0.00 1.43 -1.26 -1.33 118.68 120.88 3hk6 s LEU 123 Ca 0.31 1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 3hk6 s LEU 123 Cb -0.13 -2.78 0.09 0.00 0.03 0.00 0.00 46.19 43.39 3hk6 s LEU 123 CO 0.18 0.25 1.10 -2.16 0.23 0.00 0.00 176.35 175.95 3hk6 s PRO 124 N -0.86 1.86 0.14 1.29 0.04 -1.26 -4.94 135.00 131.27 3hk6 s PRO 124 Ca 0.27 1.15 0.11 0.00 0.04 0.00 0.00 61.00 62.57 3hk6 s PRO 124 Cb -0.18 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3hk6 s PRO 124 CO 0.16 -1.91 -0.25 0.16 0.04 0.00 0.00 177.00 175.20 3hk6 s ASP 125 N -3.29 3.43 0.17 6.66 -4.77 -1.26 -4.90 116.67 112.72 3hk6 s ASP 125 Ca 0.62 -0.75 -0.05 0.00 -3.30 0.00 0.00 52.55 49.07 3hk6 s ASP 125 Cb -0.18 -0.28 0.28 0.00 -1.09 0.00 0.00 42.92 41.65 3hk6 s ASP 125 CO 0.57 0.16 0.98 1.17 0.70 0.00 0.00 175.17 178.75 3hk6 n LYS 126 N 0.73 -0.06 -0.13 2.11 4.81 -1.26 0.46 118.16 124.82 3hk6 n LYS 126 Ca -0.16 0.98 -0.04 0.00 -0.87 0.00 0.00 58.31 58.21 3hk6 n LYS 126 Cb 0.54 -1.46 -0.04 0.00 0.02 0.00 0.00 35.03 34.09 3hk6 n LYS 126 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 3hk6 h GLN 127 N 0.00 -0.03 -0.56 1.64 5.75 -2.00 0.04 115.11 119.94 3hk6 h GLN 127 Ca 0.29 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.91 3hk6 h GLN 127 Cb 0.45 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.92 3hk6 h GLN 127 CO -0.64 -0.02 0.06 1.79 -2.65 0.00 0.00 178.83 177.36 3hk6 h THR 128 N -0.03 0.60 -0.31 2.39 1.35 -0.39 -2.54 112.91 113.98 3hk6 h THR 128 Ca 0.05 -0.06 0.07 0.00 -0.55 0.00 0.00 66.41 65.92 3hk6 h THR 128 Cb 0.16 0.41 -0.07 0.00 -1.73 0.00 0.00 68.15 66.92 3hk6 h THR 128 CO -0.31 0.03 -0.19 0.58 -0.25 0.00 0.00 175.52 175.38 3hk6 h VAL 129 N 0.18 0.46 -0.82 6.82 2.07 -0.46 0.72 116.25 125.22 3hk6 h VAL 129 Ca 0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.82 3hk6 h VAL 129 Cb 0.44 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3hk6 h VAL 129 CO -0.43 0.00 0.53 0.71 0.02 0.00 0.00 177.57 178.40 3hk6 h THR 129 N -0.16 1.22 0.00 2.57 1.35 -0.62 -1.83 112.91 115.44 3hk6 h THR 129 Ca 0.16 -0.43 -0.13 0.00 -0.55 0.00 0.00 66.41 65.46 3hk6 h THR 129 Cb 0.40 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.83 3hk6 h THR 129 CO -0.40 0.22 -0.96 0.77 -0.25 0.00 0.00 175.52 174.89 3hk6 h SER 129 N 1.12 0.00 0.00 5.36 4.64 -0.96 -3.42 113.55 120.29 3hk6 h SER 129 Ca 0.30 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.43 3hk6 h SER 129 Cb -0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3hk6 h SER 129 CO -0.06 0.51 -1.71 0.18 -0.87 0.00 0.00 176.83 174.88 3hk6 n LEU 129 N -3.04 2.49 -4.57 5.97 4.77 0.24 -4.83 117.00 118.03 3hk6 n LEU 129 Ca -0.04 -0.06 -0.33 0.00 -0.03 0.00 0.00 56.01 55.56 3hk6 n LEU 129 Cb 0.78 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3hk6 n LEU 129 CO 0.42 0.64 1.56 -0.22 -1.33 0.00 0.00 177.39 178.45 3hk6 s LEU 130 N -5.57 3.32 0.01 2.23 2.96 -0.70 -4.81 118.68 116.12 3hk6 s LEU 130 Ca -0.15 -1.54 0.02 0.00 -0.22 0.00 0.00 54.13 52.24 3hk6 s LEU 130 Cb 0.04 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 3hk6 s LEU 130 CO 0.31 -2.33 -0.06 -0.13 -1.32 0.00 0.00 176.35 172.82 3hk6 s ARG 131 N 5.89 0.48 -0.34 1.98 0.52 -1.26 -4.90 118.95 121.32 3hk6 s ARG 131 Ca 0.62 -0.38 -0.37 0.00 -0.52 0.00 0.00 55.73 55.07 3hk6 s ARG 131 Cb -0.01 -0.40 -0.13 0.00 0.52 0.00 0.00 34.95 34.93 3hk6 s ARG 131 CO 0.05 0.10 2.06 0.00 0.02 0.00 0.00 175.30 177.53 3hk6 n ALA 132 N 2.46 0.66 0.00 2.13 0.00 -1.26 -0.90 120.51 123.60 3hk6 n ALA 132 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3hk6 n ALA 132 Cb 0.57 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.61 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 5.98 2.27 3.71 0.00 0.00 0.32 -4.92 105.19 112.56 3hk6 n GLY 133 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.41 2.97 0.39 1.61 1.51 -0.08 -4.47 117.35 116.87 3hk6 s TYR 134 Ca 0.00 0.60 -0.16 0.00 -1.01 0.00 0.00 57.07 56.50 3hk6 s TYR 134 Cb 0.00 -3.91 -0.09 0.00 -0.11 0.00 0.00 41.96 37.84 3hk6 s TYR 134 CO 0.00 -3.41 0.83 0.15 -1.11 0.00 0.00 175.55 172.01 3hk6 s LYS 135 N 1.38 4.03 0.37 -0.62 1.02 -1.26 0.13 119.74 124.79 3hk6 s LYS 135 Ca 0.70 0.80 0.04 0.00 0.02 0.00 0.00 55.97 57.54 3hk6 s LYS 135 Cb -0.43 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 3hk6 s LYS 135 CO 0.31 0.02 0.14 0.20 -0.92 0.00 0.00 175.35 175.11 3hk6 s GLY 136 N -2.47 2.39 -0.22 -3.33 0.00 0.39 -4.90 107.32 99.19 3hk6 s GLY 136 Ca 0.57 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.78 3hk6 s GLY 136 CO 0.20 -1.74 -0.08 -1.60 0.00 0.00 0.00 173.10 169.88 3hk6 s ARG 137 N -3.73 1.86 0.15 2.90 3.52 0.01 -0.55 118.95 123.10 3hk6 s ARG 137 Ca 0.29 -0.92 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 3hk6 s ARG 137 Cb 0.04 -2.49 -0.07 0.00 -1.56 0.00 0.00 34.95 30.86 3hk6 s ARG 137 CO 0.16 -0.50 0.52 0.08 -0.81 0.00 0.00 175.30 174.75 3hk6 s VAL 138 N 1.39 4.92 -0.05 7.11 1.01 0.59 -1.68 120.40 133.69 3hk6 s VAL 138 Ca -0.03 0.68 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3hk6 s VAL 138 Cb -0.17 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3hk6 s VAL 138 CO -0.07 0.19 0.01 0.28 0.00 0.00 0.00 175.10 175.51 3hk6 s THR 139 N -1.52 0.20 0.37 3.92 -1.32 -1.21 -1.77 115.64 114.30 3hk6 s THR 139 Ca 0.39 0.16 -0.16 0.00 -1.21 0.00 0.00 61.69 60.87 3hk6 s THR 139 Cb -0.14 -0.34 0.06 0.00 -1.51 0.00 0.00 72.50 70.56 3hk6 s THR 139 CO 0.19 0.19 0.81 -0.83 -2.21 0.00 0.00 174.62 172.77 3hk6 s GLY 140 N 1.58 0.33 -0.17 6.08 0.00 -0.92 -4.27 107.32 109.96 3hk6 s GLY 140 Ca -0.02 -0.70 0.17 0.00 0.00 0.00 0.00 44.72 44.17 3hk6 s GLY 140 CO -0.03 -0.11 1.28 0.79 0.00 0.00 0.00 173.10 175.03 3hk6 n TRP 141 N -0.54 0.43 -1.87 1.90 8.01 -1.26 -1.57 117.44 122.54 3hk6 n TRP 141 Ca -0.08 -1.06 -0.29 0.00 -1.31 0.00 0.00 57.50 54.76 3hk6 n TRP 141 Cb 0.60 -0.25 0.13 0.00 -2.01 0.00 0.00 31.31 29.78 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 -2.55 1.65 0.42 6.99 0.00 -1.26 -4.57 107.32 108.00 3hk6 s GLY 142 Ca 0.37 -0.83 -0.26 0.00 0.00 0.00 0.00 44.72 44.00 3hk6 s GLY 142 CO 0.04 -0.24 1.44 0.70 0.00 0.00 0.00 173.10 175.04 3hk6 n ASN 143 N -3.52 3.43 0.09 1.64 3.02 -1.26 -2.64 115.26 116.03 3hk6 n ASN 143 Ca 0.10 1.17 0.04 0.00 -0.03 0.00 0.00 54.58 55.86 3hk6 n ASN 143 Cb 0.60 -1.60 -0.01 0.00 -0.61 0.00 0.00 39.78 38.16 3hk6 n ASN 143 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hk6 h LEU 144 N 2.54 0.00 -8.39 3.41 3.38 -0.00 -1.27 115.31 114.98 3hk6 h LEU 144 Ca -0.50 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.17 3hk6 h LEU 144 Cb 1.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 3hk6 h LEU 144 CO 0.62 0.39 -0.73 -0.13 0.09 0.00 0.00 178.44 178.68 3hk6 s ARG 145 N -3.05 0.77 0.15 1.13 0.52 -1.26 -3.99 118.95 113.23 3hk6 s ARG 145 Ca 0.00 -1.09 -0.34 0.00 -0.52 0.00 0.00 55.73 53.79 3hk6 s ARG 145 Cb 0.08 -0.45 -0.14 0.00 0.52 0.00 0.00 34.95 34.97 3hk6 s ARG 145 CO 0.78 0.06 1.56 -0.85 0.02 0.00 0.00 175.30 176.87 3hk6 n GLU 146 N 0.70 2.06 -2.35 3.54 0.28 -1.26 -4.66 120.64 118.95 3hk6 n GLU 146 Ca -0.17 0.74 -0.38 0.00 -0.16 0.00 0.00 57.16 57.19 3hk6 n GLU 146 Cb 0.57 -2.50 -0.03 0.00 1.43 0.00 0.00 31.44 30.91 3hk6 n GLU 146 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3hk6 s THR 147 N 0.93 3.28 0.00 3.84 -4.23 -1.26 -4.89 115.64 113.30 3hk6 s THR 147 Ca 0.79 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 62.39 3hk6 s THR 147 Cb -0.70 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 69.52 3hk6 s THR 147 CO 0.39 0.11 0.00 0.79 -0.54 0.00 0.00 174.62 175.37 3hk6 n TRP 148 N 0.19 0.00 0.00 3.99 8.01 -1.26 -5.06 117.44 123.32 3hk6 n TRP 148 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 3hk6 n TRP 148 Cb 0.47 -1.23 0.00 0.00 -2.01 0.00 0.00 31.31 28.54 3hk6 n TRP 148 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.69 174.31 3hk6 n THR 149 N -0.81 0.00 -3.88 -0.99 5.66 -1.26 -5.13 114.28 107.86 3hk6 n THR 149 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 3hk6 n THR 149 Cb 0.39 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.03 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 0.11 -0.21 1.09 3.84 -1.26 -5.07 114.94 113.43 3hk6 s ASN 149 Ca 0.00 -0.00 -0.37 0.00 0.21 0.00 0.00 52.86 52.70 3hk6 s ASN 149 Cb 0.00 -0.04 -0.13 0.00 -0.55 0.00 0.00 41.25 40.53 3hk6 s ASN 149 CO 0.00 -0.03 1.87 -0.38 -2.79 0.00 0.00 177.10 175.77 3hk6 n ILE 149 N 3.40 0.42 0.00 -5.21 -0.00 -1.26 -0.99 119.36 115.71 3hk6 n ILE 149 Ca -0.17 -0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.47 3hk6 n ILE 149 Cb 0.57 -1.57 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 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 6.58 0.00 -3.31 4.38 3.02 -1.26 -5.00 115.26 119.67 3hk6 n ASN 149 Ca 0.27 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.68 3hk6 n ASN 149 Cb 0.22 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.13 0.00 3.52 4.71 -0.17 -4.62 120.64 123.96 3hk6 n GLU 149 Ca 0.00 -1.40 0.00 0.00 -0.01 0.00 0.00 57.16 55.75 3hk6 n GLU 149 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.91 3hk6 n GLU 149 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 3hk6 n ILE 150 N -2.51 0.00 -2.03 -3.67 -5.35 -1.26 -4.71 119.36 99.82 3hk6 n ILE 150 Ca 0.09 0.00 -0.43 0.00 -0.27 0.00 0.00 62.75 62.15 3hk6 n ILE 150 Cb 0.33 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.20 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 0.00 3.99 -0.06 6.28 -0.21 -1.26 0.70 119.66 129.11 3hk6 s GLN 151 Ca 0.00 1.98 -0.30 0.00 0.02 0.00 0.00 55.36 57.06 3hk6 s GLN 151 Cb 0.00 -4.02 -0.02 0.00 1.00 0.00 0.00 33.01 29.97 3hk6 s GLN 151 CO 0.00 -1.07 1.04 -1.25 -2.12 0.00 0.00 175.29 171.89 3hk6 s PRO 152 N 4.38 4.46 0.18 2.91 0.04 -1.26 -4.73 135.00 140.97 3hk6 s PRO 152 Ca 0.74 1.46 0.26 0.00 0.04 0.00 0.00 61.00 63.50 3hk6 s PRO 152 Cb -0.30 -3.51 0.89 0.00 0.04 0.00 0.00 34.50 31.62 3hk6 s PRO 152 CO 0.29 -0.25 1.80 -1.13 0.04 0.00 0.00 177.00 177.75 3hk6 n SER 153 N 4.63 0.66 -4.20 6.66 3.41 -1.26 -4.46 113.62 119.06 3hk6 n SER 153 Ca 0.08 0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 3hk6 n SER 153 Cb 0.49 -0.74 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 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 -3.10 0.71 0.52 -3.33 -7.23 -1.26 -2.63 120.40 104.08 3hk6 s VAL 154 Ca 0.11 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 3hk6 s VAL 154 Cb 0.13 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 3hk6 s VAL 154 CO 0.57 0.00 1.07 -0.22 -0.31 0.00 0.00 175.10 176.21 3hk6 s LEU 155 N -3.54 3.78 0.02 1.32 2.96 -0.12 -4.75 118.68 118.35 3hk6 s LEU 155 Ca 0.29 2.02 0.08 0.00 -0.22 0.00 0.00 54.13 56.30 3hk6 s LEU 155 Cb 0.05 -4.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.14 3hk6 s LEU 155 CO 0.15 -0.98 -0.25 -1.10 -1.32 0.00 0.00 176.35 172.84 3hk6 s GLN 156 N -3.31 1.87 -0.04 1.98 -1.52 -0.61 -1.22 119.66 116.81 3hk6 s GLN 156 Ca 0.69 -1.01 0.06 0.00 -1.95 0.00 0.00 55.36 53.15 3hk6 s GLN 156 Cb -0.19 -1.94 -0.01 0.00 -0.22 0.00 0.00 33.01 30.65 3hk6 s GLN 156 CO 0.24 0.51 -0.21 0.08 -0.25 0.00 0.00 175.29 175.66 3hk6 s VAL 157 N -0.71 1.69 -0.00 1.09 1.01 -0.42 -2.16 120.40 120.89 3hk6 s VAL 157 Ca 0.10 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 60.99 3hk6 s VAL 157 Cb -0.10 -1.43 0.04 0.00 0.00 0.00 0.00 36.38 34.90 3hk6 s VAL 157 CO 0.01 0.48 0.47 0.54 0.00 0.00 0.00 175.10 176.59 3hk6 s VAL 158 N -0.24 0.04 -0.19 2.92 0.11 -0.73 -2.14 120.40 120.17 3hk6 s VAL 158 Ca 0.01 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.71 3hk6 s VAL 158 Cb -0.11 -0.84 -0.03 0.00 -1.53 0.00 0.00 36.38 33.87 3hk6 s VAL 158 CO 0.01 -0.17 -0.01 0.20 -3.33 0.00 0.00 175.10 171.81 3hk6 s ASN 159 N -1.51 4.84 -0.01 3.54 0.01 -1.26 -0.30 114.94 120.26 3hk6 s ASN 159 Ca -0.10 -0.18 0.05 0.00 -0.71 0.00 0.00 52.86 51.92 3hk6 s ASN 159 Cb -0.02 -1.82 -0.01 0.00 0.41 0.00 0.00 41.25 39.81 3hk6 s ASN 159 CO 0.04 0.09 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.81 3hk6 s LEU 160 N 0.84 2.04 0.08 0.60 1.43 0.29 -4.89 118.68 119.07 3hk6 s LEU 160 Ca 0.00 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 3hk6 s LEU 160 Cb -0.14 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 3hk6 s LEU 160 CO 0.02 0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.68 3hk6 s PRO 161 N -0.42 4.57 0.06 1.29 0.04 -1.26 -0.46 135.00 138.82 3hk6 s PRO 161 Ca 0.06 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 3hk6 s PRO 161 Cb -0.06 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.03 3hk6 s PRO 161 CO -0.00 -0.02 1.70 0.42 0.04 0.00 0.00 177.00 179.14 3hk6 s ILE 162 N 0.49 3.01 0.28 0.56 1.01 0.12 -2.26 121.20 124.41 3hk6 s ILE 162 Ca 0.52 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 61.39 3hk6 s ILE 162 Cb -0.26 -3.27 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 3hk6 s ILE 162 CO 0.30 -0.01 0.79 -0.69 0.00 0.00 0.00 174.94 175.33 3hk6 s VAL 163 N 2.87 4.51 0.23 2.92 1.01 0.15 0.12 120.40 132.22 3hk6 s VAL 163 Ca 0.76 1.33 -0.31 0.00 0.00 0.00 0.00 61.98 63.75 3hk6 s VAL 163 Cb -0.40 -3.82 -0.13 0.00 0.00 0.00 0.00 36.38 32.03 3hk6 s VAL 163 CO 0.33 0.07 1.50 -0.62 0.00 0.00 0.00 175.10 176.38 3hk6 n GLU 164 N 0.36 2.24 0.08 2.72 4.71 -1.26 -4.65 120.64 124.85 3hk6 n GLU 164 Ca 0.00 0.80 -0.12 0.00 -0.01 0.00 0.00 57.16 57.84 3hk6 n GLU 164 Cb 0.52 -2.52 -0.05 0.00 -1.01 0.00 0.00 31.44 28.38 3hk6 n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hk6 h ARG 165 N 4.80 -0.40 0.00 3.49 2.43 -1.96 -2.39 114.38 120.34 3hk6 h ARG 165 Ca -0.45 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3hk6 h ARG 165 Cb 1.26 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3hk6 h ARG 165 CO 0.80 -0.27 0.00 -0.35 -1.51 0.00 0.00 179.97 178.64 3hk6 n PRO 166 N -5.37 0.07 -0.04 0.20 -0.04 -1.26 -2.13 135.00 126.43 3hk6 n PRO 166 Ca -0.05 0.44 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 3hk6 n PRO 166 Cb 0.29 -1.68 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 3hk6 n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hk6 h VAL 167 N 0.00 0.77 0.50 0.52 2.07 -1.81 -2.67 116.25 115.63 3hk6 h VAL 167 Ca 0.00 -2.27 -0.02 0.00 0.82 0.00 0.00 66.70 65.24 3hk6 h VAL 167 Cb 0.16 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3hk6 h VAL 167 CO 0.00 0.62 -0.49 0.00 0.02 0.00 0.00 177.57 177.72 3hk6 n LYS 169 N -5.41 -0.05 0.05 0.00 0.00 -0.90 0.01 118.16 111.85 3hk6 n LYS 169 Ca -0.12 0.98 0.12 0.00 0.00 0.00 0.00 58.31 59.30 3hk6 n LYS 169 Cb 0.45 -1.59 0.20 0.00 0.00 0.00 0.00 35.03 34.08 3hk6 n LYS 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hk6 n ALA 170 N -3.20 3.04 0.68 3.14 0.00 -1.01 -3.79 120.51 119.37 3hk6 n ALA 170 Ca 0.17 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3hk6 n ALA 170 Cb 0.56 -1.17 0.21 0.00 0.00 0.00 0.00 19.45 19.06 3hk6 n ALA 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hk6 n SER 171 N -1.97 0.63 -3.83 0.00 3.41 0.10 -4.89 113.62 107.07 3hk6 n SER 171 Ca 0.04 0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.61 3hk6 n SER 171 Cb 0.42 0.12 -0.09 0.00 -0.26 0.00 0.00 64.21 64.40 3hk6 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hk6 s THR 172 N -3.12 0.09 -2.04 6.66 -1.32 -1.18 -4.77 115.64 109.95 3hk6 s THR 172 Ca 0.08 -0.70 0.24 0.00 -1.21 0.00 0.00 61.69 60.09 3hk6 s THR 172 Cb 0.14 -0.64 0.65 0.00 -1.51 0.00 0.00 72.50 71.15 3hk6 s THR 172 CO 0.70 -0.39 1.88 0.54 -2.21 0.00 0.00 174.62 175.14 3hk6 n ARG 173 N 1.14 1.08 -2.90 7.08 5.12 -1.26 -4.82 116.66 122.11 3hk6 n ARG 173 Ca -0.21 -0.12 -0.40 0.00 -1.93 0.00 0.00 57.85 55.19 3hk6 n ARG 173 Cb 0.57 -1.38 -0.05 0.00 -1.16 0.00 0.00 32.46 30.44 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 -1.99 4.61 0.12 0.55 1.01 -1.26 -5.03 121.20 119.22 3hk6 s ILE 174 Ca 0.35 1.79 -0.34 0.00 0.00 0.00 0.00 60.65 62.45 3hk6 s ILE 174 Cb 0.17 -4.19 -0.13 0.00 0.01 0.00 0.00 42.46 38.31 3hk6 s ILE 174 CO 0.28 0.36 1.63 -1.14 0.00 0.00 0.00 174.94 176.07 3hk6 n ARG 175 N 2.67 2.19 -3.05 2.79 3.00 -1.26 -4.95 116.66 118.05 3hk6 n ARG 175 Ca -0.01 0.79 -0.44 0.00 -0.00 0.00 0.00 57.85 58.19 3hk6 n ARG 175 Cb 0.50 -2.58 -0.04 0.00 0.00 0.00 0.00 32.46 30.34 3hk6 n ARG 175 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hk6 s ILE 176 N 1.43 4.72 0.98 5.15 -1.09 -1.26 -4.91 121.20 126.21 3hk6 s ILE 176 Ca 0.81 -0.90 -0.12 0.00 -2.23 0.00 0.00 60.65 58.20 3hk6 s ILE 176 Cb -0.67 -4.55 0.18 0.00 -1.58 0.00 0.00 42.46 35.84 3hk6 s ILE 176 CO 0.40 -1.22 1.09 0.42 -1.23 0.00 0.00 174.94 174.40 3hk6 s THR 177 N 2.95 2.23 -1.32 2.92 -4.23 -1.26 -4.80 115.64 112.13 3hk6 s THR 177 Ca 0.15 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.76 3hk6 s THR 177 Cb -0.22 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.12 3hk6 s THR 177 CO 0.06 -0.10 0.94 -0.67 -0.54 0.00 0.00 174.62 174.32 3hk6 n ASP 178 N -4.13 0.00 -1.66 3.99 2.03 -1.26 -2.37 116.55 113.16 3hk6 n ASP 178 Ca 0.06 0.31 -0.04 0.00 0.52 0.00 0.00 54.79 55.64 3hk6 n ASP 178 Cb 0.57 -0.34 0.27 0.00 -0.72 0.00 0.00 41.12 40.90 3hk6 n ASP 178 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3hk6 n ASN 179 N -1.34 4.17 -4.08 1.67 3.02 -1.26 -4.97 115.26 112.46 3hk6 n ASN 179 Ca 0.01 -3.31 -0.09 0.00 -0.03 0.00 0.00 54.58 51.15 3hk6 n ASN 179 Cb 0.02 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 38.39 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 -3.03 0.59 0.31 3.52 -1.94 -1.00 0.26 119.30 118.02 3hk6 s MET 180 Ca 0.51 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.46 3hk6 s MET 180 Cb 0.42 -0.00 -0.02 0.00 2.01 0.00 0.00 34.83 37.23 3hk6 s MET 180 CO 0.10 -0.05 0.33 -0.59 -0.01 0.00 0.00 175.02 174.80 3hk6 s PHE 181 N -2.91 1.41 0.00 -0.03 -0.12 -0.63 -4.82 117.98 110.88 3hk6 s PHE 181 Ca 0.01 -1.48 0.02 0.00 -0.05 0.00 0.00 56.93 55.43 3hk6 s PHE 181 Cb 0.01 -0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 3hk6 s PHE 181 CO -0.05 -0.93 -0.06 0.00 -0.05 0.00 0.00 175.22 174.13 3hk6 s ALA 183 N -0.35 0.37 0.00 0.00 0.00 -1.17 0.31 121.76 120.92 3hk6 s ALA 183 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.16 3hk6 s ALA 183 Cb -0.03 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3hk6 s ALA 183 CO -0.00 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3hk6 n GLY 184 N 1.19 1.86 3.93 0.00 0.00 -0.96 -3.03 105.19 108.17 3hk6 n GLY 184 Ca -0.21 -1.31 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.95 3.19 0.89 1.61 0.40 -1.26 -4.30 117.98 116.57 3hk6 s PHE 184 Ca 0.00 0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 56.73 3hk6 s PHE 184 Cb 0.00 -2.70 0.13 0.00 0.51 0.00 0.00 43.02 40.96 3hk6 s PHE 184 CO 0.00 -0.79 1.15 1.63 0.70 0.00 0.00 175.22 177.92 3hk6 n LYS 185 N -2.50 -0.29 0.00 0.44 4.76 -1.26 -4.81 118.16 114.50 3hk6 n LYS 185 Ca 0.04 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3hk6 n LYS 185 Cb 0.58 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.38 3hk6 n LYS 185 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hk6 n VAL 186 N -3.99 0.00 0.06 -0.18 0.31 -1.26 -3.19 118.33 110.08 3hk6 n VAL 186 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 3hk6 n VAL 186 Cb 0.52 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3hk6 n VAL 186 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hk6 n ASN 186 N -1.00 0.80 0.00 4.52 0.23 -1.26 -5.14 115.26 113.41 3hk6 n ASN 186 Ca 0.00 0.17 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 3hk6 n ASN 186 Cb 0.00 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.50 3hk6 n ASN 186 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3hk6 n ASP 186 N -3.36 0.00 -0.78 0.53 8.00 -1.19 -4.60 116.55 115.15 3hk6 n ASP 186 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hk6 n ASP 186 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3hk6 n ASP 186 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3hk6 n THR 186 N 0.13 0.00 -3.77 -3.53 -2.24 -1.26 -4.33 114.28 99.28 3hk6 n THR 186 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 3hk6 n THR 186 Cb 0.00 -0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 3hk6 n THR 186 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hk6 s LYS 186 N 0.04 0.30 -0.35 -0.78 1.02 -1.26 -5.06 119.74 113.65 3hk6 s LYS 186 Ca 0.00 0.41 0.12 0.00 0.02 0.00 0.00 55.97 56.51 3hk6 s LYS 186 Cb 0.00 0.11 0.45 0.00 -0.52 0.00 0.00 37.83 37.88 3hk6 s LYS 186 CO 0.00 -0.06 1.09 0.54 -0.92 0.00 0.00 175.35 176.00 3hk6 n ARG 187 N 3.13 2.59 -2.21 1.68 1.74 -1.26 -4.71 116.66 117.63 3hk6 n ARG 187 Ca -0.15 -3.94 -0.41 0.00 -0.77 0.00 0.00 57.85 52.59 3hk6 n ARG 187 Cb 0.57 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3hk6 n ARG 187 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hk6 s GLY 188 N -3.49 3.01 0.00 -0.13 0.00 -1.26 -4.71 107.32 100.75 3hk6 s GLY 188 Ca 0.40 1.17 -0.30 0.00 0.00 0.00 0.00 44.72 45.99 3hk6 s GLY 188 CO -0.05 1.81 1.25 -0.35 0.00 0.00 0.00 173.10 175.75 3hk6 s ASP 189 N -0.58 -0.07 0.13 1.64 -1.08 -1.03 -4.41 116.67 111.27 3hk6 s ASP 189 Ca 0.48 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.43 3hk6 s ASP 189 Cb -0.38 0.20 -0.04 0.00 -1.46 0.00 0.00 42.92 41.25 3hk6 s ASP 189 CO 0.50 -0.37 -0.22 0.00 0.52 0.00 0.00 175.17 175.60 3hk6 s ALA 190 N -2.53 2.03 0.30 3.66 0.00 -1.26 0.36 121.76 124.31 3hk6 s ALA 190 Ca 0.14 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.72 3hk6 s ALA 190 Cb 0.04 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3hk6 s ALA 190 CO -0.03 0.37 0.12 0.00 0.00 0.00 0.00 175.76 176.22 3hk6 n GLU 192 N -0.99 0.03 0.00 0.00 4.07 -1.26 0.61 120.64 123.09 3hk6 n GLU 192 Ca -0.06 0.23 0.12 0.00 -0.06 0.00 0.00 57.16 57.39 3hk6 n GLU 192 Cb 0.36 -1.55 0.32 0.00 -0.06 0.00 0.00 31.44 30.51 3hk6 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hk6 n GLY 193 N 0.28 -1.08 0.35 8.31 0.00 -1.26 -2.60 105.19 109.20 3hk6 n GLY 193 Ca 0.04 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3hk6 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hk6 n ASP 194 N -1.25 1.28 -4.75 1.61 8.00 0.20 -2.90 116.55 118.75 3hk6 n ASP 194 Ca 0.08 -1.13 -0.41 0.00 0.71 0.00 0.00 54.79 54.03 3hk6 n ASP 194 Cb 0.34 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3hk6 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3hk6 n SER 195 N -0.32 3.36 0.00 -2.24 7.64 -1.07 -1.80 113.62 119.20 3hk6 n SER 195 Ca 0.14 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.22 3hk6 n SER 195 Cb 0.36 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 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 0.58 1.84 3.96 0.23 0.00 0.84 0.12 105.19 112.76 3hk6 n GLY 196 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3hk6 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hk6 s GLY 197 N -2.00 1.77 -0.18 -0.02 0.00 -0.74 -2.55 107.32 103.60 3hk6 s GLY 197 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 3hk6 s GLY 197 CO 0.00 -0.76 0.04 2.56 0.00 0.00 0.00 173.10 174.94 3hk6 s PRO 198 N -5.53 3.92 -0.50 2.90 0.04 -1.26 -0.65 135.00 133.93 3hk6 s PRO 198 Ca 0.70 -0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.12 3hk6 s PRO 198 Cb -0.05 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.37 3hk6 s PRO 198 CO 0.49 0.27 0.87 0.12 0.04 0.00 0.00 177.00 178.79 3hk6 s PHE 199 N 0.36 2.90 0.03 0.56 2.19 -1.04 -3.30 117.98 119.68 3hk6 s PHE 199 Ca 0.02 0.09 0.02 0.00 0.33 0.00 0.00 56.93 57.38 3hk6 s PHE 199 Cb -0.13 -3.89 -0.04 0.00 -1.31 0.00 0.00 43.02 37.66 3hk6 s PHE 199 CO 0.01 -1.17 0.04 0.08 1.83 0.00 0.00 175.22 176.01 3hk6 s VAL 200 N 3.62 4.34 -0.02 3.12 1.01 -0.68 -2.11 120.40 129.68 3hk6 s VAL 200 Ca 0.31 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3hk6 s VAL 200 Cb -0.12 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3hk6 s VAL 200 CO 0.21 0.27 -0.25 -0.04 0.00 0.00 0.00 175.10 175.29 3hk6 s MET 201 N -1.92 2.04 0.27 2.72 -1.94 0.59 -0.81 119.30 120.25 3hk6 s MET 201 Ca 0.24 -0.90 -0.04 0.00 -1.71 0.00 0.00 55.69 53.28 3hk6 s MET 201 Cb -0.12 -1.97 -0.05 0.00 2.01 0.00 0.00 34.83 34.71 3hk6 s MET 201 CO 0.15 0.54 0.51 0.21 -0.01 0.00 0.00 175.02 176.42 3hk6 s LYS 202 N -0.59 3.60 -0.20 2.03 2.20 -1.26 -1.06 119.74 124.46 3hk6 s LYS 202 Ca 0.10 -0.10 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 3hk6 s LYS 202 Cb -0.10 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.51 3hk6 s LYS 202 CO -0.01 0.26 -0.03 0.45 -0.36 0.00 0.00 175.35 175.66 3hk6 s SER 203 N -3.21 4.53 0.00 1.43 0.15 -1.12 -4.98 113.70 110.50 3hk6 s SER 203 Ca 0.42 -0.30 0.21 0.00 0.70 0.00 0.00 55.95 56.98 3hk6 s SER 203 Cb -0.11 -1.77 1.24 0.00 -1.71 0.00 0.00 66.02 63.67 3hk6 s SER 203 CO 0.30 0.03 1.63 -0.81 1.20 0.00 0.00 173.24 175.59 3hk6 n PRO 204 N 4.45 0.67 0.00 5.44 -0.04 -1.26 -2.89 135.00 141.37 3hk6 n PRO 204 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 3hk6 n PRO 204 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.99 0.00 0.00 0.54 3.72 -1.26 -4.89 117.46 114.58 3hk6 n PHE 204 Ca 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.56 3hk6 n PHE 204 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.00 0.00 -0.54 4.37 2.04 -1.26 -4.84 115.26 115.03 3hk6 n ASN 204 Ca 0.00 0.26 -0.07 0.00 -0.44 0.00 0.00 54.58 54.33 3hk6 n ASN 204 Cb 0.00 -0.26 -0.03 0.00 -2.53 0.00 0.00 39.78 36.96 3hk6 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3hk6 n ASN 205 N -1.25 -4.97 -4.90 0.53 5.03 -1.14 -5.01 115.26 103.55 3hk6 n ASN 205 Ca 0.00 0.17 -0.22 0.00 0.87 0.00 0.00 54.58 55.41 3hk6 n ASN 205 Cb 0.02 -3.09 0.06 0.00 -1.02 0.00 0.00 39.78 35.75 3hk6 n ASN 205 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3hk6 s ARG 206 N -2.29 2.30 -0.23 3.52 0.52 -1.26 -4.73 118.95 116.78 3hk6 s ARG 206 Ca 0.00 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.28 3hk6 s ARG 206 Cb 0.00 -2.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 3hk6 s ARG 206 CO 0.00 -0.93 0.05 -1.58 0.02 0.00 0.00 175.30 172.86 3hk6 s TRP 207 N -2.88 3.09 -0.15 -0.53 0.52 -1.26 -2.81 118.94 114.92 3hk6 s TRP 207 Ca 0.60 -0.37 -0.04 0.00 0.02 0.00 0.00 56.10 56.30 3hk6 s TRP 207 Cb -0.09 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 3hk6 s TRP 207 CO 0.40 -0.27 -0.00 0.71 0.02 0.00 0.00 176.95 177.81 3hk6 s TYR 208 N 1.31 3.12 -0.97 -1.98 2.02 -0.22 -0.96 117.35 119.66 3hk6 s TYR 208 Ca 0.05 -0.09 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 3hk6 s TYR 208 Cb -0.15 -1.95 0.07 0.00 -0.40 0.00 0.00 41.96 39.53 3hk6 s TYR 208 CO 0.03 0.13 1.36 -1.14 -1.57 0.00 0.00 175.55 174.35 3hk6 s GLN 209 N 0.09 3.55 0.19 -0.62 0.74 -0.44 -0.30 119.66 122.88 3hk6 s GLN 209 Ca 0.02 -1.18 -0.03 0.00 0.05 0.00 0.00 55.36 54.21 3hk6 s GLN 209 Cb -0.13 -5.15 0.13 0.00 1.10 0.00 0.00 33.01 28.95 3hk6 s GLN 209 CO 0.02 -2.10 1.52 0.52 -0.55 0.00 0.00 175.29 174.69 3hk6 h MET 210 N 9.61 0.55 -4.91 1.67 2.86 -1.75 -3.41 114.93 119.54 3hk6 h MET 210 Ca 0.14 -0.34 -0.48 0.00 -2.06 0.00 0.00 59.70 56.97 3hk6 h MET 210 Cb 1.02 0.04 -0.13 0.00 0.06 0.00 0.00 31.60 32.58 3hk6 h MET 210 CO 1.34 0.94 -0.49 0.20 1.06 0.00 0.00 176.91 179.97 3hk6 s GLY 211 N -4.13 2.37 -0.04 8.32 0.00 -0.94 -2.03 107.32 110.87 3hk6 s GLY 211 Ca -0.07 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.59 3hk6 s GLY 211 CO 0.84 -1.48 -0.02 -0.42 0.00 0.00 0.00 173.10 172.01 3hk6 s ILE 212 N -3.43 0.38 -0.14 0.90 1.01 -0.52 -2.49 121.20 116.91 3hk6 s ILE 212 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 3hk6 s ILE 212 Cb 0.02 -0.45 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 3hk6 s ILE 212 CO 0.28 0.20 2.10 -0.69 0.00 0.00 0.00 174.94 176.83 3hk6 s VAL 213 N 1.16 3.06 -0.15 2.92 1.01 0.18 0.79 120.40 129.36 3hk6 s VAL 213 Ca -0.08 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 3hk6 s VAL 213 Cb -0.14 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3hk6 s VAL 213 CO -0.02 -0.03 -0.28 -0.24 0.00 0.00 0.00 175.10 174.53 3hk6 n SER 214 N 10.20 1.70 -3.65 3.32 2.88 0.26 -0.11 113.62 128.22 3hk6 n SER 214 Ca 0.26 0.35 -0.29 0.00 -1.33 0.00 0.00 58.87 57.86 3hk6 n SER 214 Cb 0.44 -0.73 -0.16 0.00 -0.75 0.00 0.00 64.21 63.01 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 -2.89 0.94 0.63 -1.46 0.00 -0.58 -4.81 121.76 113.59 3hk6 s ALA 215 Ca -0.23 -1.06 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 3hk6 s ALA 215 Cb 0.03 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3hk6 s ALA 215 CO 0.35 -1.48 1.04 0.20 0.00 0.00 0.00 175.76 175.87 3hk6 s GLY 216 N 1.92 1.81 0.00 0.00 0.00 -1.25 0.23 107.32 110.02 3hk6 s GLY 216 Ca 0.06 0.12 0.24 0.00 0.00 0.00 0.00 44.72 45.14 3hk6 s GLY 216 CO -0.23 0.41 1.27 0.00 0.00 0.00 0.00 173.10 174.55 3hk6 n ALA 217 N -2.63 2.74 -1.33 3.20 0.00 -1.13 -4.83 120.51 116.54 3hk6 n ALA 217 Ca 0.07 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.57 3hk6 n ALA 217 Cb 0.54 -0.85 0.14 0.00 0.00 0.00 0.00 19.45 19.28 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 -2.12 1.60 0.00 0.00 0.00 -0.90 -2.47 107.32 103.43 3hk6 s GLY 219 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.74 3hk6 s GLY 219 CO 0.37 0.27 0.00 0.00 0.00 0.00 0.00 173.10 173.74 3hk6 h ASP 221 N 0.00 0.96 0.38 0.00 3.32 -1.88 -3.08 116.42 116.12 3hk6 h ASP 221 Ca 0.00 -0.55 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 3hk6 h ASP 221 Cb 0.00 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 3hk6 h ASP 221 CO 0.00 1.35 -0.06 -0.09 -1.72 0.00 0.00 179.24 178.73 3hk6 h ARG 221 N 0.62 0.00 -0.87 3.56 1.12 -1.82 -3.46 114.38 113.53 3hk6 h ARG 221 Ca -0.01 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.76 3hk6 h ARG 221 Cb 1.24 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.16 3hk6 h ARG 221 CO 0.14 0.06 -0.09 1.63 -3.11 0.00 0.00 179.97 178.59 3hk6 n LYS 222 N -3.39 -1.55 -1.47 0.20 4.76 -1.04 -4.90 118.16 110.76 3hk6 n LYS 222 Ca -0.02 0.39 -0.30 0.00 -2.87 0.00 0.00 58.31 55.51 3hk6 n LYS 222 Cb 0.20 -4.19 0.23 0.00 -1.84 0.00 0.00 35.03 29.43 3hk6 n LYS 222 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3hk6 s GLY 223 N -1.35 1.70 -0.08 0.72 0.00 -1.03 -5.01 107.32 102.27 3hk6 s GLY 223 Ca 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 44.72 43.50 3hk6 s GLY 223 CO 0.00 -0.31 0.07 0.50 0.00 0.00 0.00 173.10 173.36 3hk6 h LYS 224 N -2.30 -0.05 -5.49 2.90 6.56 -1.89 -3.45 116.57 112.85 3hk6 h LYS 224 Ca -0.43 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 58.68 3hk6 h LYS 224 Cb 1.25 0.01 -0.25 0.00 -0.57 0.00 0.00 32.23 32.67 3hk6 h LYS 224 CO 0.30 -0.03 -0.81 0.71 -2.06 0.00 0.00 179.45 177.56 3hk6 s TYR 225 N -1.66 1.36 0.72 -1.35 2.02 -1.26 -4.87 117.35 112.32 3hk6 s TYR 225 Ca -0.01 -0.34 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 3hk6 s TYR 225 Cb 0.00 -0.82 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 3hk6 s TYR 225 CO 0.02 0.04 1.07 0.20 -1.57 0.00 0.00 175.55 175.32 3hk6 s GLY 226 N -1.05 1.69 -0.08 0.71 0.00 -1.17 -4.70 107.32 102.72 3hk6 s GLY 226 Ca 0.03 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.92 3hk6 s GLY 226 CO 0.01 0.48 -0.09 -1.36 0.00 0.00 0.00 173.10 172.14 3hk6 s PHE 227 N -2.98 2.88 -0.04 1.90 2.99 0.63 -3.03 117.98 120.33 3hk6 s PHE 227 Ca 0.59 -0.12 0.06 0.00 0.00 0.00 0.00 56.93 57.46 3hk6 s PHE 227 Cb -0.15 -1.73 -0.01 0.00 0.00 0.00 0.00 43.02 41.13 3hk6 s PHE 227 CO 0.55 0.20 -0.22 0.71 -0.00 0.00 0.00 175.22 176.47 3hk6 s TYR 228 N -0.54 2.08 -0.02 0.36 1.51 0.12 -0.58 117.35 120.28 3hk6 s TYR 228 Ca 0.08 -0.57 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 3hk6 s TYR 228 Cb -0.12 -1.37 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 3hk6 s TYR 228 CO 0.02 -0.17 1.23 0.99 -1.11 0.00 0.00 175.55 176.51 3hk6 s THR 229 N -0.15 4.13 -0.38 -0.71 2.01 0.24 -1.60 115.64 119.18 3hk6 s THR 229 Ca -0.02 1.48 -0.29 0.00 0.31 0.00 0.00 61.69 63.18 3hk6 s THR 229 Cb -0.12 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3hk6 s THR 229 CO 0.02 0.02 1.24 -2.28 -0.69 0.00 0.00 174.62 172.94 3hk6 s HIS 230 N 1.99 2.74 -0.10 4.92 2.46 0.14 -1.43 115.29 126.01 3hk6 s HIS 230 Ca 0.58 0.84 -0.24 0.00 0.47 0.00 0.00 55.06 56.71 3hk6 s HIS 230 Cb -0.27 -4.12 -0.28 0.00 -0.13 0.00 0.00 32.58 27.79 3hk6 s HIS 230 CO 0.24 -1.48 0.76 0.28 -2.47 0.00 0.00 174.74 172.07 3hk6 h VAL 231 N 6.11 1.51 -0.44 0.89 2.07 -1.72 -3.15 116.25 121.54 3hk6 h VAL 231 Ca -0.24 -2.43 0.09 0.00 0.82 0.00 0.00 66.70 64.94 3hk6 h VAL 231 Cb 1.08 3.14 -0.09 0.00 -1.52 0.00 0.00 31.29 33.90 3hk6 h VAL 231 CO 1.07 0.65 -0.24 0.15 0.02 0.00 0.00 177.57 179.22 3hk6 h PHE 232 N -0.64 -0.63 -1.04 1.57 3.57 -1.88 0.31 116.94 118.19 3hk6 h PHE 232 Ca -0.13 0.05 0.42 0.00 3.53 0.00 0.00 57.97 61.84 3hk6 h PHE 232 Cb 1.40 0.35 -0.17 0.00 2.79 0.00 0.00 35.95 40.31 3hk6 h PHE 232 CO 0.21 -0.32 0.58 0.00 -2.23 0.00 0.00 178.31 176.55 3hk6 h ARG 233 N -0.16 0.03 -0.75 1.11 2.47 -1.94 1.02 114.38 116.16 3hk6 h ARG 233 Ca 0.20 -0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.65 3hk6 h ARG 233 Cb 0.48 -0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 28.63 3hk6 h ARG 233 CO -0.53 0.02 0.32 1.28 0.56 0.00 0.00 179.97 181.62 3hk6 n LEU 234 N -5.18 6.04 -0.10 3.04 4.32 0.10 -4.46 117.00 120.76 3hk6 n LEU 234 Ca 0.38 -3.33 -0.12 0.00 -0.02 0.00 0.00 56.01 52.92 3hk6 n LEU 234 Cb 1.30 -0.75 -0.04 0.00 -1.62 0.00 0.00 43.42 42.31 3hk6 n LEU 234 CO 0.04 0.88 0.71 0.50 -1.22 0.00 0.00 177.39 178.30 3hk6 h LYS 235 N 2.19 0.57 -0.63 3.23 3.64 0.16 -2.66 116.57 123.06 3hk6 h LYS 235 Ca 0.33 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3hk6 h LYS 235 Cb 2.38 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 34.11 3hk6 h LYS 235 CO 0.78 0.77 0.31 0.00 -2.27 0.00 0.00 179.45 179.03 3hk6 h ARG 236 N 0.33 0.54 -0.66 1.90 3.08 -1.79 0.38 114.38 118.16 3hk6 h ARG 236 Ca 0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hk6 h ARG 236 Cb 0.56 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3hk6 h ARG 236 CO 0.03 0.36 0.29 2.35 -1.07 0.00 0.00 179.97 181.93 3hk6 h TRP 237 N 0.56 0.95 0.51 3.04 7.01 -1.87 0.37 115.95 126.52 3hk6 h TRP 237 Ca 0.30 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 3hk6 h TRP 237 Cb 0.27 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.04 3hk6 h TRP 237 CO -0.11 0.71 -0.30 0.82 -2.79 0.00 0.00 178.44 176.77 3hk6 h ILE 238 N 0.94 0.00 -0.71 2.65 2.04 -0.32 -2.02 117.51 120.10 3hk6 h ILE 238 Ca 0.23 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.18 3hk6 h ILE 238 Cb 0.14 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.12 3hk6 h ILE 238 CO -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 178.15 177.79 3hk6 n GLN 239 N -4.22 -0.23 -0.01 2.37 6.02 0.10 -1.35 117.38 120.05 3hk6 n GLN 239 Ca -0.09 1.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.94 3hk6 n GLN 239 Cb 0.31 -1.59 0.19 0.00 1.02 0.00 0.00 30.24 30.16 3hk6 n GLN 239 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 3hk6 h LYS 240 N 0.00 0.56 0.26 -1.09 3.64 -0.80 -1.04 116.57 118.10 3hk6 h LYS 240 Ca 0.19 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hk6 h LYS 240 Cb 0.36 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3hk6 h LYS 240 CO -0.69 0.73 -0.12 0.28 -2.27 0.00 0.00 179.45 177.38 3hk6 h VAL 241 N 0.50 0.79 0.11 2.00 2.07 -0.45 0.36 116.25 121.63 3hk6 h VAL 241 Ca 0.08 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hk6 h VAL 241 Cb 0.63 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3hk6 h VAL 241 CO 0.04 0.08 -0.21 0.40 0.02 0.00 0.00 177.57 177.90 3hk6 h ILE 242 N -0.53 0.53 -0.17 4.57 5.03 -1.11 0.25 117.51 126.08 3hk6 h ILE 242 Ca -0.04 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.72 3hk6 h ILE 242 Cb 0.39 0.53 -0.03 0.00 -3.03 0.00 0.00 36.82 34.68 3hk6 h ILE 242 CO 0.06 0.00 -0.21 0.44 -0.68 0.00 0.00 178.15 177.75 3hk6 h ASP 243 N -0.39 -0.72 -0.66 1.72 3.32 -1.22 4.89 116.42 123.36 3hk6 h ASP 243 Ca 0.03 0.10 0.14 0.00 0.02 0.00 0.00 57.03 57.31 3hk6 h ASP 243 Cb 0.41 0.30 -0.10 0.00 0.22 0.00 0.00 39.33 40.16 3hk6 h ASP 243 CO -0.12 -0.15 0.09 -0.61 -1.72 0.00 0.00 179.24 176.73 3hk6 h GLN 244 N -0.14 0.19 0.00 3.56 5.75 0.69 -3.25 115.11 121.91 3hk6 h GLN 244 Ca 0.03 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3hk6 h GLN 244 Cb 0.22 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3hk6 h GLN 244 CO -0.24 0.13 -0.11 1.19 -2.65 0.00 0.00 178.83 177.16 3hk6 n PHE 245 N -5.21 0.00 0.00 3.99 3.72 0.78 -5.09 117.46 115.65 3hk6 n PHE 245 Ca 0.11 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3hk6 n PHE 245 Cb 0.39 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3hk6 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12