#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxy n THR 39 N 0.00 0.00 0.36 0.52 -2.24 -1.26 -4.39 114.28 107.27 2hxy n THR 39 Ca 0.00 -2.18 0.12 0.00 -2.27 0.00 0.00 64.05 59.72 2hxy n THR 39 Cb 0.00 0.81 0.24 0.00 -2.10 0.00 0.00 70.33 69.28 2hxy n THR 39 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2hxy h PHE 40 N 1.65 0.00 -0.38 4.78 0.04 -1.96 -3.33 116.94 117.74 2hxy h PHE 40 Ca -0.28 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.50 2hxy h PHE 40 Cb 1.11 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.23 2hxy h PHE 40 CO 0.00 0.00 0.22 -0.44 -0.60 0.00 0.00 178.31 177.49 2hxy h ASP 41 N 0.00 0.35 0.00 2.17 3.32 -1.97 -2.59 116.42 117.71 2hxy h ASP 41 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2hxy h ASP 41 Cb 0.90 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2hxy h ASP 41 CO 0.00 0.25 0.00 0.35 -1.72 0.00 0.00 179.24 178.12 2hxy n THR 42 N -4.88 0.00 1.18 0.35 -2.24 -1.25 -3.38 114.28 104.05 2hxy n THR 42 Ca 0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2hxy n THR 42 Cb 0.06 -0.20 0.24 0.00 -2.10 0.00 0.00 70.33 68.33 2hxy n THR 42 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 2hxy n MET 43 N -0.63 1.84 -3.66 -0.78 2.81 -0.97 -4.96 117.12 110.76 2hxy n MET 43 Ca 0.06 -1.38 -0.22 0.00 -1.81 0.00 0.00 57.70 54.35 2hxy n MET 43 Cb 0.03 -1.47 0.05 0.00 -0.71 0.00 0.00 33.22 31.11 2hxy n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hxy n GLY 44 N 1.30 -0.34 3.87 3.03 0.00 -1.22 -4.97 105.19 106.87 2hxy n GLY 44 Ca 0.15 0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 2hxy n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hxy s LEU 45 N -6.71 4.22 0.68 0.99 1.43 -1.26 -5.05 118.68 112.98 2hxy s LEU 45 Ca 0.11 0.88 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 2hxy s LEU 45 Cb -0.05 -3.53 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2hxy s LEU 45 CO 0.79 -0.02 1.07 -2.11 0.23 0.00 0.00 176.35 176.32 2hxy n ARG 46 N 0.08 0.73 0.25 1.70 1.85 -1.26 -4.79 116.66 115.22 2hxy n ARG 46 Ca -0.01 0.31 -0.12 0.00 -1.00 0.00 0.00 57.85 57.02 2hxy n ARG 46 Cb 0.52 -2.31 -0.06 0.00 -1.05 0.00 0.00 32.46 29.56 2hxy n ARG 46 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 2hxy h GLU 47 N 0.07 -0.70 0.00 2.89 5.08 -1.99 -2.37 114.58 117.56 2hxy h GLU 47 Ca -0.49 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2hxy h GLU 47 Cb 1.34 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.75 2hxy h GLU 47 CO 0.49 -0.47 0.57 0.38 -1.00 0.00 0.00 179.01 178.99 2hxy h ASP 48 N -0.73 0.00 0.00 1.42 2.03 -1.93 0.81 116.42 118.03 2hxy h ASP 48 Ca -0.06 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.00 2hxy h ASP 48 Cb 0.59 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.05 2hxy h ASP 48 CO 0.05 0.00 -1.28 -0.11 -1.03 0.00 0.00 179.24 176.86 2hxy n LEU 49 N -2.52 1.86 0.01 0.15 7.94 -1.11 -3.24 117.00 120.09 2hxy n LEU 49 Ca -0.01 0.42 0.20 0.00 -1.11 0.00 0.00 56.01 55.52 2hxy n LEU 49 Cb 0.60 -0.96 0.70 0.00 0.53 0.00 0.00 43.42 44.29 2hxy n LEU 49 CO 0.07 0.27 1.18 0.25 -1.11 0.00 0.00 177.39 178.05 2hxy h LEU 50 N -1.00 0.00 0.18 -1.96 5.85 -0.39 0.45 115.31 118.44 2hxy h LEU 50 Ca -0.35 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 2hxy h LEU 50 Cb 1.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.33 2hxy h LEU 50 CO -0.21 0.00 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.71 2hxy h ARG 51 N 0.00 -0.24 -0.82 1.25 2.43 -1.23 -2.06 114.38 113.71 2hxy h ARG 51 Ca 0.24 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.54 2hxy h ARG 51 Cb 1.01 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.53 2hxy h ARG 51 CO -0.00 0.14 0.44 0.78 -1.51 0.00 0.00 179.97 179.82 2hxy h GLY 52 N -0.68 1.29 0.60 2.80 0.00 -0.62 0.29 103.07 106.76 2hxy h GLY 52 Ca -0.03 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2hxy h GLY 52 CO 0.04 0.06 -0.25 -2.22 0.00 0.00 0.00 176.54 174.17 2hxy h ILE 53 N 0.70 0.45 -0.35 2.60 2.04 -0.16 0.62 117.51 123.42 2hxy h ILE 53 Ca 0.42 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 66.19 2hxy h ILE 53 Cb 0.47 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2hxy h ILE 53 CO -0.29 0.00 -0.16 1.88 0.00 0.00 0.00 178.15 179.58 2hxy h TYR 54 N -0.47 0.69 -0.21 1.37 0.05 -0.73 -2.44 116.97 115.23 2hxy h TYR 54 Ca 0.02 -0.13 -0.12 0.00 0.05 0.00 0.00 58.73 58.56 2hxy h TYR 54 Cb 0.48 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2hxy h TYR 54 CO -0.22 0.75 -0.36 0.00 -1.05 0.00 0.00 178.16 177.28 2hxy h ALA 55 N 1.26 0.98 0.00 3.88 0.00 0.06 -0.36 119.26 125.09 2hxy h ALA 55 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2hxy h ALA 55 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2hxy h ALA 55 CO 0.04 0.61 0.00 -0.92 0.00 0.00 0.00 179.25 178.98 2hxy h TYR 56 N 0.39 0.00 0.00 0.00 3.20 0.62 -3.46 116.97 117.72 2hxy h TYR 56 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2hxy h TYR 56 Cb 0.82 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2hxy h TYR 56 CO 0.03 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.96 2hxy n GLY 57 N -0.41 1.10 3.55 1.82 0.00 -0.14 -5.02 105.19 106.09 2hxy n GLY 57 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2hxy n GLY 57 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hxy s PHE 58 N -2.26 1.78 -0.16 1.61 5.36 -0.96 -4.83 117.98 118.52 2hxy s PHE 58 Ca 0.00 0.62 0.21 0.00 -0.96 0.00 0.00 56.93 56.80 2hxy s PHE 58 Cb 0.00 -4.16 -0.13 0.00 -0.34 0.00 0.00 43.02 38.39 2hxy s PHE 58 CO 0.00 -2.17 0.80 0.39 -1.46 0.00 0.00 175.22 172.78 2hxy n GLU 59 N 9.14 0.63 -3.68 10.12 1.02 -1.26 -4.13 120.64 132.48 2hxy n GLU 59 Ca 0.22 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.31 2hxy n GLU 59 Cb 0.51 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 30.08 2hxy n GLU 59 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2hxy s LYS 60 N -3.27 0.28 0.47 3.49 2.20 -1.26 -4.77 119.74 116.88 2hxy s LYS 60 Ca -0.03 0.82 -0.19 0.00 -0.36 0.00 0.00 55.97 56.20 2hxy s LYS 60 Cb 0.10 0.07 -0.10 0.00 -1.51 0.00 0.00 37.83 36.40 2hxy s LYS 60 CO 0.83 -0.22 0.97 -1.25 -0.36 0.00 0.00 175.35 175.32 2hxy s PRO 61 N 2.01 4.08 1.25 4.03 0.04 -1.26 -5.06 135.00 140.09 2hxy s PRO 61 Ca -0.04 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.92 2hxy s PRO 61 Cb -0.11 -2.15 0.31 0.00 0.04 0.00 0.00 34.50 32.58 2hxy s PRO 61 CO -0.11 -0.16 1.01 0.45 0.04 0.00 0.00 177.00 178.23 2hxy s SER 62 N -2.44 0.40 -0.05 6.66 0.15 -1.26 -4.81 113.70 112.35 2hxy s SER 62 Ca 0.62 1.10 -0.26 0.00 0.70 0.00 0.00 55.95 58.11 2hxy s SER 62 Cb -0.10 -1.65 -0.22 0.00 -1.71 0.00 0.00 66.02 62.34 2hxy s SER 62 CO 0.20 -4.50 1.12 0.00 1.20 0.00 0.00 173.24 171.26 2hxy h ALA 63 N -2.83 0.02 -0.20 5.45 0.00 -1.97 -2.65 119.26 117.09 2hxy h ALA 63 Ca -0.53 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 53.95 2hxy h ALA 63 Cb 1.33 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2hxy h ALA 63 CO 0.42 -0.12 -0.25 -0.84 0.00 0.00 0.00 179.25 178.45 2hxy h ILE 64 N -0.57 1.33 -0.86 0.00 -0.00 -2.01 -3.05 117.51 112.35 2hxy h ILE 64 Ca -0.00 -1.44 0.14 0.00 -0.00 0.00 0.00 64.86 63.55 2hxy h ILE 64 Cb 0.69 1.80 -0.07 0.00 -0.00 0.00 0.00 36.82 39.25 2hxy h ILE 64 CO 0.01 0.44 0.56 1.56 -0.00 0.00 0.00 178.15 180.72 2hxy h GLN 65 N 0.19 0.63 -0.53 0.16 4.20 -1.93 0.28 115.11 118.11 2hxy h GLN 65 Ca 0.03 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2hxy h GLN 65 Cb 0.82 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2hxy h GLN 65 CO 0.06 0.42 0.33 0.37 -0.67 0.00 0.00 178.83 179.34 2hxy h GLN 66 N 0.65 0.64 0.07 1.46 4.15 -1.36 -0.13 115.11 120.60 2hxy h GLN 66 Ca 0.43 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.82 2hxy h GLN 66 Cb 0.72 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 2hxy h GLN 66 CO -0.19 0.42 -0.14 -0.09 -1.93 0.00 0.00 178.83 176.91 2hxy h ARG 67 N 0.66 -0.26 -0.23 1.69 2.43 -0.49 0.37 114.38 118.54 2hxy h ARG 67 Ca 0.21 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2hxy h ARG 67 Cb -0.01 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 2hxy h ARG 67 CO -0.08 -0.17 -0.41 0.00 -1.51 0.00 0.00 179.97 177.79 2hxy h ALA 68 N 0.61 -0.50 0.41 2.80 0.00 -0.65 0.51 119.26 122.44 2hxy h ALA 68 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2hxy h ALA 68 Cb 0.29 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2hxy h ALA 68 CO -0.09 -0.89 -0.29 0.82 0.00 0.00 0.00 179.25 178.81 2hxy h ILE 69 N -0.42 0.00 -0.95 0.00 2.04 -0.72 0.73 117.51 118.19 2hxy h ILE 69 Ca 0.10 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.14 2hxy h ILE 69 Cb 0.60 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.51 2hxy h ILE 69 CO -0.46 0.00 -0.27 0.50 0.00 0.00 0.00 178.15 177.92 2hxy h LYS 70 N -0.67 -0.01 -0.37 2.37 1.63 0.19 -0.24 116.57 119.48 2hxy h LYS 70 Ca -0.05 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 2hxy h LYS 70 Cb 0.55 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2hxy h LYS 70 CO 0.03 -0.00 -0.23 1.96 -3.45 0.00 0.00 179.45 177.75 2hxy h GLN 71 N -0.01 0.74 -0.24 1.90 1.08 0.25 -2.52 115.11 116.31 2hxy h GLN 71 Ca 0.43 -0.30 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 2hxy h GLN 71 Cb 0.67 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 2hxy h GLN 71 CO -0.97 0.90 -0.32 0.82 -0.95 0.00 0.00 178.83 178.30 2hxy h ILE 72 N 0.64 1.28 -0.50 2.54 2.04 0.86 -2.72 117.51 121.65 2hxy h ILE 72 Ca 0.09 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 2hxy h ILE 72 Cb 0.74 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2hxy h ILE 72 CO 0.06 0.44 0.15 0.40 0.00 0.00 0.00 178.15 179.20 2hxy h ILE 73 N 0.42 1.23 -0.19 -0.67 2.04 -1.14 -1.39 117.51 117.81 2hxy h ILE 73 Ca 0.05 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.18 2hxy h ILE 73 Cb 0.77 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2hxy h ILE 73 CO 0.06 0.29 0.23 0.11 0.00 0.00 0.00 178.15 178.84 2hxy h LYS 74 N 0.68 0.00 0.00 2.37 1.79 -1.15 -3.45 116.57 116.82 2hxy h LYS 74 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2hxy h LYS 74 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2hxy h LYS 74 CO -0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2hxy n GLY 75 N -1.39 1.54 3.63 3.86 0.00 -0.52 -5.08 105.19 107.23 2hxy n GLY 75 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 2hxy n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxy n ARG 76 N -0.97 0.97 -2.54 1.61 5.12 -1.10 -4.85 116.66 114.91 2hxy n ARG 76 Ca 0.00 0.38 -0.41 0.00 -1.93 0.00 0.00 57.85 55.89 2hxy n ARG 76 Cb 0.00 -2.22 -0.04 0.00 -1.16 0.00 0.00 32.46 29.04 2hxy n ARG 76 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2hxy s ASP 77 N -1.23 7.28 0.06 0.55 1.11 -1.26 -4.59 116.67 118.59 2hxy s ASP 77 Ca 0.76 2.05 0.08 0.00 0.18 0.00 0.00 52.55 55.61 2hxy s ASP 77 Cb -0.42 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 40.95 2hxy s ASP 77 CO 0.47 -0.22 -0.21 -0.69 1.18 0.00 0.00 175.17 175.70 2hxy s VAL 78 N -0.13 1.72 -0.45 -1.27 1.01 -1.13 0.46 120.40 120.60 2hxy s VAL 78 Ca 0.50 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2hxy s VAL 78 Cb -0.29 -1.50 0.12 0.00 0.00 0.00 0.00 36.38 34.71 2hxy s VAL 78 CO 0.34 0.16 0.20 -0.63 0.00 0.00 0.00 175.10 175.17 2hxy s ILE 79 N -0.88 2.12 -0.21 2.22 1.01 0.24 -0.23 121.20 125.47 2hxy s ILE 79 Ca 0.08 -2.81 -0.09 0.00 0.00 0.00 0.00 60.65 57.82 2hxy s ILE 79 Cb -0.09 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.84 2hxy s ILE 79 CO 0.02 -0.78 0.11 0.00 0.00 0.00 0.00 174.94 174.30 2hxy s ALA 80 N 0.23 3.52 -0.24 9.38 0.00 -0.78 -0.84 121.76 133.03 2hxy s ALA 80 Ca 0.15 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 2hxy s ALA 80 Cb -0.24 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 2hxy s ALA 80 CO -0.03 -0.02 0.84 -1.14 0.00 0.00 0.00 175.76 175.40 2hxy s GLN 81 N 0.73 4.19 0.50 0.00 0.74 -0.58 -1.83 119.66 123.41 2hxy s GLN 81 Ca 0.06 0.96 -0.22 0.00 0.05 0.00 0.00 55.36 56.22 2hxy s GLN 81 Cb -0.13 -3.64 -0.07 0.00 1.10 0.00 0.00 33.01 30.28 2hxy s GLN 81 CO 0.02 -0.51 1.17 0.45 -0.55 0.00 0.00 175.29 175.86 2hxy s SER 82 N 1.32 5.93 -0.02 6.67 0.15 -0.68 -4.86 113.70 122.22 2hxy s SER 82 Ca 0.35 2.30 -0.00 0.00 0.70 0.00 0.00 55.95 59.30 2hxy s SER 82 Cb -0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.58 2hxy s SER 82 CO 0.07 -1.08 0.04 -1.58 1.20 0.00 0.00 173.24 171.89 2hxy s GLN 83 N -2.92 -0.02 -0.36 5.44 0.74 -1.26 -4.40 119.66 116.89 2hxy s GLN 83 Ca 0.68 0.17 -0.38 0.00 0.05 0.00 0.00 55.36 55.88 2hxy s GLN 83 Cb -0.28 -0.19 -0.14 0.00 1.10 0.00 0.00 33.01 33.51 2hxy s GLN 83 CO 0.33 -0.13 2.09 0.43 -0.55 0.00 0.00 175.29 177.45 2hxy n SER 84 N 3.96 1.95 0.00 6.67 7.64 -1.26 -4.71 113.62 127.87 2hxy n SER 84 Ca -0.25 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2hxy n SER 84 Cb 0.52 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2hxy n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hxy n GLY 85 N 6.23 1.93 3.73 0.23 0.00 -1.26 -5.15 105.19 110.90 2hxy n GLY 85 Ca 0.41 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2hxy n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hxy s THR 86 N -0.91 5.15 -0.72 2.61 2.01 -1.26 -4.63 115.64 117.89 2hxy s THR 86 Ca 0.00 1.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.88 2hxy s THR 86 Cb 0.00 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.69 2hxy s THR 86 CO 0.00 0.34 0.45 0.61 -0.69 0.00 0.00 174.62 175.33 2hxy n GLY 87 N 3.13 -0.76 0.00 4.40 0.00 -1.26 -4.75 105.19 105.95 2hxy n GLY 87 Ca -0.07 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.40 2hxy n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hxy n LYS 88 N -2.95 0.44 -0.04 1.61 3.00 -1.26 -2.56 118.16 116.40 2hxy n LYS 88 Ca -0.16 0.05 -0.01 0.00 -0.00 0.00 0.00 58.31 58.20 2hxy n LYS 88 Cb 0.45 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 33.97 2hxy n LYS 88 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2hxy h THR 89 N 0.00 0.00 -0.73 3.15 2.02 -1.98 -3.39 112.91 111.99 2hxy h THR 89 Ca 0.00 -0.64 0.14 0.00 0.77 0.00 0.00 66.41 66.69 2hxy h THR 89 Cb 0.16 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.43 2hxy h THR 89 CO 0.00 0.00 -0.20 0.00 0.37 0.00 0.00 175.52 175.69 2hxy h ALA 90 N -1.36 0.43 -0.99 6.16 0.00 -1.88 -1.41 119.26 120.21 2hxy h ALA 90 Ca 0.00 0.28 0.18 0.00 0.00 0.00 0.00 54.91 55.36 2hxy h ALA 90 Cb 0.09 0.59 -0.17 0.00 0.00 0.00 0.00 17.79 18.30 2hxy h ALA 90 CO 0.00 -0.44 -0.32 1.15 0.00 0.00 0.00 179.25 179.65 2hxy h THR 91 N -0.02 0.01 0.01 0.00 2.02 -1.69 0.77 112.91 114.01 2hxy h THR 91 Ca 0.34 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 67.29 2hxy h THR 91 Cb 0.54 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2hxy h THR 91 CO -0.76 0.00 -1.23 2.19 0.37 0.00 0.00 175.52 176.10 2hxy h PHE 92 N -0.00 0.02 -0.44 3.16 -5.15 -1.58 -3.11 116.94 109.83 2hxy h PHE 92 Ca 0.41 -0.01 0.02 0.00 -0.20 0.00 0.00 57.97 58.19 2hxy h PHE 92 Cb 0.66 -0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.80 2hxy h PHE 92 CO -0.82 1.02 0.26 0.77 -2.00 0.00 0.00 178.31 177.54 2hxy h SER 93 N 0.00 0.42 -0.99 -0.68 0.02 0.35 0.35 113.55 113.02 2hxy h SER 93 Ca -0.10 0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2hxy h SER 93 Cb 1.85 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 64.23 2hxy h SER 93 CO 0.12 0.30 0.63 0.40 -1.14 0.00 0.00 176.83 177.13 2hxy h ILE 94 N 0.52 0.99 0.67 3.27 2.04 0.31 0.15 117.51 125.47 2hxy h ILE 94 Ca 0.18 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 2hxy h ILE 94 Cb 0.02 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 35.94 2hxy h ILE 94 CO -0.08 0.19 -0.32 0.28 0.00 0.00 0.00 178.15 178.22 2hxy h SER 95 N 1.06 -0.76 -0.54 1.72 0.02 -1.01 -2.34 113.55 111.70 2hxy h SER 95 Ca 0.46 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.50 2hxy h SER 95 Cb 0.34 0.20 -0.09 0.00 0.14 0.00 0.00 62.40 62.98 2hxy h SER 95 CO -0.22 -0.51 -0.55 0.58 -1.14 0.00 0.00 176.83 174.98 2hxy h VAL 96 N -0.97 0.00 -0.44 2.27 2.07 0.08 -2.23 116.25 117.03 2hxy h VAL 96 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2hxy h VAL 96 Cb 0.69 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.37 2hxy h VAL 96 CO 0.15 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.22 2hxy h LEU 97 N -0.30 -1.50 -0.69 2.57 3.38 -0.77 -2.30 115.31 115.71 2hxy h LEU 97 Ca 0.09 0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.42 2hxy h LEU 97 Cb 0.54 0.65 -0.13 0.00 0.09 0.00 0.00 40.66 41.81 2hxy h LEU 97 CO -0.66 -0.37 -0.23 -0.61 0.09 0.00 0.00 178.44 176.66 2hxy h GLN 98 N -0.32 -0.04 -3.50 1.13 5.75 -0.83 -2.99 115.11 114.31 2hxy h GLN 98 Ca 0.14 0.00 -0.71 0.00 -0.15 0.00 0.00 58.65 57.93 2hxy h GLN 98 Cb 0.58 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.08 2hxy h GLN 98 CO -0.60 -0.03 2.99 0.00 -2.65 0.00 0.00 178.83 178.54 2hxy s LEU 100 N 0.72 2.40 -0.59 0.00 1.43 -1.13 -4.96 118.68 116.55 2hxy s LEU 100 Ca 0.52 -1.04 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2hxy s LEU 100 Cb 0.15 0.02 0.15 0.00 0.03 0.00 0.00 46.19 46.54 2hxy s LEU 100 CO -0.06 -0.53 0.38 -0.62 0.23 0.00 0.00 176.35 175.75 2hxy s ASP 101 N -3.03 4.17 0.12 2.29 -1.08 -1.26 -5.00 116.67 112.88 2hxy s ASP 101 Ca 0.13 -3.39 -0.23 0.00 -0.52 0.00 0.00 52.55 48.54 2hxy s ASP 101 Cb 0.06 -1.42 -0.05 0.00 -1.46 0.00 0.00 42.92 40.04 2hxy s ASP 101 CO -0.04 -0.16 1.41 0.40 0.52 0.00 0.00 175.17 177.30 2hxy h ILE 102 N 4.81 0.00 0.00 4.11 1.08 -1.97 -0.08 117.51 125.46 2hxy h ILE 102 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 2hxy h ILE 102 Cb 0.83 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2hxy h ILE 102 CO 0.64 0.00 0.40 0.00 -0.69 0.00 0.00 178.15 178.50 2hxy n GLN 103 N -4.70 0.03 -3.73 2.37 1.13 -1.26 -3.38 117.38 107.84 2hxy n GLN 103 Ca 0.01 0.35 -0.35 0.00 -1.94 0.00 0.00 57.00 55.07 2hxy n GLN 103 Cb 0.20 -1.99 -0.09 0.00 0.11 0.00 0.00 30.24 28.47 2hxy n GLN 103 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hxy s VAL 104 N -2.76 3.74 -0.87 5.09 1.01 -0.04 -5.03 120.40 121.54 2hxy s VAL 104 Ca -0.00 -3.52 -0.25 0.00 0.00 0.00 0.00 61.98 58.20 2hxy s VAL 104 Cb 0.01 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2hxy s VAL 104 CO 0.03 -0.97 1.95 -0.13 0.00 0.00 0.00 175.10 175.99 2hxy s ARG 105 N -0.77 2.53 -0.23 2.72 0.52 -1.22 -4.83 118.95 117.67 2hxy s ARG 105 Ca 0.22 -0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 54.99 2hxy s ARG 105 Cb -0.14 -4.98 0.12 0.00 0.52 0.00 0.00 34.95 30.47 2hxy s ARG 105 CO -0.08 -3.34 1.00 -2.00 0.02 0.00 0.00 175.30 170.90 2hxy s GLU 106 N 7.07 0.56 -0.38 3.54 2.12 -1.26 -4.71 118.70 125.63 2hxy s GLU 106 Ca 0.71 0.43 -0.38 0.00 0.36 0.00 0.00 54.97 56.08 2hxy s GLU 106 Cb -0.08 0.27 -0.14 0.00 0.26 0.00 0.00 34.13 34.44 2hxy s GLU 106 CO 0.02 -0.11 2.11 2.41 -0.54 0.00 0.00 175.26 179.14 2hxy n THR 107 N 1.66 0.15 -0.02 -1.70 -1.04 -0.88 -4.48 114.28 107.96 2hxy n THR 107 Ca -0.12 -0.16 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 2hxy n THR 107 Cb 0.57 -1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 67.73 2hxy n THR 107 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hxy n GLN 108 N 7.58 0.77 -3.91 -2.82 6.02 -0.58 -2.91 117.38 121.53 2hxy n GLN 108 Ca 0.43 -0.09 -0.15 0.00 -0.01 0.00 0.00 57.00 57.18 2hxy n GLN 108 Cb 0.14 -1.29 -0.15 0.00 1.02 0.00 0.00 30.24 29.96 2hxy n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hxy s ALA 109 N -2.72 0.19 -0.12 -1.58 0.00 -1.17 0.20 121.76 116.58 2hxy s ALA 109 Ca -0.05 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2hxy s ALA 109 Cb 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2hxy s ALA 109 CO 0.49 -0.03 -0.20 -1.17 0.00 0.00 0.00 175.76 174.85 2hxy s LEU 110 N 0.59 1.98 -0.14 0.00 2.96 0.10 -1.91 118.68 122.26 2hxy s LEU 110 Ca -0.05 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2hxy s LEU 110 Cb -0.08 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 2hxy s LEU 110 CO -0.01 0.08 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.32 2hxy s ILE 111 N 0.71 2.72 -0.08 6.68 1.01 0.12 -0.62 121.20 131.74 2hxy s ILE 111 Ca -0.11 -0.76 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 2hxy s ILE 111 Cb -0.16 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 2hxy s ILE 111 CO 0.02 0.52 -0.05 -0.76 0.00 0.00 0.00 174.94 174.67 2hxy s LEU 112 N 0.61 3.29 0.11 2.97 1.43 0.05 -2.04 118.68 125.10 2hxy s LEU 112 Ca -0.09 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2hxy s LEU 112 Cb -0.16 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 2hxy s LEU 112 CO 0.03 0.34 -0.09 0.00 0.23 0.00 0.00 176.35 176.86 2hxy s ALA 113 N -0.69 1.14 -0.55 4.21 0.00 -0.99 -1.76 121.76 123.11 2hxy s ALA 113 Ca 0.11 -1.29 0.23 0.00 0.00 0.00 0.00 51.96 51.00 2hxy s ALA 113 Cb -0.11 0.07 0.94 0.00 0.00 0.00 0.00 23.12 24.01 2hxy s ALA 113 CO 0.02 -0.11 1.69 -0.35 0.00 0.00 0.00 175.76 177.01 2hxy n PRO 114 N 0.24 0.17 -3.83 0.00 -0.04 -1.26 -3.95 135.00 126.33 2hxy n PRO 114 Ca -0.14 0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.60 2hxy n PRO 114 Cb 0.59 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 32.12 2hxy n PRO 114 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2hxy s THR 115 N -3.27 0.05 0.11 0.52 -4.23 -1.26 -4.96 115.64 102.59 2hxy s THR 115 Ca 0.05 -0.42 -0.33 0.00 -1.18 0.00 0.00 61.69 59.81 2hxy s THR 115 Cb 0.09 -0.40 -0.13 0.00 1.34 0.00 0.00 72.50 73.41 2hxy s THR 115 CO 0.39 -0.23 1.56 0.03 -0.54 0.00 0.00 174.62 175.83 2hxy h ARG 116 N 4.80 -0.67 -0.75 3.99 3.08 -1.94 0.36 114.38 123.25 2hxy h ARG 116 Ca -0.29 0.05 0.08 0.00 0.07 0.00 0.00 59.98 59.89 2hxy h ARG 116 Cb 1.19 0.15 -0.11 0.00 0.08 0.00 0.00 29.97 31.28 2hxy h ARG 116 CO 0.40 -0.45 -0.53 0.93 -1.07 0.00 0.00 179.97 179.25 2hxy h GLU 117 N -0.70 -0.15 -0.94 0.04 3.07 -1.99 0.14 114.58 114.04 2hxy h GLU 117 Ca 0.01 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2hxy h GLU 117 Cb 0.73 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.63 2hxy h GLU 117 CO -0.31 -0.10 0.62 1.25 -1.40 0.00 0.00 179.01 179.07 2hxy h LEU 118 N -0.16 1.07 -0.60 1.33 5.85 -1.81 -1.60 115.31 119.38 2hxy h LEU 118 Ca 0.16 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.95 2hxy h LEU 118 Cb 0.51 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 2hxy h LEU 118 CO -0.80 0.77 0.20 0.00 -0.34 0.00 0.00 178.44 178.27 2hxy h ALA 119 N 1.42 0.77 0.42 1.25 0.00 0.24 -1.55 119.26 121.80 2hxy h ALA 119 Ca 0.35 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2hxy h ALA 119 Cb -0.13 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2hxy h ALA 119 CO -0.08 -0.22 -0.20 0.28 0.00 0.00 0.00 179.25 179.03 2hxy h VAL 120 N 0.37 0.59 -0.86 0.00 2.07 -0.42 -2.79 116.25 115.22 2hxy h VAL 120 Ca 0.31 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.84 2hxy h VAL 120 Cb 0.40 0.66 -0.15 0.00 -1.52 0.00 0.00 31.29 30.68 2hxy h VAL 120 CO -0.33 0.03 -0.35 1.56 0.02 0.00 0.00 177.57 178.50 2hxy h GLN 121 N -0.63 -0.05 -0.97 1.57 4.20 -0.61 0.99 115.11 119.60 2hxy h GLN 121 Ca -0.06 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.87 2hxy h GLN 121 Cb 0.47 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.15 2hxy h GLN 121 CO 0.09 -0.03 0.55 0.82 -0.67 0.00 0.00 178.83 179.60 2hxy h ILE 122 N -0.05 0.60 0.38 2.54 2.04 -1.15 0.30 117.51 122.17 2hxy h ILE 122 Ca 0.32 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 2hxy h ILE 122 Cb 0.59 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2hxy h ILE 122 CO -0.89 0.11 -0.18 -0.61 0.00 0.00 0.00 178.15 176.58 2hxy h GLN 123 N 0.62 -0.50 -1.21 2.37 4.15 0.11 0.42 115.11 121.07 2hxy h GLN 123 Ca 0.59 0.03 0.37 0.00 0.77 0.00 0.00 58.65 60.41 2hxy h GLN 123 Cb 1.04 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 28.73 2hxy h GLN 123 CO -0.44 -0.33 0.79 0.87 -1.93 0.00 0.00 178.83 177.78 2hxy h LYS 124 N -0.80 0.19 -0.01 1.69 1.57 -0.10 0.26 116.57 119.38 2hxy h LYS 124 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2hxy h LYS 124 Cb 0.40 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2hxy h LYS 124 CO 0.09 0.13 -0.05 0.78 -0.57 0.00 0.00 179.45 179.83 2hxy h GLY 125 N 0.20 0.06 0.40 3.86 0.00 -0.38 -1.93 103.07 105.28 2hxy h GLY 125 Ca 0.72 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 48.06 2hxy h GLY 125 CO -0.35 0.07 0.16 1.41 0.00 0.00 0.00 176.54 177.83 2hxy h LEU 126 N -0.58 0.11 -0.61 3.11 3.38 0.17 0.84 115.31 121.74 2hxy h LEU 126 Ca -0.00 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2hxy h LEU 126 Cb 0.70 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2hxy h LEU 126 CO 0.01 0.09 0.35 -0.07 0.09 0.00 0.00 178.44 178.91 2hxy h LEU 127 N 0.32 0.74 -1.35 1.67 3.38 -1.00 -0.53 115.31 118.55 2hxy h LEU 127 Ca 0.27 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 2hxy h LEU 127 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2hxy h LEU 127 CO -0.30 0.60 -0.02 0.00 0.09 0.00 0.00 178.44 178.81 2hxy h ALA 128 N 1.17 1.47 0.03 1.53 0.00 -0.45 0.17 119.26 123.18 2hxy h ALA 128 Ca 0.22 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2hxy h ALA 128 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2hxy h ALA 128 CO -0.04 0.38 -0.99 -0.07 0.00 0.00 0.00 179.25 178.53 2hxy h LEU 129 N 0.40 0.14 -3.21 0.00 3.38 -0.07 -3.28 115.31 112.68 2hxy h LEU 129 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hxy h LEU 129 Cb 0.29 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2hxy h LEU 129 CO 0.01 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.19 2hxy n GLY 130 N 1.18 3.28 0.52 0.83 0.00 -0.28 -4.07 105.19 106.64 2hxy n GLY 130 Ca -0.03 -0.85 0.41 0.00 0.00 0.00 0.00 46.02 45.55 2hxy n GLY 130 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hxy h ASP 131 N 2.85 0.17 -0.43 1.61 -0.00 -1.02 2.57 116.42 122.17 2hxy h ASP 131 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.14 2hxy h ASP 131 Cb 1.40 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.84 2hxy h ASP 131 CO 0.23 -0.15 0.00 -1.22 -0.00 0.00 0.00 179.24 178.10 2hxy n TYR 132 N -4.52 0.86 0.14 0.28 4.01 -1.26 -3.56 117.16 113.11 2hxy n TYR 132 Ca 0.39 -0.36 0.03 0.00 -0.16 0.00 0.00 57.90 57.80 2hxy n TYR 132 Cb 1.57 -0.13 0.04 0.00 -0.31 0.00 0.00 39.34 40.51 2hxy n TYR 132 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2hxy n MET 133 N 0.69 0.58 -4.01 -0.72 2.81 0.86 -4.78 117.12 112.56 2hxy n MET 133 Ca 0.16 -1.07 -0.39 0.00 -1.81 0.00 0.00 57.70 54.59 2hxy n MET 133 Cb 0.55 -1.11 0.01 0.00 -0.71 0.00 0.00 33.22 31.95 2hxy n MET 133 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2hxy n ASN 134 N 0.22 -3.33 -4.90 7.83 5.15 -1.16 -4.91 115.26 114.16 2hxy n ASN 134 Ca 0.04 -1.21 -0.33 0.00 -0.60 0.00 0.00 54.58 52.48 2hxy n ASN 134 Cb 0.19 -2.19 -0.05 0.00 -0.53 0.00 0.00 39.78 37.20 2hxy n ASN 134 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2hxy s VAL 135 N -3.68 5.40 -0.22 3.44 0.11 -1.26 -5.09 120.40 119.09 2hxy s VAL 135 Ca 0.38 -0.17 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 2hxy s VAL 135 Cb -0.18 -3.52 -0.03 0.00 -1.53 0.00 0.00 36.38 31.11 2hxy s VAL 135 CO 0.94 0.33 0.07 -1.10 -3.33 0.00 0.00 175.10 172.01 2hxy s GLN 136 N -1.93 3.79 -0.04 1.54 -1.52 -1.26 -5.00 119.66 115.24 2hxy s GLN 136 Ca 0.27 -0.42 -0.02 0.00 -1.95 0.00 0.00 55.36 53.24 2hxy s GLN 136 Cb -0.13 -3.28 0.03 0.00 -0.22 0.00 0.00 33.01 29.41 2hxy s GLN 136 CO 0.18 0.00 0.09 0.00 -0.25 0.00 0.00 175.29 175.32 2hxy s HIS 138 N 0.82 0.98 -0.10 0.00 2.46 -0.64 -4.99 115.29 113.81 2hxy s HIS 138 Ca -0.06 -0.55 0.01 0.00 0.47 0.00 0.00 55.06 54.93 2hxy s HIS 138 Cb -0.09 -0.55 -0.02 0.00 -0.13 0.00 0.00 32.58 31.79 2hxy s HIS 138 CO -0.03 -0.01 -0.13 0.00 -2.47 0.00 0.00 174.74 172.09 2hxy s ALA 139 N -1.77 2.66 -0.04 1.58 0.00 -1.26 -1.11 121.76 121.83 2hxy s ALA 139 Ca -0.02 -0.92 -0.07 0.00 0.00 0.00 0.00 51.96 50.96 2hxy s ALA 139 Cb -0.07 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 2hxy s ALA 139 CO 0.01 0.37 0.22 0.00 0.00 0.00 0.00 175.76 176.36 2hxy n ILE 141 N 1.45 0.00 0.00 0.00 5.41 -1.26 -4.36 119.36 120.61 2hxy n ILE 141 Ca -0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.61 2hxy n ILE 141 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 2hxy n ILE 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hxy n GLY 142 N -1.72 1.73 0.00 7.39 0.00 -1.26 -4.71 105.19 106.63 2hxy n GLY 142 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2hxy n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hxy n GLY 143 N 0.00 3.18 0.01 -0.02 0.00 -1.26 -4.63 105.19 102.47 2hxy n GLY 143 Ca 0.00 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.25 2hxy n GLY 143 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2hxy n THR 144 N 0.00 0.54 0.44 2.61 -1.04 -1.26 -2.65 114.28 112.92 2hxy n THR 144 Ca 0.00 0.12 0.05 0.00 -2.04 0.00 0.00 64.05 62.18 2hxy n THR 144 Cb 0.00 -0.77 -0.04 0.00 -1.82 0.00 0.00 70.33 67.70 2hxy n THR 144 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2hxy n ASN 145 N -1.56 0.63 -0.64 8.00 2.85 -1.26 -4.70 115.26 118.58 2hxy n ASN 145 Ca 0.05 -0.82 0.49 0.00 -0.11 0.00 0.00 54.58 54.19 2hxy n ASN 145 Cb 0.26 0.87 0.76 0.00 1.24 0.00 0.00 39.78 42.91 2hxy n ASN 145 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 2hxy n VAL 146 N -0.98 -0.04 -0.03 3.44 0.24 -1.09 0.80 118.33 120.67 2hxy n VAL 146 Ca 0.02 1.48 -0.13 0.00 -2.04 0.00 0.00 64.34 63.67 2hxy n VAL 146 Cb 0.16 -2.45 -0.10 0.00 -1.47 0.00 0.00 33.84 29.98 2hxy n VAL 146 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2hxy h GLY 147 N 0.00 0.14 1.67 7.63 0.00 -1.84 -0.72 103.07 109.96 2hxy h GLY 147 Ca 0.89 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.99 2hxy h GLY 147 CO -0.09 0.15 -0.17 -2.09 0.00 0.00 0.00 176.54 174.34 2hxy h GLU 148 N -0.40 0.39 0.62 4.80 4.57 0.06 0.14 114.58 124.76 2hxy h GLU 148 Ca 0.00 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 2hxy h GLU 148 Cb 0.66 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 2hxy h GLU 148 CO 0.02 0.55 -0.48 -0.44 -1.18 0.00 0.00 179.01 177.49 2hxy h ASP 149 N 0.36 -1.26 -0.11 1.04 3.32 -0.08 -1.51 116.42 118.19 2hxy h ASP 149 Ca 0.07 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2hxy h ASP 149 Cb 0.51 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 2hxy h ASP 149 CO 0.03 -0.69 -0.15 0.40 -1.72 0.00 0.00 179.24 177.12 2hxy h ILE 150 N -1.06 1.23 -0.26 0.35 2.04 -0.95 -2.33 117.51 116.53 2hxy h ILE 150 Ca -0.08 -1.04 0.06 0.00 1.00 0.00 0.00 64.86 64.80 2hxy h ILE 150 Cb 0.89 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 2hxy h ILE 150 CO 0.02 0.34 -0.16 -0.09 0.00 0.00 0.00 178.15 178.25 2hxy h ARG 151 N 0.43 -0.13 -0.19 2.37 2.43 -0.35 -2.72 114.38 116.22 2hxy h ARG 151 Ca 0.08 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 2hxy h ARG 151 Cb 0.51 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2hxy h ARG 151 CO 0.03 -0.09 -0.38 0.87 -1.51 0.00 0.00 179.97 178.89 2hxy h LYS 152 N -0.14 0.60 -1.21 0.20 1.57 -1.12 -3.05 116.57 113.42 2hxy h LYS 152 Ca 0.14 -0.39 0.35 0.00 -1.87 0.00 0.00 60.65 58.88 2hxy h LYS 152 Cb 0.35 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 2hxy h LYS 152 CO -0.35 1.00 0.85 -0.07 -0.57 0.00 0.00 179.45 180.31 2hxy h LEU 153 N 0.27 0.09 0.10 2.94 3.38 -1.12 0.27 115.31 121.24 2hxy h LEU 153 Ca 0.01 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 2hxy h LEU 153 Cb 0.98 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2hxy h LEU 153 CO 0.08 0.01 -1.22 0.44 0.09 0.00 0.00 178.44 177.84 2hxy h ASP 154 N 0.07 0.34 0.00 -0.43 3.32 -1.39 -3.00 116.42 115.32 2hxy h ASP 154 Ca 0.60 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2hxy h ASP 154 Cb 2.23 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 41.67 2hxy h ASP 154 CO -0.08 1.29 0.01 0.22 -1.72 0.00 0.00 179.24 178.97 2hxy h TYR 155 N 0.06 0.00 -0.48 4.55 3.20 -0.40 -3.46 116.97 120.44 2hxy h TYR 155 Ca -0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2hxy h TYR 155 Cb 1.94 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.21 2hxy h TYR 155 CO 0.05 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.98 2hxy n GLY 156 N -1.21 -0.57 3.52 1.82 0.00 -1.04 -4.96 105.19 102.75 2hxy n GLY 156 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 2hxy n GLY 156 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hxy s GLN 157 N -0.03 3.38 0.47 1.61 -1.52 -1.25 -4.56 119.66 117.75 2hxy s GLN 157 Ca 0.00 -0.41 0.20 0.00 -1.95 0.00 0.00 55.36 53.21 2hxy s GLN 157 Cb 0.00 -3.89 1.20 0.00 -0.22 0.00 0.00 33.01 30.10 2hxy s GLN 157 CO 0.00 -0.79 1.93 0.45 -0.25 0.00 0.00 175.29 176.63 2hxy h HIS 158 N 8.65 0.29 -3.27 0.91 3.86 -1.13 -2.35 115.15 122.12 2hxy h HIS 158 Ca -0.27 0.01 -0.19 0.00 -1.16 0.00 0.00 60.37 58.76 2hxy h HIS 158 Cb 1.11 -0.09 -0.27 0.00 1.06 0.00 0.00 27.41 29.22 2hxy h HIS 158 CO 0.69 0.11 -0.52 0.08 0.86 0.00 0.00 177.93 179.15 2hxy s VAL 159 N -5.25 -0.01 0.03 2.45 1.01 -1.17 -1.52 120.40 115.94 2hxy s VAL 159 Ca -0.07 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.01 2hxy s VAL 159 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 36.30 2hxy s VAL 159 CO 0.76 0.01 -0.19 -0.69 0.00 0.00 0.00 175.10 174.99 2hxy s VAL 160 N 0.34 1.51 0.05 2.92 1.01 -0.80 -1.63 120.40 123.81 2hxy s VAL 160 Ca -0.02 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2hxy s VAL 160 Cb -0.03 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2hxy s VAL 160 CO -0.01 0.23 -0.09 0.00 0.00 0.00 0.00 175.10 175.23 2hxy s ALA 161 N -0.70 0.71 0.00 5.51 0.00 -0.26 0.11 121.76 127.13 2hxy s ALA 161 Ca 0.06 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2hxy s ALA 161 Cb -0.08 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2hxy s ALA 161 CO 0.01 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2hxy n GLY 162 N 1.29 0.98 3.75 0.00 0.00 -0.86 0.20 105.19 110.55 2hxy n GLY 162 Ca -0.22 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2hxy n GLY 162 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hxy s THR 163 N -2.00 3.03 0.32 2.61 -4.23 -1.25 -2.36 115.64 111.75 2hxy s THR 163 Ca 0.00 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.94 2hxy s THR 163 Cb 0.00 -2.83 0.30 0.00 1.34 0.00 0.00 72.50 71.30 2hxy s THR 163 CO 0.00 -0.38 1.87 -0.65 -0.54 0.00 0.00 174.62 174.92 2hxy h PRO 164 N -0.80 0.87 0.00 3.99 0.11 -1.95 -0.68 132.00 133.54 2hxy h PRO 164 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2hxy h PRO 164 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2hxy h PRO 164 CO 0.51 0.58 0.00 0.41 -0.21 0.00 0.00 178.00 179.28 2hxy n GLY 165 N -1.39 -2.50 0.26 -0.55 0.00 -1.26 -1.53 105.19 98.21 2hxy n GLY 165 Ca 0.17 0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.26 2hxy n GLY 165 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2hxy h ARG 166 N 0.00 0.29 -0.96 1.61 9.65 -1.91 -0.61 114.38 122.45 2hxy h ARG 166 Ca 0.00 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 2hxy h ARG 166 Cb 0.00 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 2hxy h ARG 166 CO 0.00 0.19 0.62 0.28 2.80 0.00 0.00 179.97 183.86 2hxy h VAL 167 N 0.30 1.11 -0.51 0.20 2.07 -1.11 -1.49 116.25 116.82 2hxy h VAL 167 Ca 0.38 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2hxy h VAL 167 Cb 0.62 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2hxy h VAL 167 CO -0.46 0.21 0.10 0.15 0.02 0.00 0.00 177.57 177.59 2hxy h PHE 168 N 1.15 0.88 0.39 1.57 3.57 -0.07 -2.71 116.94 121.72 2hxy h PHE 168 Ca 0.40 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 2hxy h PHE 168 Cb 0.11 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2hxy h PHE 168 CO -0.00 0.79 -0.46 0.22 -2.23 0.00 0.00 178.31 176.63 2hxy h ASP 169 N 0.71 -1.29 -0.47 0.41 -0.00 -0.48 0.21 116.42 115.52 2hxy h ASP 169 Ca 0.16 0.11 0.14 0.00 -0.00 0.00 0.00 57.03 57.43 2hxy h ASP 169 Cb 0.37 0.43 -0.02 0.00 -0.00 0.00 0.00 39.33 40.12 2hxy h ASP 169 CO 0.01 -0.58 0.60 0.24 -0.00 0.00 0.00 179.24 179.51 2hxy h MET 170 N -0.87 0.00 0.21 0.28 2.86 -1.29 0.27 114.93 116.39 2hxy h MET 170 Ca -0.05 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.25 2hxy h MET 170 Cb 0.77 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.45 2hxy h MET 170 CO -0.09 0.00 -1.64 0.82 1.06 0.00 0.00 176.91 177.06 2hxy h ILE 171 N 0.00 1.06 -0.29 -1.22 2.04 -0.84 0.36 117.51 118.62 2hxy h ILE 171 Ca 0.22 -2.56 -0.03 0.00 1.00 0.00 0.00 64.86 63.49 2hxy h ILE 171 Cb 1.43 2.86 -0.01 0.00 -0.74 0.00 0.00 36.82 40.36 2hxy h ILE 171 CO -0.00 0.84 0.06 -0.09 0.00 0.00 0.00 178.15 178.96 2hxy h ARG 172 N 0.09 0.46 -0.10 2.37 2.43 0.24 -2.08 114.38 117.80 2hxy h ARG 172 Ca -0.31 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2hxy h ARG 172 Cb 2.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.59 2hxy h ARG 172 CO 0.20 0.55 0.00 0.54 -1.51 0.00 0.00 179.97 179.75 2hxy n ARG 173 N -4.67 0.45 -1.33 0.20 1.74 0.64 -4.77 116.66 108.91 2hxy n ARG 173 Ca -0.03 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.93 2hxy n ARG 173 Cb 0.19 -1.05 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2hxy n ARG 173 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hxy n ARG 174 N -0.33 -1.51 0.06 5.56 3.00 -0.78 -4.81 116.66 117.85 2hxy n ARG 174 Ca 0.00 0.85 -0.17 0.00 -0.01 0.00 0.00 57.85 58.52 2hxy n ARG 174 Cb 0.02 -5.11 -0.14 0.00 0.00 0.00 0.00 32.46 27.23 2hxy n ARG 174 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2hxy h SER 175 N 0.00 0.41 -3.68 0.55 0.02 -1.38 -3.45 113.55 106.02 2hxy h SER 175 Ca -0.26 -0.56 -0.62 0.00 -0.84 0.00 0.00 61.79 59.50 2hxy h SER 175 Cb 1.02 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 63.29 2hxy h SER 175 CO 0.39 1.47 -0.28 -0.22 -1.14 0.00 0.00 176.83 177.05 2hxy s LEU 176 N -7.00 4.07 -0.69 5.07 2.96 0.11 -4.65 118.68 118.55 2hxy s LEU 176 Ca -0.09 0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 53.88 2hxy s LEU 176 Cb 0.07 -2.39 0.07 0.00 0.50 0.00 0.00 46.19 44.44 2hxy s LEU 176 CO 0.85 -0.13 1.03 -0.13 -1.32 0.00 0.00 176.35 176.65 2hxy s ARG 177 N 1.80 3.15 0.10 1.98 1.81 -1.26 -4.65 118.95 121.88 2hxy s ARG 177 Ca 0.14 -0.78 -0.14 0.00 -1.72 0.00 0.00 55.73 53.24 2hxy s ARG 177 Cb -0.15 -4.26 -0.12 0.00 -0.45 0.00 0.00 34.95 29.96 2hxy s ARG 177 CO 0.09 -1.88 1.35 1.79 -0.68 0.00 0.00 175.30 175.98 2hxy h THR 178 N 5.99 1.30 0.00 0.02 1.35 -1.89 -3.37 112.91 116.31 2hxy h THR 178 Ca -0.26 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2hxy h THR 178 Cb 1.06 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2hxy h THR 178 CO 1.20 0.56 0.00 -1.14 -0.25 0.00 0.00 175.52 175.89 2hxy n ARG 179 N -4.08 0.00 -0.53 4.72 0.63 -1.26 0.20 116.66 116.34 2hxy n ARG 179 Ca -0.06 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 56.95 2hxy n ARG 179 Cb 0.63 0.00 0.29 0.00 0.45 0.00 0.00 32.46 33.83 2hxy n ARG 179 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hxy n ALA 180 N -2.52 3.06 -2.22 5.13 0.00 -1.26 -4.81 120.51 117.88 2hxy n ALA 180 Ca 0.00 -1.30 -0.42 0.00 0.00 0.00 0.00 53.44 51.72 2hxy n ALA 180 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 2hxy n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2hxy s ILE 181 N -1.85 3.78 -0.02 0.00 1.01 0.52 -4.30 121.20 120.35 2hxy s ILE 181 Ca 0.42 1.38 0.02 0.00 0.00 0.00 0.00 60.65 62.47 2hxy s ILE 181 Cb 0.27 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.89 2hxy s ILE 181 CO 0.19 0.16 0.86 2.29 0.00 0.00 0.00 174.94 178.45 2hxy n LYS 182 N 3.22 1.62 -3.63 2.79 2.85 0.13 -4.62 118.16 120.53 2hxy n LYS 182 Ca 0.07 -1.27 -0.03 0.00 -1.05 0.00 0.00 58.31 56.02 2hxy n LYS 182 Cb 0.45 -0.86 -0.05 0.00 -0.65 0.00 0.00 35.03 33.92 2hxy n LYS 182 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2hxy s MET 183 N -0.83 0.59 -0.17 -1.58 0.00 -1.12 -3.36 119.30 112.84 2hxy s MET 183 Ca 0.04 1.27 -0.02 0.00 0.00 0.00 0.00 55.69 56.98 2hxy s MET 183 Cb 0.03 0.52 -0.01 0.00 0.00 0.00 0.00 34.83 35.37 2hxy s MET 183 CO 0.00 -0.17 -0.10 -1.17 0.00 0.00 0.00 175.02 173.59 2hxy s LEU 184 N 2.30 2.77 -0.17 4.11 2.96 0.71 -0.72 118.68 130.64 2hxy s LEU 184 Ca -0.07 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 2hxy s LEU 184 Cb -0.08 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.95 2hxy s LEU 184 CO -0.19 0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.08 2hxy s VAL 185 N 0.79 2.48 -0.82 1.68 1.01 0.21 -0.85 120.40 124.90 2hxy s VAL 185 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 2hxy s VAL 185 Cb -0.15 -2.05 0.21 0.00 0.00 0.00 0.00 36.38 34.39 2hxy s VAL 185 CO 0.01 0.52 0.71 -0.76 0.00 0.00 0.00 175.10 175.58 2hxy s LEU 186 N 1.02 5.81 0.49 3.92 1.43 -0.67 -0.77 118.68 129.91 2hxy s LEU 186 Ca -0.02 -3.22 -0.22 0.00 -1.03 0.00 0.00 54.13 49.65 2hxy s LEU 186 Cb -0.15 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.01 2hxy s LEU 186 CO -0.04 -0.34 1.13 -0.62 0.23 0.00 0.00 176.35 176.71 2hxy s ASP 187 N 0.79 6.09 -1.71 2.29 -1.08 -0.72 -1.55 116.67 120.78 2hxy s ASP 187 Ca 0.23 2.20 -0.12 0.00 -0.52 0.00 0.00 52.55 54.34 2hxy s ASP 187 Cb -0.12 -2.59 0.12 0.00 -1.46 0.00 0.00 42.92 38.86 2hxy s ASP 187 CO -0.08 -0.97 0.30 -0.62 0.52 0.00 0.00 175.17 174.33 2hxy n GLU 188 N -0.78 -0.92 -0.11 4.34 1.02 -0.87 -4.46 120.64 118.88 2hxy n GLU 188 Ca 0.09 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.30 2hxy n GLU 188 Cb 0.50 -4.16 0.02 0.00 -0.02 0.00 0.00 31.44 27.78 2hxy n GLU 188 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hxy h ALA 189 N 0.83 0.37 -0.98 0.62 0.00 -1.35 -1.16 119.26 117.58 2hxy h ALA 189 Ca -0.63 0.09 0.27 0.00 0.00 0.00 0.00 54.91 54.64 2hxy h ALA 189 Cb 1.39 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 2hxy h ALA 189 CO 0.80 -0.36 0.54 0.38 0.00 0.00 0.00 179.25 180.61 2hxy h ASP 190 N 0.15 0.54 -0.08 0.00 2.03 -1.82 0.20 116.42 117.45 2hxy h ASP 190 Ca 0.18 0.16 -0.03 0.00 -0.73 0.00 0.00 57.03 56.61 2hxy h ASP 190 Cb 0.23 0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 38.82 2hxy h ASP 190 CO -0.26 -0.01 -0.05 -0.08 -1.03 0.00 0.00 179.24 177.81 2hxy h GLU 191 N 0.45 0.17 -1.17 4.15 4.57 -1.60 -2.89 114.58 118.26 2hxy h GLU 191 Ca 0.66 -0.08 0.40 0.00 -1.18 0.00 0.00 59.36 59.17 2hxy h GLU 191 Cb 1.36 -0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.81 2hxy h GLU 191 CO -0.54 0.57 0.72 0.52 -1.18 0.00 0.00 179.01 179.09 2hxy h MET 192 N -0.22 0.12 -0.03 1.92 2.86 0.22 0.25 114.93 120.04 2hxy h MET 192 Ca 0.02 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 2hxy h MET 192 Cb 0.52 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.16 2hxy h MET 192 CO 0.01 0.08 -0.56 -0.07 1.06 0.00 0.00 176.91 177.43 2hxy h LEU 193 N 0.12 0.55 -2.16 1.22 3.38 -1.21 -2.29 115.31 114.93 2hxy h LEU 193 Ca 0.80 -0.72 0.07 0.00 0.09 0.00 0.00 57.88 58.13 2hxy h LEU 193 Cb 2.29 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.86 2hxy h LEU 193 CO -0.54 1.19 0.26 0.78 0.09 0.00 0.00 178.44 180.22 2hxy h ASN 194 N -0.04 0.00 -0.57 -0.43 4.21 -0.34 1.22 115.58 119.63 2hxy h ASN 194 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 2hxy h ASN 194 Cb 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2hxy h ASN 194 CO 0.11 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.54 2hxy n LYS 195 N -3.82 2.61 -3.45 0.81 5.02 -0.67 -4.98 118.16 113.68 2hxy n LYS 195 Ca 0.03 -2.17 -0.19 0.00 -2.02 0.00 0.00 58.31 53.95 2hxy n LYS 195 Cb 0.39 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.89 2hxy n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hxy n GLY 196 N 1.30 -1.14 0.46 0.72 0.00 0.42 -4.92 105.19 102.03 2hxy n GLY 196 Ca 0.20 0.51 0.05 0.00 0.00 0.00 0.00 46.02 46.77 2hxy n GLY 196 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hxy n PHE 197 N -3.18 0.22 -0.01 1.61 3.01 -0.87 -4.81 117.46 113.42 2hxy n PHE 197 Ca -0.09 -0.29 -0.00 0.00 1.01 0.00 0.00 57.45 58.07 2hxy n PHE 197 Cb 0.59 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 40.04 2hxy n PHE 197 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2hxy n LYS 198 N 0.41 -0.01 0.08 -1.08 4.81 -1.26 -1.59 118.16 119.52 2hxy n LYS 198 Ca 0.08 0.59 -0.12 0.00 -0.87 0.00 0.00 58.31 57.98 2hxy n LYS 198 Cb 0.32 -0.88 -0.05 0.00 0.02 0.00 0.00 35.03 34.44 2hxy n LYS 198 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2hxy h GLU 199 N 0.00 -0.48 -0.80 1.64 4.39 -2.00 -2.63 114.58 114.70 2hxy h GLU 199 Ca 0.00 0.03 0.19 0.00 0.34 0.00 0.00 59.36 59.93 2hxy h GLU 199 Cb 0.01 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 28.64 2hxy h GLU 199 CO -0.03 -0.32 0.15 1.96 -1.16 0.00 0.00 179.01 179.61 2hxy h GLN 200 N -0.49 0.19 0.48 2.33 7.50 -1.66 0.80 115.11 124.26 2hxy h GLN 200 Ca 0.05 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 2hxy h GLN 200 Cb 0.56 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 2hxy h GLN 200 CO -0.23 0.12 -0.48 0.82 -1.50 0.00 0.00 178.83 177.56 2hxy h ILE 201 N 0.19 0.00 -0.71 2.54 1.08 -1.01 -0.29 117.51 119.31 2hxy h ILE 201 Ca 0.47 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 65.09 2hxy h ILE 201 Cb 0.88 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.50 2hxy h ILE 201 CO -0.62 0.00 -0.14 1.88 -0.69 0.00 0.00 178.15 178.58 2hxy h TYR 202 N -0.96 -0.30 -0.52 1.37 -1.99 -0.73 0.12 116.97 113.96 2hxy h TYR 202 Ca -0.06 0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.80 2hxy h TYR 202 Cb 0.83 0.25 -0.06 0.00 2.00 0.00 0.00 36.73 39.75 2hxy h TYR 202 CO -0.24 -0.29 0.20 -0.44 -0.00 0.00 0.00 178.16 177.39 2hxy h ASP 203 N 0.02 0.23 -0.36 3.88 3.45 -0.48 -0.14 116.42 123.02 2hxy h ASP 203 Ca 0.35 0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.84 2hxy h ASP 203 Cb 0.55 0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.33 2hxy h ASP 203 CO -0.71 0.16 0.15 0.58 -1.57 0.00 0.00 179.24 177.85 2hxy h VAL 204 N 0.39 1.16 -0.10 -1.35 2.07 1.00 0.29 116.25 119.72 2hxy h VAL 204 Ca 0.25 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 2hxy h VAL 204 Cb 0.25 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2hxy h VAL 204 CO -0.24 0.20 -0.34 0.22 0.02 0.00 0.00 177.57 177.43 2hxy h TYR 205 N 0.59 0.22 0.00 1.57 3.20 -0.65 -2.65 116.97 119.25 2hxy h TYR 205 Ca 0.14 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2hxy h TYR 205 Cb 0.14 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2hxy h TYR 205 CO 0.01 0.52 0.00 -2.13 -1.64 0.00 0.00 178.16 174.92 2hxy n ARG 206 N -4.09 0.27 0.00 1.82 0.63 0.10 -2.22 116.66 113.17 2hxy n ARG 206 Ca -0.01 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 2hxy n ARG 206 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2hxy n ARG 206 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2hxy n TYR 207 N -1.03 0.00 -3.33 -0.14 4.01 -1.01 -5.03 117.16 110.64 2hxy n TYR 207 Ca 0.06 -0.04 -0.24 0.00 -0.16 0.00 0.00 57.90 57.53 2hxy n TYR 207 Cb 0.03 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 2hxy n TYR 207 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2hxy s LEU 208 N -0.08 3.98 0.32 7.72 1.43 -0.94 -4.78 118.68 126.34 2hxy s LEU 208 Ca 0.00 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.30 2hxy s LEU 208 Cb 0.00 -3.35 -0.13 0.00 0.03 0.00 0.00 46.19 42.74 2hxy s LEU 208 CO 0.00 -0.32 1.23 -2.65 0.23 0.00 0.00 176.35 174.84 2hxy n PRO 209 N -1.82 1.94 -0.28 1.29 -0.02 -1.26 -4.90 135.00 129.95 2hxy n PRO 209 Ca -0.04 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 2hxy n PRO 209 Cb 0.56 -2.22 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 2hxy n PRO 209 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2hxy h PRO 210 N 2.51 -0.17 -4.09 0.52 0.13 -1.95 -3.04 132.00 125.90 2hxy h PRO 210 Ca -0.44 0.01 -0.74 0.00 -0.87 0.00 0.00 66.00 63.95 2hxy h PRO 210 Cb 1.30 0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 2hxy h PRO 210 CO 0.63 -0.11 1.84 0.00 -0.23 0.00 0.00 178.00 180.12 2hxy n ALA 211 N -3.20 4.74 -2.79 -0.56 0.00 -1.26 -4.97 120.51 112.48 2hxy n ALA 211 Ca 0.01 -4.25 -0.35 0.00 0.00 0.00 0.00 53.44 48.85 2hxy n ALA 211 Cb 0.32 -3.06 -0.09 0.00 0.00 0.00 0.00 19.45 16.62 2hxy n ALA 211 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2hxy s THR 212 N 1.11 4.68 0.06 0.00 2.01 -1.15 -5.03 115.64 117.32 2hxy s THR 212 Ca 0.42 -0.09 -0.31 0.00 0.31 0.00 0.00 61.69 62.02 2hxy s THR 212 Cb 0.05 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.46 2hxy s THR 212 CO 0.00 0.55 1.26 -1.58 -0.69 0.00 0.00 174.62 174.17 2hxy s GLN 213 N -0.42 4.39 -0.18 4.92 0.74 -1.21 -4.90 119.66 122.99 2hxy s GLN 213 Ca 0.09 1.85 0.00 0.00 0.05 0.00 0.00 55.36 57.35 2hxy s GLN 213 Cb -0.12 -3.35 0.04 0.00 1.10 0.00 0.00 33.01 30.68 2hxy s GLN 213 CO 0.02 -0.34 -0.08 0.08 -0.55 0.00 0.00 175.29 174.42 2hxy s VAL 214 N 1.25 1.39 -0.36 1.34 1.01 -1.26 -0.21 120.40 123.56 2hxy s VAL 214 Ca 0.60 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 2hxy s VAL 214 Cb -0.31 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2hxy s VAL 214 CO 0.29 0.16 0.23 -0.69 0.00 0.00 0.00 175.10 175.08 2hxy s VAL 215 N 1.51 4.96 -0.21 2.92 1.01 -0.03 -2.85 120.40 127.71 2hxy s VAL 215 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 2hxy s VAL 215 Cb -0.16 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2hxy s VAL 215 CO -0.08 -0.13 0.11 -0.22 0.00 0.00 0.00 175.10 174.77 2hxy s LEU 216 N 1.65 3.95 -0.13 3.92 0.20 0.69 -1.68 118.68 127.28 2hxy s LEU 216 Ca 0.04 0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.93 2hxy s LEU 216 Cb -0.18 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 2hxy s LEU 216 CO 0.09 0.12 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.63 2hxy s ILE 217 N 0.70 4.17 -0.29 6.68 -1.09 -0.59 -1.87 121.20 128.90 2hxy s ILE 217 Ca 0.06 -0.28 -0.18 0.00 -2.23 0.00 0.00 60.65 58.02 2hxy s ILE 217 Cb -0.13 -2.80 0.14 0.00 -1.58 0.00 0.00 42.46 38.09 2hxy s ILE 217 CO 0.01 0.54 0.99 -0.55 -1.23 0.00 0.00 174.94 174.70 2hxy s SER 218 N -0.19 -0.50 0.23 3.58 0.15 -0.76 -1.64 113.70 114.57 2hxy s SER 218 Ca 0.05 0.83 -0.08 0.00 0.70 0.00 0.00 55.95 57.45 2hxy s SER 218 Cb -0.13 1.11 0.23 0.00 -1.71 0.00 0.00 66.02 65.52 2hxy s SER 218 CO 0.02 -0.13 1.90 0.00 1.20 0.00 0.00 173.24 176.23 2hxy h ALA 219 N 5.60 1.13 -2.07 5.45 0.00 -1.87 -1.80 119.26 125.70 2hxy h ALA 219 Ca -0.28 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 2hxy h ALA 219 Cb 1.19 -0.34 -0.14 0.00 0.00 0.00 0.00 17.79 18.50 2hxy h ALA 219 CO 0.17 0.49 -0.72 0.95 0.00 0.00 0.00 179.25 180.15 2hxy s THR 220 N -6.12 2.31 -0.42 0.00 -4.23 -1.26 -4.56 115.64 101.36 2hxy s THR 220 Ca -0.13 -2.29 0.02 0.00 -1.18 0.00 0.00 61.69 58.11 2hxy s THR 220 Cb 0.17 -2.47 0.15 0.00 1.34 0.00 0.00 72.50 71.68 2hxy s THR 220 CO 0.80 -0.30 0.27 -0.76 -0.54 0.00 0.00 174.62 174.09 2hxy s LEU 221 N -3.55 1.89 0.85 4.79 1.43 -1.26 -4.63 118.68 118.19 2hxy s LEU 221 Ca 0.31 -2.67 -0.11 0.00 -1.03 0.00 0.00 54.13 50.63 2hxy s LEU 221 Cb -0.01 -0.69 0.10 0.00 0.03 0.00 0.00 46.19 45.62 2hxy s LEU 221 CO 0.15 -0.24 1.10 -2.84 0.23 0.00 0.00 176.35 174.74 2hxy s PRO 222 N 0.41 1.63 0.00 1.29 0.02 -1.26 -4.90 135.00 132.19 2hxy s PRO 222 Ca 0.22 1.07 0.05 0.00 0.02 0.00 0.00 61.00 62.36 2hxy s PRO 222 Cb -0.15 -1.83 0.28 0.00 0.02 0.00 0.00 34.50 32.82 2hxy s PRO 222 CO -0.06 -2.05 0.66 0.72 -0.33 0.00 0.00 177.00 175.94 2hxy n HIS 223 N -3.79 0.00 0.00 6.54 8.25 -1.26 -1.96 115.22 123.00 2hxy n HIS 223 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2hxy n HIS 223 Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2hxy n HIS 223 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2hxy n GLU 224 N -0.72 2.67 0.13 -0.41 2.13 -1.26 -4.04 120.64 119.13 2hxy n GLU 224 Ca 0.04 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.87 2hxy n GLU 224 Cb 0.02 -0.79 0.02 0.00 0.27 0.00 0.00 31.44 30.96 2hxy n GLU 224 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2hxy h ILE 225 N 0.00 0.97 -0.07 6.31 1.08 -1.75 -2.78 117.51 121.28 2hxy h ILE 225 Ca 0.00 -2.34 -0.18 0.00 -0.39 0.00 0.00 64.86 61.95 2hxy h ILE 225 Cb 0.00 2.46 0.01 0.00 -3.07 0.00 0.00 36.82 36.22 2hxy h ILE 225 CO 0.00 0.55 -0.66 -0.07 -0.69 0.00 0.00 178.15 177.28 2hxy h LEU 226 N 0.00 0.70 -2.17 1.44 3.38 -1.76 0.15 115.31 117.05 2hxy h LEU 226 Ca -0.01 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.34 2hxy h LEU 226 Cb 1.41 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2hxy h LEU 226 CO 0.07 1.28 0.27 -0.08 0.09 0.00 0.00 178.44 180.08 2hxy h GLU 227 N 0.17 0.00 0.06 1.13 4.57 -1.65 -0.90 114.58 117.96 2hxy h GLU 227 Ca -0.06 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.80 2hxy h GLU 227 Cb 1.32 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.89 2hxy h GLU 227 CO 0.13 0.00 -1.72 -0.12 -1.18 0.00 0.00 179.01 176.13 2hxy n MET 228 N -3.65 0.67 0.32 1.92 1.56 -1.04 -3.53 117.12 113.37 2hxy n MET 228 Ca 0.03 0.39 -0.19 0.00 -0.27 0.00 0.00 57.70 57.66 2hxy n MET 228 Cb 0.40 -1.71 -0.10 0.00 2.15 0.00 0.00 33.22 33.96 2hxy n MET 228 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 2hxy h THR 229 N -0.43 0.00 0.00 1.12 1.35 0.60 -1.24 112.91 114.31 2hxy h THR 229 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2hxy h THR 229 Cb 1.70 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2hxy h THR 229 CO -0.06 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 174.75 2hxy n ASN 230 N -5.58 0.60 0.24 5.36 0.23 -0.61 -2.12 115.26 113.39 2hxy n ASN 230 Ca -0.13 0.69 0.15 0.00 -0.53 0.00 0.00 54.58 54.76 2hxy n ASN 230 Cb 0.48 -0.80 0.43 0.00 -2.08 0.00 0.00 39.78 37.80 2hxy n ASN 230 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2hxy h LYS 231 N 0.00 0.00 -0.31 -3.83 3.64 -1.27 -3.37 116.57 111.43 2hxy h LYS 231 Ca 0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2hxy h LYS 231 Cb 0.24 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 31.84 2hxy h LYS 231 CO 0.00 0.00 -0.60 1.97 -2.27 0.00 0.00 179.45 178.55 2hxy n PHE 232 N -3.06 -1.45 -3.36 1.91 -0.00 -0.99 -5.07 117.46 105.44 2hxy n PHE 232 Ca 0.02 -2.20 -0.01 0.00 -0.00 0.00 0.00 57.45 55.27 2hxy n PHE 232 Cb 0.41 1.03 -0.04 0.00 -0.00 0.00 0.00 39.48 40.88 2hxy n PHE 232 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.76 178.17 2hxy s MET 233 N -0.76 0.50 -0.09 3.97 1.75 -0.90 -4.81 119.30 118.97 2hxy s MET 233 Ca 0.24 1.03 -0.15 0.00 -1.25 0.00 0.00 55.69 55.56 2hxy s MET 233 Cb 0.41 0.42 -0.05 0.00 2.84 0.00 0.00 34.83 38.45 2hxy s MET 233 CO -0.05 -0.48 0.37 0.95 -0.65 0.00 0.00 175.02 175.15 2hxy s THR 234 N 2.78 5.19 -0.40 10.11 -4.23 -1.26 -4.57 115.64 123.27 2hxy s THR 234 Ca 0.11 0.73 -0.17 0.00 -1.18 0.00 0.00 61.69 61.17 2hxy s THR 234 Cb -0.14 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.03 2hxy s THR 234 CO -0.19 0.45 0.44 -0.67 -0.54 0.00 0.00 174.62 174.12 2hxy n ASP 235 N 2.88 -3.54 -4.89 3.99 4.64 -1.26 -4.63 116.55 113.74 2hxy n ASP 235 Ca -0.12 -0.32 -0.29 0.00 -1.38 0.00 0.00 54.79 52.68 2hxy n ASP 235 Cb 0.52 -1.08 -0.01 0.00 -1.04 0.00 0.00 41.12 39.52 2hxy n ASP 235 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2hxy s PRO 236 N -2.52 3.62 -0.17 -0.67 0.04 -1.26 -4.52 135.00 129.52 2hxy s PRO 236 Ca 0.17 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.48 2hxy s PRO 236 Cb -0.02 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2hxy s PRO 236 CO 0.60 -0.27 0.38 0.42 0.04 0.00 0.00 177.00 178.18 2hxy s ILE 237 N -2.78 5.23 -0.17 0.56 -1.09 0.17 -4.97 121.20 118.16 2hxy s ILE 237 Ca 0.51 0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 59.57 2hxy s ILE 237 Cb -0.10 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 2hxy s ILE 237 CO 0.44 0.31 0.05 -0.13 -1.23 0.00 0.00 174.94 174.37 2hxy s ARG 238 N 0.93 3.91 -0.41 2.79 0.52 -1.26 -0.60 118.95 124.83 2hxy s ARG 238 Ca 0.20 -0.37 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 2hxy s ARG 238 Cb -0.14 -3.16 0.11 0.00 0.52 0.00 0.00 34.95 32.28 2hxy s ARG 238 CO 0.07 0.29 0.13 0.42 0.02 0.00 0.00 175.30 176.23 2hxy s ILE 239 N 0.31 2.40 0.46 1.52 1.01 -0.02 -4.95 121.20 121.93 2hxy s ILE 239 Ca 0.02 -2.72 0.06 0.00 0.00 0.00 0.00 60.65 58.02 2hxy s ILE 239 Cb -0.13 -2.73 0.06 0.00 0.01 0.00 0.00 42.46 39.68 2hxy s ILE 239 CO 0.01 -0.68 0.52 0.18 0.00 0.00 0.00 174.94 174.97 2hxy n LEU 240 N 3.82 0.00 -0.11 2.97 4.77 -1.26 -1.52 117.00 125.66 2hxy n LEU 240 Ca 0.04 -2.17 -0.20 0.00 -0.03 0.00 0.00 56.01 53.65 2hxy n LEU 240 Cb 0.38 -0.22 -0.12 0.00 -2.33 0.00 0.00 43.42 41.14 2hxy n LEU 240 CO 0.27 -0.61 -1.28 0.52 -1.33 0.00 0.00 177.39 174.96 2hxy n VAL 241 N -1.83 1.53 -3.81 4.08 0.31 -1.26 -4.92 118.33 112.43 2hxy n VAL 241 Ca 0.07 -0.55 -0.33 0.00 -0.01 0.00 0.00 64.34 63.52 2hxy n VAL 241 Cb 0.50 -1.52 -0.05 0.00 -0.91 0.00 0.00 33.84 31.86 2hxy n VAL 241 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2hxy s LYS 242 N -2.52 3.52 0.03 5.55 1.02 -1.26 -5.04 119.74 121.04 2hxy s LYS 242 Ca -0.34 -0.21 -0.31 0.00 0.02 0.00 0.00 55.97 55.13 2hxy s LYS 242 Cb 0.09 -3.03 -0.10 0.00 -0.52 0.00 0.00 37.83 34.27 2hxy s LYS 242 CO 0.61 0.61 1.95 -2.13 -0.92 0.00 0.00 175.35 175.47 2hxy n ARG 243 N 0.71 2.75 -4.29 1.68 0.63 -1.26 -4.98 116.66 111.91 2hxy n ARG 243 Ca -0.08 1.01 -0.34 0.00 -0.92 0.00 0.00 57.85 57.51 2hxy n ARG 243 Cb 0.52 -2.94 -0.10 0.00 0.45 0.00 0.00 32.46 30.39 2hxy n ARG 243 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2hxy s ASP 244 N 4.22 5.18 0.06 6.15 2.15 -1.26 -5.12 116.67 128.04 2hxy s ASP 244 Ca 0.89 0.03 0.05 0.00 0.43 0.00 0.00 52.55 53.95 2hxy s ASP 244 Cb -0.48 -1.72 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2hxy s ASP 244 CO 0.43 0.25 -0.15 -1.83 -0.17 0.00 0.00 175.17 173.70 2hxy s GLU 245 N -0.10 0.90 0.34 4.34 -1.05 -1.26 -5.07 118.70 116.79 2hxy s GLU 245 Ca 0.04 -0.87 -0.28 0.00 -0.15 0.00 0.00 54.97 53.71 2hxy s GLU 245 Cb -0.13 -0.93 -0.12 0.00 -0.44 0.00 0.00 34.13 32.51 2hxy s GLU 245 CO 0.02 0.22 1.25 1.28 0.95 0.00 0.00 175.26 178.97 2hxy n LEU 246 N 1.58 3.31 -3.64 1.83 4.32 -1.25 -4.55 117.00 118.60 2hxy n LEU 246 Ca -0.19 1.20 -0.09 0.00 -0.02 0.00 0.00 56.01 56.91 2hxy n LEU 246 Cb 0.54 -1.46 -0.07 0.00 -1.62 0.00 0.00 43.42 40.82 2hxy n LEU 246 CO 0.22 -0.63 0.41 0.42 -1.22 0.00 0.00 177.39 176.59 2hxy s THR 247 N -1.10 0.00 -0.51 -5.08 -4.23 -0.73 -4.89 115.64 99.11 2hxy s THR 247 Ca 0.56 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.10 2hxy s THR 247 Cb -0.58 -1.00 0.22 0.00 1.34 0.00 0.00 72.50 72.47 2hxy s THR 247 CO 0.62 0.00 1.03 0.00 -0.54 0.00 0.00 174.62 175.73 2hxy n LEU 248 N 3.73 3.09 -4.75 4.79 -0.00 -1.26 -3.04 117.00 119.56 2hxy n LEU 248 Ca -0.18 -1.58 -0.41 0.00 -0.00 0.00 0.00 56.01 53.84 2hxy n LEU 248 Cb 0.58 -0.57 -0.02 0.00 -0.00 0.00 0.00 43.42 43.41 2hxy n LEU 248 CO -0.00 0.49 1.14 -0.70 -0.00 0.00 0.00 177.39 178.31 2hxy s GLU 249 N -1.27 4.22 0.00 1.47 -6.30 -1.26 -2.01 118.70 113.54 2hxy s GLU 249 Ca 0.16 2.40 0.00 0.00 -2.50 0.00 0.00 54.97 55.03 2hxy s GLU 249 Cb 0.13 -3.07 0.00 0.00 0.00 0.00 0.00 34.13 31.19 2hxy s GLU 249 CO 0.04 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.26 2hxy n GLY 250 N 1.87 1.88 3.71 -1.50 0.00 -1.26 -4.89 105.19 105.00 2hxy n GLY 250 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2hxy n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hxy s ILE 251 N -2.36 5.33 -0.24 -0.61 1.01 -0.85 -3.78 121.20 119.69 2hxy s ILE 251 Ca 0.00 0.40 -0.27 0.00 0.00 0.00 0.00 60.65 60.78 2hxy s ILE 251 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.90 2hxy s ILE 251 CO 0.00 0.38 0.97 -0.54 0.00 0.00 0.00 174.94 175.75 2hxy s LYS 252 N 0.64 4.22 -0.11 2.79 -0.14 -0.90 -4.97 119.74 121.26 2hxy s LYS 252 Ca 0.13 1.19 0.00 0.00 -1.36 0.00 0.00 55.97 55.92 2hxy s LYS 252 Cb -0.13 -3.65 -0.02 0.00 -1.68 0.00 0.00 37.83 32.35 2hxy s LYS 252 CO 0.03 -0.61 -0.11 -0.65 -0.76 0.00 0.00 175.35 173.25 2hxy s GLN 253 N 3.10 3.18 0.21 1.68 -0.21 -1.26 -0.88 119.66 125.48 2hxy s GLN 253 Ca 0.41 -0.64 -0.00 0.00 0.02 0.00 0.00 55.36 55.15 2hxy s GLN 253 Cb -0.15 -2.63 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 2hxy s GLN 253 CO 0.07 0.36 0.13 -0.06 -2.12 0.00 0.00 175.29 173.67 2hxy s PHE 254 N -0.02 1.24 -0.03 0.91 2.99 -0.61 -2.88 117.98 119.59 2hxy s PHE 254 Ca -0.02 -1.35 -0.04 0.00 0.00 0.00 0.00 56.93 55.51 2hxy s PHE 254 Cb -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 43.02 42.26 2hxy s PHE 254 CO 0.04 -0.59 0.11 -0.59 -0.00 0.00 0.00 175.22 174.18 2hxy s PHE 255 N -4.07 -0.05 -0.27 0.36 -0.12 -0.60 0.15 117.98 113.37 2hxy s PHE 255 Ca 0.39 0.13 -0.05 0.00 -0.05 0.00 0.00 56.93 57.35 2hxy s PHE 255 Cb 0.07 0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2hxy s PHE 255 CO 0.13 -0.12 0.02 0.08 -0.05 0.00 0.00 175.22 175.28 2hxy s VAL 256 N -0.40 3.56 -1.16 -2.49 1.01 0.35 -2.81 120.40 118.47 2hxy s VAL 256 Ca -0.05 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 2hxy s VAL 256 Cb -0.03 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 2hxy s VAL 256 CO 0.00 0.15 1.91 0.00 0.00 0.00 0.00 175.10 177.16 2hxy n ALA 257 N 4.80 2.45 -1.12 5.51 0.00 -1.26 -3.15 120.51 127.73 2hxy n ALA 257 Ca -0.15 -3.24 -0.07 0.00 0.00 0.00 0.00 53.44 49.98 2hxy n ALA 257 Cb 0.48 -3.53 0.08 0.00 0.00 0.00 0.00 19.45 16.48 2hxy n ALA 257 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2hxy n VAL 258 N 7.21 0.00 0.00 0.00 0.24 -1.07 -5.02 118.33 119.69 2hxy n VAL 258 Ca 0.47 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.54 2hxy n VAL 258 Cb 0.45 -1.34 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 2hxy n VAL 258 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hxy n GLU 259 N -2.42 0.00 -4.28 7.34 1.02 -1.26 -4.34 120.64 116.70 2hxy n GLU 259 Ca 0.05 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.04 2hxy n GLU 259 Cb 0.20 -0.46 -0.10 0.00 -0.02 0.00 0.00 31.44 31.06 2hxy n GLU 259 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2hxy s ARG 260 N -2.00 1.20 0.25 3.49 1.70 -1.26 -2.63 118.95 119.69 2hxy s ARG 260 Ca 0.00 -1.57 -0.03 0.00 -0.47 0.00 0.00 55.73 53.66 2hxy s ARG 260 Cb 0.00 -0.53 0.46 0.00 -0.57 0.00 0.00 34.95 34.31 2hxy s ARG 260 CO 0.00 -0.05 1.77 0.93 -1.08 0.00 0.00 175.30 176.87 2hxy h GLU 261 N 2.62 0.61 0.00 3.89 4.39 -2.01 -2.31 114.58 121.77 2hxy h GLU 261 Ca -0.37 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2hxy h GLU 261 Cb 1.21 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2hxy h GLU 261 CO 0.64 0.40 0.00 0.93 -1.16 0.00 0.00 179.01 179.82 2hxy h GLU 262 N 0.62 0.00 0.00 2.33 3.07 -2.04 0.62 114.58 119.19 2hxy h GLU 262 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 2hxy h GLU 262 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2hxy h GLU 262 CO -0.33 0.00 -0.53 -1.49 -1.40 0.00 0.00 179.01 175.27 2hxy h TRP 263 N 0.00 0.00 0.45 4.33 4.06 -1.85 -3.37 115.95 119.58 2hxy h TRP 263 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2hxy h TRP 263 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2hxy h TRP 263 CO 0.00 0.00 -0.30 0.87 -3.56 0.00 0.00 178.44 175.45 2hxy h LYS 264 N 0.00 -0.70 -0.43 0.49 1.57 -0.88 -2.89 116.57 113.73 2hxy h LYS 264 Ca 0.00 0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2hxy h LYS 264 Cb 0.76 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 2hxy h LYS 264 CO 0.00 -0.47 -0.33 0.35 -0.57 0.00 0.00 179.45 178.44 2hxy h PHE 265 N -0.73 -1.03 -0.68 -1.35 3.57 -1.72 0.12 116.94 115.13 2hxy h PHE 265 Ca -0.05 0.06 0.15 0.00 3.53 0.00 0.00 57.97 61.66 2hxy h PHE 265 Cb 0.61 0.51 -0.12 0.00 2.79 0.00 0.00 35.95 39.73 2hxy h PHE 265 CO -0.12 -0.24 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.24 2hxy h ASP 266 N -0.09 -0.40 -0.49 0.41 3.32 -1.78 0.41 116.42 117.80 2hxy h ASP 266 Ca 0.07 0.18 0.12 0.00 0.02 0.00 0.00 57.03 57.42 2hxy h ASP 266 Cb 0.27 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 2hxy h ASP 266 CO -0.45 -0.17 0.34 0.74 -1.72 0.00 0.00 179.24 177.98 2hxy h THR 267 N 0.08 0.81 0.27 0.35 2.02 -0.63 -0.16 112.91 115.65 2hxy h THR 267 Ca 0.36 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 2hxy h THR 267 Cb 0.59 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2hxy h THR 267 CO -0.62 0.02 -0.13 0.25 0.37 0.00 0.00 175.52 175.41 2hxy h LEU 268 N 0.13 -0.30 -0.14 2.58 5.85 0.16 -3.10 115.31 120.49 2hxy h LEU 268 Ca 0.23 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.77 2hxy h LEU 268 Cb 0.75 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 2hxy h LEU 268 CO -0.03 0.18 -0.52 0.00 -0.34 0.00 0.00 178.44 177.73 2hxy h ASP 270 N -0.57 -0.30 1.40 0.00 3.32 -1.14 1.81 116.42 120.94 2hxy h ASP 270 Ca 0.04 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.36 2hxy h ASP 270 Cb 0.68 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2hxy h ASP 270 CO -0.43 -0.36 -0.19 0.25 -1.72 0.00 0.00 179.24 176.79 2hxy h LEU 271 N 0.02 0.00 -2.00 1.55 5.85 -1.22 -3.38 115.31 116.13 2hxy h LEU 271 Ca 0.64 -0.05 0.34 0.00 0.84 0.00 0.00 57.88 59.65 2hxy h LEU 271 Cb 1.41 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 2hxy h LEU 271 CO -0.88 0.02 0.84 0.22 -0.34 0.00 0.00 178.44 178.31 2hxy h TYR 272 N 0.00 0.00 -0.15 1.25 3.20 0.44 -2.45 116.97 119.26 2hxy h TYR 272 Ca 0.00 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 2hxy h TYR 272 Cb 0.79 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.06 2hxy h TYR 272 CO 0.00 0.00 -0.17 -0.44 -1.64 0.00 0.00 178.16 175.91 2hxy h ASP 273 N 0.00 0.42 0.00 -2.11 3.32 -1.75 -2.09 116.42 114.21 2hxy h ASP 273 Ca 0.55 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2hxy h ASP 273 Cb 2.23 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.67 2hxy h ASP 273 CO -0.01 0.83 0.00 0.35 -1.72 0.00 0.00 179.24 178.69 2hxy n THR 274 N -4.51 0.00 0.00 0.35 -2.24 -0.94 -3.68 114.28 103.26 2hxy n THR 274 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2hxy n THR 274 Cb 0.39 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2hxy n THR 274 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hxy n LEU 275 N -0.78 0.13 0.13 3.22 0.00 -0.80 -3.95 117.00 114.94 2hxy n LEU 275 Ca 0.12 0.44 0.05 0.00 0.00 0.00 0.00 56.01 56.62 2hxy n LEU 275 Cb 0.05 -0.48 0.24 0.00 0.00 0.00 0.00 43.42 43.24 2hxy n LEU 275 CO 0.09 -0.48 0.73 0.35 0.00 0.00 0.00 177.39 178.08 2hxy n THR 276 N -1.97 0.64 -0.46 1.96 -2.24 -1.09 0.17 114.28 111.28 2hxy n THR 276 Ca 0.00 0.69 0.39 0.00 -2.27 0.00 0.00 64.05 62.86 2hxy n THR 276 Cb 0.00 -1.69 0.67 0.00 -2.10 0.00 0.00 70.33 67.21 2hxy n THR 276 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2hxy h ILE 277 N 0.00 0.04 -4.29 2.28 2.04 -1.68 -3.37 117.51 112.53 2hxy h ILE 277 Ca 0.00 -0.01 -0.46 0.00 1.00 0.00 0.00 64.86 65.39 2hxy h ILE 277 Cb 0.67 0.01 -0.13 0.00 -0.74 0.00 0.00 36.82 36.62 2hxy h ILE 277 CO 0.00 0.01 -0.51 0.28 0.00 0.00 0.00 178.15 177.92 2hxy s THR 278 N -5.28 0.16 0.37 -0.27 -1.32 0.13 -5.15 115.64 104.28 2hxy s THR 278 Ca -0.08 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.34 2hxy s THR 278 Cb 0.31 -2.47 0.09 0.00 -1.51 0.00 0.00 72.50 68.92 2hxy s THR 278 CO 0.82 0.00 0.43 0.00 -2.21 0.00 0.00 174.62 173.66 2hxy n GLN 279 N -0.65 -0.93 -3.60 7.08 6.02 -1.25 -4.85 117.38 119.20 2hxy n GLN 279 Ca 0.03 -0.67 -0.09 0.00 -0.01 0.00 0.00 57.00 56.26 2hxy n GLN 279 Cb 0.63 -0.51 -0.06 0.00 1.02 0.00 0.00 30.24 31.33 2hxy n GLN 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hxy s ALA 280 N -3.62 -1.98 -0.15 -1.58 0.00 -0.86 -4.53 121.76 109.05 2hxy s ALA 280 Ca 0.25 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.91 2hxy s ALA 280 Cb -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2hxy s ALA 280 CO 0.18 -0.27 -0.14 0.08 0.00 0.00 0.00 175.76 175.61 2hxy s VAL 281 N -0.71 2.84 -0.19 0.00 1.01 -0.79 -0.60 120.40 121.96 2hxy s VAL 281 Ca 0.01 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2hxy s VAL 281 Cb -0.02 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 2hxy s VAL 281 CO -0.02 0.52 -0.08 -0.63 0.00 0.00 0.00 175.10 174.88 2hxy s ILE 282 N 0.64 3.21 0.50 2.22 1.01 0.26 -0.47 121.20 128.58 2hxy s ILE 282 Ca -0.08 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2hxy s ILE 282 Cb -0.16 -2.42 0.11 0.00 0.01 0.00 0.00 42.46 40.00 2hxy s ILE 282 CO 0.03 0.47 0.69 0.49 0.00 0.00 0.00 174.94 176.61 2hxy n PHE 283 N 4.34 -3.49 -3.60 3.97 3.01 0.74 -1.09 117.46 121.34 2hxy n PHE 283 Ca -0.18 -0.91 -0.04 0.00 1.01 0.00 0.00 57.45 57.32 2hxy n PHE 283 Cb 0.51 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 2hxy n PHE 283 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hxy n ASN 285 N -0.25 0.01 -4.13 0.00 4.13 -1.26 -3.78 115.26 109.97 2hxy n ASN 285 Ca -0.04 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.09 2hxy n ASN 285 Cb 0.60 1.96 -0.11 0.00 -1.54 0.00 0.00 39.78 40.69 2hxy n ASN 285 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2hxy s THR 286 N -3.49 0.73 0.04 3.41 -4.23 -1.26 -4.89 115.64 105.95 2hxy s THR 286 Ca -0.08 -1.52 -0.16 0.00 -1.18 0.00 0.00 61.69 58.76 2hxy s THR 286 Cb 0.14 -1.18 -0.07 0.00 1.34 0.00 0.00 72.50 72.72 2hxy s THR 286 CO 0.91 -0.58 1.25 0.50 -0.54 0.00 0.00 174.62 176.16 2hxy h LYS 287 N 3.74 -0.41 -1.20 3.99 3.64 -1.98 -1.38 116.57 122.97 2hxy h LYS 287 Ca -0.36 0.03 0.35 0.00 -1.27 0.00 0.00 60.65 59.39 2hxy h LYS 287 Cb 1.19 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2hxy h LYS 287 CO 0.52 -0.27 0.95 0.07 -2.27 0.00 0.00 179.45 178.45 2hxy h ARG 288 N -0.42 0.00 0.00 1.90 0.11 -1.99 0.27 114.38 114.25 2hxy h ARG 288 Ca -0.02 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 2hxy h ARG 288 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2hxy h ARG 288 CO -0.05 0.00 -0.30 -0.22 0.10 0.00 0.00 179.97 179.50 2hxy h LYS 289 N 0.00 0.00 0.00 0.08 3.64 -1.69 -0.39 116.57 118.21 2hxy h LYS 289 Ca 0.57 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.94 2hxy h LYS 289 Cb 2.47 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 34.29 2hxy h LYS 289 CO -0.01 0.16 -0.10 0.28 -2.27 0.00 0.00 179.45 177.51 2hxy h VAL 290 N 0.00 0.37 -0.79 2.00 2.07 0.13 -2.49 116.25 117.54 2hxy h VAL 290 Ca -0.01 -1.30 0.14 0.00 0.82 0.00 0.00 66.70 66.35 2hxy h VAL 290 Cb 1.14 0.72 -0.14 0.00 -1.52 0.00 0.00 31.29 31.49 2hxy h VAL 290 CO 0.02 0.13 -0.31 0.44 0.02 0.00 0.00 177.57 177.86 2hxy h ASP 291 N -1.00 -1.13 0.57 0.57 3.45 -1.43 0.58 116.42 118.03 2hxy h ASP 291 Ca -0.01 0.26 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 2hxy h ASP 291 Cb 0.30 0.61 -0.02 0.00 -0.56 0.00 0.00 39.33 39.66 2hxy h ASP 291 CO -0.01 -0.29 -0.48 -0.25 -1.57 0.00 0.00 179.24 176.64 2hxy h TRP 292 N -0.06 -1.33 -0.89 4.55 7.01 -1.16 -1.34 115.95 122.72 2hxy h TRP 292 Ca 0.32 0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.50 2hxy h TRP 292 Cb 0.58 0.50 -0.11 0.00 -2.10 0.00 0.00 29.16 28.04 2hxy h TRP 292 CO -0.72 -0.67 0.45 1.25 -2.79 0.00 0.00 178.44 175.97 2hxy h LEU 293 N -1.03 0.49 0.26 0.65 5.85 -0.47 0.17 115.31 121.24 2hxy h LEU 293 Ca -0.07 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2hxy h LEU 293 Cb 0.87 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.95 2hxy h LEU 293 CO -0.01 0.14 -0.14 0.74 -0.34 0.00 0.00 178.44 178.83 2hxy h THR 294 N 0.56 0.00 -0.72 1.05 2.02 0.42 -0.32 112.91 115.92 2hxy h THR 294 Ca 0.52 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.84 2hxy h THR 294 Cb 0.85 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.12 2hxy h THR 294 CO -0.43 0.00 -0.18 -0.08 0.37 0.00 0.00 175.52 175.20 2hxy h GLU 295 N -0.37 -0.00 0.00 6.66 4.81 -0.78 0.41 114.58 125.31 2hxy h GLU 295 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2hxy h GLU 295 Cb 0.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 2hxy h GLU 295 CO 0.05 -0.00 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.09 2hxy h LYS 296 N -0.00 0.00 0.00 1.92 1.63 -0.57 0.69 116.57 120.23 2hxy h LYS 296 Ca 0.34 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.94 2hxy h LYS 296 Cb 0.53 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.12 2hxy h LYS 296 CO -0.74 0.02 -1.76 -1.33 -3.45 0.00 0.00 179.45 172.19 2hxy n MET 297 N -3.34 0.64 0.06 1.90 2.81 0.11 -4.08 117.12 115.22 2hxy n MET 297 Ca -0.02 0.11 -0.09 0.00 -1.81 0.00 0.00 57.70 55.89 2hxy n MET 297 Cb 0.13 -1.69 -0.13 0.00 -0.71 0.00 0.00 33.22 30.82 2hxy n MET 297 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hxy h ARG 298 N 0.00 0.05 0.00 0.03 3.08 0.28 -2.71 114.38 115.11 2hxy h ARG 298 Ca -0.24 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2hxy h ARG 298 Cb 1.69 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.77 2hxy h ARG 298 CO 0.04 1.00 0.00 -0.85 -1.07 0.00 0.00 179.97 179.09 2hxy n GLU 299 N -3.36 0.41 -0.17 0.04 0.28 0.15 -1.92 120.64 116.07 2hxy n GLU 299 Ca -0.03 0.06 0.07 0.00 -0.16 0.00 0.00 57.16 57.09 2hxy n GLU 299 Cb 0.97 -1.50 0.14 0.00 1.43 0.00 0.00 31.44 32.48 2hxy n GLU 299 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2hxy n ALA 300 N -1.21 2.38 -2.91 -1.84 0.00 -1.16 -5.04 120.51 110.72 2hxy n ALA 300 Ca 0.12 -1.93 -0.05 0.00 0.00 0.00 0.00 53.44 51.57 2hxy n ALA 300 Cb 0.15 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.21 2hxy n ALA 300 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2hxy n ASN 301 N -0.66 -7.53 -3.68 0.00 4.05 -0.81 -5.04 115.26 101.59 2hxy n ASN 301 Ca 0.13 0.90 -0.09 0.00 0.45 0.00 0.00 54.58 55.97 2hxy n ASN 301 Cb 0.58 -4.32 -0.10 0.00 1.23 0.00 0.00 39.78 37.17 2hxy n ASN 301 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2hxy s PHE 302 N -1.72 -0.72 -0.68 1.20 0.08 -1.03 -4.98 117.98 110.14 2hxy s PHE 302 Ca 0.09 1.45 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 2hxy s PHE 302 Cb -0.02 0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 42.74 2hxy s PHE 302 CO 0.64 -0.41 1.76 -0.08 -0.10 0.00 0.00 175.22 177.03 2hxy s THR 303 N 1.83 3.44 0.07 0.64 -1.32 -1.26 -4.50 115.64 114.54 2hxy s THR 303 Ca -0.07 0.15 0.03 0.00 -1.21 0.00 0.00 61.69 60.59 2hxy s THR 303 Cb -0.09 -4.15 -0.03 0.00 -1.51 0.00 0.00 72.50 66.71 2hxy s THR 303 CO -0.13 -1.11 -0.09 0.68 -2.21 0.00 0.00 174.62 171.75 2hxy s VAL 304 N 8.48 0.73 0.30 5.08 -7.23 -1.26 -3.57 120.40 122.93 2hxy s VAL 304 Ca 0.61 -1.40 0.10 0.00 -1.81 0.00 0.00 61.98 59.48 2hxy s VAL 304 Cb -0.11 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 2hxy s VAL 304 CO 0.16 -0.49 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.00 2hxy s SER 305 N -2.07 4.27 -0.24 4.85 0.01 -0.41 -5.02 113.70 115.09 2hxy s SER 305 Ca -0.01 -0.84 -0.26 0.00 1.31 0.00 0.00 55.95 56.15 2hxy s SER 305 Cb -0.06 -0.64 0.07 0.00 0.21 0.00 0.00 66.02 65.61 2hxy s SER 305 CO -0.00 -0.10 0.72 -0.94 0.41 0.00 0.00 173.24 173.33 2hxy s SER 306 N -3.67 -0.74 0.14 2.44 1.04 -1.26 -2.16 113.70 109.49 2hxy s SER 306 Ca 0.33 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.97 2hxy s SER 306 Cb -0.04 1.35 0.02 0.00 0.10 0.00 0.00 66.02 67.45 2hxy s SER 306 CO 0.19 -0.30 0.38 0.00 0.98 0.00 0.00 173.24 174.49 2hxy s MET 307 N 0.17 1.11 0.37 4.02 0.23 -0.97 -5.00 119.30 119.22 2hxy s MET 307 Ca -0.01 -0.83 -0.11 0.00 -1.03 0.00 0.00 55.69 53.71 2hxy s MET 307 Cb -0.04 0.45 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2hxy s MET 307 CO 0.02 -0.43 0.66 -3.38 -2.03 0.00 0.00 175.02 169.87 2hxy s HIS 308 N -3.84 0.49 0.58 3.16 -3.43 -1.26 -3.35 115.29 107.63 2hxy s HIS 308 Ca 0.06 -0.98 0.40 0.00 -0.80 0.00 0.00 55.06 53.73 2hxy s HIS 308 Cb 0.02 0.47 2.14 0.00 -1.43 0.00 0.00 32.58 33.78 2hxy s HIS 308 CO -0.09 -1.39 2.29 0.78 -2.00 0.00 0.00 174.74 174.34 2hxy h GLY 309 N 2.04 0.00 1.14 -1.38 0.00 -1.95 -2.92 103.07 100.01 2hxy h GLY 309 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2hxy h GLY 309 CO 0.39 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.15 2hxy n ASP 310 N -3.27 0.00 -4.91 0.19 8.00 -1.26 -4.90 116.55 110.40 2hxy n ASP 310 Ca -0.03 -0.76 -0.28 0.00 0.71 0.00 0.00 54.79 54.44 2hxy n ASP 310 Cb 0.11 -0.07 0.03 0.00 -0.02 0.00 0.00 41.12 41.17 2hxy n ASP 310 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2hxy s MET 311 N -2.14 2.98 -0.01 -1.24 -1.94 -1.11 -5.07 119.30 110.78 2hxy s MET 311 Ca 0.42 0.15 -0.27 0.00 -1.71 0.00 0.00 55.69 54.27 2hxy s MET 311 Cb 0.21 -2.21 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 2hxy s MET 311 CO 0.38 -0.73 0.87 -1.25 -0.01 0.00 0.00 175.02 174.28 2hxy s PRO 312 N -5.06 4.53 0.44 2.03 0.04 -1.26 -4.95 135.00 130.76 2hxy s PRO 312 Ca 0.54 1.22 0.36 0.00 0.04 0.00 0.00 61.00 63.16 2hxy s PRO 312 Cb -0.11 -3.44 1.44 0.00 0.04 0.00 0.00 34.50 32.43 2hxy s PRO 312 CO 0.47 0.04 1.41 0.94 0.04 0.00 0.00 177.00 179.90 2hxy n GLN 313 N 3.66 -0.02 -0.05 4.56 -0.06 -1.26 -1.16 117.38 123.05 2hxy n GLN 313 Ca 0.03 1.07 -0.11 0.00 -2.00 0.00 0.00 57.00 55.99 2hxy n GLN 313 Cb 0.51 -2.25 -0.10 0.00 -4.06 0.00 0.00 30.24 24.35 2hxy n GLN 313 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2hxy h LYS 314 N 0.00 -0.02 -0.36 3.69 3.64 -2.00 -3.25 116.57 118.28 2hxy h LYS 314 Ca 0.82 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 60.23 2hxy h LYS 314 Cb 2.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.71 2hxy h LYS 314 CO -0.26 0.70 0.24 1.49 -2.27 0.00 0.00 179.45 179.35 2hxy h GLU 315 N -0.97 0.35 0.00 1.90 4.81 -1.55 -0.52 114.58 118.61 2hxy h GLU 315 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2hxy h GLU 315 Cb 0.72 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2hxy h GLU 315 CO 0.00 0.23 0.00 0.54 -0.73 0.00 0.00 179.01 179.06 2hxy n ARG 316 N -4.49 0.00 0.29 1.92 5.12 -0.32 -0.78 116.66 118.41 2hxy n ARG 316 Ca 0.03 0.25 0.13 0.00 -1.93 0.00 0.00 57.85 56.34 2hxy n ARG 316 Cb 0.16 -0.90 0.69 0.00 -1.16 0.00 0.00 32.46 31.25 2hxy n ARG 316 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 2hxy h GLU 317 N 0.00 0.00 0.00 5.56 4.11 -1.56 0.87 114.58 123.56 2hxy h GLU 317 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 2hxy h GLU 317 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2hxy h GLU 317 CO 0.00 0.00 -0.54 1.03 0.07 0.00 0.00 179.01 179.57 2hxy h SER 318 N 0.00 0.00 0.13 3.06 0.87 0.27 -0.32 113.55 117.56 2hxy h SER 318 Ca 0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2hxy h SER 318 Cb 0.65 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.64 2hxy h SER 318 CO 0.00 0.54 -1.26 0.40 -0.53 0.00 0.00 176.83 175.98 2hxy h ILE 319 N 0.00 1.28 0.06 2.23 1.08 0.29 -3.21 117.51 119.24 2hxy h ILE 319 Ca -0.01 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.00 2hxy h ILE 319 Cb 0.97 2.70 -0.01 0.00 -3.07 0.00 0.00 36.82 37.41 2hxy h ILE 319 CO 0.07 0.75 -0.13 0.24 -0.69 0.00 0.00 178.15 178.40 2hxy h MET 320 N 0.28 -0.20 -0.55 2.37 2.86 -1.07 -0.91 114.93 117.71 2hxy h MET 320 Ca -0.19 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2hxy h MET 320 Cb 1.93 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 33.54 2hxy h MET 320 CO 0.24 -0.13 -0.19 1.63 1.06 0.00 0.00 176.91 179.52 2hxy n LYS 321 N -3.12 -0.10 0.00 1.72 5.02 -0.16 0.98 118.16 122.49 2hxy n LYS 321 Ca -0.02 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2hxy n LYS 321 Cb 0.10 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 2hxy n LYS 321 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2hxy n GLU 322 N -4.83 0.00 -0.09 1.97 1.02 -0.60 -1.34 120.64 116.77 2hxy n GLU 322 Ca 0.07 0.54 -0.06 0.00 -0.02 0.00 0.00 57.16 57.69 2hxy n GLU 322 Cb 0.24 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2hxy n GLU 322 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2hxy h PHE 323 N 0.00 -0.47 -1.06 -0.32 3.57 0.16 -1.10 116.94 117.72 2hxy h PHE 323 Ca 0.00 0.04 0.28 0.00 3.53 0.00 0.00 57.97 61.82 2hxy h PHE 323 Cb 0.00 0.26 -0.10 0.00 2.79 0.00 0.00 35.95 38.90 2hxy h PHE 323 CO -0.18 -0.26 0.67 -0.09 -2.23 0.00 0.00 178.31 176.22 2hxy h ARG 324 N -0.14 0.38 0.00 1.11 2.43 0.66 -2.55 114.38 116.27 2hxy h ARG 324 Ca 0.17 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2hxy h ARG 324 Cb 0.40 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2hxy h ARG 324 CO -0.42 0.25 0.00 0.45 -1.51 0.00 0.00 179.97 178.74 2hxy n SER 325 N -4.68 0.00 0.00 -3.80 2.88 -0.45 -4.93 113.62 102.65 2hxy n SER 325 Ca 0.27 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2hxy n SER 325 Cb 0.91 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 2hxy n SER 325 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hxy n GLY 326 N 0.14 0.00 0.31 0.46 0.00 -0.96 -5.01 105.19 100.13 2hxy n GLY 326 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2hxy n GLY 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hxy n ALA 327 N 0.00 0.46 -3.94 4.61 0.00 -1.13 -3.92 120.51 116.59 2hxy n ALA 327 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 53.44 54.10 2hxy n ALA 327 Cb 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 19.45 18.58 2hxy n ALA 327 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hxy s SER 328 N -5.00 2.69 0.00 0.00 1.04 -1.26 -5.00 113.70 106.17 2hxy s SER 328 Ca -0.12 -0.49 0.12 0.00 0.48 0.00 0.00 55.95 55.94 2hxy s SER 328 Cb 0.26 -1.20 0.56 0.00 0.10 0.00 0.00 66.02 65.75 2hxy s SER 328 CO 0.70 -0.03 1.34 0.54 0.98 0.00 0.00 173.24 176.77 2hxy n ARG 329 N 4.63 0.08 -3.79 4.02 5.12 -1.25 -4.72 116.66 120.75 2hxy n ARG 329 Ca -0.18 0.24 -0.13 0.00 -1.93 0.00 0.00 57.85 55.86 2hxy n ARG 329 Cb 0.50 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 30.18 2hxy n ARG 329 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2hxy s VAL 330 N -2.81 -0.01 -0.05 1.55 1.01 -1.23 -2.02 120.40 116.84 2hxy s VAL 330 Ca 0.08 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.12 2hxy s VAL 330 Cb 0.08 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.17 2hxy s VAL 330 CO 0.20 0.01 -0.11 -0.22 0.00 0.00 0.00 175.10 174.99 2hxy s LEU 331 N 0.37 1.62 -0.17 3.92 2.96 0.23 -1.28 118.68 126.33 2hxy s LEU 331 Ca -0.02 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 2hxy s LEU 331 Cb -0.04 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.91 2hxy s LEU 331 CO -0.02 0.03 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.35 2hxy s ILE 332 N 0.61 3.49 0.13 6.68 1.01 -0.92 0.93 121.20 133.13 2hxy s ILE 332 Ca -0.12 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 2hxy s ILE 332 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.81 2hxy s ILE 332 CO 0.03 0.47 0.36 -0.55 0.00 0.00 0.00 174.94 175.25 2hxy s SER 333 N 0.76 -0.14 0.28 3.58 0.15 -0.25 -2.30 113.70 115.79 2hxy s SER 333 Ca -0.03 -0.45 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 2hxy s SER 333 Cb -0.15 0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 2hxy s SER 333 CO 0.02 -0.85 0.59 0.42 1.20 0.00 0.00 173.24 174.62 2hxy s THR 334 N -3.84 4.94 -0.51 6.45 -4.23 -1.21 -1.88 115.64 115.37 2hxy s THR 334 Ca 0.05 0.33 -0.26 0.00 -1.18 0.00 0.00 61.69 60.63 2hxy s THR 334 Cb 0.02 -3.68 -0.07 0.00 1.34 0.00 0.00 72.50 70.11 2hxy s THR 334 CO -0.10 -0.25 2.38 -0.62 -0.54 0.00 0.00 174.62 175.50 2hxy s ASP 335 N -2.81 4.45 -0.17 3.99 -1.08 -1.25 -4.64 116.67 115.15 2hxy s ASP 335 Ca 0.47 1.01 -0.10 0.00 -0.52 0.00 0.00 52.55 53.40 2hxy s ASP 335 Cb -0.11 -2.50 -0.08 0.00 -1.46 0.00 0.00 42.92 38.77 2hxy s ASP 335 CO 0.26 -2.90 -0.25 0.55 0.52 0.00 0.00 175.17 173.35 2hxy n VAL 336 N 7.98 1.15 -1.21 1.11 3.14 -1.26 -5.01 118.33 124.23 2hxy n VAL 336 Ca 0.36 -0.17 -0.46 0.00 -2.96 0.00 0.00 64.34 61.11 2hxy n VAL 336 Cb 0.54 -1.85 -0.06 0.00 -1.06 0.00 0.00 33.84 31.42 2hxy n VAL 336 CO 0.00 0.00 0.00 0.79 -6.46 0.00 0.00 176.83 171.16 2hxy n TRP 337 N -3.94 0.32 0.00 1.45 8.01 -1.26 -4.95 117.44 117.06 2hxy n TRP 337 Ca -0.32 0.85 0.00 0.00 -1.31 0.00 0.00 57.50 56.72 2hxy n TRP 337 Cb 0.68 -1.69 0.00 0.00 -2.01 0.00 0.00 31.31 28.29 2hxy n TRP 337 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2hxy n ALA 338 N 0.96 -0.10 -0.60 6.99 0.00 -1.26 -4.81 120.51 121.69 2hxy n ALA 338 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 2hxy n ALA 338 Cb 0.10 0.00 0.23 0.00 0.00 0.00 0.00 19.45 19.78 2hxy n ALA 338 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2hxy s ARG 339 N -1.15 -0.41 -0.14 0.00 0.52 -1.26 -4.97 118.95 111.54 2hxy s ARG 339 Ca 0.00 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.10 2hxy s ARG 339 Cb 0.00 -1.60 -0.10 0.00 0.52 0.00 0.00 34.95 33.77 2hxy s ARG 339 CO 0.00 -3.43 0.17 0.78 0.02 0.00 0.00 175.30 172.83 2hxy h GLY 340 N -2.42 0.00 1.24 -3.53 0.00 -1.88 -3.37 103.07 93.11 2hxy h GLY 340 Ca -0.57 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.85 2hxy h GLY 340 CO 0.48 0.00 0.29 1.41 0.00 0.00 0.00 176.54 178.73 2hxy h LEU 341 N -1.00 0.00 -8.56 3.11 4.07 -1.93 -3.37 115.31 107.64 2hxy h LEU 341 Ca -0.06 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.38 2hxy h LEU 341 Cb 0.56 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 2hxy h LEU 341 CO -0.03 0.00 1.26 -1.81 -1.08 0.00 0.00 178.44 176.77 2hxy s ASP 342 N -5.80 5.64 0.17 -0.43 1.01 -1.26 -4.84 116.67 111.16 2hxy s ASP 342 Ca -0.05 0.40 -0.24 0.00 0.71 0.00 0.00 52.55 53.38 2hxy s ASP 342 Cb 0.16 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.61 2hxy s ASP 342 CO 0.59 -2.07 0.78 0.68 0.21 0.00 0.00 175.17 175.36 2hxy s VAL 343 N 7.75 0.00 -1.33 -1.27 -7.23 -1.26 -4.82 120.40 112.24 2hxy s VAL 343 Ca 0.63 -0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2hxy s VAL 343 Cb -0.13 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.21 2hxy s VAL 343 CO 0.23 0.00 0.80 -2.65 -0.31 0.00 0.00 175.10 173.17 2hxy n PRO 344 N -0.41 0.00 -4.00 4.82 -0.02 -1.26 -4.85 135.00 129.28 2hxy n PRO 344 Ca -0.08 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 2hxy n PRO 344 Cb 0.61 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.52 2hxy n PRO 344 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2hxy n GLN 345 N -1.30 -0.80 -3.75 -0.52 7.27 -1.26 -4.85 117.38 112.17 2hxy n GLN 345 Ca 0.00 0.04 -0.20 0.00 0.07 0.00 0.00 57.00 56.91 2hxy n GLN 345 Cb 0.01 -2.66 -0.02 0.00 2.41 0.00 0.00 30.24 29.97 2hxy n GLN 345 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2hxy s VAL 346 N -4.06 4.10 -2.00 1.69 0.11 -1.26 -4.85 120.40 114.14 2hxy s VAL 346 Ca 0.10 -1.18 0.02 0.00 -2.93 0.00 0.00 61.98 57.98 2hxy s VAL 346 Cb -0.06 -3.39 0.05 0.00 -1.53 0.00 0.00 36.38 31.45 2hxy s VAL 346 CO 0.82 -0.21 0.77 -1.54 -3.33 0.00 0.00 175.10 171.60 2hxy n SER 347 N -1.45 0.00 -3.20 3.54 3.41 -1.26 -4.61 113.62 110.04 2hxy n SER 347 Ca -0.03 -1.33 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 2hxy n SER 347 Cb 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2hxy n SER 347 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hxy s LEU 348 N -1.08 -1.26 0.08 1.04 2.96 -1.26 -3.09 118.68 116.07 2hxy s LEU 348 Ca 0.03 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.40 2hxy s LEU 348 Cb 0.01 1.83 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 2hxy s LEU 348 CO 0.02 -0.29 0.02 -0.63 -1.32 0.00 0.00 176.35 174.15 2hxy s ILE 349 N 2.76 4.14 -0.06 6.68 -1.09 -0.80 -1.89 121.20 130.94 2hxy s ILE 349 Ca 0.15 -0.90 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2hxy s ILE 349 Cb -0.13 -2.96 0.03 0.00 -1.58 0.00 0.00 42.46 37.82 2hxy s ILE 349 CO -0.23 0.15 0.04 -0.63 -1.23 0.00 0.00 174.94 173.05 2hxy s ILE 350 N -1.30 0.05 -0.98 2.92 1.01 0.38 -1.62 121.20 121.66 2hxy s ILE 350 Ca 0.26 0.26 -0.20 0.00 0.00 0.00 0.00 60.65 60.97 2hxy s ILE 350 Cb -0.12 -0.32 0.10 0.00 0.01 0.00 0.00 42.46 42.13 2hxy s ILE 350 CO 0.18 0.16 1.26 0.20 0.00 0.00 0.00 174.94 176.74 2hxy s ASN 351 N 2.10 6.60 0.42 3.58 0.01 0.29 -0.19 114.94 127.76 2hxy s ASN 351 Ca 0.05 -1.87 0.14 0.00 -0.71 0.00 0.00 52.86 50.47 2hxy s ASN 351 Cb -0.13 -2.46 1.01 0.00 0.41 0.00 0.00 41.25 40.08 2hxy s ASN 351 CO -0.04 -1.22 1.95 0.22 -1.51 0.00 0.00 177.10 176.50 2hxy h TYR 352 N 9.11 0.49 -3.98 2.20 3.20 -1.82 -2.07 116.97 124.09 2hxy h TYR 352 Ca 0.18 0.01 -0.39 0.00 3.14 0.00 0.00 58.73 61.68 2hxy h TYR 352 Cb 1.01 -0.16 -0.23 0.00 1.54 0.00 0.00 36.73 38.89 2hxy h TYR 352 CO 1.21 0.22 -0.77 -0.51 -1.64 0.00 0.00 178.16 176.66 2hxy s ASP 353 N -6.11 1.43 0.16 -2.11 -0.00 -1.26 -4.44 116.67 104.34 2hxy s ASP 353 Ca -0.08 -0.52 -0.14 0.00 -0.00 0.00 0.00 52.55 51.81 2hxy s ASP 353 Cb 0.20 -0.05 -0.07 0.00 -0.00 0.00 0.00 42.92 43.00 2hxy s ASP 353 CO 0.76 -0.06 0.57 -0.76 -0.00 0.00 0.00 175.17 175.68 2hxy s LEU 354 N -1.40 4.32 0.00 1.23 1.43 -1.26 -4.73 118.68 118.26 2hxy s LEU 354 Ca -0.02 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2hxy s LEU 354 Cb -0.09 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.80 2hxy s LEU 354 CO 0.01 0.08 0.04 -0.81 0.23 0.00 0.00 176.35 175.90 2hxy n PRO 355 N 0.69 -1.38 -2.99 1.29 -0.04 -1.26 -4.98 135.00 126.33 2hxy n PRO 355 Ca -0.04 -0.07 -0.17 0.00 -0.04 0.00 0.00 63.50 63.17 2hxy n PRO 355 Cb 0.52 -0.07 -0.01 0.00 -0.04 0.00 0.00 33.50 33.89 2hxy n PRO 355 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hxy n ASN 356 N -3.09 1.61 -3.15 3.54 3.02 -1.26 -4.92 115.26 111.01 2hxy n ASN 356 Ca 0.01 -3.05 0.06 0.00 -0.03 0.00 0.00 54.58 51.56 2hxy n ASN 356 Cb 0.02 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 2hxy n ASN 356 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2hxy s ASN 357 N -2.78 -0.29 0.00 6.41 3.84 -1.26 -5.00 114.94 115.86 2hxy s ASN 357 Ca 0.38 0.03 0.00 0.00 0.21 0.00 0.00 52.86 53.48 2hxy s ASN 357 Cb 0.37 1.18 0.00 0.00 -0.55 0.00 0.00 41.25 42.25 2hxy s ASN 357 CO -0.06 -0.05 0.25 0.54 -2.79 0.00 0.00 177.10 174.99 2hxy n ARG 358 N 5.06 0.00 -0.01 0.43 3.00 -1.26 -1.17 116.66 122.71 2hxy n ARG 358 Ca 0.10 0.00 0.13 0.00 -0.01 0.00 0.00 57.85 58.07 2hxy n ARG 358 Cb 0.58 -1.30 0.44 0.00 0.00 0.00 0.00 32.46 32.18 2hxy n ARG 358 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2hxy n GLU 359 N -0.72 1.79 -0.00 5.56 4.07 -1.26 -4.26 120.64 125.81 2hxy n GLU 359 Ca 0.00 -1.15 -0.00 0.00 -0.06 0.00 0.00 57.16 55.95 2hxy n GLU 359 Cb 0.00 -1.47 -0.00 0.00 -0.06 0.00 0.00 31.44 29.91 2hxy n GLU 359 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 2hxy n LEU 360 N 0.39 0.00 -0.43 4.31 -0.00 -0.32 -4.45 117.00 116.51 2hxy n LEU 360 Ca 0.18 0.00 0.36 0.00 -0.00 0.00 0.00 56.01 56.55 2hxy n LEU 360 Cb 0.39 0.01 0.61 0.00 -0.00 0.00 0.00 43.42 44.43 2hxy n LEU 360 CO 0.16 0.01 1.10 0.00 -0.00 0.00 0.00 177.39 178.66 2hxy n TYR 361 N -1.96 0.62 0.02 1.47 9.36 -1.25 0.21 117.16 125.62 2hxy n TYR 361 Ca -0.00 0.62 -0.18 0.00 3.32 0.00 0.00 57.90 61.66 2hxy n TYR 361 Cb 0.46 -1.05 -0.14 0.00 -0.63 0.00 0.00 39.34 37.98 2hxy n TYR 361 CO 0.00 0.00 0.00 0.97 0.22 0.00 0.00 176.86 178.05 2hxy h ILE 362 N 0.00 1.58 -0.03 2.97 -0.00 -1.83 -2.35 117.51 117.86 2hxy h ILE 362 Ca 0.79 -2.49 0.01 0.00 -0.00 0.00 0.00 64.86 63.17 2hxy h ILE 362 Cb 2.57 3.25 -0.00 0.00 -0.00 0.00 0.00 36.82 42.64 2hxy h ILE 362 CO -0.41 0.69 0.22 -0.74 -0.00 0.00 0.00 178.15 177.90 2hxy h HIS 363 N -0.54 0.00 0.00 2.19 2.76 0.23 0.69 115.15 120.48 2hxy h HIS 363 Ca -0.11 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 57.91 2hxy h HIS 363 Cb 1.47 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.40 2hxy h HIS 363 CO 0.22 0.00 -1.50 -2.13 -1.30 0.00 0.00 177.93 173.22 2hxy n ARG 364 N -3.04 0.63 0.00 5.26 0.63 0.36 -4.61 116.66 115.88 2hxy n ARG 364 Ca -0.02 0.16 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 2hxy n ARG 364 Cb 0.28 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.43 2hxy n ARG 364 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2hxy n ILE 365 N -2.80 0.01 -0.99 5.15 -5.35 -0.49 -5.06 119.36 109.83 2hxy n ILE 365 Ca -0.10 -0.07 -0.30 0.00 -0.27 0.00 0.00 62.75 62.01 2hxy n ILE 365 Cb 0.81 1.83 0.15 0.00 -1.74 0.00 0.00 39.64 40.69 2hxy n ILE 365 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2hxy s GLY 366 N -0.01 1.65 0.34 3.28 0.00 0.23 -4.94 107.32 107.87 2hxy s GLY 366 Ca 0.00 0.23 0.05 0.00 0.00 0.00 0.00 44.72 45.00 2hxy s GLY 366 CO 0.00 0.68 0.02 1.09 0.00 0.00 0.00 173.10 174.89 2hxy s ARG 367 N -4.78 1.72 0.60 2.90 1.70 -1.17 -4.86 118.95 115.06 2hxy s ARG 367 Ca 0.64 -1.95 0.35 0.00 -0.47 0.00 0.00 55.73 54.31 2hxy s ARG 367 Cb -0.20 -1.15 1.94 0.00 -0.57 0.00 0.00 34.95 34.97 2hxy s ARG 367 CO 0.58 -0.10 2.24 1.03 -1.08 0.00 0.00 175.30 177.96 2hxy h SER 368 N 2.04 0.00 0.00 -2.89 0.87 -1.84 -1.94 113.55 109.80 2hxy h SER 368 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2hxy h SER 368 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2hxy h SER 368 CO 0.72 0.03 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 2hxy n GLY 369 N -0.98 0.87 0.13 5.77 0.00 -1.26 -3.94 105.19 105.78 2hxy n GLY 369 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2hxy n GLY 369 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hxy n ARG 370 N 0.00 0.67 -0.03 1.61 0.63 -1.26 -4.63 116.66 113.66 2hxy n ARG 370 Ca 0.00 0.16 0.01 0.00 -0.92 0.00 0.00 57.85 57.09 2hxy n ARG 370 Cb 0.00 -1.56 0.02 0.00 0.45 0.00 0.00 32.46 31.37 2hxy n ARG 370 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2hxy n TYR 371 N -3.23 0.07 -3.92 -0.14 4.01 -1.25 -5.05 117.16 107.64 2hxy n TYR 371 Ca -0.41 -0.43 -0.31 0.00 -0.16 0.00 0.00 57.90 56.59 2hxy n TYR 371 Cb 1.02 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.97 2hxy n TYR 371 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2hxy s GLY 372 N -0.88 2.19 0.49 2.72 0.00 -1.26 -4.89 107.32 105.68 2hxy s GLY 372 Ca 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 44.72 43.72 2hxy s GLY 372 CO 0.03 -0.79 1.08 0.50 0.00 0.00 0.00 173.10 173.92 2hxy s ARG 373 N -2.40 3.72 0.50 2.90 0.52 -1.26 -4.63 118.95 118.30 2hxy s ARG 373 Ca 0.33 1.51 -0.19 0.00 -0.52 0.00 0.00 55.73 56.86 2hxy s ARG 373 Cb -0.13 -2.18 -0.08 0.00 0.52 0.00 0.00 34.95 33.08 2hxy s ARG 373 CO 0.26 -0.52 1.03 0.15 0.02 0.00 0.00 175.30 176.23 2hxy s LYS 374 N -3.07 3.79 0.00 3.54 1.02 -1.26 -4.90 119.74 118.86 2hxy s LYS 374 Ca 0.67 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.94 2hxy s LYS 374 Cb -0.21 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2hxy s LYS 374 CO 0.25 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 2hxy n GLY 375 N -0.51 3.72 3.00 -3.33 0.00 -1.25 -4.85 105.19 101.97 2hxy n GLY 375 Ca 0.09 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 2hxy n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hxy s VAL 376 N -2.19 0.02 0.03 1.61 1.01 -1.18 -2.13 120.40 117.57 2hxy s VAL 376 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.81 2hxy s VAL 376 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 2hxy s VAL 376 CO 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 175.10 174.90 2hxy s ALA 377 N -0.33 0.75 -0.08 5.51 0.00 -0.06 -1.90 121.76 125.66 2hxy s ALA 377 Ca -0.04 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.33 2hxy s ALA 377 Cb -0.03 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.01 2hxy s ALA 377 CO 0.00 0.11 -0.15 0.42 0.00 0.00 0.00 175.76 176.14 2hxy s ILE 378 N -0.79 1.39 -0.28 0.00 1.01 -0.64 -1.57 121.20 120.32 2hxy s ILE 378 Ca -0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2hxy s ILE 378 Cb -0.07 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2hxy s ILE 378 CO 0.00 0.41 0.13 0.20 0.00 0.00 0.00 174.94 175.69 2hxy s ASN 379 N 0.60 5.52 -1.25 3.58 0.01 0.39 -0.55 114.94 123.25 2hxy s ASN 379 Ca -0.15 -0.30 -0.16 0.00 -0.71 0.00 0.00 52.86 51.54 2hxy s ASN 379 Cb -0.16 -2.00 0.11 0.00 0.41 0.00 0.00 41.25 39.61 2hxy s ASN 379 CO 0.05 -0.11 1.59 -0.36 -1.51 0.00 0.00 177.10 176.76 2hxy s PHE 380 N 1.65 3.09 -0.16 2.20 0.08 -0.78 -0.50 117.98 123.56 2hxy s PHE 380 Ca 0.06 -1.82 -0.14 0.00 0.12 0.00 0.00 56.93 55.15 2hxy s PHE 380 Cb -0.16 -4.56 -0.05 0.00 -0.57 0.00 0.00 43.02 37.68 2hxy s PHE 380 CO 0.06 -1.63 0.31 0.14 -0.10 0.00 0.00 175.22 174.00 2hxy s VAL 381 N 3.09 5.30 0.39 -0.44 -7.23 -1.19 -4.62 120.40 115.70 2hxy s VAL 381 Ca 0.49 0.57 0.08 0.00 -1.81 0.00 0.00 61.98 61.30 2hxy s VAL 381 Cb 0.01 -3.65 -0.00 0.00 0.56 0.00 0.00 36.38 33.30 2hxy s VAL 381 CO 0.04 0.38 0.51 -1.59 -0.31 0.00 0.00 175.10 174.13 2hxy s LYS 382 N 0.51 2.89 0.30 4.82 -2.85 -1.26 -2.59 119.74 121.56 2hxy s LYS 382 Ca 0.17 -1.20 0.05 0.00 -1.00 0.00 0.00 55.97 53.99 2hxy s LYS 382 Cb -0.13 -2.73 0.75 0.00 -2.06 0.00 0.00 37.83 33.66 2hxy s LYS 382 CO 0.04 -0.14 1.71 -0.91 0.10 0.00 0.00 175.35 176.15 2hxy h ASN 383 N 0.78 0.42 -0.36 0.03 2.35 -1.70 0.37 115.58 117.47 2hxy h ASN 383 Ca -0.42 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.45 2hxy h ASN 383 Cb 1.27 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 2hxy h ASN 383 CO 0.49 0.04 0.15 0.44 -1.65 0.00 0.00 177.43 176.89 2hxy h ASP 384 N 0.45 0.54 -0.46 5.81 3.32 -1.95 -2.55 116.42 121.60 2hxy h ASP 384 Ca 0.57 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.56 2hxy h ASP 384 Cb 1.08 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2hxy h ASP 384 CO -0.51 0.51 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 2hxy n ASP 385 N -4.36 3.06 0.15 6.45 8.00 0.11 -4.07 116.55 125.89 2hxy n ASP 385 Ca 0.03 -1.95 0.13 0.00 0.71 0.00 0.00 54.79 53.71 2hxy n ASP 385 Cb 0.16 -0.30 0.47 0.00 -0.02 0.00 0.00 41.12 41.43 2hxy n ASP 385 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2hxy h ILE 386 N 3.65 0.00 0.09 0.53 6.09 -0.43 -3.09 117.51 124.36 2hxy h ILE 386 Ca 0.00 -0.41 -0.13 0.00 -1.37 0.00 0.00 64.86 62.94 2hxy h ILE 386 Cb 0.82 1.29 0.02 0.00 0.47 0.00 0.00 36.82 39.41 2hxy h ILE 386 CO 0.00 0.00 -0.58 -0.09 -3.07 0.00 0.00 178.15 174.41 2hxy h ARG 387 N 0.00 0.23 -0.85 2.19 2.43 -1.75 -3.30 114.38 113.32 2hxy h ARG 387 Ca 0.00 -0.37 0.10 0.00 -0.81 0.00 0.00 59.98 58.90 2hxy h ARG 387 Cb 0.55 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 2hxy h ARG 387 CO 0.00 1.17 0.49 0.82 -1.51 0.00 0.00 179.97 180.94 2hxy h ILE 388 N -0.51 0.89 -0.92 1.20 2.04 -1.81 -1.04 117.51 117.36 2hxy h ILE 388 Ca -0.10 -0.27 0.26 0.00 1.00 0.00 0.00 64.86 65.75 2hxy h ILE 388 Cb 1.45 0.02 -0.15 0.00 -0.74 0.00 0.00 36.82 37.39 2hxy h ILE 388 CO 0.11 0.15 0.23 0.25 0.00 0.00 0.00 178.15 178.89 2hxy h LEU 389 N 0.80 -0.05 0.27 1.44 5.85 -1.62 -0.09 115.31 121.91 2hxy h LEU 389 Ca 0.42 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 59.35 2hxy h LEU 389 Cb 0.42 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2hxy h LEU 389 CO -0.26 -0.22 -0.21 0.03 -0.34 0.00 0.00 178.44 177.43 2hxy h ARG 390 N 0.15 -0.45 -1.31 1.25 2.47 -1.31 -0.39 114.38 114.80 2hxy h ARG 390 Ca 0.60 0.03 0.42 0.00 -1.26 0.00 0.00 59.98 59.77 2hxy h ARG 390 Cb 1.26 0.10 -0.12 0.00 -1.65 0.00 0.00 29.97 29.56 2hxy h ARG 390 CO -0.72 -0.30 0.84 -0.44 0.56 0.00 0.00 179.97 179.92 2hxy h ASP 391 N -0.46 0.25 -0.05 7.04 3.32 -1.11 0.97 116.42 126.37 2hxy h ASP 391 Ca -0.04 0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2hxy h ASP 391 Cb 0.38 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2hxy h ASP 391 CO 0.01 -0.16 -0.13 0.40 -1.72 0.00 0.00 179.24 177.64 2hxy h ILE 392 N 0.11 1.44 0.75 0.35 2.04 -0.72 0.60 117.51 122.08 2hxy h ILE 392 Ca 0.80 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 2hxy h ILE 392 Cb 2.50 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 40.87 2hxy h ILE 392 CO -0.40 0.41 -0.42 -0.08 0.00 0.00 0.00 178.15 177.66 2hxy h GLU 393 N -0.34 -1.04 -0.80 2.37 4.81 0.18 -1.73 114.58 118.03 2hxy h GLU 393 Ca -0.00 0.07 0.18 0.00 -0.13 0.00 0.00 59.36 59.47 2hxy h GLU 393 Cb 0.73 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 30.21 2hxy h GLU 393 CO 0.03 -0.70 -0.10 1.96 -0.73 0.00 0.00 179.01 179.48 2hxy h GLN 394 N -1.08 0.04 0.01 1.92 1.08 0.62 0.17 115.11 117.86 2hxy h GLN 394 Ca -0.10 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2hxy h GLN 394 Cb 0.85 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2hxy h GLN 394 CO 0.13 0.03 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.10 2hxy h TYR 395 N 0.04 -0.03 0.00 2.96 3.20 0.64 -2.86 116.97 120.91 2hxy h TYR 395 Ca 0.41 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2hxy h TYR 395 Cb 0.70 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2hxy h TYR 395 CO -0.53 -0.01 0.00 0.66 -1.64 0.00 0.00 178.16 176.63 2hxy n TYR 396 N -2.42 0.00 -3.60 -3.82 4.02 -0.69 -4.90 117.16 105.75 2hxy n TYR 396 Ca -0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.69 2hxy n TYR 396 Cb 0.01 -0.01 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 2hxy n TYR 396 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2hxy n SER 397 N -1.01 -1.65 -4.05 7.72 7.64 0.57 -5.01 113.62 117.81 2hxy n SER 397 Ca 0.22 -0.74 -0.21 0.00 1.01 0.00 0.00 58.87 59.15 2hxy n SER 397 Cb 0.11 -4.47 -0.09 0.00 -1.01 0.00 0.00 64.21 58.74 2hxy n SER 397 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2hxy s THR 398 N -3.54 0.49 0.16 0.44 -1.32 -1.16 -5.05 115.64 105.66 2hxy s THR 398 Ca 0.03 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.59 2hxy s THR 398 Cb -0.01 -2.50 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 2hxy s THR 398 CO 0.78 0.00 -0.09 -1.58 -2.21 0.00 0.00 174.62 171.52 2hxy s GLN 399 N -3.79 2.11 -0.04 7.08 0.74 -1.26 -4.63 119.66 119.88 2hxy s GLN 399 Ca 0.33 -1.19 0.01 0.00 0.05 0.00 0.00 55.36 54.56 2hxy s GLN 399 Cb 0.05 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 31.96 2hxy s GLN 399 CO 0.17 0.46 -0.03 0.42 -0.55 0.00 0.00 175.29 175.75 2hxy s ILE 400 N -1.57 0.40 0.41 -2.34 1.01 -1.26 -4.64 121.20 113.21 2hxy s ILE 400 Ca 0.24 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.91 2hxy s ILE 400 Cb -0.09 -0.45 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 2hxy s ILE 400 CO 0.15 0.19 0.22 -1.81 0.00 0.00 0.00 174.94 173.69 2hxy s ASP 401 N 0.88 4.54 0.68 3.58 1.01 -1.14 -4.93 116.67 121.29 2hxy s ASP 401 Ca -0.11 -1.02 -0.11 0.00 0.71 0.00 0.00 52.55 52.02 2hxy s ASP 401 Cb -0.14 -0.49 0.00 0.00 1.01 0.00 0.00 42.92 43.31 2hxy s ASP 401 CO -0.00 -0.57 1.07 -0.70 0.21 0.00 0.00 175.17 175.18 2hxy s GLU 402 N -3.95 2.99 -0.49 8.23 2.12 -1.26 -1.56 118.70 124.77 2hxy s GLU 402 Ca 0.42 0.48 -0.28 0.00 0.36 0.00 0.00 54.97 55.95 2hxy s GLU 402 Cb 0.03 -2.05 0.02 0.00 0.26 0.00 0.00 34.13 32.38 2hxy s GLU 402 CO 0.24 -0.93 1.34 -1.64 -0.54 0.00 0.00 175.26 173.72 2hxy s MET 403 N -5.30 3.50 0.33 4.30 -1.94 -1.12 -4.79 119.30 114.27 2hxy s MET 403 Ca 0.57 0.63 -0.27 0.00 -1.71 0.00 0.00 55.69 54.91 2hxy s MET 403 Cb -0.11 -4.04 -0.09 0.00 2.01 0.00 0.00 34.83 32.60 2hxy s MET 403 CO 0.52 -1.67 1.08 -2.14 -0.01 0.00 0.00 175.02 172.79 2hxy s PRO 404 N 5.04 4.44 0.48 2.03 0.02 -1.26 -4.85 135.00 140.90 2hxy s PRO 404 Ca 0.54 1.68 0.15 0.00 0.02 0.00 0.00 61.00 63.39 2hxy s PRO 404 Cb -0.11 -2.92 0.83 0.00 0.02 0.00 0.00 34.50 32.32 2hxy s PRO 404 CO 0.29 0.07 1.39 0.52 -0.33 0.00 0.00 177.00 178.94 2hxy h MET 405 N 3.27 0.00 -5.50 5.54 2.86 -2.06 -3.39 114.93 115.65 2hxy h MET 405 Ca -0.47 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.01 2hxy h MET 405 Cb 1.21 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.85 2hxy h MET 405 CO 0.65 0.00 0.42 -0.80 1.06 0.00 0.00 176.91 178.24 2hxy s ASN 406 N -3.58 4.49 0.00 1.22 0.01 -1.26 -4.69 114.94 111.13 2hxy s ASN 406 Ca -0.02 -0.50 0.26 0.00 -0.71 0.00 0.00 52.86 51.88 2hxy s ASN 406 Cb 0.04 -2.56 1.41 0.00 0.41 0.00 0.00 41.25 40.55 2hxy s ASN 406 CO 0.14 -3.40 1.88 1.33 -1.51 0.00 0.00 177.10 175.54 2hxy n VAL 407 N 8.33 0.10 1.80 1.60 0.24 -1.26 -3.17 118.33 125.97 2hxy n VAL 407 Ca 0.43 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.90 2hxy n VAL 407 Cb 0.45 -0.61 0.86 0.00 -1.47 0.00 0.00 33.84 33.07 2hxy n VAL 407 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hxy n ALA 408 N -1.14 2.58 0.87 2.33 0.00 -1.26 -2.63 120.51 121.25 2hxy n ALA 408 Ca 0.16 -0.18 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2hxy n ALA 408 Cb 0.14 -1.47 0.33 0.00 0.00 0.00 0.00 19.45 18.45 2hxy n ALA 408 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hxy n ASP 409 N -1.02 0.46 0.07 0.00 8.00 -1.19 -2.90 116.55 119.97 2hxy n ASP 409 Ca 0.21 0.07 0.11 0.00 0.71 0.00 0.00 54.79 55.89 2hxy n ASP 409 Cb 0.11 -0.02 0.44 0.00 -0.02 0.00 0.00 41.12 41.63 2hxy n ASP 409 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2hxy n LEU 410 N -1.71 0.38 0.33 0.64 0.00 -1.08 -3.70 117.00 111.86 2hxy n LEU 410 Ca 0.05 0.58 0.01 0.00 0.00 0.00 0.00 56.01 56.65 2hxy n LEU 410 Cb 0.37 -0.50 0.06 0.00 0.00 0.00 0.00 43.42 43.35 2hxy n LEU 410 CO 0.33 -0.33 1.01 0.40 0.00 0.00 0.00 177.39 178.80 2hxy h ILE 411 N 0.00 0.00 -2.96 1.96 2.04 -1.74 -3.41 117.51 113.40 2hxy h ILE 411 Ca 0.00 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.31 2hxy h ILE 411 Cb 0.40 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 2hxy h ILE 411 CO 0.00 0.00 0.81 -1.48 0.00 0.00 0.00 178.15 177.48 2hxy s LEU 412 N -5.05 4.28 0.00 1.44 0.05 -1.24 -5.20 118.68 112.96 2hxy s LEU 412 Ca -0.00 1.94 0.00 0.00 0.05 0.00 0.00 54.13 56.12 2hxy s LEU 412 Cb 0.01 -3.55 0.00 0.00 -2.05 0.00 0.00 46.19 40.59 2hxy s LEU 412 CO 0.02 -0.68 0.00 -0.62 -0.55 0.00 0.00 176.35 174.52