#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hku s TRP 5 N 0.00 3.45 0.00 1.57 1.48 -1.26 -4.88 118.94 119.30 3hku s TRP 5 Ca 0.00 1.15 0.00 0.00 -1.06 0.00 0.00 56.10 56.19 3hku s TRP 5 Cb 0.00 -2.52 0.00 0.00 -1.16 0.00 0.00 33.47 29.79 3hku s TRP 5 CO 0.00 -0.10 0.00 0.41 -4.06 0.00 0.00 176.95 173.20 3hku n GLY 6 N -1.14 3.30 0.00 3.67 0.00 -0.50 -5.02 105.19 105.49 3hku n GLY 6 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3hku n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hku n TYR 7 N 0.00 0.00 -1.74 1.61 4.01 -1.26 -3.73 117.16 116.05 3hku n TYR 7 Ca 0.00 -0.11 -0.30 0.00 -0.16 0.00 0.00 57.90 57.34 3hku n TYR 7 Cb 0.00 -0.01 0.17 0.00 -0.31 0.00 0.00 39.34 39.19 3hku n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hku s GLY 8 N -0.21 1.69 0.39 2.72 0.00 -1.26 -4.64 107.32 106.01 3hku s GLY 8 Ca 0.00 -0.96 0.09 0.00 0.00 0.00 0.00 44.72 43.85 3hku s GLY 8 CO 0.00 -0.26 1.98 1.70 0.00 0.00 0.00 173.10 176.52 3hku h LYS 9 N -1.66 0.58 -0.00 2.90 3.11 -1.97 0.83 116.57 120.36 3hku h LYS 9 Ca -0.46 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3hku h LYS 9 Cb 1.28 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 3hku h LYS 9 CO 0.46 0.39 -0.75 0.72 -2.81 0.00 0.00 179.45 177.46 3hku n HIS 10 N -4.48 0.00 -0.96 1.91 8.25 -1.26 -4.40 115.22 114.28 3hku n HIS 10 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3hku n HIS 10 Cb 0.27 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.31 3hku n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3hku n ASN 11 N -1.23 0.07 -2.07 0.41 6.94 -1.11 -4.96 115.26 113.30 3hku n ASN 11 Ca 0.06 -1.04 -0.01 0.00 -0.02 0.00 0.00 54.58 53.57 3hku n ASN 11 Cb 0.35 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.78 3hku n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hku n GLY 12 N -0.02 -0.46 0.43 4.83 0.00 0.27 -1.41 105.19 108.84 3hku n GLY 12 Ca 0.00 -1.77 0.29 0.00 0.00 0.00 0.00 46.02 44.54 3hku n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hku h PRO 13 N 0.00 0.23 0.00 1.61 0.11 -1.84 0.25 132.00 132.37 3hku h PRO 13 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hku h PRO 13 Cb 0.04 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.10 3hku h PRO 13 CO 0.01 0.16 0.00 0.93 -0.21 0.00 0.00 178.00 178.89 3hku h GLU 14 N 0.24 0.00 0.00 1.05 3.07 -1.93 -3.05 114.58 113.96 3hku h GLU 14 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 3hku h GLU 14 Cb 2.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.92 3hku h GLU 14 CO -0.35 0.00 -1.74 0.72 -1.40 0.00 0.00 179.01 176.23 3hku n HIS 15 N -2.98 0.00 0.17 4.33 8.25 0.88 -4.64 115.22 121.23 3hku n HIS 15 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 3hku n HIS 15 Cb 0.19 -0.38 0.60 0.00 1.12 0.00 0.00 29.99 31.53 3hku n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3hku h TRP 16 N 0.00 0.11 0.00 4.41 6.55 -1.42 -2.60 115.95 123.00 3hku h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3hku h TRP 16 Cb 0.85 -0.04 -0.00 0.00 -0.86 0.00 0.00 29.16 29.11 3hku h TRP 16 CO 0.00 0.07 -0.06 1.12 -1.05 0.00 0.00 178.44 178.52 3hku h HIS 17 N 0.12 0.00 -0.13 0.49 2.07 -1.80 -0.57 115.15 115.33 3hku h HIS 17 Ca 0.07 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.58 3hku h HIS 17 Cb 0.12 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 3hku h HIS 17 CO -0.00 0.06 0.04 0.87 -3.07 0.00 0.00 177.93 175.83 3hku h LYS 18 N 0.00 0.20 0.00 5.12 1.57 -1.81 -2.38 116.57 119.27 3hku h LYS 18 Ca -0.00 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 3hku h LYS 18 Cb 0.18 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hku h LYS 18 CO 0.01 0.35 -0.73 -0.44 -0.57 0.00 0.00 179.45 178.07 3hku h ASP 19 N 0.02 0.00 -2.61 0.86 3.45 -1.71 -3.41 116.42 113.01 3hku h ASP 19 Ca 0.04 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.90 3hku h ASP 19 Cb 0.24 0.00 -0.39 0.00 -0.56 0.00 0.00 39.33 38.61 3hku h ASP 19 CO -0.00 0.48 -0.84 0.49 -1.57 0.00 0.00 179.24 177.80 3hku n PHE 20 N -3.11 0.56 0.25 4.55 3.72 -0.24 -4.99 117.46 118.20 3hku n PHE 20 Ca -0.01 -3.66 0.17 0.00 -0.05 0.00 0.00 57.45 53.89 3hku n PHE 20 Cb 0.74 -0.05 0.87 0.00 -0.94 0.00 0.00 39.48 40.11 3hku n PHE 20 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hku h PRO 21 N 5.53 0.00 0.00 -1.08 0.13 -1.66 -0.59 132.00 134.32 3hku h PRO 21 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3hku h PRO 21 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hku h PRO 21 CO 0.50 0.00 0.01 0.97 -0.23 0.00 0.00 178.00 179.25 3hku h ILE 22 N 0.00 0.00 -0.42 -3.56 2.10 -1.91 -2.57 117.51 111.15 3hku h ILE 22 Ca 0.00 0.00 0.12 0.00 1.08 0.00 0.00 64.86 66.06 3hku h ILE 22 Cb 0.03 0.63 -0.02 0.00 -1.09 0.00 0.00 36.82 36.37 3hku h ILE 22 CO 0.00 0.00 0.51 0.00 -1.08 0.00 0.00 178.15 177.58 3hku h ALA 23 N 1.97 2.11 -0.40 0.18 0.00 -1.42 0.34 119.26 122.05 3hku h ALA 23 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3hku h ALA 23 Cb 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3hku h ALA 23 CO 0.00 -0.73 0.03 1.63 0.00 0.00 0.00 179.25 180.18 3hku n LYS 24 N -3.56 2.31 -0.15 0.00 5.02 -0.97 -4.96 118.16 115.85 3hku n LYS 24 Ca 0.08 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.31 3hku n LYS 24 Cb 0.68 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3hku n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hku n GLY 25 N -0.89 -0.45 0.14 0.72 0.00 0.12 -4.99 105.19 99.84 3hku n GLY 25 Ca 0.32 -1.75 0.12 0.00 0.00 0.00 0.00 46.02 44.72 3hku n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hku h GLU 26 N 0.00 0.00 -1.45 1.61 4.39 -1.96 -3.38 114.58 113.78 3hku h GLU 26 Ca 0.00 0.00 -0.41 0.00 0.34 0.00 0.00 59.36 59.29 3hku h GLU 26 Cb 0.00 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.32 3hku h GLU 26 CO 0.00 0.00 -1.00 2.89 -1.16 0.00 0.00 179.01 179.74 3hku n ARG 27 N -2.57 0.99 -2.99 2.33 1.85 -1.26 -4.64 116.66 110.37 3hku n ARG 27 Ca 0.04 -3.00 -0.32 0.00 -1.00 0.00 0.00 57.85 53.58 3hku n ARG 27 Cb 0.48 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 30.33 3hku n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hku s GLN 28 N -1.74 3.91 0.18 2.89 -1.52 -1.26 -2.82 119.66 119.30 3hku s GLN 28 Ca 0.35 0.61 0.08 0.00 -1.95 0.00 0.00 55.36 54.45 3hku s GLN 28 Cb 0.34 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.69 3hku s GLN 28 CO -0.07 0.06 -0.17 -1.12 -0.25 0.00 0.00 175.29 173.74 3hku s SER 29 N -2.66 2.63 1.00 5.90 0.01 -1.26 -4.67 113.70 114.65 3hku s SER 29 Ca 0.53 -0.91 -0.17 0.00 1.31 0.00 0.00 55.95 56.71 3hku s SER 29 Cb -0.10 -0.15 0.23 0.00 0.21 0.00 0.00 66.02 66.20 3hku s SER 29 CO 0.23 -0.08 1.35 -2.16 0.41 0.00 0.00 173.24 172.99 3hku s PRO 30 N -3.08 0.31 0.13 12.44 0.04 -1.26 -4.51 135.00 139.08 3hku s PRO 30 Ca 0.18 -0.51 0.02 0.00 0.04 0.00 0.00 61.00 60.73 3hku s PRO 30 Cb -0.04 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3hku s PRO 30 CO 0.07 -2.62 -0.03 0.14 0.04 0.00 0.00 177.00 174.59 3hku s VAL 31 N -3.93 0.64 0.11 -0.36 -7.23 -1.26 -0.49 120.40 107.88 3hku s VAL 31 Ca 0.76 -1.95 -0.30 0.00 -1.81 0.00 0.00 61.98 58.68 3hku s VAL 31 Cb -0.03 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.97 3hku s VAL 31 CO 0.54 -0.69 0.99 -0.62 -0.31 0.00 0.00 175.10 175.01 3hku s ASP 32 N -3.09 7.44 -0.54 4.85 2.15 -1.26 -2.90 116.67 123.32 3hku s ASP 32 Ca 0.17 1.83 -0.18 0.00 0.43 0.00 0.00 52.55 54.81 3hku s ASP 32 Cb 0.06 -2.59 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 3hku s ASP 32 CO -0.01 -0.12 0.60 -0.63 -0.17 0.00 0.00 175.17 174.84 3hku s ILE 33 N 0.09 4.97 -0.56 4.11 1.01 0.61 -4.93 121.20 126.49 3hku s ILE 33 Ca 0.48 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.92 3hku s ILE 33 Cb -0.24 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 37.91 3hku s ILE 33 CO 0.30 -0.90 1.09 -0.62 0.00 0.00 0.00 174.94 174.82 3hku s ASP 34 N 3.18 6.43 0.51 3.58 2.15 -1.26 -0.63 116.67 130.63 3hku s ASP 34 Ca 0.10 -0.02 0.26 0.00 0.43 0.00 0.00 52.55 53.32 3hku s ASP 34 Cb -0.24 -2.51 1.40 0.00 -0.30 0.00 0.00 42.92 41.28 3hku s ASP 34 CO 0.07 -1.36 2.07 0.71 -0.17 0.00 0.00 175.17 176.49 3hku h THR 35 N 6.11 0.64 -0.19 1.71 1.35 -1.95 -0.78 112.91 119.80 3hku h THR 35 Ca -0.25 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 3hku h THR 35 Cb 1.06 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3hku h THR 35 CO 1.14 0.12 0.00 1.41 -0.25 0.00 0.00 175.52 177.94 3hku n HIS 36 N -3.73 0.23 -0.03 4.73 8.25 -1.26 -3.82 115.22 119.60 3hku n HIS 36 Ca -0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3hku n HIS 36 Cb 0.23 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.27 3hku n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hku n THR 37 N 0.51 0.33 -1.88 1.59 -1.04 -0.34 -5.03 114.28 108.42 3hku n THR 37 Ca 0.17 -0.32 -0.39 0.00 -2.04 0.00 0.00 64.05 61.47 3hku n THR 37 Cb 0.38 -0.26 0.01 0.00 -1.82 0.00 0.00 70.33 68.64 3hku n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hku s ALA 38 N -2.45 3.17 -0.24 2.41 0.00 -0.94 -4.88 121.76 118.83 3hku s ALA 38 Ca -0.04 1.36 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 3hku s ALA 38 Cb 0.05 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3hku s ALA 38 CO 0.40 -1.10 0.10 0.21 0.00 0.00 0.00 175.76 175.37 3hku s LYS 39 N -2.47 3.84 0.14 0.00 2.47 -0.60 -4.81 119.74 118.31 3hku s LYS 39 Ca 0.62 -0.39 -0.31 0.00 -1.56 0.00 0.00 55.97 54.32 3hku s LYS 39 Cb -0.41 -3.38 -0.10 0.00 -1.46 0.00 0.00 37.83 32.48 3hku s LYS 39 CO 0.52 -0.04 1.64 -0.47 0.16 0.00 0.00 175.35 177.16 3hku s TYR 40 N 1.25 2.77 -0.35 4.03 5.04 -1.26 0.02 117.35 128.85 3hku s TYR 40 Ca 0.05 0.44 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 3hku s TYR 40 Cb -0.14 -3.99 0.10 0.00 0.35 0.00 0.00 41.96 38.27 3hku s TYR 40 CO 0.04 -3.82 0.07 0.34 -1.34 0.00 0.00 175.55 170.85 3hku s ASP 41 N 1.66 4.86 0.04 4.32 -1.08 -0.33 -4.87 116.67 121.28 3hku s ASP 41 Ca 0.73 -2.06 0.14 0.00 -0.52 0.00 0.00 52.55 50.84 3hku s ASP 41 Cb -0.44 -1.67 0.61 0.00 -1.46 0.00 0.00 42.92 39.96 3hku s ASP 41 CO 0.32 -0.40 1.45 -0.81 0.52 0.00 0.00 175.17 176.25 3hku n PRO 42 N 4.35 0.03 0.14 4.34 -0.04 -1.26 -2.44 135.00 140.12 3hku n PRO 42 Ca 0.01 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 3hku n PRO 42 Cb 0.42 -1.56 0.14 0.00 -0.04 0.00 0.00 33.50 32.46 3hku n PRO 42 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hku h SER 43 N 0.00 0.00 -2.42 3.54 4.64 -1.97 -3.45 113.55 113.88 3hku h SER 43 Ca 0.00 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.75 3hku h SER 43 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3hku h SER 43 CO 0.00 0.02 1.20 -0.76 -0.87 0.00 0.00 176.83 176.42 3hku s LEU 44 N -5.43 4.41 0.76 5.97 1.43 -1.02 -5.00 118.68 119.80 3hku s LEU 44 Ca 0.05 2.57 -0.14 0.00 -1.03 0.00 0.00 54.13 55.58 3hku s LEU 44 Cb 0.09 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.83 3hku s LEU 44 CO 0.71 -1.03 1.18 -0.54 0.23 0.00 0.00 176.35 176.90 3hku s LYS 45 N 4.37 2.00 0.70 1.70 1.02 -1.26 -4.91 119.74 123.37 3hku s LYS 45 Ca 0.85 1.66 -0.16 0.00 0.02 0.00 0.00 55.97 58.34 3hku s LYS 45 Cb -0.41 -1.83 0.02 0.00 -0.52 0.00 0.00 37.83 35.10 3hku s LYS 45 CO 0.39 -1.92 1.25 -2.14 -0.92 0.00 0.00 175.35 172.01 3hku s PRO 46 N -4.11 2.26 0.30 -1.68 0.02 -1.26 -2.03 135.00 128.49 3hku s PRO 46 Ca 0.72 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 63.35 3hku s PRO 46 Cb -0.27 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 3hku s PRO 46 CO 0.48 -1.78 1.39 -0.51 -0.33 0.00 0.00 177.00 176.24 3hku s LEU 47 N -4.85 4.40 -0.32 -5.54 1.43 -1.26 -2.01 118.68 110.51 3hku s LEU 47 Ca 0.78 2.73 -0.01 0.00 -1.03 0.00 0.00 54.13 56.59 3hku s LEU 47 Cb -0.33 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.31 3hku s LEU 47 CO 0.43 -0.65 0.04 -0.55 0.23 0.00 0.00 176.35 175.85 3hku s SER 48 N -0.08 4.94 -0.37 2.29 0.15 0.27 -4.88 113.70 116.02 3hku s SER 48 Ca 0.54 -1.49 -0.11 0.00 0.70 0.00 0.00 55.95 55.59 3hku s SER 48 Cb -0.41 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.19 3hku s SER 48 CO 0.50 -0.32 0.21 -0.69 1.20 0.00 0.00 173.24 174.14 3hku s VAL 49 N 1.20 4.66 -0.58 4.45 1.01 -1.26 -1.17 120.40 128.71 3hku s VAL 49 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3hku s VAL 49 Cb -0.20 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 32.75 3hku s VAL 49 CO -0.02 -0.20 0.35 -0.44 0.00 0.00 0.00 175.10 174.79 3hku s SER 50 N 1.58 4.70 0.00 3.32 0.01 -0.19 -4.91 113.70 118.22 3hku s SER 50 Ca 0.03 -3.05 0.11 0.00 1.31 0.00 0.00 55.95 54.35 3hku s SER 50 Cb -0.19 -1.72 0.26 0.00 0.21 0.00 0.00 66.02 64.58 3hku s SER 50 CO 0.07 -0.26 1.17 -1.22 0.41 0.00 0.00 173.24 173.40 3hku n TYR 51 N 3.12 0.36 -0.29 2.43 4.01 -1.26 -1.40 117.16 124.13 3hku n TYR 51 Ca 0.07 -0.38 0.13 0.00 -0.16 0.00 0.00 57.90 57.56 3hku n TYR 51 Cb 0.34 -0.02 0.37 0.00 -0.31 0.00 0.00 39.34 39.72 3hku n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3hku h ASP 52 N 2.12 0.67 -0.62 7.72 2.03 -1.91 -1.81 116.42 124.62 3hku h ASP 52 Ca 0.00 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3hku h ASP 52 Cb 0.68 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3hku h ASP 52 CO 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 179.24 178.52 3hku n GLN 53 N -4.60 3.68 -1.65 4.15 1.13 -1.18 -4.99 117.38 113.92 3hku n GLN 53 Ca 0.19 -2.76 -0.47 0.00 -1.94 0.00 0.00 57.00 52.02 3hku n GLN 53 Cb 0.51 -1.89 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 3hku n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hku n ALA 54 N 1.07 0.89 -3.99 -1.58 0.00 -0.68 -4.59 120.51 111.62 3hku n ALA 54 Ca 0.25 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.83 3hku n ALA 54 Cb 0.88 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 3hku n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hku s THR 55 N 0.60 2.19 0.53 0.00 2.01 -1.26 -4.92 115.64 114.80 3hku s THR 55 Ca 0.77 -2.36 -0.16 0.00 0.31 0.00 0.00 61.69 60.25 3hku s THR 55 Cb -0.72 -2.62 -0.07 0.00 0.01 0.00 0.00 72.50 69.10 3hku s THR 55 CO 0.42 -0.62 1.00 -0.94 -0.69 0.00 0.00 174.62 173.79 3hku s SER 56 N 0.86 6.43 0.06 3.53 1.04 -1.26 -0.77 113.70 123.59 3hku s SER 56 Ca 0.11 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.17 3hku s SER 56 Cb -0.19 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3hku s SER 56 CO -0.09 -0.72 0.00 0.18 0.98 0.00 0.00 173.24 173.59 3hku n LEU 57 N -1.70 0.43 -3.53 2.42 4.77 0.37 -4.13 117.00 115.63 3hku n LEU 57 Ca 0.07 0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 3hku n LEU 57 Cb 0.54 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3hku n LEU 57 CO 0.47 -0.41 0.52 -0.60 -1.33 0.00 0.00 177.39 176.04 3hku s ARG 58 N -2.00 0.97 -0.05 3.23 3.52 -1.24 -1.54 118.95 121.83 3hku s ARG 58 Ca 0.00 0.17 0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3hku s ARG 58 Cb 0.00 0.45 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3hku s ARG 58 CO 0.00 -0.32 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.49 3hku s ILE 59 N -1.40 2.67 -0.04 4.11 2.07 -0.54 -0.84 121.20 127.23 3hku s ILE 59 Ca -0.08 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.31 3hku s ILE 59 Cb -0.00 -2.02 0.02 0.00 0.13 0.00 0.00 42.46 40.59 3hku s ILE 59 CO 0.06 0.58 -0.03 -0.22 -1.91 0.00 0.00 174.94 173.42 3hku s LEU 60 N -0.48 1.27 -0.35 8.50 0.20 -0.15 -0.95 118.68 126.72 3hku s LEU 60 Ca 0.06 -0.09 -0.25 0.00 0.69 0.00 0.00 54.13 54.54 3hku s LEU 60 Cb -0.12 -0.35 0.01 0.00 -0.43 0.00 0.00 46.19 45.30 3hku s LEU 60 CO 0.01 -0.07 0.88 0.21 -0.29 0.00 0.00 176.35 177.09 3hku s ASN 61 N 0.95 6.68 -0.07 3.68 3.84 -0.16 -0.77 114.94 129.08 3hku s ASN 61 Ca -0.11 0.60 0.19 0.00 0.21 0.00 0.00 52.86 53.76 3hku s ASN 61 Cb -0.14 -2.45 0.65 0.00 -0.55 0.00 0.00 41.25 38.77 3hku s ASN 61 CO -0.01 -0.78 1.56 -0.46 -2.79 0.00 0.00 177.10 174.62 3hku n ASN 62 N 6.59 4.31 0.00 -4.21 6.94 -0.72 -0.50 115.26 127.66 3hku n ASN 62 Ca 0.06 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 3hku n ASN 62 Cb 0.48 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3hku n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hku n GLY 63 N 1.19 1.18 1.06 4.83 0.00 -1.26 -4.76 105.19 107.43 3hku n GLY 63 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hku n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hku n HIS 64 N -2.00 -0.01 -1.42 1.61 8.25 -1.26 -4.74 115.22 115.65 3hku n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hku n HIS 64 Cb 0.00 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3hku n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hku n ALA 65 N -3.01 0.00 -2.52 -1.41 0.00 -1.26 -4.85 120.51 107.45 3hku n ALA 65 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 3hku n ALA 65 Cb 0.43 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.74 3hku n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3hku s PHE 66 N 0.18 1.58 -0.15 0.00 -0.71 -1.26 -1.76 117.98 115.86 3hku s PHE 66 Ca 0.00 -0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 55.51 3hku s PHE 66 Cb 0.00 -0.98 -0.04 0.00 -1.21 0.00 0.00 43.02 40.80 3hku s PHE 66 CO 0.00 0.02 0.04 -0.80 -1.34 0.00 0.00 175.22 173.14 3hku s ASN 67 N -0.79 5.48 -0.32 1.98 0.02 0.05 -4.29 114.94 117.06 3hku s ASN 67 Ca 0.06 0.10 -0.12 0.00 -1.02 0.00 0.00 52.86 51.88 3hku s ASN 67 Cb -0.08 -1.83 -0.02 0.00 0.02 0.00 0.00 41.25 39.35 3hku s ASN 67 CO 0.00 0.25 0.22 -0.69 0.02 0.00 0.00 177.10 176.90 3hku s VAL 68 N -0.08 5.19 0.11 1.60 1.01 -0.12 -0.97 120.40 127.13 3hku s VAL 68 Ca 0.06 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.78 3hku s VAL 68 Cb -0.12 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 3hku s VAL 68 CO 0.01 0.05 0.41 -1.61 0.00 0.00 0.00 175.10 173.96 3hku s GLU 69 N 1.71 3.72 0.16 2.72 2.02 -0.02 -1.26 118.70 127.75 3hku s GLU 69 Ca 0.06 0.11 0.10 0.00 0.02 0.00 0.00 54.97 55.26 3hku s GLU 69 Cb -0.17 -2.92 -0.04 0.00 0.10 0.00 0.00 34.13 31.10 3hku s GLU 69 CO 0.10 0.51 -0.23 -0.06 0.02 0.00 0.00 175.26 175.61 3hku s PHE 70 N -1.51 2.09 -0.34 1.61 0.40 -0.21 -0.48 117.98 119.54 3hku s PHE 70 Ca 0.37 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 56.01 3hku s PHE 70 Cb -0.13 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.31 3hku s PHE 70 CO 0.20 0.37 1.69 0.34 0.70 0.00 0.00 175.22 178.52 3hku s ASP 71 N -2.39 6.05 -0.26 1.36 -1.08 0.05 -4.82 116.67 115.57 3hku s ASP 71 Ca 0.15 1.23 0.10 0.00 -0.52 0.00 0.00 52.55 53.51 3hku s ASP 71 Cb -0.08 -2.53 0.50 0.00 -1.46 0.00 0.00 42.92 39.34 3hku s ASP 71 CO 0.07 -1.59 1.43 -0.90 0.52 0.00 0.00 175.17 174.70 3hku n ASP 72 N 9.73 2.61 -0.03 -0.34 5.75 -1.26 -4.61 116.55 128.40 3hku n ASP 72 Ca 0.21 -3.65 0.14 0.00 -0.01 0.00 0.00 54.79 51.48 3hku n ASP 72 Cb 0.47 -0.61 0.69 0.00 -1.03 0.00 0.00 41.12 40.64 3hku n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hku n SER 73 N -1.05 0.15 -4.02 -1.12 3.41 -1.26 -4.86 113.62 104.87 3hku n SER 73 Ca 0.30 -0.22 -0.10 0.00 -0.26 0.00 0.00 58.87 58.59 3hku n SER 73 Cb 0.98 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.65 3hku n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hku s GLN 74 N -2.59 1.46 -1.18 4.33 -0.21 -1.26 -5.06 119.66 115.15 3hku s GLN 74 Ca 0.27 -1.30 -0.08 0.00 0.02 0.00 0.00 55.36 54.27 3hku s GLN 74 Cb 0.20 0.43 -0.07 0.00 1.00 0.00 0.00 33.01 34.58 3hku s GLN 74 CO 0.48 -0.59 2.41 -0.25 -2.12 0.00 0.00 175.29 175.22 3hku n ASP 75 N -0.35 6.22 0.13 5.90 8.00 -1.26 -4.57 116.55 130.62 3hku n ASP 75 Ca -0.02 -2.43 -0.24 0.00 0.71 0.00 0.00 54.79 52.81 3hku n ASP 75 Cb 0.63 -1.27 -0.16 0.00 -0.02 0.00 0.00 41.12 40.30 3hku n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hku h LYS 76 N 5.88 0.50 -3.45 -1.24 1.57 -1.86 -3.44 116.57 114.53 3hku h LYS 76 Ca 0.63 -0.86 -0.46 0.00 -1.87 0.00 0.00 60.65 58.09 3hku h LYS 76 Cb 0.23 0.32 -0.39 0.00 0.08 0.00 0.00 32.23 32.46 3hku h LYS 76 CO 1.59 1.41 -0.76 0.00 -0.57 0.00 0.00 179.45 181.13 3hku s ALA 77 N -2.60 0.66 0.10 3.86 0.00 -1.26 -3.09 121.76 119.44 3hku s ALA 77 Ca -0.11 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.61 3hku s ALA 77 Cb 0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3hku s ALA 77 CO 0.92 -0.83 -0.11 0.14 0.00 0.00 0.00 175.76 175.89 3hku s VAL 78 N 2.01 0.99 -0.08 0.00 -7.23 -0.50 -0.58 120.40 115.01 3hku s VAL 78 Ca 0.03 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3hku s VAL 78 Cb -0.14 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.40 3hku s VAL 78 CO -0.07 -0.54 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.75 3hku s LEU 79 N -2.45 2.28 0.29 1.32 2.96 0.97 -1.02 118.68 123.03 3hku s LEU 79 Ca 0.06 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3hku s LEU 79 Cb -0.03 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3hku s LEU 79 CO 0.00 0.22 0.37 -0.54 -1.32 0.00 0.00 176.35 175.09 3hku s LYS 80 N -0.00 1.65 2.17 1.98 1.02 -0.32 -1.37 119.74 124.87 3hku s LYS 80 Ca -0.07 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.27 3hku s LYS 80 Cb -0.15 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 3hku s LYS 80 CO 0.05 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.24 3hku n GLY 81 N -0.46 -0.91 7.00 -3.33 0.00 -1.26 -0.57 105.19 105.66 3hku n GLY 81 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3hku n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hku n GLY 82 N 0.00 3.42 0.22 -0.02 0.00 -0.85 -0.89 105.19 107.07 3hku n GLY 82 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.10 3hku n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hku n PRO 83 N 14.00 1.31 -3.12 1.61 -0.04 -1.26 -4.02 135.00 143.48 3hku n PRO 83 Ca 0.00 -0.45 -0.39 0.00 -0.04 0.00 0.00 63.50 62.62 3hku n PRO 83 Cb 0.00 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 3hku n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hku s LEU 84 N -1.95 4.51 -0.28 1.53 1.43 -0.07 -5.05 118.68 118.80 3hku s LEU 84 Ca 0.42 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.78 3hku s LEU 84 Cb 0.21 -3.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 3hku s LEU 84 CO 0.34 0.17 0.27 -0.62 0.23 0.00 0.00 176.35 176.74 3hku s ASP 85 N -0.73 6.12 0.00 2.29 -1.08 -1.26 -4.13 116.67 117.88 3hku s ASP 85 Ca 0.33 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.45 3hku s ASP 85 Cb -0.20 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 3hku s ASP 85 CO 0.21 -0.12 0.00 0.61 0.52 0.00 0.00 175.17 176.39 3hku n GLY 86 N 4.91 -0.68 3.21 2.66 0.00 -1.26 -4.92 105.19 109.11 3hku n GLY 86 Ca -0.12 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 3hku n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hku s THR 87 N 0.00 1.98 -0.14 2.61 2.01 -1.26 -4.51 115.64 116.32 3hku s THR 87 Ca 0.00 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.04 3hku s THR 87 Cb 0.00 -1.71 0.00 0.00 0.01 0.00 0.00 72.50 70.81 3hku s THR 87 CO 0.00 0.54 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.97 3hku s TYR 88 N 0.30 2.71 -0.12 4.92 1.51 -0.47 -1.60 117.35 124.60 3hku s TYR 88 Ca -0.17 -1.21 -0.18 0.00 -1.01 0.00 0.00 57.07 54.51 3hku s TYR 88 Cb -0.17 -1.84 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3hku s TYR 88 CO 0.08 -0.55 0.47 1.03 -1.11 0.00 0.00 175.55 175.47 3hku s ARG 89 N 0.79 4.34 0.14 -0.62 0.52 0.09 -0.02 118.95 124.18 3hku s ARG 89 Ca -0.07 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.26 3hku s ARG 89 Cb -0.16 -3.44 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 3hku s ARG 89 CO -0.01 0.16 1.63 -1.17 0.02 0.00 0.00 175.30 175.93 3hku s LEU 90 N 0.63 4.37 -0.07 2.53 2.96 0.25 -1.32 118.68 128.03 3hku s LEU 90 Ca 0.26 2.63 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 3hku s LEU 90 Cb -0.15 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.89 3hku s LEU 90 CO 0.10 -0.87 -0.03 0.00 -1.32 0.00 0.00 176.35 174.23 3hku n ILE 91 N 4.24 0.46 -3.58 6.68 3.06 -0.27 -4.53 119.36 125.42 3hku n ILE 91 Ca 0.15 -0.23 -0.07 0.00 -2.50 0.00 0.00 62.75 60.11 3hku n ILE 91 Cb 0.39 -0.81 -0.02 0.00 0.54 0.00 0.00 39.64 39.74 3hku n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hku s GLN 92 N -2.16 0.94 0.13 9.51 1.03 -1.20 -1.04 119.66 126.86 3hku s GLN 92 Ca -0.08 -0.41 0.05 0.00 0.04 0.00 0.00 55.36 54.96 3hku s GLN 92 Cb 0.02 0.39 -0.04 0.00 0.03 0.00 0.00 33.01 33.41 3hku s GLN 92 CO 0.23 -0.42 -0.11 -0.59 -2.54 0.00 0.00 175.29 171.86 3hku s PHE 93 N -3.17 1.26 0.36 9.60 -0.12 -0.39 -0.45 117.98 125.07 3hku s PHE 93 Ca 0.07 -0.70 -0.12 0.00 -0.05 0.00 0.00 56.93 56.13 3hku s PHE 93 Cb -0.01 -0.65 0.03 0.00 -0.63 0.00 0.00 43.02 41.76 3hku s PHE 93 CO -0.06 0.09 0.68 -3.38 -0.05 0.00 0.00 175.22 172.50 3hku s HIS 94 N -2.93 0.36 0.19 3.49 -3.43 -0.63 -0.94 115.29 111.40 3hku s HIS 94 Ca 0.13 -0.88 0.05 0.00 -0.80 0.00 0.00 55.06 53.56 3hku s HIS 94 Cb 0.00 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.64 3hku s HIS 94 CO 0.01 -1.39 -0.07 -0.06 -2.00 0.00 0.00 174.74 171.23 3hku s PHE 95 N -2.76 1.46 0.02 0.38 0.40 -1.26 -0.61 117.98 115.61 3hku s PHE 95 Ca 0.19 -0.79 0.07 0.00 -0.60 0.00 0.00 56.93 55.80 3hku s PHE 95 Cb -0.04 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 3hku s PHE 95 CO 0.13 0.08 -0.19 -1.01 0.70 0.00 0.00 175.22 174.93 3hku s HIS 96 N -3.30 1.71 0.27 0.36 3.76 0.02 -4.74 115.29 113.38 3hku s HIS 96 Ca 0.22 -0.35 -0.13 0.00 -0.15 0.00 0.00 55.06 54.65 3hku s HIS 96 Cb 0.03 -1.05 0.00 0.00 1.11 0.00 0.00 32.58 32.68 3hku s HIS 96 CO 0.05 0.05 0.52 1.67 -0.85 0.00 0.00 174.74 176.17 3hku s TRP 97 N -0.69 0.37 0.48 1.40 -2.14 -1.21 -0.97 118.94 116.19 3hku s TRP 97 Ca 0.07 -0.74 0.07 0.00 2.66 0.00 0.00 56.10 58.16 3hku s TRP 97 Cb -0.08 0.24 0.02 0.00 -3.10 0.00 0.00 33.47 30.55 3hku s TRP 97 CO 0.01 -1.06 0.45 0.20 -2.66 0.00 0.00 176.95 173.89 3hku s GLY 98 N -3.03 2.15 0.42 3.67 0.00 -1.11 -0.72 107.32 108.70 3hku s GLY 98 Ca 0.22 -1.71 0.22 0.00 0.00 0.00 0.00 44.72 43.45 3hku s GLY 98 CO 0.10 -1.78 1.60 1.48 0.00 0.00 0.00 173.10 174.51 3hku h SER 99 N 0.80 0.00 -5.22 1.64 4.64 -1.88 -3.38 113.55 110.14 3hku h SER 99 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 3hku h SER 99 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 3hku h SER 99 CO 0.55 0.10 -0.68 -0.76 -0.87 0.00 0.00 176.83 175.16 3hku s LEU 100 N -6.27 2.48 0.58 5.97 1.43 -1.26 -5.06 118.68 116.56 3hku s LEU 100 Ca 0.06 -0.98 0.35 0.00 -1.03 0.00 0.00 54.13 52.53 3hku s LEU 100 Cb 0.06 0.19 1.79 0.00 0.03 0.00 0.00 46.19 48.26 3hku s LEU 100 CO 0.68 -0.59 2.16 0.44 0.23 0.00 0.00 176.35 179.27 3hku h ASP 101 N 3.21 0.00 -0.06 2.29 3.32 -1.92 -2.79 116.42 120.48 3hku h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 3hku h ASP 101 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3hku h ASP 101 CO 0.65 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 3hku n GLY 102 N -0.64 -0.58 3.34 2.75 0.00 -1.26 -3.37 105.19 105.44 3hku n GLY 102 Ca -0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3hku n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hku s GLN 103 N -1.93 1.12 0.00 1.61 -2.07 -1.05 -4.66 119.66 112.67 3hku s GLN 103 Ca 0.28 -0.95 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 3hku s GLN 103 Cb 0.14 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 3hku s GLN 103 CO 0.22 -0.42 0.00 0.41 -1.32 0.00 0.00 175.29 174.18 3hku n GLY 104 N -0.21 1.67 3.86 2.60 0.00 -0.99 -3.16 105.19 108.95 3hku n GLY 104 Ca -0.12 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3hku n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hku s SER 105 N 0.00 6.20 -0.12 1.61 1.04 -0.58 -3.29 113.70 118.55 3hku s SER 105 Ca 0.00 1.49 -0.08 0.00 0.48 0.00 0.00 55.95 57.84 3hku s SER 105 Cb 0.00 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 3hku s SER 105 CO 0.00 -0.89 -0.15 -0.62 0.98 0.00 0.00 173.24 172.56 3hku n GLU 106 N -2.52 0.38 -1.92 4.02 1.02 -1.26 -4.84 120.64 115.51 3hku n GLU 106 Ca 0.06 0.48 -0.36 0.00 -0.02 0.00 0.00 57.16 57.33 3hku n GLU 106 Cb 0.54 -1.54 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 3hku n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3hku s HIS 107 N -2.05 2.34 0.20 -0.32 3.76 -1.26 -4.18 115.29 113.78 3hku s HIS 107 Ca -0.12 1.52 0.09 0.00 -0.15 0.00 0.00 55.06 56.40 3hku s HIS 107 Cb 0.02 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 3hku s HIS 107 CO 0.18 -2.28 -0.18 0.95 -0.85 0.00 0.00 174.74 172.56 3hku s THR 108 N -1.65 1.95 -0.22 1.30 -4.23 -1.14 -4.69 115.64 106.95 3hku s THR 108 Ca 0.77 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 3hku s THR 108 Cb -0.30 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.59 3hku s THR 108 CO 0.35 -0.39 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.23 3hku s VAL 109 N -2.35 1.93 -1.53 2.29 1.01 -0.78 -0.28 120.40 120.68 3hku s VAL 109 Ca 0.20 -1.27 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 3hku s VAL 109 Cb -0.04 -1.98 0.06 0.00 0.00 0.00 0.00 36.38 34.42 3hku s VAL 109 CO 0.08 0.14 0.54 0.47 0.00 0.00 0.00 175.10 176.34 3hku n ASP 110 N 4.57 -1.46 0.00 3.32 8.00 0.20 -0.77 116.55 130.40 3hku n ASP 110 Ca -0.15 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.32 3hku n ASP 110 Cb 0.45 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 3hku n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hku n LYS 111 N -4.42 0.00 -2.24 -1.24 4.76 -1.26 -4.99 118.16 108.77 3hku n LYS 111 Ca -0.16 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.86 3hku n LYS 111 Cb 0.61 -2.93 -0.03 0.00 -1.84 0.00 0.00 35.03 30.85 3hku n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3hku s LYS 112 N -0.23 4.30 -0.14 1.97 2.20 0.05 -4.99 119.74 122.90 3hku s LYS 112 Ca 0.00 1.96 -0.16 0.00 -0.36 0.00 0.00 55.97 57.40 3hku s LYS 112 Cb 0.00 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 3hku s LYS 112 CO 0.00 -0.52 0.39 0.15 -0.36 0.00 0.00 175.35 175.01 3hku s LYS 113 N 2.06 4.30 0.62 4.03 1.02 -1.26 -1.87 119.74 128.65 3hku s LYS 113 Ca 0.63 0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.88 3hku s LYS 113 Cb -0.32 -3.43 0.04 0.00 -0.52 0.00 0.00 37.83 33.60 3hku s LYS 113 CO 0.27 0.19 0.90 0.71 -0.92 0.00 0.00 175.35 176.50 3hku s TYR 114 N 0.56 2.96 0.34 3.18 2.02 -1.26 -4.59 117.35 120.55 3hku s TYR 114 Ca 0.22 0.30 0.12 0.00 -0.37 0.00 0.00 57.07 57.33 3hku s TYR 114 Cb -0.14 -2.94 0.60 0.00 -0.40 0.00 0.00 41.96 39.08 3hku s TYR 114 CO 0.07 -1.09 1.76 0.00 -1.57 0.00 0.00 175.55 174.72 3hku h ALA 115 N -0.26 1.25 -2.98 3.71 0.00 -1.35 -1.46 119.26 118.18 3hku h ALA 115 Ca -0.44 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.08 3hku h ALA 115 Cb 1.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hku h ALA 115 CO 0.57 0.56 0.27 0.00 0.00 0.00 0.00 179.25 180.66 3hku s ALA 116 N -4.01 -0.95 -0.10 0.00 0.00 -1.06 -2.76 121.76 112.88 3hku s ALA 116 Ca -0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 3hku s ALA 116 Cb 0.14 0.74 0.04 0.00 0.00 0.00 0.00 23.12 24.03 3hku s ALA 116 CO 0.74 -1.01 0.23 -2.00 0.00 0.00 0.00 175.76 173.72 3hku s GLU 117 N -2.88 0.21 -0.13 0.00 2.12 -0.14 -1.14 118.70 116.74 3hku s GLU 117 Ca 0.14 0.47 -0.12 0.00 0.36 0.00 0.00 54.97 55.82 3hku s GLU 117 Cb -0.05 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3hku s GLU 117 CO 0.10 -0.13 0.24 -1.17 -0.54 0.00 0.00 175.26 173.76 3hku s LEU 118 N 1.00 4.31 -0.19 2.70 2.96 0.70 -0.80 118.68 129.37 3hku s LEU 118 Ca -0.07 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3hku s LEU 118 Cb -0.09 -2.28 0.03 0.00 0.50 0.00 0.00 46.19 44.35 3hku s LEU 118 CO -0.06 0.22 -0.15 -1.00 -1.32 0.00 0.00 176.35 174.04 3hku s HIS 119 N -0.14 2.64 -0.33 5.38 3.76 0.22 -0.74 115.29 126.08 3hku s HIS 119 Ca 0.16 -1.65 -0.11 0.00 -0.15 0.00 0.00 55.06 53.31 3hku s HIS 119 Cb -0.13 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.77 3hku s HIS 119 CO 0.04 -0.78 0.19 -0.51 -0.85 0.00 0.00 174.74 172.83 3hku s LEU 120 N 1.33 4.30 -0.19 0.89 1.43 -0.26 -1.60 118.68 124.58 3hku s LEU 120 Ca 0.01 -0.54 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 3hku s LEU 120 Cb -0.15 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3hku s LEU 120 CO -0.10 -0.23 0.13 -0.69 0.23 0.00 0.00 176.35 175.69 3hku s VAL 121 N 1.64 5.38 0.04 -1.59 1.01 0.40 -1.25 120.40 126.03 3hku s VAL 121 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3hku s VAL 121 Cb -0.17 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 3hku s VAL 121 CO 0.08 0.47 -0.10 -1.00 0.00 0.00 0.00 175.10 174.54 3hku s HIS 122 N 0.15 0.89 0.09 5.22 3.76 -0.26 -1.11 115.29 124.02 3hku s HIS 122 Ca 0.09 -0.37 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 3hku s HIS 122 Cb -0.11 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 33.01 3hku s HIS 122 CO -0.01 -0.01 -0.26 1.67 -0.85 0.00 0.00 174.74 175.28 3hku s TRP 123 N -0.94 2.33 -0.20 1.40 1.48 -0.43 -0.97 118.94 121.60 3hku s TRP 123 Ca -0.03 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.34 3hku s TRP 123 Cb -0.08 -1.33 -0.03 0.00 -1.16 0.00 0.00 33.47 30.87 3hku s TRP 123 CO 0.01 0.24 1.70 1.21 -4.06 0.00 0.00 176.95 176.04 3hku s ASN 124 N -1.65 6.29 0.61 -2.66 3.84 0.71 -0.73 114.94 121.36 3hku s ASN 124 Ca 0.13 1.72 0.40 0.00 0.21 0.00 0.00 52.86 55.32 3hku s ASN 124 Cb -0.10 -2.53 2.02 0.00 -0.55 0.00 0.00 41.25 40.09 3hku s ASN 124 CO 0.04 -1.31 2.21 0.71 -2.79 0.00 0.00 177.10 175.96 3hku h THR 125 N 6.21 0.00 0.00 -5.21 1.35 -1.64 -1.96 112.91 111.66 3hku h THR 125 Ca -0.36 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3hku h THR 125 Cb 1.17 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3hku h THR 125 CO 0.99 0.00 0.00 0.07 -0.25 0.00 0.00 175.52 176.33 3hku h LYS 126 N 0.00 0.00 -0.17 4.72 2.10 -1.90 -2.08 116.57 119.24 3hku h LYS 126 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hku h LYS 126 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 3hku h LYS 126 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 3hku n TYR 127 N -2.46 0.20 0.00 0.07 4.01 -0.74 -5.00 117.16 113.24 3hku n TYR 127 Ca -0.01 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3hku n TYR 127 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 3hku n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hku n GLY 128 N 1.31 1.24 3.40 2.72 0.00 -0.78 -4.53 105.19 108.55 3hku n GLY 128 Ca 0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3hku n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hku s ASP 129 N 0.00 0.02 0.17 1.61 1.47 -1.26 -5.06 116.67 113.63 3hku s ASP 129 Ca 0.00 -1.06 -0.11 0.00 1.18 0.00 0.00 52.55 52.56 3hku s ASP 129 Cb 0.00 0.48 0.07 0.00 -0.34 0.00 0.00 42.92 43.12 3hku s ASP 129 CO 0.00 -0.98 1.69 0.15 0.68 0.00 0.00 175.17 176.71 3hku h PHE 130 N 2.45 0.97 -0.34 2.11 3.57 -1.94 -1.39 116.94 122.38 3hku h PHE 130 Ca -0.31 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3hku h PHE 130 Cb 1.24 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 3hku h PHE 130 CO 0.38 0.82 0.07 0.78 -2.23 0.00 0.00 178.31 178.14 3hku h GLY 131 N 0.84 0.52 1.34 2.40 0.00 -1.97 -1.65 103.07 104.56 3hku h GLY 131 Ca 0.19 -0.27 -0.22 0.00 0.00 0.00 0.00 47.33 47.03 3hku h GLY 131 CO -0.00 0.25 -0.84 0.50 0.00 0.00 0.00 176.54 176.45 3hku h LYS 132 N 0.48 0.62 -0.88 4.80 1.79 -1.77 -3.33 116.57 118.29 3hku h LYS 132 Ca 0.11 -0.56 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 3hku h LYS 132 Cb 0.20 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 3hku h LYS 132 CO -0.00 1.18 0.48 0.00 -1.08 0.00 0.00 179.45 180.02 3hku h ALA 133 N 0.65 1.19 0.00 3.86 0.00 -0.39 -2.15 119.26 122.42 3hku h ALA 133 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hku h ALA 133 Cb 1.47 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hku h ALA 133 CO 0.16 0.65 0.00 1.33 0.00 0.00 0.00 179.25 181.39 3hku n VAL 134 N -4.33 1.16 0.54 0.00 0.24 -0.71 -1.44 118.33 113.80 3hku n VAL 134 Ca 0.09 0.33 0.07 0.00 -2.04 0.00 0.00 64.34 62.79 3hku n VAL 134 Cb 0.10 -1.18 0.20 0.00 -1.47 0.00 0.00 33.84 31.49 3hku n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hku n GLN 135 N -1.70 2.09 -4.65 7.34 6.02 -0.81 -4.64 117.38 121.03 3hku n GLN 135 Ca 0.02 -1.63 -0.25 0.00 -0.01 0.00 0.00 57.00 55.13 3hku n GLN 135 Cb 0.14 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 29.89 3hku n GLN 135 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3hku s GLN 136 N -1.42 1.38 0.57 -1.09 -1.52 -0.52 -5.04 119.66 112.01 3hku s GLN 136 Ca 0.30 -0.92 0.35 0.00 -1.95 0.00 0.00 55.36 53.14 3hku s GLN 136 Cb 0.16 -1.48 1.65 0.00 -0.22 0.00 0.00 33.01 33.13 3hku s GLN 136 CO 0.20 0.38 2.10 -1.00 -0.25 0.00 0.00 175.29 176.72 3hku h PRO 137 N 4.92 0.00 -0.62 2.91 0.13 -1.86 -2.20 132.00 135.28 3hku h PRO 137 Ca -0.42 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.26 3hku h PRO 137 Cb 1.16 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.95 3hku h PRO 137 CO 0.44 0.04 -0.65 -0.40 -0.23 0.00 0.00 178.00 177.20 3hku n ASP 138 N -3.23 4.43 0.08 1.44 5.75 -1.26 -4.22 116.55 119.54 3hku n ASP 138 Ca -0.01 -3.78 -0.16 0.00 -0.01 0.00 0.00 54.79 50.83 3hku n ASP 138 Cb 0.23 -0.42 -0.09 0.00 -1.03 0.00 0.00 41.12 39.82 3hku n ASP 138 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hku h GLY 139 N 1.93 0.46 -3.37 6.12 0.00 -1.06 -3.43 103.07 103.71 3hku h GLY 139 Ca 0.31 -0.92 -0.57 0.00 0.00 0.00 0.00 47.33 46.15 3hku h GLY 139 CO 0.66 0.81 -0.80 1.08 0.00 0.00 0.00 176.54 178.29 3hku s LEU 140 N -7.59 2.42 -0.12 3.11 1.43 0.30 -0.20 118.68 118.03 3hku s LEU 140 Ca -0.06 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 3hku s LEU 140 Cb 0.08 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 45.36 3hku s LEU 140 CO 0.88 0.03 -0.11 0.00 0.23 0.00 0.00 176.35 177.38 3hku s ALA 141 N -1.80 1.55 -0.19 4.21 0.00 -0.15 -0.53 121.76 124.85 3hku s ALA 141 Ca 0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 3hku s ALA 141 Cb -0.07 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.13 3hku s ALA 141 CO 0.07 -0.30 -0.08 0.08 0.00 0.00 0.00 175.76 175.53 3hku s VAL 142 N 1.43 3.16 -0.32 0.00 1.01 -0.85 -1.11 120.40 123.72 3hku s VAL 142 Ca 0.01 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 3hku s VAL 142 Cb -0.13 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 3hku s VAL 142 CO -0.07 0.47 0.52 -0.22 0.00 0.00 0.00 175.10 175.80 3hku s LEU 143 N 1.12 4.24 -0.12 3.92 2.96 -0.38 -1.33 118.68 129.09 3hku s LEU 143 Ca 0.01 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 3hku s LEU 143 Cb -0.14 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 3hku s LEU 143 CO -0.02 -0.42 0.03 -0.83 -1.32 0.00 0.00 176.35 173.79 3hku s GLY 144 N 1.70 1.89 -0.06 7.98 0.00 0.80 -1.11 107.32 118.53 3hku s GLY 144 Ca 0.20 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.15 3hku s GLY 144 CO 0.12 -0.31 -0.03 -0.42 0.00 0.00 0.00 173.10 172.45 3hku s ILE 145 N -0.42 0.55 0.35 0.90 1.01 0.08 -0.76 121.20 122.92 3hku s ILE 145 Ca 0.09 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 3hku s ILE 145 Cb -0.12 -0.62 -0.10 0.00 0.01 0.00 0.00 42.46 41.63 3hku s ILE 145 CO 0.02 0.26 0.99 -0.36 0.00 0.00 0.00 174.94 175.84 3hku s PHE 146 N 1.35 3.53 -0.16 3.97 0.08 -1.26 -0.21 117.98 125.28 3hku s PHE 146 Ca -0.04 1.73 -0.02 0.00 0.12 0.00 0.00 56.93 58.71 3hku s PHE 146 Cb -0.13 -3.00 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 3hku s PHE 146 CO -0.02 -0.11 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.40 3hku s LEU 147 N -2.27 2.99 0.25 -0.37 1.02 -0.29 -0.59 118.68 119.42 3hku s LEU 147 Ca 0.53 -0.25 0.10 0.00 0.02 0.00 0.00 54.13 54.52 3hku s LEU 147 Cb -0.20 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.26 3hku s LEU 147 CO 0.25 0.13 -0.04 -1.59 0.02 0.00 0.00 176.35 175.12 3hku s LYS 148 N 0.58 2.20 -0.19 1.70 -2.85 -0.18 -1.76 119.74 119.24 3hku s LYS 148 Ca -0.05 -1.40 -0.20 0.00 -1.00 0.00 0.00 55.97 53.32 3hku s LYS 148 Cb -0.15 -2.14 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 3hku s LYS 148 CO 0.03 0.38 0.61 0.08 0.10 0.00 0.00 175.35 176.55 3hku s VAL 149 N -2.19 5.04 0.00 1.79 1.01 -1.26 -0.65 120.40 124.14 3hku s VAL 149 Ca 0.30 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3hku s VAL 149 Cb -0.07 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3hku s VAL 149 CO 0.18 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3hku n GLY 150 N 3.76 1.47 3.84 4.51 0.00 0.47 -4.89 105.19 114.36 3hku n GLY 150 Ca -0.02 0.34 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 3hku n GLY 150 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hku s SER 151 N 2.00 6.50 0.54 1.61 1.04 -1.26 -4.03 113.70 120.09 3hku s SER 151 Ca 0.00 1.59 -0.22 0.00 0.48 0.00 0.00 55.95 57.80 3hku s SER 151 Cb 0.00 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 3hku s SER 151 CO 0.00 -0.68 1.33 0.00 0.98 0.00 0.00 173.24 174.88 3hku s ALA 152 N -2.65 2.83 -0.48 5.32 0.00 -1.26 -2.74 121.76 122.78 3hku s ALA 152 Ca 0.59 1.28 -0.17 0.00 0.00 0.00 0.00 51.96 53.67 3hku s ALA 152 Cb -0.11 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.54 3hku s ALA 152 CO 0.34 -1.29 0.47 0.21 0.00 0.00 0.00 175.76 175.48 3hku s LYS 153 N -2.89 3.02 0.37 0.00 2.47 -1.21 -4.80 119.74 116.70 3hku s LYS 153 Ca 0.71 -1.21 0.05 0.00 -1.56 0.00 0.00 55.97 53.96 3hku s LYS 153 Cb -0.39 -4.12 0.72 0.00 -1.46 0.00 0.00 37.83 32.58 3hku s LYS 153 CO 0.46 -1.09 2.01 -1.35 0.16 0.00 0.00 175.35 175.54 3hku h PRO 154 N 8.83 0.74 0.00 4.03 0.11 -1.91 -0.41 132.00 143.39 3hku h PRO 154 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hku h PRO 154 Cb 1.11 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hku h PRO 154 CO 0.91 0.49 0.00 0.41 -0.21 0.00 0.00 178.00 179.59 3hku n GLY 155 N -1.45 -1.11 0.10 -0.55 0.00 -1.25 -2.05 105.19 98.87 3hku n GLY 155 Ca 0.07 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3hku n GLY 155 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hku n LEU 156 N -1.76 0.81 -0.35 0.99 7.94 -0.17 -4.55 117.00 119.91 3hku n LEU 156 Ca 0.03 0.29 -0.00 0.00 -1.11 0.00 0.00 56.01 55.22 3hku n LEU 156 Cb 0.20 -0.07 0.13 0.00 0.53 0.00 0.00 43.42 44.21 3hku n LEU 156 CO 0.16 -0.16 1.25 -0.61 -1.11 0.00 0.00 177.39 176.92 3hku h GLN 157 N 0.00 1.14 -0.87 1.96 5.75 -1.38 -1.19 115.11 120.52 3hku h GLN 157 Ca 0.00 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3hku h GLN 157 Cb 0.96 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 29.19 3hku h GLN 157 CO 0.00 0.76 0.57 -0.22 -2.65 0.00 0.00 178.83 177.28 3hku h LYS 158 N 1.18 0.89 -0.01 1.69 3.64 -1.80 0.11 116.57 122.27 3hku h LYS 158 Ca 0.38 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3hku h LYS 158 Cb 0.02 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3hku h LYS 158 CO -0.13 0.59 0.00 0.28 -2.27 0.00 0.00 179.45 177.92 3hku h VAL 159 N 0.92 1.17 -0.82 2.00 2.07 -1.53 -3.03 116.25 117.02 3hku h VAL 159 Ca 0.39 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hku h VAL 159 Cb 0.32 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3hku h VAL 159 CO -0.16 0.13 0.54 0.58 0.02 0.00 0.00 177.57 178.69 3hku h VAL 160 N -0.20 1.20 -0.13 2.57 2.07 -0.76 -2.52 116.25 118.48 3hku h VAL 160 Ca 0.00 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3hku h VAL 160 Cb 0.22 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3hku h VAL 160 CO -0.00 0.20 0.09 0.44 0.02 0.00 0.00 177.57 178.33 3hku h ASP 161 N 1.11 0.00 0.30 0.57 3.32 -0.76 -2.85 116.42 118.11 3hku h ASP 161 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hku h ASP 161 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3hku h ASP 161 CO -0.07 0.00 -0.76 0.55 -1.72 0.00 0.00 179.24 177.24 3hku n VAL 162 N -4.49 0.02 0.07 -1.35 3.14 -0.95 -4.42 118.33 110.35 3hku n VAL 162 Ca 0.00 -0.03 0.05 0.00 -2.96 0.00 0.00 64.34 61.40 3hku n VAL 162 Cb 0.22 0.52 0.48 0.00 -1.06 0.00 0.00 33.84 34.00 3hku n VAL 162 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3hku h LEU 163 N 0.00 0.35 -1.87 6.55 3.38 -1.46 -1.35 115.31 120.91 3hku h LEU 163 Ca 0.00 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3hku h LEU 163 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3hku h LEU 163 CO 0.00 0.25 0.29 0.44 0.09 0.00 0.00 178.44 179.52 3hku h ASP 164 N 0.41 0.13 0.48 -0.43 3.32 -1.79 -2.13 116.42 116.40 3hku h ASP 164 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hku h ASP 164 Cb -0.04 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hku h ASP 164 CO -0.02 0.08 -0.20 -1.54 -1.72 0.00 0.00 179.24 175.84 3hku n SER 165 N -4.45 0.48 -2.49 6.45 3.41 -0.51 -3.91 113.62 112.60 3hku n SER 165 Ca 0.07 -0.38 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 3hku n SER 165 Cb 0.39 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3hku n SER 165 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3hku n ILE 166 N -1.12 1.79 -0.22 -1.33 -5.35 -0.81 -4.72 119.36 107.61 3hku n ILE 166 Ca 0.11 -3.66 -0.03 0.00 -0.27 0.00 0.00 62.75 58.89 3hku n ILE 166 Cb 0.31 0.03 0.15 0.00 -1.74 0.00 0.00 39.64 38.39 3hku n ILE 166 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hku h LYS 167 N 2.53 1.02 -6.16 6.28 3.64 -1.65 -3.42 116.57 118.82 3hku h LYS 167 Ca 0.10 -0.17 -0.58 0.00 -1.27 0.00 0.00 60.65 58.73 3hku h LYS 167 Cb 1.29 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 32.82 3hku h LYS 167 CO 0.52 0.83 -0.66 0.95 -2.27 0.00 0.00 179.45 178.82 3hku s THR 168 N -5.49 3.02 0.13 1.00 -4.23 -1.26 -0.70 115.64 108.11 3hku s THR 168 Ca -0.11 -2.03 -0.34 0.00 -1.18 0.00 0.00 61.69 58.03 3hku s THR 168 Cb 0.16 -2.71 -0.14 0.00 1.34 0.00 0.00 72.50 71.15 3hku s THR 168 CO 0.81 -0.33 1.62 1.17 -0.54 0.00 0.00 174.62 177.35 3hku n LYS 169 N -0.86 2.17 0.00 3.99 4.81 -0.10 -2.22 118.16 125.96 3hku n LYS 169 Ca -0.05 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 3hku n LYS 169 Cb 0.60 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.08 3hku n LYS 169 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hku n GLY 170 N 3.56 1.23 3.74 3.14 0.00 0.34 -4.50 105.19 112.70 3hku n GLY 170 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hku n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hku s LYS 171 N -0.82 4.73 0.18 1.61 -0.14 -0.94 -4.88 119.74 119.47 3hku s LYS 171 Ca 0.00 1.51 0.04 0.00 -1.36 0.00 0.00 55.97 56.16 3hku s LYS 171 Cb 0.00 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.77 3hku s LYS 171 CO 0.00 0.28 -0.06 -1.54 -0.76 0.00 0.00 175.35 173.26 3hku s SER 172 N -0.37 1.81 0.02 2.83 1.04 -1.26 -0.99 113.70 116.78 3hku s SER 172 Ca 0.46 -1.09 -0.06 0.00 0.48 0.00 0.00 55.95 55.73 3hku s SER 172 Cb -0.25 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3hku s SER 172 CO 0.32 -0.40 0.10 0.00 0.98 0.00 0.00 173.24 174.24 3hku s ALA 173 N -3.36 -0.18 0.30 5.32 0.00 -0.13 -4.90 121.76 118.81 3hku s ALA 173 Ca 0.21 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.53 3hku s ALA 173 Cb 0.04 0.17 -0.12 0.00 0.00 0.00 0.00 23.12 23.21 3hku s ALA 173 CO 0.04 -0.25 1.51 -0.25 0.00 0.00 0.00 175.76 176.81 3hku n ASP 174 N 1.18 3.50 -2.70 0.00 8.00 -1.26 -1.47 116.55 123.80 3hku n ASP 174 Ca -0.21 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.36 3hku n ASP 174 Cb 0.57 -1.55 0.05 0.00 -0.02 0.00 0.00 41.12 40.17 3hku n ASP 174 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3hku n PHE 175 N 1.69 -0.00 -2.23 1.24 7.35 -0.59 -4.74 117.46 120.18 3hku n PHE 175 Ca 0.08 -2.59 -0.29 0.00 -0.76 0.00 0.00 57.45 53.89 3hku n PHE 175 Cb 0.36 0.21 0.01 0.00 0.35 0.00 0.00 39.48 40.42 3hku n PHE 175 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3hku s THR 176 N -2.08 4.51 -1.52 -2.13 -4.23 -1.24 -3.52 115.64 105.43 3hku s THR 176 Ca 0.26 0.46 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3hku s THR 176 Cb 0.43 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.51 3hku s THR 176 CO -0.00 -0.89 0.56 0.59 -0.54 0.00 0.00 174.62 174.34 3hku n ASN 177 N -2.57 -5.98 -4.78 3.99 4.13 -1.26 -4.97 115.26 103.82 3hku n ASN 177 Ca 0.04 -0.26 -0.36 0.00 1.68 0.00 0.00 54.58 55.67 3hku n ASN 177 Cb 0.55 -4.81 -0.07 0.00 -1.54 0.00 0.00 39.78 33.92 3hku n ASN 177 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hku s PHE 178 N -3.15 3.50 -0.46 3.10 5.36 -1.26 -5.03 117.98 120.04 3hku s PHE 178 Ca 0.28 0.50 -0.15 0.00 -0.96 0.00 0.00 56.93 56.60 3hku s PHE 178 Cb -0.12 -2.15 0.06 0.00 -0.34 0.00 0.00 43.02 40.47 3hku s PHE 178 CO 0.34 0.43 0.37 0.34 -1.46 0.00 0.00 175.22 175.25 3hku s ASP 179 N -0.12 6.11 0.21 6.13 2.15 -1.26 -4.47 116.67 125.43 3hku s ASP 179 Ca 0.13 -1.25 0.21 0.00 0.43 0.00 0.00 52.55 52.07 3hku s ASP 179 Cb -0.12 -2.17 0.91 0.00 -0.30 0.00 0.00 42.92 41.23 3hku s ASP 179 CO 0.02 -0.60 1.63 -0.81 -0.17 0.00 0.00 175.17 175.24 3hku n PRO 180 N 5.18 0.14 0.29 4.34 -0.04 -1.26 -2.36 135.00 141.29 3hku n PRO 180 Ca -0.12 0.43 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 3hku n PRO 180 Cb 0.44 -1.81 0.86 0.00 -0.04 0.00 0.00 33.50 32.95 3hku n PRO 180 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hku h ARG 181 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.41 114.38 114.67 3hku h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hku h ARG 181 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3hku h ARG 181 CO 0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 3hku n GLY 182 N -1.06 -0.78 0.46 0.04 0.00 -1.00 -2.89 105.19 99.96 3hku n GLY 182 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3hku n GLY 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hku n LEU 183 N -1.23 1.90 -4.87 0.99 4.77 -0.53 -3.97 117.00 114.06 3hku n LEU 183 Ca 0.09 -0.70 -0.32 0.00 -0.03 0.00 0.00 56.01 55.05 3hku n LEU 183 Cb 0.12 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3hku n LEU 183 CO 0.12 0.36 0.32 -0.76 -1.33 0.00 0.00 177.39 176.10 3hku s LEU 184 N -2.50 4.08 1.02 2.23 1.43 -1.14 -4.92 118.68 118.88 3hku s LEU 184 Ca 0.19 1.07 -0.17 0.00 -1.03 0.00 0.00 54.13 54.18 3hku s LEU 184 Cb 0.18 -3.87 0.23 0.00 0.03 0.00 0.00 46.19 42.77 3hku s LEU 184 CO 0.58 -0.17 1.32 -2.16 0.23 0.00 0.00 176.35 176.14 3hku s PRO 185 N -3.06 0.17 0.06 1.29 0.04 -1.26 -5.01 135.00 127.23 3hku s PRO 185 Ca 0.50 -0.45 -0.21 0.00 0.04 0.00 0.00 61.00 60.88 3hku s PRO 185 Cb -0.11 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3hku s PRO 185 CO 0.22 -2.72 1.47 0.93 0.04 0.00 0.00 177.00 176.93 3hku h GLU 186 N -1.87 0.27 -6.32 4.56 5.08 -1.92 -3.44 114.58 110.94 3hku h GLU 186 Ca -0.44 -0.09 -0.56 0.00 -1.00 0.00 0.00 59.36 57.27 3hku h GLU 186 Cb 1.23 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 3hku h GLU 186 CO 0.33 0.52 -0.02 0.45 -1.00 0.00 0.00 179.01 179.29 3hku s SER 187 N -5.80 7.01 -0.15 1.42 0.15 -1.26 -4.98 113.70 110.09 3hku s SER 187 Ca -0.14 1.25 0.16 0.00 0.70 0.00 0.00 55.95 57.92 3hku s SER 187 Cb 0.06 -2.36 0.66 0.00 -1.71 0.00 0.00 66.02 62.67 3hku s SER 187 CO 0.72 0.19 1.57 0.18 1.20 0.00 0.00 173.24 177.10 3hku n LEU 188 N 1.32 4.62 -4.73 3.45 4.77 -1.26 -4.73 117.00 120.43 3hku n LEU 188 Ca -0.08 -2.67 -0.41 0.00 -0.03 0.00 0.00 56.01 52.83 3hku n LEU 188 Cb 0.51 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3hku n LEU 188 CO 0.42 0.72 0.98 0.47 -1.33 0.00 0.00 177.39 178.65 3hku n ASP 189 N 0.52 2.96 -3.68 -1.43 8.00 -1.26 -4.81 116.55 116.85 3hku n ASP 189 Ca 0.24 1.12 -0.10 0.00 0.71 0.00 0.00 54.79 56.76 3hku n ASP 189 Cb 0.92 -1.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.42 3hku n ASP 189 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hku s TYR 190 N -1.19 -0.12 0.12 1.24 -0.85 -1.26 -1.40 117.35 113.88 3hku s TYR 190 Ca 0.61 -0.22 0.05 0.00 -0.52 0.00 0.00 57.07 56.99 3hku s TYR 190 Cb -0.48 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 3hku s TYR 190 CO 0.58 -0.69 0.05 -1.58 -1.52 0.00 0.00 175.55 172.39 3hku s TRP 191 N -3.82 3.06 -0.01 -3.49 0.51 0.08 -0.81 118.94 114.46 3hku s TRP 191 Ca 0.04 -0.01 -0.02 0.00 -2.12 0.00 0.00 56.10 53.99 3hku s TRP 191 Cb 0.02 -1.53 -0.00 0.00 -0.81 0.00 0.00 33.47 31.15 3hku s TRP 191 CO -0.11 0.50 0.04 -0.08 -0.51 0.00 0.00 176.95 176.80 3hku s THR 192 N -1.49 0.04 0.04 2.01 -1.32 0.26 -0.47 115.64 114.72 3hku s THR 192 Ca 0.28 -0.30 -0.26 0.00 -1.21 0.00 0.00 61.69 60.19 3hku s THR 192 Cb -0.11 -0.17 0.07 0.00 -1.51 0.00 0.00 72.50 70.78 3hku s THR 192 CO 0.20 -0.17 0.62 -0.72 -2.21 0.00 0.00 174.62 172.35 3hku s TYR 193 N -0.50 -0.57 -0.04 9.09 1.13 -0.99 -1.18 117.35 124.29 3hku s TYR 193 Ca -0.06 0.72 -0.30 0.00 -1.41 0.00 0.00 57.07 56.02 3hku s TYR 193 Cb -0.04 0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 41.25 3hku s TYR 193 CO -0.00 -0.70 0.99 -1.25 -2.51 0.00 0.00 175.55 172.08 3hku s PRO 194 N -2.34 4.51 0.00 -3.49 0.04 -1.26 -1.24 135.00 131.22 3hku s PRO 194 Ca -0.06 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.39 3hku s PRO 194 Cb -0.00 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3hku s PRO 194 CO -0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 3hku n GLY 195 N 2.96 4.86 3.25 0.56 0.00 0.81 -4.82 105.19 112.81 3hku n GLY 195 Ca 0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 3hku n GLY 195 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hku s SER 196 N 1.35 0.33 0.50 1.61 1.04 -1.13 -2.38 113.70 115.03 3hku s SER 196 Ca 0.00 -1.40 -0.23 0.00 0.48 0.00 0.00 55.95 54.80 3hku s SER 196 Cb 0.00 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 3hku s SER 196 CO 0.00 -0.90 1.37 -0.76 0.98 0.00 0.00 173.24 173.93 3hku s LEU 197 N -3.18 3.96 0.00 2.42 1.43 -0.34 -4.49 118.68 118.49 3hku s LEU 197 Ca 0.38 2.79 0.20 0.00 -1.03 0.00 0.00 54.13 56.47 3hku s LEU 197 Cb 0.06 -4.14 0.53 0.00 0.03 0.00 0.00 46.19 42.66 3hku s LEU 197 CO 0.14 -1.37 1.44 0.35 0.23 0.00 0.00 176.35 177.14 3hku n THR 198 N -0.67 0.59 -4.26 5.49 -2.24 -1.26 -4.46 114.28 107.47 3hku n THR 198 Ca 0.08 -0.70 -0.17 0.00 -2.27 0.00 0.00 64.05 60.99 3hku n THR 198 Cb 0.44 0.59 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3hku n THR 198 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hku s THR 199 N -1.41 1.36 0.25 4.28 -4.23 -1.26 -4.65 115.64 109.99 3hku s THR 199 Ca 0.38 -1.84 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3hku s THR 199 Cb 0.21 -1.65 -0.15 0.00 1.34 0.00 0.00 72.50 72.25 3hku s THR 199 CO 0.28 -0.49 1.04 -2.65 -0.54 0.00 0.00 174.62 172.27 3hku n PRO 200 N 0.30 1.28 -0.18 3.99 -0.02 -1.26 0.10 135.00 139.21 3hku n PRO 200 Ca -0.14 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.82 3hku n PRO 200 Cb 0.58 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 32.32 3hku n PRO 200 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hku n PRO 201 N 1.04 1.79 -2.35 0.52 -0.04 -1.26 -5.00 135.00 129.70 3hku n PRO 201 Ca 0.11 -0.85 -0.19 0.00 -0.04 0.00 0.00 63.50 62.54 3hku n PRO 201 Cb 0.30 -1.42 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 3hku n PRO 201 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hku n LEU 202 N 0.16 -1.74 -4.77 1.53 4.77 0.12 -4.90 117.00 112.17 3hku n LEU 202 Ca 0.08 0.06 -0.40 0.00 -0.03 0.00 0.00 56.01 55.72 3hku n LEU 202 Cb 0.34 -2.76 0.01 0.00 -2.33 0.00 0.00 43.42 38.68 3hku n LEU 202 CO 0.07 -0.25 1.05 -0.76 -1.33 0.00 0.00 177.39 176.17 3hku s LEU 203 N -5.85 4.20 -1.23 2.23 1.43 -1.26 -4.42 118.68 113.78 3hku s LEU 203 Ca 0.00 2.86 -0.07 0.00 -1.03 0.00 0.00 54.13 55.89 3hku s LEU 203 Cb 0.00 -3.86 0.20 0.00 0.03 0.00 0.00 46.19 42.56 3hku s LEU 203 CO 0.00 -0.99 1.89 -0.62 0.23 0.00 0.00 176.35 176.85 3hku n GLU 204 N 0.07 4.15 -0.06 1.70 1.02 -1.26 -1.20 120.64 125.07 3hku n GLU 204 Ca 0.04 -3.83 0.01 0.00 -0.02 0.00 0.00 57.16 53.36 3hku n GLU 204 Cb 0.42 -2.74 0.02 0.00 -0.02 0.00 0.00 31.44 29.12 3hku n GLU 204 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hku s VAL 206 N -0.77 3.06 -0.38 0.00 1.01 -1.00 -0.54 120.40 121.78 3hku s VAL 206 Ca 0.04 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 3hku s VAL 206 Cb 0.03 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3hku s VAL 206 CO 0.00 0.52 0.65 -0.89 0.00 0.00 0.00 175.10 175.38 3hku s THR 207 N 0.43 4.86 -0.01 3.92 2.01 0.31 -0.14 115.64 127.03 3hku s THR 207 Ca -0.10 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 3hku s THR 207 Cb -0.16 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 3hku s THR 207 CO 0.05 -0.40 0.79 0.26 -0.69 0.00 0.00 174.62 174.63 3hku s TRP 208 N 2.78 3.66 -0.22 4.92 0.52 -0.37 -2.02 118.94 128.21 3hku s TRP 208 Ca 0.25 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.81 3hku s TRP 208 Cb -0.14 -2.88 0.06 0.00 -1.15 0.00 0.00 33.47 29.36 3hku s TRP 208 CO 0.16 0.14 -0.05 0.42 0.02 0.00 0.00 176.95 177.64 3hku s ILE 209 N 0.51 1.45 -0.20 2.03 1.01 -0.44 -2.36 121.20 123.20 3hku s ILE 209 Ca 0.41 -1.13 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3hku s ILE 209 Cb -0.20 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3hku s ILE 209 CO 0.22 -0.07 -0.07 -0.69 0.00 0.00 0.00 174.94 174.33 3hku s VAL 210 N 1.44 3.20 0.23 2.92 1.01 0.38 -0.14 120.40 129.45 3hku s VAL 210 Ca -0.05 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3hku s VAL 210 Cb -0.18 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 3hku s VAL 210 CO -0.07 0.45 1.12 -0.76 0.00 0.00 0.00 175.10 175.84 3hku s LEU 211 N 1.24 4.52 0.16 3.92 1.43 0.06 -0.74 118.68 129.27 3hku s LEU 211 Ca 0.03 2.21 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 3hku s LEU 211 Cb -0.14 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.51 3hku s LEU 211 CO -0.03 -0.21 1.76 0.50 0.23 0.00 0.00 176.35 178.61 3hku h LYS 212 N 4.46 0.73 -5.65 1.70 3.64 -1.58 -3.43 116.57 116.45 3hku h LYS 212 Ca -0.46 -0.10 -0.61 0.00 -1.27 0.00 0.00 60.65 58.22 3hku h LYS 212 Cb 1.21 -0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 32.78 3hku h LYS 212 CO 0.70 0.59 0.29 -2.00 -2.27 0.00 0.00 179.45 176.75 3hku s GLU 213 N -5.78 3.94 0.64 1.90 2.12 -1.26 -5.02 118.70 115.25 3hku s GLU 213 Ca -0.13 0.47 -0.14 0.00 0.36 0.00 0.00 54.97 55.53 3hku s GLU 213 Cb 0.12 -3.72 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 3hku s GLU 213 CO 0.76 -0.62 1.07 -1.25 -0.54 0.00 0.00 175.26 174.68 3hku s PRO 214 N 2.79 3.05 0.25 4.30 0.04 -1.26 -4.65 135.00 139.52 3hku s PRO 214 Ca 0.29 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 3hku s PRO 214 Cb -0.15 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 3hku s PRO 214 CO 0.12 -1.03 0.59 0.96 0.04 0.00 0.00 177.00 177.69 3hku s ILE 215 N -2.62 4.87 -0.11 0.56 -4.36 0.24 -4.88 121.20 114.90 3hku s ILE 215 Ca 0.63 0.60 -0.13 0.00 -0.26 0.00 0.00 60.65 61.49 3hku s ILE 215 Cb -0.16 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.88 3hku s ILE 215 CO 0.44 -0.08 0.29 -0.44 0.24 0.00 0.00 174.94 175.38 3hku s SER 216 N -2.31 6.52 0.17 4.36 0.01 -1.26 -1.01 113.70 120.18 3hku s SER 216 Ca 0.49 0.62 0.09 0.00 1.31 0.00 0.00 55.95 58.45 3hku s SER 216 Cb -0.11 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.90 3hku s SER 216 CO 0.20 0.23 -0.18 0.68 0.41 0.00 0.00 173.24 174.58 3hku s VAL 217 N -0.26 1.83 0.57 3.43 -7.23 0.17 -3.33 120.40 115.59 3hku s VAL 217 Ca 0.18 -1.95 -0.10 0.00 -1.81 0.00 0.00 61.98 58.30 3hku s VAL 217 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hku s VAL 217 CO 0.06 -0.33 0.96 -0.94 -0.31 0.00 0.00 175.10 174.54 3hku s SER 218 N -2.73 6.27 0.24 4.85 1.04 -1.18 -0.39 113.70 121.81 3hku s SER 218 Ca 0.17 1.30 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 3hku s SER 218 Cb -0.05 -2.41 0.40 0.00 0.10 0.00 0.00 66.02 64.05 3hku s SER 218 CO 0.07 -0.77 1.81 -1.28 0.98 0.00 0.00 173.24 174.05 3hku h SER 219 N -0.08 0.68 -0.63 7.02 0.87 -1.93 -1.66 113.55 117.82 3hku h SER 219 Ca -0.45 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 3hku h SER 219 Cb 1.19 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 3hku h SER 219 CO 0.62 0.39 0.33 -0.33 -0.53 0.00 0.00 176.83 177.31 3hku h GLU 220 N 0.80 0.91 -0.13 2.24 3.07 -1.95 -0.61 114.58 118.90 3hku h GLU 220 Ca 0.40 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 3hku h GLU 220 Cb 0.36 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3hku h GLU 220 CO -0.25 0.69 0.03 1.96 -1.40 0.00 0.00 179.01 180.04 3hku h GLN 221 N 0.91 0.22 -0.35 2.33 4.20 -1.70 -2.83 115.11 117.89 3hku h GLN 221 Ca 0.23 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 3hku h GLN 221 Cb 0.06 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hku h GLN 221 CO -0.03 0.39 -0.22 0.28 -0.67 0.00 0.00 178.83 178.58 3hku h VAL 222 N 0.01 1.27 -0.96 -0.54 2.07 -1.14 -2.73 116.25 114.23 3hku h VAL 222 Ca 0.04 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.33 3hku h VAL 222 Cb 0.27 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 3hku h VAL 222 CO 0.00 0.43 0.62 -0.07 0.02 0.00 0.00 177.57 178.57 3hku h LEU 223 N 0.60 0.97 -0.91 2.57 3.38 -1.10 -1.91 115.31 118.91 3hku h LEU 223 Ca 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3hku h LEU 223 Cb 0.70 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3hku h LEU 223 CO 0.05 0.62 0.02 0.11 0.09 0.00 0.00 178.44 179.33 3hku h LYS 224 N 1.10 0.82 -0.78 1.13 1.57 -1.23 -2.20 116.57 116.98 3hku h LYS 224 Ca 0.41 -0.22 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 3hku h LYS 224 Cb 0.19 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.32 3hku h LYS 224 CO -0.16 0.81 0.39 0.74 -0.57 0.00 0.00 179.45 180.66 3hku h PHE 225 N 0.77 0.70 0.00 -1.35 -1.00 -1.23 -2.62 116.94 112.20 3hku h PHE 225 Ca 0.15 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.96 3hku h PHE 225 Cb 0.43 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.80 3hku h PHE 225 CO 0.02 0.21 0.00 0.54 -1.61 0.00 0.00 178.31 177.47 3hku n ARG 226 N -4.87 0.50 0.01 1.51 1.74 -0.84 -2.23 116.66 112.48 3hku n ARG 226 Ca 0.14 0.04 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 3hku n ARG 226 Cb 0.35 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.41 3hku n ARG 226 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hku n LYS 227 N -1.17 0.09 -0.71 5.56 5.02 -0.99 -4.49 118.16 121.47 3hku n LYS 227 Ca 0.14 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.12 3hku n LYS 227 Cb 0.14 -1.53 0.17 0.00 -0.02 0.00 0.00 35.03 33.79 3hku n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hku s LEU 228 N -3.29 2.68 -0.04 -0.35 1.43 -0.94 -4.85 118.68 113.31 3hku s LEU 228 Ca 0.08 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.37 3hku s LEU 228 Cb 0.16 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 3hku s LEU 228 CO 0.76 -3.16 -0.25 0.20 0.23 0.00 0.00 176.35 174.13 3hku s ASN 229 N -2.69 2.95 0.29 2.29 0.02 0.13 0.02 114.94 117.94 3hku s ASN 229 Ca 0.67 -0.47 0.07 0.00 -1.02 0.00 0.00 52.86 52.10 3hku s ASN 229 Cb -0.23 -0.57 0.44 0.00 0.02 0.00 0.00 41.25 40.91 3hku s ASN 229 CO 0.58 0.27 1.69 -0.26 0.02 0.00 0.00 177.10 179.40 3hku h PHE 230 N 5.80 0.24 -4.35 2.20 0.04 -1.36 -3.36 116.94 116.15 3hku h PHE 230 Ca -0.37 -0.07 -0.49 0.00 2.80 0.00 0.00 57.97 59.84 3hku h PHE 230 Cb 1.15 -0.05 0.10 0.00 2.20 0.00 0.00 35.95 39.35 3hku h PHE 230 CO 0.41 0.62 0.37 0.54 -0.60 0.00 0.00 178.31 179.65 3hku s ASN 231 N -6.88 5.01 0.68 2.17 4.22 -1.26 -4.44 114.94 114.44 3hku s ASN 231 Ca -0.04 1.33 -0.06 0.00 -2.14 0.00 0.00 52.86 51.95 3hku s ASN 231 Cb 0.13 -2.12 0.05 0.00 1.28 0.00 0.00 41.25 40.59 3hku s ASN 231 CO 0.77 -1.64 0.98 -0.83 -2.04 0.00 0.00 177.10 174.34 3hku s GLY 232 N -4.02 1.69 0.26 0.45 0.00 -1.26 -0.92 107.32 103.52 3hku s GLY 232 Ca 0.59 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 44.06 3hku s GLY 232 CO 0.54 -0.56 1.36 -2.21 0.00 0.00 0.00 173.10 172.23 3hku n GLU 233 N -2.84 2.00 -0.05 2.90 2.13 -1.26 -2.14 120.64 121.37 3hku n GLU 233 Ca 0.08 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3hku n GLU 233 Cb 0.60 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.98 3hku n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hku n GLY 234 N 1.85 2.25 3.94 8.31 0.00 -1.26 -5.03 105.19 115.25 3hku n GLY 234 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 3hku n GLY 234 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hku s GLU 235 N -0.22 3.30 0.36 1.61 2.02 -0.91 -5.05 118.70 119.81 3hku s GLU 235 Ca 0.00 -0.28 -0.28 0.00 0.02 0.00 0.00 54.97 54.43 3hku s GLU 235 Cb 0.00 -2.55 -0.11 0.00 0.10 0.00 0.00 34.13 31.57 3hku s GLU 235 CO 0.00 -0.13 1.48 -2.14 0.02 0.00 0.00 175.26 174.49 3hku s PRO 236 N -4.53 4.15 -0.02 0.39 0.02 -1.26 -4.89 135.00 128.85 3hku s PRO 236 Ca 0.45 2.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.69 3hku s PRO 236 Cb -0.10 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 3hku s PRO 236 CO 0.39 -0.50 1.22 -2.00 -0.33 0.00 0.00 177.00 175.78 3hku s GLU 237 N -1.83 4.36 -0.28 5.54 2.12 -1.26 -4.79 118.70 122.56 3hku s GLU 237 Ca 0.54 1.72 0.02 0.00 0.36 0.00 0.00 54.97 57.61 3hku s GLU 237 Cb -0.46 -3.51 0.08 0.00 0.26 0.00 0.00 34.13 30.50 3hku s GLU 237 CO 0.60 -0.41 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.67 3hku s GLU 238 N 1.96 1.69 0.35 4.30 2.02 -1.26 -5.06 118.70 122.69 3hku s GLU 238 Ca 0.57 -1.38 -0.29 0.00 0.02 0.00 0.00 54.97 53.90 3hku s GLU 238 Cb -0.26 -2.81 -0.11 0.00 0.10 0.00 0.00 34.13 31.04 3hku s GLU 238 CO 0.24 -0.73 1.51 1.28 0.02 0.00 0.00 175.26 177.59 3hku n LEU 239 N 4.49 4.60 -4.56 1.80 4.77 -1.26 -1.11 117.00 125.72 3hku n LEU 239 Ca -0.07 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.71 3hku n LEU 239 Cb 0.43 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.88 3hku n LEU 239 CO 0.19 0.13 1.44 -0.32 -1.33 0.00 0.00 177.39 177.50 3hku s MET 240 N -1.61 3.50 0.05 3.23 -2.45 0.10 -4.55 119.30 117.57 3hku s MET 240 Ca 0.57 -0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 53.99 3hku s MET 240 Cb -0.49 -5.19 -0.02 0.00 1.25 0.00 0.00 34.83 30.38 3hku s MET 240 CO 0.59 -2.24 0.07 0.14 1.05 0.00 0.00 175.02 174.63 3hku s VAL 241 N 5.26 0.16 -1.31 10.11 -7.23 -1.26 -4.48 120.40 121.65 3hku s VAL 241 Ca 0.45 -1.33 -0.05 0.00 -1.81 0.00 0.00 61.98 59.25 3hku s VAL 241 Cb -0.01 -1.14 0.01 0.00 0.56 0.00 0.00 36.38 35.80 3hku s VAL 241 CO -0.06 -0.73 1.01 0.47 -0.31 0.00 0.00 175.10 175.48 3hku n ASP 242 N 0.44 -3.65 -2.90 4.85 8.00 0.11 -4.84 116.55 118.55 3hku n ASP 242 Ca -0.17 -0.65 -0.36 0.00 0.71 0.00 0.00 54.79 54.32 3hku n ASP 242 Cb 0.60 -4.77 0.01 0.00 -0.02 0.00 0.00 41.12 36.93 3hku n ASP 242 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hku n ASN 243 N -3.05 7.23 -4.18 -2.24 0.23 -1.09 -4.89 115.26 107.27 3hku n ASN 243 Ca -0.15 -3.60 -0.25 0.00 -0.53 0.00 0.00 54.58 50.05 3hku n ASN 243 Cb 0.62 -1.15 -0.15 0.00 -2.08 0.00 0.00 39.78 37.02 3hku n ASN 243 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 3hku s TRP 244 N -3.24 1.64 0.06 -2.53 1.48 -1.26 -4.53 118.94 110.56 3hku s TRP 244 Ca 0.53 -0.31 -0.25 0.00 -1.06 0.00 0.00 56.10 55.01 3hku s TRP 244 Cb 0.38 -1.06 -0.06 0.00 -1.16 0.00 0.00 33.47 31.58 3hku s TRP 244 CO -0.31 -0.03 0.76 0.50 -4.06 0.00 0.00 176.95 173.81 3hku s ARG 245 N -0.45 4.50 0.87 3.25 3.52 -1.26 -4.99 118.95 124.38 3hku s ARG 245 Ca 0.07 1.06 -0.12 0.00 -0.13 0.00 0.00 55.73 56.62 3hku s ARG 245 Cb -0.07 -3.35 0.11 0.00 -1.56 0.00 0.00 34.95 30.08 3hku s ARG 245 CO -0.01 0.33 1.10 -1.25 -0.81 0.00 0.00 175.30 174.66 3hku s PRO 246 N -0.23 1.51 0.24 5.12 0.04 -1.26 -4.59 135.00 135.84 3hku s PRO 246 Ca 0.38 0.71 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 3hku s PRO 246 Cb -0.21 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.35 3hku s PRO 246 CO 0.23 -2.04 1.35 0.00 0.04 0.00 0.00 177.00 176.59 3hku n ALA 247 N -3.73 0.85 -2.79 8.56 0.00 -1.26 -4.34 120.51 117.80 3hku n ALA 247 Ca 0.07 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 53.68 3hku n ALA 247 Cb 0.56 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 3hku n ALA 247 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hku s GLN 248 N -0.59 2.84 0.26 0.00 -1.52 0.35 -4.94 119.66 116.07 3hku s GLN 248 Ca 0.67 -0.99 -0.31 0.00 -1.95 0.00 0.00 55.36 52.79 3hku s GLN 248 Cb -0.67 -2.56 -0.13 0.00 -0.22 0.00 0.00 33.01 29.43 3hku s GLN 248 CO 0.51 0.44 1.36 -2.30 -0.25 0.00 0.00 175.29 175.06 3hku n PRO 249 N -0.68 2.00 0.06 2.91 -0.02 -1.26 -4.54 135.00 133.47 3hku n PRO 249 Ca -0.08 0.71 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3hku n PRO 249 Cb 0.56 -2.34 0.17 0.00 -0.02 0.00 0.00 33.50 31.87 3hku n PRO 249 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hku h LEU 250 N 3.79 0.37 0.00 2.45 5.85 -1.95 -3.44 115.31 122.39 3hku h LEU 250 Ca -0.45 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.10 3hku h LEU 250 Cb 1.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3hku h LEU 250 CO 0.72 0.77 0.00 0.29 -0.34 0.00 0.00 178.44 179.88 3hku n LYS 251 N -4.00 0.00 -1.87 1.25 5.02 -1.26 -3.51 118.16 113.79 3hku n LYS 251 Ca -0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.88 3hku n LYS 251 Cb 0.52 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.51 3hku n LYS 251 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hku n ASN 252 N 1.11 8.07 -4.11 4.39 3.02 -1.26 -4.90 115.26 121.57 3hku n ASN 252 Ca 0.00 -3.06 -0.11 0.00 -0.03 0.00 0.00 54.58 51.37 3hku n ASN 252 Cb 0.00 -1.38 -0.11 0.00 -0.61 0.00 0.00 39.78 37.68 3hku n ASN 252 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hku s ARG 253 N -0.72 0.68 -0.08 3.52 0.52 -1.23 -5.11 118.95 116.53 3hku s ARG 253 Ca 0.57 -1.07 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 3hku s ARG 253 Cb 0.19 -0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.46 3hku s ARG 253 CO -0.10 0.00 -0.23 -1.14 0.02 0.00 0.00 175.30 173.86 3hku s GLN 254 N -2.86 2.67 -0.17 3.54 0.74 -1.26 -5.07 119.66 117.26 3hku s GLN 254 Ca 0.02 -0.83 -0.16 0.00 0.05 0.00 0.00 55.36 54.43 3hku s GLN 254 Cb -0.01 -2.13 -0.04 0.00 1.10 0.00 0.00 33.01 31.93 3hku s GLN 254 CO -0.03 0.25 0.40 0.42 -0.55 0.00 0.00 175.29 175.77 3hku s ILE 255 N 0.16 5.22 0.01 -2.34 1.01 -1.26 -4.64 121.20 119.36 3hku s ILE 255 Ca -0.12 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 3hku s ILE 255 Cb -0.16 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3hku s ILE 255 CO 0.06 0.30 0.13 -0.54 0.00 0.00 0.00 174.94 174.90 3hku s LYS 256 N 0.93 3.21 -0.03 2.79 1.02 -0.32 -1.55 119.74 125.78 3hku s LYS 256 Ca 0.20 -0.45 0.04 0.00 0.02 0.00 0.00 55.97 55.78 3hku s LYS 256 Cb -0.14 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 3hku s LYS 256 CO 0.08 0.64 -0.13 0.00 -0.92 0.00 0.00 175.35 175.02 3hku s ALA 257 N -1.30 2.74 -1.65 5.17 0.00 0.10 -0.57 121.76 126.25 3hku s ALA 257 Ca 0.27 -1.00 0.30 0.00 0.00 0.00 0.00 51.96 51.53 3hku s ALA 257 Cb -0.12 -0.99 1.54 0.00 0.00 0.00 0.00 23.12 23.55 3hku s ALA 257 CO 0.18 0.57 2.05 -1.13 0.00 0.00 0.00 175.76 177.43 3hku n SER 258 N 2.11 0.15 -3.92 0.00 3.41 0.01 -1.19 113.62 114.19 3hku n SER 258 Ca -0.17 -0.49 -0.08 0.00 -0.26 0.00 0.00 58.87 57.86 3hku n SER 258 Cb 0.52 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 3hku n SER 258 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3hku s PHE 259 N -2.39 0.24 -2.53 7.33 -0.71 -1.26 -4.87 117.98 113.78 3hku s PHE 259 Ca 0.34 -0.68 0.28 0.00 -1.04 0.00 0.00 56.93 55.82 3hku s PHE 259 Cb 0.21 -0.14 0.99 0.00 -1.21 0.00 0.00 43.02 42.86 3hku s PHE 259 CO 0.44 -0.49 1.71 1.63 -1.34 0.00 0.00 175.22 177.17