#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mua s TRP 5 N 0.00 2.19 0.00 4.41 1.48 -1.26 -4.90 118.94 120.86 1mua s TRP 5 Ca 0.00 1.59 0.00 0.00 -1.06 0.00 0.00 56.10 56.63 1mua s TRP 5 Cb 0.00 -3.41 0.00 0.00 -1.16 0.00 0.00 33.47 28.90 1mua s TRP 5 CO 0.00 -2.38 0.00 0.41 -4.06 0.00 0.00 176.95 170.92 1mua n GLY 6 N 0.20 2.52 0.85 3.67 0.00 -0.29 -5.04 105.19 107.10 1mua n GLY 6 Ca 0.13 -0.41 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1mua n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mua n TYR 7 N 0.00 0.00 -2.74 1.61 4.02 -1.26 -3.89 117.16 114.90 1mua n TYR 7 Ca 0.00 -0.87 -0.22 0.00 -0.01 0.00 0.00 57.90 56.79 1mua n TYR 7 Cb 0.00 -0.17 0.10 0.00 -0.02 0.00 0.00 39.34 39.24 1mua n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1mua s GLY 8 N -2.45 1.75 0.27 2.72 0.00 -1.26 -4.77 107.32 103.58 1mua s GLY 8 Ca 0.31 -1.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.10 1mua s GLY 8 CO -0.08 -1.35 1.90 1.70 0.00 0.00 0.00 173.10 175.26 1mua h LYS 9 N -0.32 1.18 -0.02 2.90 1.63 -1.97 0.11 116.57 120.06 1mua h LYS 9 Ca -0.34 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1mua h LYS 9 Cb 1.27 -0.27 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1mua h LYS 9 CO 0.40 0.78 -0.16 0.72 -3.45 0.00 0.00 179.45 177.74 1mua n HIS 10 N -4.46 0.00 -1.81 1.91 8.25 -1.26 -4.53 115.22 113.31 1mua n HIS 10 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1mua n HIS 10 Cb 0.14 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1mua n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1mua n ASN 11 N 0.75 0.00 -3.69 0.41 0.23 -1.14 -5.00 115.26 106.83 1mua n ASN 11 Ca 0.11 -1.43 -0.29 0.00 -0.53 0.00 0.00 54.58 52.44 1mua n ASN 11 Cb 0.50 -0.09 0.22 0.00 -2.08 0.00 0.00 39.78 38.34 1mua n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mua n GLY 12 N 0.00 -2.17 0.37 4.83 0.00 0.36 -1.14 105.19 107.44 1mua n GLY 12 Ca 0.00 -1.60 0.26 0.00 0.00 0.00 0.00 46.02 44.69 1mua n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1mua h PRO 13 N 0.00 0.29 0.00 1.61 0.11 -1.85 0.81 132.00 132.97 1mua h PRO 13 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1mua h PRO 13 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1mua h PRO 13 CO 0.28 0.19 0.00 -0.85 -0.21 0.00 0.00 178.00 177.41 1mua n GLU 14 N -4.90 0.02 -0.00 1.05 0.00 -1.26 -2.76 120.64 112.78 1mua n GLU 14 Ca 0.32 0.36 0.05 0.00 0.00 0.00 0.00 57.16 57.89 1mua n GLU 14 Cb 1.05 -1.54 -0.06 0.00 0.00 0.00 0.00 31.44 30.89 1mua n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1mua n HIS 15 N -1.57 0.00 0.24 -1.84 8.25 0.27 -4.65 115.22 115.92 1mua n HIS 15 Ca 0.02 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.59 1mua n HIS 15 Cb 0.11 -0.05 0.72 0.00 1.12 0.00 0.00 29.99 31.89 1mua n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1mua h TRP 16 N 0.00 0.00 -0.19 4.41 6.55 -1.42 -2.61 115.95 122.69 1mua h TRP 16 Ca 0.00 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.89 1mua h TRP 16 Cb 0.29 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 1mua h TRP 16 CO 0.00 0.00 0.16 1.12 -1.05 0.00 0.00 178.44 178.67 1mua h HIS 17 N 0.00 0.00 -0.65 0.49 2.07 -1.79 -0.27 115.15 115.00 1mua h HIS 17 Ca 0.03 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.47 1mua h HIS 17 Cb 0.13 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.09 1mua h HIS 17 CO 0.00 0.00 0.09 0.87 -3.07 0.00 0.00 177.93 175.82 1mua h LYS 18 N 0.00 1.08 0.00 5.12 1.57 -1.82 -2.69 116.57 119.83 1mua h LYS 18 Ca 0.09 -0.29 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 1mua h LYS 18 Cb 0.41 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 1mua h LYS 18 CO -0.00 1.00 -1.83 -0.25 -0.57 0.00 0.00 179.45 177.80 1mua n ASP 19 N -4.21 0.39 -3.63 0.86 8.00 -1.02 -4.71 116.55 112.23 1mua n ASP 19 Ca 0.04 0.17 -0.28 0.00 0.71 0.00 0.00 54.79 55.43 1mua n ASP 19 Cb 0.30 0.90 -0.11 0.00 -0.02 0.00 0.00 41.12 42.19 1mua n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1mua s PHE 20 N -2.98 2.20 0.55 1.24 0.08 -0.14 -4.98 117.98 113.94 1mua s PHE 20 Ca -0.06 -2.77 0.33 0.00 0.12 0.00 0.00 56.93 54.56 1mua s PHE 20 Cb 0.09 -1.73 1.49 0.00 -0.57 0.00 0.00 43.02 42.31 1mua s PHE 20 CO 0.84 -0.70 1.83 -1.00 -0.10 0.00 0.00 175.22 176.09 1mua h PRO 21 N 5.59 0.00 0.00 0.24 0.13 -1.71 0.72 132.00 136.96 1mua h PRO 21 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1mua h PRO 21 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1mua h PRO 21 CO 0.52 0.00 0.00 1.51 -0.23 0.00 0.00 178.00 179.80 1mua n ILE 22 N -4.11 0.32 0.28 -3.56 3.06 -1.26 -2.22 119.36 111.88 1mua n ILE 22 Ca 0.20 0.08 0.13 0.00 -2.50 0.00 0.00 62.75 60.66 1mua n ILE 22 Cb 1.06 -0.88 0.82 0.00 0.54 0.00 0.00 39.64 41.18 1mua n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mua h ALA 23 N 2.69 1.67 -0.40 1.51 0.00 -1.17 -0.02 119.26 123.53 1mua h ALA 23 Ca 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1mua h ALA 23 Cb 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1mua h ALA 23 CO 0.00 0.01 -0.28 0.36 0.00 0.00 0.00 179.25 179.34 1mua n LYS 24 N -4.06 2.22 -0.60 0.00 2.85 -0.94 -4.97 118.16 112.66 1mua n LYS 24 Ca -0.03 -3.45 -0.14 0.00 -1.05 0.00 0.00 58.31 53.64 1mua n LYS 24 Cb 0.09 -1.90 0.12 0.00 -0.65 0.00 0.00 35.03 32.68 1mua n LYS 24 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mua n GLY 25 N -1.02 -2.32 0.04 2.58 0.00 -0.02 -5.01 105.19 99.44 1mua n GLY 25 Ca 0.34 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.98 1mua n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mua n GLU 26 N -2.96 0.12 -2.73 1.61 -0.58 -1.26 -4.32 120.64 110.52 1mua n GLU 26 Ca 0.08 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 1mua n GLU 26 Cb 0.28 -1.63 0.04 0.00 -0.57 0.00 0.00 31.44 29.57 1mua n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 1mua n ARG 27 N -1.84 1.13 -2.53 3.49 1.85 -1.26 -4.84 116.66 112.65 1mua n ARG 27 Ca 0.06 -2.95 -0.31 0.00 -1.00 0.00 0.00 57.85 53.65 1mua n ARG 27 Cb 0.38 -1.06 -0.03 0.00 -1.05 0.00 0.00 32.46 30.71 1mua n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1mua s GLN 28 N -2.29 3.82 0.15 2.89 -1.52 -1.26 -2.65 119.66 118.81 1mua s GLN 28 Ca 0.27 0.70 0.07 0.00 -1.95 0.00 0.00 55.36 54.45 1mua s GLN 28 Cb 0.43 -2.24 -0.04 0.00 -0.22 0.00 0.00 33.01 30.93 1mua s GLN 28 CO -0.00 -0.21 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.56 1mua s SER 29 N -3.29 2.30 0.90 5.90 0.01 -1.26 -4.68 113.70 113.60 1mua s SER 29 Ca 0.55 -0.89 -0.11 0.00 1.31 0.00 0.00 55.95 56.80 1mua s SER 29 Cb -0.10 -0.10 0.19 0.00 0.21 0.00 0.00 66.02 66.22 1mua s SER 29 CO 0.35 -0.13 1.24 -2.16 0.41 0.00 0.00 173.24 172.94 1mua s PRO 30 N -3.02 0.82 0.24 12.44 0.04 -1.26 -4.63 135.00 139.63 1mua s PRO 30 Ca 0.15 -0.71 0.01 0.00 0.04 0.00 0.00 61.00 60.48 1mua s PRO 30 Cb -0.04 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1mua s PRO 30 CO 0.05 -2.21 0.09 0.14 0.04 0.00 0.00 177.00 175.11 1mua s VAL 31 N -3.69 0.48 -0.10 -0.36 -7.23 -1.26 -0.21 120.40 108.03 1mua s VAL 31 Ca 0.73 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.69 1mua s VAL 31 Cb -0.03 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1mua s VAL 31 CO 0.51 -0.05 0.61 -0.62 -0.31 0.00 0.00 175.10 175.24 1mua s ASP 32 N -3.28 6.84 -0.49 4.85 2.15 -1.26 -2.99 116.67 122.49 1mua s ASP 32 Ca 0.37 1.00 -0.19 0.00 0.43 0.00 0.00 52.55 54.16 1mua s ASP 32 Cb 0.08 -2.36 0.05 0.00 -0.30 0.00 0.00 42.92 40.39 1mua s ASP 32 CO 0.12 -0.09 0.59 -0.63 -0.17 0.00 0.00 175.17 175.00 1mua s ILE 33 N 0.86 4.91 -0.57 4.11 1.01 -0.02 -4.96 121.20 126.55 1mua s ILE 33 Ca 0.32 -0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 1mua s ILE 33 Cb -0.16 -4.25 0.06 0.00 0.01 0.00 0.00 42.46 38.11 1mua s ILE 33 CO 0.14 -0.73 0.84 -0.62 0.00 0.00 0.00 174.94 174.58 1mua s ASP 34 N 2.51 6.25 0.60 3.58 -1.08 -1.26 -0.74 116.67 126.53 1mua s ASP 34 Ca 0.15 -0.75 0.33 0.00 -0.52 0.00 0.00 52.55 51.76 1mua s ASP 34 Cb -0.19 -2.38 1.93 0.00 -1.46 0.00 0.00 42.92 40.82 1mua s ASP 34 CO 0.12 -1.18 2.26 0.71 0.52 0.00 0.00 175.17 177.61 1mua h THR 35 N 5.96 0.40 -0.00 1.71 1.35 -1.95 -1.65 112.91 118.72 1mua h THR 35 Ca -0.27 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1mua h THR 35 Cb 1.08 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1mua h THR 35 CO 1.08 0.01 -0.31 1.41 -0.25 0.00 0.00 175.52 177.46 1mua n HIS 36 N -3.63 0.00 0.19 4.73 8.25 -1.26 -3.80 115.22 119.70 1mua n HIS 36 Ca -0.03 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1mua n HIS 36 Cb 0.10 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 30.83 1mua n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1mua n THR 37 N -1.36 0.00 -1.83 1.59 -1.04 -0.73 -4.98 114.28 105.92 1mua n THR 37 Ca 0.08 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 1mua n THR 37 Cb 0.33 0.46 0.01 0.00 -1.82 0.00 0.00 70.33 69.31 1mua n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mua s ALA 38 N -2.68 3.25 -0.25 2.41 0.00 -0.70 -4.81 121.76 118.99 1mua s ALA 38 Ca -0.02 1.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 1mua s ALA 38 Cb 0.09 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1mua s ALA 38 CO 0.54 -1.14 0.23 0.21 0.00 0.00 0.00 175.76 175.59 1mua s LYS 39 N -2.41 4.05 -0.21 0.00 2.36 0.78 -4.83 119.74 119.48 1mua s LYS 39 Ca 0.60 -0.18 -0.29 0.00 -2.55 0.00 0.00 55.97 53.55 1mua s LYS 39 Cb -0.43 -3.58 -0.02 0.00 -1.05 0.00 0.00 37.83 32.75 1mua s LYS 39 CO 0.56 -0.05 1.42 -0.47 1.55 0.00 0.00 175.35 178.36 1mua s TYR 40 N 1.37 2.48 -0.33 4.03 5.04 -1.26 0.22 117.35 128.89 1mua s TYR 40 Ca 0.10 0.73 -0.02 0.00 -2.44 0.00 0.00 57.07 55.44 1mua s TYR 40 Cb -0.14 -3.81 0.07 0.00 0.35 0.00 0.00 41.96 38.42 1mua s TYR 40 CO 0.07 -2.34 0.06 0.34 -1.34 0.00 0.00 175.55 172.34 1mua s ASP 41 N 3.03 4.99 0.02 4.32 2.15 -0.23 -4.88 116.67 126.06 1mua s ASP 41 Ca 0.62 -1.52 0.19 0.00 0.43 0.00 0.00 52.55 52.28 1mua s ASP 41 Cb -0.23 -1.74 0.79 0.00 -0.30 0.00 0.00 42.92 41.44 1mua s ASP 41 CO 0.23 -0.34 1.60 -0.81 -0.17 0.00 0.00 175.17 175.68 1mua n PRO 42 N 4.60 0.02 0.02 4.34 -0.04 -1.26 -2.27 135.00 140.40 1mua n PRO 42 Ca -0.09 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1mua n PRO 42 Cb 0.43 -1.53 0.48 0.00 -0.04 0.00 0.00 33.50 32.83 1mua n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mua n SER 43 N -1.57 0.26 -4.67 3.54 3.41 -1.26 -4.85 113.62 108.48 1mua n SER 43 Ca 0.04 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.55 1mua n SER 43 Cb 0.22 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1mua n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1mua s LEU 44 N -3.28 4.30 0.41 1.04 1.02 -0.96 -5.02 118.68 116.19 1mua s LEU 44 Ca 0.12 2.13 -0.10 0.00 0.02 0.00 0.00 54.13 56.30 1mua s LEU 44 Cb 0.17 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 42.77 1mua s LEU 44 CO 0.59 -0.82 0.77 -0.54 0.02 0.00 0.00 176.35 176.38 1mua s LYS 45 N 3.18 3.76 0.63 1.70 1.02 -1.25 -5.00 119.74 123.78 1mua s LYS 45 Ca 0.67 0.45 -0.18 0.00 0.02 0.00 0.00 55.97 56.93 1mua s LYS 45 Cb -0.31 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.59 1mua s LYS 45 CO 0.26 -0.05 1.23 -2.14 -0.92 0.00 0.00 175.35 173.73 1mua s PRO 46 N -3.92 2.73 0.52 -1.68 0.02 -1.26 -2.69 135.00 128.72 1mua s PRO 46 Ca 0.51 1.87 -0.19 0.00 0.02 0.00 0.00 61.00 63.20 1mua s PRO 46 Cb -0.10 -1.89 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1mua s PRO 46 CO 0.32 -1.41 1.05 -0.51 -0.33 0.00 0.00 177.00 176.13 1mua s LEU 47 N -4.34 3.76 -0.26 -5.54 1.43 -1.26 -0.90 118.68 111.56 1mua s LEU 47 Ca 0.78 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.83 1mua s LEU 47 Cb -0.32 -4.56 0.07 0.00 0.03 0.00 0.00 46.19 41.42 1mua s LEU 47 CO 0.37 -0.91 -0.02 -0.55 0.23 0.00 0.00 176.35 175.46 1mua s SER 48 N -2.12 4.07 -0.27 2.29 0.15 0.71 -4.86 113.70 113.67 1mua s SER 48 Ca 0.67 -1.42 -0.08 0.00 0.70 0.00 0.00 55.95 55.82 1mua s SER 48 Cb -0.17 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.88 1mua s SER 48 CO 0.24 -0.28 0.10 -0.69 1.20 0.00 0.00 173.24 173.81 1mua s VAL 49 N 1.32 4.40 -0.52 4.45 1.01 -1.26 -1.19 120.40 128.61 1mua s VAL 49 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1mua s VAL 49 Cb -0.19 -3.13 0.13 0.00 0.00 0.00 0.00 36.38 33.19 1mua s VAL 49 CO -0.09 0.24 0.26 -0.44 0.00 0.00 0.00 175.10 175.07 1mua s SER 50 N 1.61 4.29 0.00 3.32 0.01 0.27 -4.92 113.70 118.29 1mua s SER 50 Ca 0.06 -3.02 0.06 0.00 1.31 0.00 0.00 55.95 54.36 1mua s SER 50 Cb -0.16 -1.61 0.14 0.00 0.21 0.00 0.00 66.02 64.60 1mua s SER 50 CO 0.05 -0.23 1.01 -1.22 0.41 0.00 0.00 173.24 173.26 1mua n TYR 51 N 3.10 0.19 0.26 2.43 4.01 -1.26 -0.63 117.16 125.26 1mua n TYR 51 Ca 0.05 -0.34 0.10 0.00 -0.16 0.00 0.00 57.90 57.55 1mua n TYR 51 Cb 0.32 -0.02 0.69 0.00 -0.31 0.00 0.00 39.34 40.02 1mua n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1mua h ASP 52 N 1.22 0.00 -0.42 7.72 2.03 -1.91 -2.29 116.42 122.77 1mua h ASP 52 Ca 0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 1mua h ASP 52 Cb 0.52 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.96 1mua h ASP 52 CO 0.00 0.04 0.06 1.67 -1.03 0.00 0.00 179.24 179.97 1mua n GLN 53 N -4.28 2.90 -1.73 4.15 -0.06 -1.24 -5.02 117.38 112.09 1mua n GLN 53 Ca -0.03 -3.00 -0.40 0.00 -2.00 0.00 0.00 57.00 51.58 1mua n GLN 53 Cb 0.12 -1.95 0.03 0.00 -4.06 0.00 0.00 30.24 24.38 1mua n GLN 53 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1mua n ALA 54 N -0.56 1.63 -3.79 1.69 0.00 -0.86 -4.66 120.51 113.97 1mua n ALA 54 Ca 0.30 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.64 1mua n ALA 54 Cb 1.07 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 18.04 1mua n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mua s THR 55 N -1.24 1.36 0.27 0.00 2.01 -1.26 -4.91 115.64 111.87 1mua s THR 55 Ca 0.65 -2.02 -0.29 0.00 0.31 0.00 0.00 61.69 60.34 1mua s THR 55 Cb -0.45 -2.00 -0.09 0.00 0.01 0.00 0.00 72.50 69.97 1mua s THR 55 CO 0.55 -0.74 0.97 -0.94 -0.69 0.00 0.00 174.62 173.77 1mua s SER 56 N 1.01 7.50 -0.09 3.53 1.04 -1.26 -0.52 113.70 124.91 1mua s SER 56 Ca 0.13 1.99 -0.04 0.00 0.48 0.00 0.00 55.95 58.50 1mua s SER 56 Cb -0.20 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 1mua s SER 56 CO -0.13 0.05 -0.11 0.18 0.98 0.00 0.00 173.24 174.21 1mua n LEU 57 N 1.23 0.63 -3.83 2.42 4.77 0.30 -3.99 117.00 118.53 1mua n LEU 57 Ca -0.01 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 1mua n LEU 57 Cb 0.47 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1mua n LEU 57 CO 0.49 0.18 0.59 0.00 -1.33 0.00 0.00 177.39 177.32 1mua s ARG 58 N -2.16 1.82 -0.03 3.23 1.04 -1.22 -0.79 118.95 120.84 1mua s ARG 58 Ca -0.12 -1.11 0.03 0.00 -1.04 0.00 0.00 55.73 53.49 1mua s ARG 58 Cb 0.05 0.55 0.00 0.00 -2.04 0.00 0.00 34.95 33.51 1mua s ARG 58 CO 0.15 -0.84 -0.11 -1.50 -0.04 0.00 0.00 175.30 172.96 1mua s ILE 59 N -2.89 0.94 -0.02 4.99 2.07 0.14 -0.87 121.20 125.55 1mua s ILE 59 Ca 0.15 -0.45 -0.03 0.00 -1.41 0.00 0.00 60.65 58.91 1mua s ILE 59 Cb -0.04 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.73 1mua s ILE 59 CO 0.08 0.28 0.07 -1.48 -1.91 0.00 0.00 174.94 171.98 1mua s LEU 60 N 0.10 1.77 -0.48 8.50 2.34 -0.60 -0.48 118.68 129.82 1mua s LEU 60 Ca -0.02 -0.00 -0.21 0.00 0.06 0.00 0.00 54.13 53.95 1mua s LEU 60 Cb -0.09 0.30 0.04 0.00 -0.56 0.00 0.00 46.19 45.89 1mua s LEU 60 CO 0.01 -0.12 0.72 0.21 -1.06 0.00 0.00 176.35 176.10 1mua s ASN 61 N -0.41 6.30 0.00 1.48 3.84 -0.37 -0.79 114.94 124.99 1mua s ASN 61 Ca -0.05 -0.50 0.19 0.00 0.21 0.00 0.00 52.86 52.71 1mua s ASN 61 Cb -0.03 -2.34 0.59 0.00 -0.55 0.00 0.00 41.25 38.92 1mua s ASN 61 CO 0.00 -0.92 1.46 -0.46 -2.79 0.00 0.00 177.10 174.39 1mua n ASN 62 N 6.53 2.19 0.00 -4.21 0.23 -0.71 -0.17 115.26 119.12 1mua n ASN 62 Ca -0.02 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 1mua n ASN 62 Cb 0.47 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1mua n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mua n GLY 63 N 1.22 1.20 0.00 4.83 0.00 -1.26 -4.78 105.19 106.40 1mua n GLY 63 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1mua n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1mua n HIS 64 N -2.00 0.00 -3.50 1.61 1.44 -1.26 -4.67 115.22 106.84 1mua n HIS 64 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1mua n HIS 64 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1mua n HIS 64 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1mua n ALA 65 N -1.00 -1.09 -3.26 1.59 0.00 -1.26 -4.89 120.51 110.60 1mua n ALA 65 Ca 0.00 -0.63 -0.32 0.00 0.00 0.00 0.00 53.44 52.49 1mua n ALA 65 Cb 0.08 0.46 -0.17 0.00 0.00 0.00 0.00 19.45 19.82 1mua n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1mua s PHE 66 N -4.95 2.59 -0.12 0.00 -0.12 -1.26 -1.73 117.98 112.39 1mua s PHE 66 Ca 0.10 -1.05 -0.03 0.00 -0.05 0.00 0.00 56.93 55.90 1mua s PHE 66 Cb -0.02 -1.73 -0.03 0.00 -0.63 0.00 0.00 43.02 40.60 1mua s PHE 66 CO 0.05 -0.43 -0.01 -0.80 -0.05 0.00 0.00 175.22 173.99 1mua s ASN 67 N 0.39 5.11 -0.27 1.98 0.02 0.03 -4.34 114.94 117.86 1mua s ASN 67 Ca -0.17 0.05 -0.09 0.00 -1.02 0.00 0.00 52.86 51.62 1mua s ASN 67 Cb -0.18 -1.59 -0.04 0.00 0.02 0.00 0.00 41.25 39.46 1mua s ASN 67 CO 0.08 0.29 0.14 -0.69 0.02 0.00 0.00 177.10 176.94 1mua s VAL 68 N -0.37 4.90 0.04 1.60 1.01 -0.43 -1.56 120.40 125.58 1mua s VAL 68 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1mua s VAL 68 Cb -0.12 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1mua s VAL 68 CO 0.02 0.29 0.19 -1.61 0.00 0.00 0.00 175.10 173.99 1mua s GLU 69 N 1.67 3.39 0.13 2.72 2.02 -0.05 -1.10 118.70 127.47 1mua s GLU 69 Ca 0.07 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 54.71 1mua s GLU 69 Cb -0.16 -3.03 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 1mua s GLU 69 CO 0.08 0.63 -0.17 -0.06 0.02 0.00 0.00 175.26 175.76 1mua s PHE 70 N -1.43 1.59 -0.29 1.61 0.40 -0.63 -0.54 117.98 118.69 1mua s PHE 70 Ca 0.32 -0.50 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1mua s PHE 70 Cb -0.13 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.58 1mua s PHE 70 CO 0.24 0.21 1.23 0.34 0.70 0.00 0.00 175.22 177.94 1mua s ASP 71 N -2.38 6.78 -0.25 1.36 2.15 0.32 -4.82 116.67 119.82 1mua s ASP 71 Ca 0.10 1.23 0.10 0.00 0.43 0.00 0.00 52.55 54.40 1mua s ASP 71 Cb -0.06 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.47 1mua s ASP 71 CO 0.04 -0.98 1.32 -0.90 -0.17 0.00 0.00 175.17 174.48 1mua n ASP 72 N 7.27 2.28 -0.04 -0.34 5.75 -1.26 -4.65 116.55 125.57 1mua n ASP 72 Ca 0.14 -3.86 0.14 0.00 -0.01 0.00 0.00 54.79 51.20 1mua n ASP 72 Cb 0.46 -0.56 0.56 0.00 -1.03 0.00 0.00 41.12 40.55 1mua n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1mua n SER 73 N -1.09 0.26 -3.92 -1.12 3.41 -1.26 -4.88 113.62 105.02 1mua n SER 73 Ca 0.27 -0.09 -0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1mua n SER 73 Cb 0.84 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.55 1mua n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1mua s GLN 74 N -2.77 1.17 -1.24 4.33 -0.21 -1.26 -5.07 119.66 114.60 1mua s GLN 74 Ca 0.20 -1.11 -0.18 0.00 0.02 0.00 0.00 55.36 54.29 1mua s GLN 74 Cb 0.19 0.40 -0.01 0.00 1.00 0.00 0.00 33.01 34.59 1mua s GLN 74 CO 0.54 -0.44 2.00 -0.25 -2.12 0.00 0.00 175.29 175.02 1mua n ASP 75 N -0.22 3.76 -0.08 5.90 8.00 -1.26 -4.57 116.55 128.08 1mua n ASP 75 Ca -0.08 -2.81 -0.22 0.00 0.71 0.00 0.00 54.79 52.39 1mua n ASP 75 Cb 0.63 -1.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.03 1mua n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mua n LYS 76 N 7.17 0.61 -3.91 -1.24 5.02 -1.26 -4.80 118.16 119.75 1mua n LYS 76 Ca 0.50 0.48 -0.30 0.00 -2.02 0.00 0.00 58.31 56.97 1mua n LYS 76 Cb 0.42 -1.72 -0.15 0.00 -0.02 0.00 0.00 35.03 33.55 1mua n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mua s ALA 77 N -2.42 1.95 0.13 7.82 0.00 -1.26 -3.52 121.76 124.46 1mua s ALA 77 Ca -0.28 -1.50 0.05 0.00 0.00 0.00 0.00 51.96 50.23 1mua s ALA 77 Cb 0.07 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1mua s ALA 77 CO 0.63 -1.32 -0.11 0.14 0.00 0.00 0.00 175.76 175.10 1mua s VAL 78 N 1.40 1.19 -0.08 0.00 -7.23 0.20 -0.56 120.40 115.32 1mua s VAL 78 Ca -0.01 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.30 1mua s VAL 78 Cb -0.19 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1mua s VAL 78 CO -0.09 -0.63 -0.23 -0.22 -0.31 0.00 0.00 175.10 173.62 1mua s LEU 79 N -2.87 2.15 0.32 1.32 0.20 0.10 -0.56 118.68 119.34 1mua s LEU 79 Ca 0.13 -0.51 -0.09 0.00 0.69 0.00 0.00 54.13 54.35 1mua s LEU 79 Cb -0.00 -1.41 0.01 0.00 -0.43 0.00 0.00 46.19 44.36 1mua s LEU 79 CO 0.01 0.21 0.56 -1.59 -0.29 0.00 0.00 176.35 175.25 1mua s LYS 80 N 0.05 1.87 2.40 1.98 -2.85 -0.33 -1.62 119.74 121.24 1mua s LYS 80 Ca -0.10 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 53.37 1mua s LYS 80 Cb -0.15 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1mua s LYS 80 CO 0.06 -0.80 0.00 0.41 0.10 0.00 0.00 175.35 175.11 1mua n GLY 81 N -0.50 -0.65 7.00 0.59 0.00 -1.26 -0.20 105.19 110.17 1mua n GLY 81 Ca -0.02 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1mua n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mua n GLY 82 N 0.00 3.07 0.00 -0.02 0.00 -0.08 -1.64 105.19 106.52 1mua n GLY 82 Ca 0.00 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1mua n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mua n PRO 83 N 14.00 0.59 -3.05 1.61 -0.04 -1.26 -3.96 135.00 142.89 1mua n PRO 83 Ca 0.00 -0.01 -0.30 0.00 -0.04 0.00 0.00 63.50 63.15 1mua n PRO 83 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 1mua n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mua s LEU 84 N -2.42 3.94 -0.14 1.53 1.43 -0.65 -5.08 118.68 117.30 1mua s LEU 84 Ca 0.34 1.04 0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1mua s LEU 84 Cb 0.21 -3.89 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1mua s LEU 84 CO 0.44 -0.30 -0.21 -1.81 0.23 0.00 0.00 176.35 174.70 1mua s ASP 85 N -2.96 3.23 0.00 2.29 1.01 -1.26 -4.39 116.67 114.59 1mua s ASP 85 Ca 0.50 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 53.19 1mua s ASP 85 Cb -0.10 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1mua s ASP 85 CO 0.28 0.09 0.00 0.61 0.21 0.00 0.00 175.17 176.37 1mua n GLY 86 N 3.97 -2.92 3.72 0.21 0.00 -1.26 -4.96 105.19 103.95 1mua n GLY 86 Ca -0.20 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1mua n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mua s THR 87 N -0.80 4.77 -0.11 2.61 2.01 -1.26 -4.61 115.64 118.25 1mua s THR 87 Ca 0.00 -0.06 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1mua s THR 87 Cb 0.00 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1mua s THR 87 CO 0.00 0.56 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.95 1mua s TYR 88 N -0.50 2.54 -0.05 4.92 1.51 -0.64 -1.54 117.35 123.59 1mua s TYR 88 Ca 0.10 -1.12 -0.14 0.00 -1.01 0.00 0.00 57.07 54.89 1mua s TYR 88 Cb -0.12 -1.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.97 1mua s TYR 88 CO 0.02 -0.48 0.37 1.03 -1.11 0.00 0.00 175.55 175.39 1mua s ARG 89 N 0.52 3.99 0.12 -0.62 0.52 -0.34 -0.72 118.95 122.42 1mua s ARG 89 Ca -0.15 0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 55.07 1mua s ARG 89 Cb -0.17 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 31.95 1mua s ARG 89 CO 0.05 0.55 1.27 -1.17 0.02 0.00 0.00 175.30 176.02 1mua s LEU 90 N -0.58 4.40 -0.09 2.53 2.96 0.27 -1.38 118.68 126.78 1mua s LEU 90 Ca 0.22 2.21 0.01 0.00 -0.22 0.00 0.00 54.13 56.35 1mua s LEU 90 Cb -0.15 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.88 1mua s LEU 90 CO 0.11 -0.51 -0.08 0.00 -1.32 0.00 0.00 176.35 174.55 1mua n ILE 91 N 3.42 0.52 -3.51 6.68 3.06 -0.36 -4.60 119.36 124.56 1mua n ILE 91 Ca 0.08 -0.21 -0.09 0.00 -2.50 0.00 0.00 62.75 60.04 1mua n ILE 91 Cb 0.44 -0.82 -0.02 0.00 0.54 0.00 0.00 39.64 39.78 1mua n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1mua s GLN 92 N -2.18 1.02 0.13 9.51 1.03 -1.22 -1.61 119.66 126.35 1mua s GLN 92 Ca -0.12 -0.40 0.05 0.00 0.04 0.00 0.00 55.36 54.93 1mua s GLN 92 Cb 0.03 0.45 -0.04 0.00 0.03 0.00 0.00 33.01 33.49 1mua s GLN 92 CO 0.21 -0.45 -0.13 -0.59 -2.54 0.00 0.00 175.29 171.80 1mua s PHE 93 N -3.36 1.36 0.31 9.60 -0.12 -0.26 -0.62 117.98 124.89 1mua s PHE 93 Ca 0.04 -0.60 -0.16 0.00 -0.05 0.00 0.00 56.93 56.16 1mua s PHE 93 Cb -0.01 -0.70 0.02 0.00 -0.63 0.00 0.00 43.02 41.70 1mua s PHE 93 CO -0.09 0.13 0.66 -3.38 -0.05 0.00 0.00 175.22 172.49 1mua s HIS 94 N -2.45 0.15 0.18 3.49 -3.43 -0.87 -1.32 115.29 111.04 1mua s HIS 94 Ca 0.11 -0.63 0.05 0.00 -0.80 0.00 0.00 55.06 53.78 1mua s HIS 94 Cb -0.03 0.55 -0.05 0.00 -1.43 0.00 0.00 32.58 31.63 1mua s HIS 94 CO 0.02 -1.27 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.34 1mua s PHE 95 N -3.37 1.41 -0.07 0.38 0.40 -1.26 -1.05 117.98 114.42 1mua s PHE 95 Ca 0.17 -0.76 0.03 0.00 -0.60 0.00 0.00 56.93 55.77 1mua s PHE 95 Cb -0.04 -0.73 0.01 0.00 0.51 0.00 0.00 43.02 42.76 1mua s PHE 95 CO 0.10 0.10 -0.16 -1.01 0.70 0.00 0.00 175.22 174.95 1mua s HIS 96 N -3.29 1.77 0.12 0.36 3.76 -0.48 -4.76 115.29 112.78 1mua s HIS 96 Ca 0.20 -0.63 -0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1mua s HIS 96 Cb 0.03 -1.23 -0.04 0.00 1.11 0.00 0.00 32.58 32.45 1mua s HIS 96 CO 0.03 -0.27 0.06 1.67 -0.85 0.00 0.00 174.74 175.38 1mua s TRP 97 N 0.41 0.79 0.47 1.40 -2.14 -1.23 -0.94 118.94 117.70 1mua s TRP 97 Ca -0.12 -1.19 0.07 0.00 2.66 0.00 0.00 56.10 57.52 1mua s TRP 97 Cb -0.15 -0.44 0.01 0.00 -3.10 0.00 0.00 33.47 29.78 1mua s TRP 97 CO 0.04 -0.52 0.39 0.20 -2.66 0.00 0.00 176.95 174.41 1mua s GLY 98 N -3.03 2.22 0.35 3.67 0.00 -1.16 -1.46 107.32 107.91 1mua s GLY 98 Ca 0.22 -1.70 0.23 0.00 0.00 0.00 0.00 44.72 43.47 1mua s GLY 98 CO 0.00 -1.81 1.53 1.48 0.00 0.00 0.00 173.10 174.30 1mua h SER 99 N 0.91 0.00 -4.55 1.64 4.64 -1.90 -3.39 113.55 110.90 1mua h SER 99 Ca -0.39 -0.01 -0.24 0.00 -0.47 0.00 0.00 61.79 60.68 1mua h SER 99 Cb 1.28 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.22 1mua h SER 99 CO 0.58 0.01 -0.69 -0.76 -0.87 0.00 0.00 176.83 175.09 1mua s LEU 100 N -5.71 2.46 0.62 5.97 2.01 -1.26 -5.06 118.68 117.71 1mua s LEU 100 Ca 0.06 -1.03 0.40 0.00 0.01 0.00 0.00 54.13 53.58 1mua s LEU 100 Cb 0.07 -0.09 1.98 0.00 0.01 0.00 0.00 46.19 48.16 1mua s LEU 100 CO 0.68 -0.47 2.21 0.44 1.01 0.00 0.00 176.35 180.22 1mua h ASP 101 N 2.92 0.00 -0.05 2.29 3.32 -1.92 -2.51 116.42 120.48 1mua h ASP 101 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1mua h ASP 101 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1mua h ASP 101 CO 0.64 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1mua n GLY 102 N -0.59 -0.41 3.34 2.75 0.00 -1.26 -3.53 105.19 105.49 1mua n GLY 102 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1mua n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mua s GLN 103 N -1.95 1.09 0.00 1.61 -2.07 -0.94 -4.72 119.66 112.69 1mua s GLN 103 Ca 0.36 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 53.27 1mua s GLN 103 Cb 0.18 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.59 1mua s GLN 103 CO 0.30 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.24 1mua n GLY 104 N -0.19 2.16 3.80 2.60 0.00 -1.02 -3.26 105.19 109.28 1mua n GLY 104 Ca -0.16 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1mua n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mua s SER 105 N 0.00 5.00 -0.25 1.61 1.04 -0.48 -3.55 113.70 117.08 1mua s SER 105 Ca 0.00 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.86 1mua s SER 105 Cb 0.00 -2.40 -0.11 0.00 0.10 0.00 0.00 66.02 63.61 1mua s SER 105 CO 0.00 -1.68 -0.31 -0.62 0.98 0.00 0.00 173.24 171.60 1mua n GLU 106 N -3.28 0.57 -2.25 4.02 1.02 -1.26 -4.85 120.64 114.62 1mua n GLU 106 Ca 0.08 0.28 -0.33 0.00 -0.02 0.00 0.00 57.16 57.17 1mua n GLU 106 Cb 0.54 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 1mua n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1mua s HIS 107 N -2.58 3.18 0.14 -0.32 3.76 -1.26 -4.44 115.29 113.78 1mua s HIS 107 Ca -0.36 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.13 1mua s HIS 107 Cb 0.12 -2.92 -0.04 0.00 1.11 0.00 0.00 32.58 30.85 1mua s HIS 107 CO 0.48 -0.77 -0.16 0.95 -0.85 0.00 0.00 174.74 174.39 1mua s THR 108 N -2.47 1.56 -0.24 1.30 -4.23 -1.16 -4.69 115.64 105.70 1mua s THR 108 Ca 0.62 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.33 1mua s THR 108 Cb -0.13 -1.69 0.05 0.00 1.34 0.00 0.00 72.50 72.07 1mua s THR 108 CO 0.33 -0.37 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.24 1mua s VAL 109 N -2.11 1.97 -1.49 2.29 1.01 -0.72 -0.84 120.40 120.50 1mua s VAL 109 Ca 0.12 -1.43 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1mua s VAL 109 Cb -0.05 -2.09 0.07 0.00 0.00 0.00 0.00 36.38 34.31 1mua s VAL 109 CO 0.05 0.02 0.94 0.47 0.00 0.00 0.00 175.10 176.58 1mua n ASP 110 N 4.52 -4.22 0.00 3.32 8.00 0.08 -0.24 116.55 128.01 1mua n ASP 110 Ca -0.14 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.57 1mua n ASP 110 Cb 0.44 -3.93 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 1mua n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mua n LYS 111 N -4.63 -0.62 -2.63 -1.24 4.76 -1.26 -4.98 118.16 107.56 1mua n LYS 111 Ca -0.02 0.16 -0.41 0.00 -2.87 0.00 0.00 58.31 55.17 1mua n LYS 111 Cb 0.55 -3.84 -0.04 0.00 -1.84 0.00 0.00 35.03 29.86 1mua n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1mua s LYS 112 N -0.83 4.61 -0.14 1.97 2.20 0.67 -5.01 119.74 123.20 1mua s LYS 112 Ca 0.00 1.56 -0.04 0.00 -0.36 0.00 0.00 55.97 57.12 1mua s LYS 112 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1mua s LYS 112 CO 0.00 0.06 0.01 0.15 -0.36 0.00 0.00 175.35 175.20 1mua s LYS 113 N 0.28 3.59 0.39 4.03 1.02 -1.26 -1.76 119.74 126.02 1mua s LYS 113 Ca 0.50 -0.43 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1mua s LYS 113 Cb -0.25 -2.98 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1mua s LYS 113 CO 0.31 0.38 0.58 0.71 -0.92 0.00 0.00 175.35 176.41 1mua s TYR 114 N 0.01 3.26 0.31 3.18 1.51 -1.26 -4.68 117.35 119.67 1mua s TYR 114 Ca 0.03 0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 1mua s TYR 114 Cb -0.13 -2.10 0.48 0.00 -0.11 0.00 0.00 41.96 40.10 1mua s TYR 114 CO 0.02 -0.13 1.93 0.00 -1.11 0.00 0.00 175.55 176.26 1mua h ALA 115 N 0.64 1.38 -2.94 3.71 0.00 -1.48 -1.18 119.26 119.39 1mua h ALA 115 Ca -0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1mua h ALA 115 Cb 1.25 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1mua h ALA 115 CO 0.57 0.51 0.08 0.00 0.00 0.00 0.00 179.25 180.41 1mua s ALA 116 N -5.59 -0.56 -0.04 0.00 0.00 -1.17 -2.98 121.76 111.41 1mua s ALA 116 Ca -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 1mua s ALA 116 Cb 0.17 0.92 0.03 0.00 0.00 0.00 0.00 23.12 24.24 1mua s ALA 116 CO 0.79 -0.94 0.09 -2.00 0.00 0.00 0.00 175.76 173.69 1mua s GLU 117 N -3.48 0.02 -0.19 0.00 2.12 -0.12 -1.37 118.70 115.67 1mua s GLU 117 Ca 0.18 0.30 -0.13 0.00 0.36 0.00 0.00 54.97 55.67 1mua s GLU 117 Cb -0.03 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.07 1mua s GLU 117 CO 0.10 -0.18 0.27 -1.17 -0.54 0.00 0.00 175.26 173.73 1mua s LEU 118 N 1.24 4.19 -0.27 2.70 2.96 0.39 -1.39 118.68 128.50 1mua s LEU 118 Ca -0.08 0.38 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1mua s LEU 118 Cb -0.12 -2.31 0.03 0.00 0.50 0.00 0.00 46.19 44.29 1mua s LEU 118 CO -0.04 0.06 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.02 1mua s HIS 119 N 0.80 3.13 -0.35 5.38 3.76 -0.21 -1.01 115.29 126.79 1mua s HIS 119 Ca 0.14 -1.54 -0.13 0.00 -0.15 0.00 0.00 55.06 53.37 1mua s HIS 119 Cb -0.13 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 1mua s HIS 119 CO 0.04 -0.72 0.26 -0.51 -0.85 0.00 0.00 174.74 172.95 1mua s LEU 120 N 1.34 4.56 -0.14 0.89 1.43 -0.33 -2.06 118.68 124.36 1mua s LEU 120 Ca -0.01 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 1mua s LEU 120 Cb -0.18 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.84 1mua s LEU 120 CO -0.02 -0.26 0.25 -0.69 0.23 0.00 0.00 176.35 175.86 1mua s VAL 121 N 1.75 5.32 0.03 -1.59 1.01 0.21 -1.54 120.40 125.59 1mua s VAL 121 Ca 0.07 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.54 1mua s VAL 121 Cb -0.17 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1mua s VAL 121 CO 0.11 0.46 -0.09 -1.00 0.00 0.00 0.00 175.10 174.58 1mua s HIS 122 N 0.02 0.77 0.10 5.22 3.76 -0.07 -1.23 115.29 123.86 1mua s HIS 122 Ca 0.16 -0.38 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 1mua s HIS 122 Cb -0.13 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1mua s HIS 122 CO 0.04 -0.03 -0.20 1.67 -0.85 0.00 0.00 174.74 175.36 1mua s TRP 123 N -0.98 2.49 -0.14 1.40 1.48 -0.48 -1.43 118.94 121.27 1mua s TRP 123 Ca -0.05 -0.29 -0.29 0.00 -1.06 0.00 0.00 56.10 54.41 1mua s TRP 123 Cb -0.08 -1.35 -0.04 0.00 -1.16 0.00 0.00 33.47 30.85 1mua s TRP 123 CO 0.01 0.34 1.59 1.21 -4.06 0.00 0.00 176.95 176.04 1mua s ASN 124 N -1.98 6.58 0.55 -2.66 3.84 0.07 -1.20 114.94 120.15 1mua s ASN 124 Ca 0.16 1.92 0.31 0.00 0.21 0.00 0.00 52.86 55.46 1mua s ASN 124 Cb -0.10 -2.53 1.63 0.00 -0.55 0.00 0.00 41.25 39.69 1mua s ASN 124 CO 0.08 -1.04 2.12 0.71 -2.79 0.00 0.00 177.10 176.18 1mua h THR 125 N 5.80 0.40 0.00 -5.21 1.35 -1.63 -1.84 112.91 111.79 1mua h THR 125 Ca -0.35 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1mua h THR 125 Cb 1.16 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1mua h THR 125 CO 0.97 0.07 0.00 2.29 -0.25 0.00 0.00 175.52 178.61 1mua n LYS 127 N -3.50 0.03 -0.02 4.72 2.85 -1.26 -2.05 118.16 118.93 1mua n LYS 127 Ca -0.02 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.81 1mua n LYS 127 Cb 0.21 -1.58 0.40 0.00 -0.65 0.00 0.00 35.03 33.40 1mua n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1mua n TYR 128 N -1.64 0.05 0.00 5.58 4.01 -0.69 -4.98 117.16 119.49 1mua n TYR 128 Ca 0.01 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1mua n TYR 128 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1mua n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1mua n GLY 129 N 1.22 1.51 3.43 2.72 0.00 -0.87 -4.52 105.19 108.68 1mua n GLY 129 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1mua n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1mua s ASP 130 N 0.00 -0.28 0.14 1.61 1.47 -1.26 -5.06 116.67 113.28 1mua s ASP 130 Ca 0.00 -0.37 -0.17 0.00 1.18 0.00 0.00 52.55 53.19 1mua s ASP 130 Cb 0.00 0.54 -0.01 0.00 -0.34 0.00 0.00 42.92 43.10 1mua s ASP 130 CO 0.00 -0.96 1.79 0.15 0.68 0.00 0.00 175.17 176.82 1mua h PHE 131 N 2.24 0.44 -0.97 2.11 3.04 -1.94 -1.63 116.94 120.23 1mua h PHE 131 Ca -0.31 0.01 0.08 0.00 3.98 0.00 0.00 57.97 61.72 1mua h PHE 131 Cb 1.26 -0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.56 1mua h PHE 131 CO 0.33 0.30 0.61 0.78 -2.02 0.00 0.00 178.31 178.31 1mua h GLY 132 N 0.45 1.51 0.88 2.40 0.00 -1.97 -2.11 103.07 104.23 1mua h GLY 132 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1mua h GLY 132 CO -0.03 0.26 -0.26 0.50 0.00 0.00 0.00 176.54 177.01 1mua h LYS 133 N 1.07 0.55 -0.07 4.80 1.79 -1.77 -3.21 116.57 119.73 1mua h LYS 133 Ca 0.44 -0.31 0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1mua h LYS 133 Cb 0.28 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1mua h LYS 133 CO -0.21 0.91 0.05 0.00 -1.08 0.00 0.00 179.45 179.12 1mua h ALA 134 N 0.64 2.04 -0.01 3.86 0.00 -0.72 -1.36 119.26 123.70 1mua h ALA 134 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1mua h ALA 134 Cb 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1mua h ALA 134 CO 0.06 -0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.59 1mua n VAL 135 N -4.52 0.03 0.21 0.00 0.24 -0.85 -2.29 118.33 111.16 1mua n VAL 135 Ca -0.01 -0.02 0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1mua n VAL 135 Cb 0.14 -0.34 0.01 0.00 -1.47 0.00 0.00 33.84 32.18 1mua n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mua n GLN 136 N -0.14 0.90 -4.56 7.34 6.02 -0.51 -4.97 117.38 121.46 1mua n GLN 136 Ca 0.00 -0.64 -0.30 0.00 -0.01 0.00 0.00 57.00 56.05 1mua n GLN 136 Cb 0.19 -1.02 -0.13 0.00 1.02 0.00 0.00 30.24 30.30 1mua n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1mua s GLN 137 N -0.63 1.90 0.18 -1.09 -1.52 -0.97 -5.03 119.66 112.51 1mua s GLN 137 Ca 0.05 -1.08 0.20 0.00 -1.95 0.00 0.00 55.36 52.58 1mua s GLN 137 Cb 0.04 -2.12 0.86 0.00 -0.22 0.00 0.00 33.01 31.57 1mua s GLN 137 CO 0.09 0.51 1.62 -0.35 -0.25 0.00 0.00 175.29 176.91 1mua n PRO 138 N 1.31 0.13 -0.96 2.91 -0.04 -1.26 -2.20 135.00 134.89 1mua n PRO 138 Ca -0.16 0.39 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 1mua n PRO 138 Cb 0.52 -1.76 0.15 0.00 -0.04 0.00 0.00 33.50 32.37 1mua n PRO 138 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1mua n ASP 139 N -2.01 1.65 -0.09 3.54 5.75 -1.26 -4.40 116.55 119.73 1mua n ASP 139 Ca 0.02 -3.33 -0.13 0.00 -0.01 0.00 0.00 54.79 51.34 1mua n ASP 139 Cb 0.19 -0.46 -0.04 0.00 -1.03 0.00 0.00 41.12 39.78 1mua n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1mua h GLY 140 N 1.08 0.73 -2.72 6.12 0.00 -1.17 -3.44 103.07 103.67 1mua h GLY 140 Ca -0.05 -0.74 -0.61 0.00 0.00 0.00 0.00 47.33 45.93 1mua h GLY 140 CO 0.06 0.66 -0.79 1.08 0.00 0.00 0.00 176.54 177.56 1mua s LEU 141 N -9.01 2.51 -0.06 3.11 1.43 -0.23 -0.75 118.68 115.69 1mua s LEU 141 Ca -0.13 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1mua s LEU 141 Cb 0.08 -1.09 0.03 0.00 0.03 0.00 0.00 46.19 45.24 1mua s LEU 141 CO 0.82 0.06 -0.00 0.00 0.23 0.00 0.00 176.35 177.45 1mua s ALA 142 N -2.15 0.59 -0.11 4.21 0.00 -0.51 -0.61 121.76 123.19 1mua s ALA 142 Ca 0.25 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1mua s ALA 142 Cb -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1mua s ALA 142 CO 0.12 -0.30 -0.19 0.08 0.00 0.00 0.00 175.76 175.46 1mua s VAL 143 N 1.60 2.51 -0.31 0.00 1.01 -0.71 -0.89 120.40 123.61 1mua s VAL 143 Ca -0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1mua s VAL 143 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1mua s VAL 143 CO -0.03 0.55 0.36 -0.22 0.00 0.00 0.00 175.10 175.76 1mua s LEU 144 N 0.28 4.24 -0.11 3.92 0.20 -0.59 -1.41 118.68 125.22 1mua s LEU 144 Ca -0.14 -0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.68 1mua s LEU 144 Cb -0.17 -2.37 -0.02 0.00 -0.43 0.00 0.00 46.19 43.20 1mua s LEU 144 CO 0.07 -0.27 -0.10 -0.83 -0.29 0.00 0.00 176.35 174.93 1mua s GLY 145 N 1.70 1.61 -0.05 7.98 0.00 -0.15 -1.19 107.32 117.23 1mua s GLY 145 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1mua s GLY 145 CO 0.11 -0.36 -0.06 -0.42 0.00 0.00 0.00 173.10 172.37 1mua s ILE 146 N -0.07 0.64 0.34 0.90 1.01 -0.18 -1.42 121.20 122.43 1mua s ILE 146 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 1mua s ILE 146 Cb -0.14 -0.65 -0.09 0.00 0.01 0.00 0.00 42.46 41.60 1mua s ILE 146 CO 0.03 0.25 0.75 -0.36 0.00 0.00 0.00 174.94 175.61 1mua s PHE 147 N 0.89 3.39 -0.10 3.97 0.08 -1.26 -0.46 117.98 124.49 1mua s PHE 147 Ca -0.11 1.20 0.02 0.00 0.12 0.00 0.00 56.93 58.16 1mua s PHE 147 Cb -0.15 -2.53 -0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1mua s PHE 147 CO 0.01 0.05 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.50 1mua s LEU 148 N -3.15 2.53 0.18 -0.37 1.02 -0.47 -0.43 118.68 117.98 1mua s LEU 148 Ca 0.54 -0.36 0.10 0.00 0.02 0.00 0.00 54.13 54.43 1mua s LEU 148 Cb -0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1mua s LEU 148 CO 0.20 0.21 -0.21 -1.59 0.02 0.00 0.00 176.35 174.99 1mua s LYS 149 N 0.05 1.38 -0.07 1.70 -2.85 0.04 -2.17 119.74 117.82 1mua s LYS 149 Ca -0.06 -1.46 -0.23 0.00 -1.00 0.00 0.00 55.97 53.21 1mua s LYS 149 Cb -0.15 -1.55 -0.04 0.00 -2.06 0.00 0.00 37.83 34.04 1mua s LYS 149 CO 0.05 0.32 0.71 0.08 0.10 0.00 0.00 175.35 176.61 1mua s VAL 150 N -1.90 5.04 0.00 1.79 1.01 -1.26 -1.15 120.40 123.94 1mua s VAL 150 Ca 0.18 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1mua s VAL 150 Cb -0.07 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1mua s VAL 150 CO 0.08 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1mua n GLY 151 N 3.13 -0.33 3.79 4.51 0.00 0.32 -4.90 105.19 111.71 1mua n GLY 151 Ca -0.01 0.59 -0.36 0.00 0.00 0.00 0.00 46.02 46.24 1mua n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mua s SER 152 N 2.00 7.20 0.49 1.61 0.01 -1.26 -3.98 113.70 119.77 1mua s SER 152 Ca 0.00 1.80 -0.23 0.00 1.31 0.00 0.00 55.95 58.83 1mua s SER 152 Cb 0.00 -2.57 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 1mua s SER 152 CO 0.00 -0.17 1.26 0.00 0.41 0.00 0.00 173.24 174.74 1mua s ALA 153 N -1.78 2.94 -0.44 1.44 0.00 -1.26 -2.03 121.76 120.63 1mua s ALA 153 Ca 0.54 1.13 -0.13 0.00 0.00 0.00 0.00 51.96 53.50 1mua s ALA 153 Cb -0.16 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1mua s ALA 153 CO 0.21 -0.96 0.32 0.21 0.00 0.00 0.00 175.76 175.54 1mua s LYS 154 N -2.73 2.83 0.20 0.00 2.47 -1.24 -4.82 119.74 116.45 1mua s LYS 154 Ca 0.66 -1.35 -0.16 0.00 -1.56 0.00 0.00 55.97 53.56 1mua s LYS 154 Cb -0.34 -3.96 0.21 0.00 -1.46 0.00 0.00 37.83 32.27 1mua s LYS 154 CO 0.42 -0.96 1.61 -1.35 0.16 0.00 0.00 175.35 175.23 1mua h PRO 155 N 8.59 -0.06 0.00 4.03 0.11 -1.92 -1.61 132.00 141.15 1mua h PRO 155 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1mua h PRO 155 Cb 1.10 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1mua h PRO 155 CO 0.81 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 1mua n GLY 156 N -1.44 -0.94 0.07 -0.55 0.00 -1.26 -1.62 105.19 99.45 1mua n GLY 156 Ca 0.07 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1mua n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mua n LEU 157 N -2.19 0.53 -0.29 0.99 7.94 -0.61 -4.45 117.00 118.93 1mua n LEU 157 Ca -0.00 0.19 0.06 0.00 -1.11 0.00 0.00 56.01 55.14 1mua n LEU 157 Cb 0.08 -0.04 0.20 0.00 0.53 0.00 0.00 43.42 44.19 1mua n LEU 157 CO 0.11 -0.11 1.10 -0.61 -1.11 0.00 0.00 177.39 176.77 1mua h GLN 158 N 0.00 0.61 -1.00 1.96 5.75 -1.29 -1.24 115.11 119.91 1mua h GLN 158 Ca 0.00 -0.04 0.10 0.00 -0.15 0.00 0.00 58.65 58.56 1mua h GLN 158 Cb 0.98 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.32 1mua h GLN 158 CO 0.00 0.40 0.63 0.87 -2.65 0.00 0.00 178.83 178.09 1mua h LYS 159 N 0.63 1.03 -0.15 1.69 1.57 -1.78 -1.10 116.57 118.46 1mua h LYS 159 Ca 0.44 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 1mua h LYS 159 Cb 0.58 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1mua h LYS 159 CO -0.34 0.68 -0.16 0.28 -0.57 0.00 0.00 179.45 179.34 1mua h VAL 160 N 1.06 1.35 -0.65 0.50 2.07 -1.53 -3.26 116.25 115.78 1mua h VAL 160 Ca 0.47 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1mua h VAL 160 Cb 0.37 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1mua h VAL 160 CO -0.23 0.39 0.35 0.58 0.02 0.00 0.00 177.57 178.68 1mua h VAL 161 N 0.01 0.94 0.00 2.57 2.07 -0.78 -2.29 116.25 118.77 1mua h VAL 161 Ca 0.02 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1mua h VAL 161 Cb 0.70 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1mua h VAL 161 CO 0.04 0.12 -0.07 0.44 0.02 0.00 0.00 177.57 178.12 1mua h ASP 162 N 0.64 0.00 0.04 0.57 3.32 -1.28 -2.87 116.42 116.85 1mua h ASP 162 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1mua h ASP 162 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1mua h ASP 162 CO -0.19 0.07 -0.32 0.55 -1.72 0.00 0.00 179.24 177.63 1mua n VAL 163 N -3.29 0.00 0.17 -1.35 3.14 -0.87 -4.30 118.33 111.84 1mua n VAL 163 Ca -0.01 -0.26 0.06 0.00 -2.96 0.00 0.00 64.34 61.17 1mua n VAL 163 Cb 0.27 1.02 0.56 0.00 -1.06 0.00 0.00 33.84 34.63 1mua n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1mua h LEU 164 N 2.46 0.15 -1.18 6.55 3.38 -1.41 -2.27 115.31 122.99 1mua h LEU 164 Ca 0.00 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1mua h LEU 164 Cb 0.71 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1mua h LEU 164 CO 0.00 0.13 0.59 0.44 0.09 0.00 0.00 178.44 179.69 1mua h ASP 165 N 0.18 0.80 1.36 -0.43 3.32 -1.80 -2.29 116.42 117.55 1mua h ASP 165 Ca 0.05 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1mua h ASP 165 Cb 0.01 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1mua h ASP 165 CO -0.01 0.44 0.00 0.28 -1.72 0.00 0.00 179.24 178.23 1mua h SER 166 N 0.86 0.00 -0.71 6.45 0.02 -1.72 -3.28 113.55 115.17 1mua h SER 166 Ca 0.44 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.94 1mua h SER 166 Cb 0.50 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.63 1mua h SER 166 CO -0.20 0.00 -0.92 2.30 -1.14 0.00 0.00 176.83 176.87 1mua n ILE 167 N -2.95 2.08 -0.03 3.27 -5.35 -0.88 -4.69 119.36 110.80 1mua n ILE 167 Ca 0.02 -3.83 0.00 0.00 -0.27 0.00 0.00 62.75 58.68 1mua n ILE 167 Cb 0.38 -0.33 0.30 0.00 -1.74 0.00 0.00 39.64 38.25 1mua n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1mua h LYS 168 N 2.37 0.60 -6.14 6.28 3.64 -1.58 -3.41 116.57 118.32 1mua h LYS 168 Ca 0.19 -0.10 -0.53 0.00 -1.27 0.00 0.00 60.65 58.94 1mua h LYS 168 Cb 1.40 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 1mua h LYS 168 CO 0.58 0.55 -0.51 0.95 -2.27 0.00 0.00 179.45 178.75 1mua s THR 169 N -5.16 3.28 0.20 1.00 -4.23 -1.26 -0.45 115.64 109.02 1mua s THR 169 Ca -0.08 -1.58 -0.32 0.00 -1.18 0.00 0.00 61.69 58.53 1mua s THR 169 Cb 0.16 -3.06 -0.11 0.00 1.34 0.00 0.00 72.50 70.82 1mua s THR 169 CO 0.76 -0.19 1.68 -0.75 -0.54 0.00 0.00 174.62 175.58 1mua s LYS 170 N -3.89 4.14 0.00 3.99 2.20 -0.03 -2.36 119.74 123.79 1mua s LYS 170 Ca 0.38 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.55 1mua s LYS 170 Cb -0.04 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1mua s LYS 170 CO 0.24 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 1mua n GLY 171 N 3.82 0.71 3.79 5.54 0.00 0.76 -4.52 105.19 115.28 1mua n GLY 171 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1mua n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mua s LYS 172 N -0.76 4.44 0.04 1.61 -0.14 -1.00 -4.90 119.74 119.03 1mua s LYS 172 Ca 0.00 1.06 -0.01 0.00 -1.36 0.00 0.00 55.97 55.66 1mua s LYS 172 Cb 0.00 -3.06 -0.03 0.00 -1.68 0.00 0.00 37.83 33.06 1mua s LYS 172 CO 0.00 0.47 -0.02 -1.54 -0.76 0.00 0.00 175.35 173.50 1mua s SER 173 N -1.40 0.40 0.00 2.83 1.04 -1.26 -1.24 113.70 114.08 1mua s SER 173 Ca 0.40 -0.83 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 1mua s SER 173 Cb -0.20 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1mua s SER 173 CO 0.24 -0.51 0.01 0.00 0.98 0.00 0.00 173.24 173.96 1mua s ALA 174 N -3.15 -0.01 0.25 5.32 0.00 0.37 -4.92 121.76 119.62 1mua s ALA 174 Ca -0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 1mua s ALA 174 Cb 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.09 1mua s ALA 174 CO -0.07 -0.09 1.52 -0.51 0.00 0.00 0.00 175.76 176.61 1mua s ASP 175 N -0.75 6.54 -0.42 0.00 1.01 -1.26 -0.68 116.67 121.11 1mua s ASP 175 Ca -0.08 2.77 0.08 0.00 0.71 0.00 0.00 52.55 56.02 1mua s ASP 175 Cb -0.05 -2.62 0.27 0.00 1.01 0.00 0.00 42.92 41.52 1mua s ASP 175 CO -0.00 -0.80 0.67 0.33 0.21 0.00 0.00 175.17 175.58 1mua n PHE 176 N 2.56 -1.15 -2.47 4.23 7.35 0.03 -4.75 117.46 123.26 1mua n PHE 176 Ca 0.09 -3.08 -0.27 0.00 -0.76 0.00 0.00 57.45 53.42 1mua n PHE 176 Cb 0.39 0.22 0.01 0.00 0.35 0.00 0.00 39.48 40.45 1mua n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mua s THR 177 N -0.83 4.33 -1.44 -2.13 -4.23 -1.26 -3.30 115.64 106.78 1mua s THR 177 Ca 0.34 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.94 1mua s THR 177 Cb 0.22 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.39 1mua s THR 177 CO -0.14 -0.70 0.96 0.59 -0.54 0.00 0.00 174.62 174.80 1mua n ASN 178 N -2.44 -6.20 -4.59 3.99 4.13 -1.26 -4.96 115.26 103.93 1mua n ASN 178 Ca 0.03 -0.46 -0.37 0.00 1.68 0.00 0.00 54.58 55.46 1mua n ASN 178 Cb 0.56 -4.93 -0.11 0.00 -1.54 0.00 0.00 39.78 33.77 1mua n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1mua s PHE 179 N -3.26 3.23 -0.38 3.10 5.36 -1.26 -5.04 117.98 119.73 1mua s PHE 179 Ca 0.49 0.04 -0.14 0.00 -0.96 0.00 0.00 56.93 56.36 1mua s PHE 179 Cb -0.22 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 1mua s PHE 179 CO 0.61 -0.07 0.27 0.34 -1.46 0.00 0.00 175.22 174.91 1mua s ASP 180 N 1.24 6.08 0.50 6.13 -1.08 -1.26 -4.47 116.67 123.81 1mua s ASP 180 Ca 0.06 -0.68 0.33 0.00 -0.52 0.00 0.00 52.55 51.75 1mua s ASP 180 Cb -0.14 -2.15 1.65 0.00 -1.46 0.00 0.00 42.92 40.82 1mua s ASP 180 CO 0.05 -0.35 2.01 1.55 0.52 0.00 0.00 175.17 178.95 1mua h PRO 181 N 8.56 0.00 -0.01 4.34 0.13 -1.97 -2.94 132.00 140.11 1mua h PRO 181 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1mua h PRO 181 Cb 1.14 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1mua h PRO 181 CO 0.69 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.48 1mua h ARG 182 N 0.00 0.00 0.00 0.86 3.08 -1.92 -1.45 114.38 114.94 1mua h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1mua h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1mua h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1mua n GLY 183 N -1.25 -1.04 0.97 0.04 0.00 -1.11 -3.03 105.19 99.76 1mua n GLY 183 Ca -0.03 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.03 1mua n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1mua n LEU 184 N -1.46 3.10 -4.84 0.99 4.77 -0.55 -4.43 117.00 114.59 1mua n LEU 184 Ca 0.05 -1.37 -0.37 0.00 -0.03 0.00 0.00 56.01 54.29 1mua n LEU 184 Cb 0.19 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1mua n LEU 184 CO 0.15 0.64 0.15 -0.76 -1.33 0.00 0.00 177.39 176.24 1mua s LEU 185 N -1.46 4.43 1.00 2.23 1.43 -1.17 -4.95 118.68 120.19 1mua s LEU 185 Ca 0.31 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 54.26 1mua s LEU 185 Cb 0.19 -2.86 0.20 0.00 0.03 0.00 0.00 46.19 43.75 1mua s LEU 185 CO 0.27 0.24 1.21 -2.16 0.23 0.00 0.00 176.35 176.14 1mua s PRO 186 N -1.44 0.34 0.04 1.29 0.04 -1.26 -4.99 135.00 129.02 1mua s PRO 186 Ca 0.29 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.96 1mua s PRO 186 Cb -0.16 -1.78 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 1mua s PRO 186 CO 0.16 -2.66 1.47 1.49 0.04 0.00 0.00 177.00 177.51 1mua h GLU 187 N -1.82 -0.29 -6.30 4.56 4.81 -1.92 -3.44 114.58 110.18 1mua h GLU 187 Ca -0.46 0.02 -0.56 0.00 -0.13 0.00 0.00 59.36 58.23 1mua h GLU 187 Cb 1.28 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 1mua h GLU 187 CO 0.45 -0.05 -0.07 0.45 -0.73 0.00 0.00 179.01 179.05 1mua s SER 188 N -5.10 6.87 -0.21 1.04 0.15 -1.26 -5.01 113.70 110.18 1mua s SER 188 Ca -0.15 1.12 0.15 0.00 0.70 0.00 0.00 55.95 57.77 1mua s SER 188 Cb 0.04 -2.30 0.60 0.00 -1.71 0.00 0.00 66.02 62.64 1mua s SER 188 CO 0.62 0.14 1.52 0.18 1.20 0.00 0.00 173.24 176.90 1mua n LEU 189 N 1.01 4.44 -4.76 3.45 4.77 -1.26 -4.74 117.00 119.91 1mua n LEU 189 Ca -0.07 -3.09 -0.39 0.00 -0.03 0.00 0.00 56.01 52.43 1mua n LEU 189 Cb 0.52 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1mua n LEU 189 CO 0.42 0.73 1.02 -1.81 -1.33 0.00 0.00 177.39 176.42 1mua s ASP 190 N -1.71 5.90 0.22 -1.43 1.01 -1.26 -4.74 116.67 114.66 1mua s ASP 190 Ca 0.46 2.81 -0.11 0.00 0.71 0.00 0.00 52.55 56.42 1mua s ASP 190 Cb 0.37 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.65 1mua s ASP 190 CO 0.10 -1.15 0.41 -0.72 0.21 0.00 0.00 175.17 174.02 1mua s TYR 191 N -1.24 0.41 0.10 4.23 -0.85 -1.26 -1.79 117.35 116.95 1mua s TYR 191 Ca 0.62 -0.75 0.06 0.00 -0.52 0.00 0.00 57.07 56.48 1mua s TYR 191 Cb -0.41 0.09 -0.04 0.00 0.38 0.00 0.00 41.96 41.98 1mua s TYR 191 CO 0.53 -0.91 -0.08 -1.58 -1.52 0.00 0.00 175.55 171.99 1mua s TRP 192 N -4.01 2.80 -0.02 -3.49 0.51 0.08 -1.17 118.94 113.64 1mua s TRP 192 Ca 0.22 -0.12 -0.07 0.00 -2.12 0.00 0.00 56.10 54.01 1mua s TRP 192 Cb 0.01 -1.46 0.01 0.00 -0.81 0.00 0.00 33.47 31.21 1mua s TRP 192 CO 0.07 0.44 0.15 -0.08 -0.51 0.00 0.00 176.95 177.02 1mua s THR 193 N -1.23 0.05 -0.03 2.01 -1.32 -0.22 -1.13 115.64 113.78 1mua s THR 193 Ca 0.22 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.98 1mua s THR 193 Cb -0.11 -0.37 0.10 0.00 -1.51 0.00 0.00 72.50 70.60 1mua s THR 193 CO 0.15 -0.24 0.81 -0.72 -2.21 0.00 0.00 174.62 172.41 1mua s TYR 194 N -0.86 -0.46 -0.16 9.09 1.13 -1.05 -1.90 117.35 123.15 1mua s TYR 194 Ca -0.09 0.56 -0.27 0.00 -1.41 0.00 0.00 57.07 55.85 1mua s TYR 194 Cb -0.05 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1mua s TYR 194 CO 0.01 -0.56 0.92 -1.25 -2.51 0.00 0.00 175.55 172.16 1mua s PRO 195 N -2.27 4.33 0.00 -3.49 0.04 -1.26 -0.63 135.00 131.72 1mua s PRO 195 Ca -0.01 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1mua s PRO 195 Cb -0.01 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1mua s PRO 195 CO -0.03 -0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.05 1mua n GLY 196 N 3.32 5.39 3.33 0.56 0.00 0.15 -4.84 105.19 113.09 1mua n GLY 196 Ca 0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.97 1mua n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mua s SER 197 N 1.09 0.84 0.50 1.61 1.04 -1.08 -2.36 113.70 115.34 1mua s SER 197 Ca 0.00 -1.50 -0.21 0.00 0.48 0.00 0.00 55.95 54.72 1mua s SER 197 Cb 0.00 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 1mua s SER 197 CO 0.00 -1.05 1.16 -0.76 0.98 0.00 0.00 173.24 173.58 1mua s LEU 198 N -3.24 3.88 0.00 2.42 1.43 -0.25 -4.51 118.68 118.41 1mua s LEU 198 Ca 0.36 2.29 0.24 0.00 -1.03 0.00 0.00 54.13 55.99 1mua s LEU 198 Cb 0.03 -4.39 0.65 0.00 0.03 0.00 0.00 46.19 42.51 1mua s LEU 198 CO 0.19 -1.11 1.51 0.35 0.23 0.00 0.00 176.35 177.53 1mua n THR 199 N -0.89 0.19 -4.27 5.49 -2.24 -1.26 -4.44 114.28 106.87 1mua n THR 199 Ca 0.09 -0.44 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 1mua n THR 199 Cb 0.49 0.73 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 1mua n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1mua s THR 200 N -1.81 1.39 0.30 4.28 -4.23 -1.26 -4.70 115.64 109.61 1mua s THR 200 Ca 0.34 -1.87 -0.29 0.00 -1.18 0.00 0.00 61.69 58.68 1mua s THR 200 Cb 0.20 -1.69 -0.13 0.00 1.34 0.00 0.00 72.50 72.22 1mua s THR 200 CO 0.30 -0.50 1.34 -2.65 -0.54 0.00 0.00 174.62 172.57 1mua n PRO 201 N 0.23 2.09 -0.01 3.99 -0.02 -1.26 -0.60 135.00 139.43 1mua n PRO 201 Ca -0.13 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1mua n PRO 201 Cb 0.58 -2.36 0.01 0.00 -0.02 0.00 0.00 33.50 31.71 1mua n PRO 201 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mua n ALA 202 N 1.07 2.50 -3.33 3.55 0.00 -1.26 -4.98 120.51 118.06 1mua n ALA 202 Ca 0.08 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1mua n ALA 202 Cb 0.34 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 1mua n ALA 202 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mua n LEU 203 N -0.39 -1.66 -4.75 0.00 4.77 0.24 -4.88 117.00 110.32 1mua n LEU 203 Ca 0.00 -0.38 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 1mua n LEU 203 Cb 0.05 -2.20 -0.01 0.00 -2.33 0.00 0.00 43.42 38.92 1mua n LEU 203 CO 0.00 0.16 1.23 -0.76 -1.33 0.00 0.00 177.39 176.69 1mua s LEU 204 N -6.50 4.34 -1.26 2.23 1.43 -1.26 -4.39 118.68 113.27 1mua s LEU 204 Ca 0.39 2.95 -0.09 0.00 -1.03 0.00 0.00 54.13 56.35 1mua s LEU 204 Cb -0.20 -3.64 0.18 0.00 0.03 0.00 0.00 46.19 42.56 1mua s LEU 204 CO 0.48 -0.90 1.82 -0.62 0.23 0.00 0.00 176.35 177.36 1mua n GLU 205 N 1.98 3.67 0.00 1.70 1.02 -1.26 -1.09 120.64 126.65 1mua n GLU 205 Ca 0.07 -3.62 0.00 0.00 -0.02 0.00 0.00 57.16 53.59 1mua n GLU 205 Cb 0.38 -2.90 0.00 0.00 -0.02 0.00 0.00 31.44 28.89 1mua n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mua s VAL 207 N -0.23 5.08 -0.36 0.00 1.01 -0.99 -1.07 120.40 123.83 1mua s VAL 207 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 1mua s VAL 207 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 1mua s VAL 207 CO 0.00 0.52 0.34 -0.89 0.00 0.00 0.00 175.10 175.07 1mua s THR 208 N -0.20 5.19 -0.05 3.92 2.01 0.22 0.31 115.64 127.04 1mua s THR 208 Ca 0.09 -0.11 -0.18 0.00 0.31 0.00 0.00 61.69 61.80 1mua s THR 208 Cb -0.12 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.50 1mua s THR 208 CO 0.01 -0.14 0.51 0.26 -0.69 0.00 0.00 174.62 174.57 1mua s TRP 209 N 1.95 3.63 -0.29 4.92 0.52 0.20 -1.74 118.94 128.13 1mua s TRP 209 Ca 0.10 1.03 0.01 0.00 0.02 0.00 0.00 56.10 57.26 1mua s TRP 209 Cb -0.17 -2.51 0.08 0.00 -1.15 0.00 0.00 33.47 29.72 1mua s TRP 209 CO 0.12 0.35 0.03 0.42 0.02 0.00 0.00 176.95 177.88 1mua s ILE 210 N -0.10 1.50 -0.25 2.03 1.01 -0.50 -2.52 121.20 122.37 1mua s ILE 210 Ca 0.27 -1.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.27 1mua s ILE 210 Cb -0.17 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1mua s ILE 210 CO 0.14 -0.42 0.11 -0.69 0.00 0.00 0.00 174.94 174.07 1mua s VAL 211 N 1.34 4.71 0.25 2.92 1.01 -0.28 -0.97 120.40 129.39 1mua s VAL 211 Ca 0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1mua s VAL 211 Cb -0.18 -3.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 1mua s VAL 211 CO -0.13 0.32 1.15 -0.76 0.00 0.00 0.00 175.10 175.68 1mua s LEU 212 N 1.52 4.51 0.10 3.92 1.02 -0.51 -0.75 118.68 128.49 1mua s LEU 212 Ca 0.06 2.30 -0.17 0.00 0.02 0.00 0.00 54.13 56.34 1mua s LEU 212 Cb -0.15 -3.62 -0.07 0.00 0.02 0.00 0.00 46.19 42.37 1mua s LEU 212 CO 0.06 -0.25 1.49 0.50 0.02 0.00 0.00 176.35 178.17 1mua h LYS 213 N 4.22 0.58 -5.67 1.70 3.64 -1.69 -3.43 116.57 115.92 1mua h LYS 213 Ca -0.46 -0.22 -0.60 0.00 -1.27 0.00 0.00 60.65 58.09 1mua h LYS 213 Cb 1.21 -0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 1mua h LYS 213 CO 0.69 0.78 0.32 -2.00 -2.27 0.00 0.00 179.45 176.97 1mua s GLU 214 N -4.76 4.05 0.60 1.90 2.12 -1.26 -5.02 118.70 116.33 1mua s GLU 214 Ca -0.13 0.63 -0.15 0.00 0.36 0.00 0.00 54.97 55.68 1mua s GLU 214 Cb 0.08 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.75 1mua s GLU 214 CO 0.78 -0.56 1.04 -2.14 -0.54 0.00 0.00 175.26 173.85 1mua s PRO 215 N 2.77 3.35 0.08 4.30 0.02 -1.26 -4.63 135.00 139.63 1mua s PRO 215 Ca 0.30 1.08 0.02 0.00 0.02 0.00 0.00 61.00 62.43 1mua s PRO 215 Cb -0.15 -2.04 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 1mua s PRO 215 CO 0.10 -0.77 0.14 0.96 -0.33 0.00 0.00 177.00 177.09 1mua s ILE 216 N -2.65 4.85 -0.05 2.83 -4.36 0.43 -4.92 121.20 117.33 1mua s ILE 216 Ca 0.61 -0.66 -0.02 0.00 -0.26 0.00 0.00 60.65 60.33 1mua s ILE 216 Cb -0.14 -3.37 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1mua s ILE 216 CO 0.41 0.11 0.07 -0.94 0.24 0.00 0.00 174.94 174.82 1mua s SER 217 N -2.51 5.65 0.10 4.36 1.04 -1.26 -0.78 113.70 120.30 1mua s SER 217 Ca 0.32 0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.97 1mua s SER 217 Cb -0.12 -1.65 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 1mua s SER 217 CO 0.24 0.33 -0.09 0.68 0.98 0.00 0.00 173.24 175.38 1mua s VAL 218 N -1.07 0.90 0.57 5.02 -7.23 -0.30 -3.69 120.40 114.59 1mua s VAL 218 Ca 0.19 -1.75 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1mua s VAL 218 Cb -0.12 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 1mua s VAL 218 CO 0.09 -0.66 0.90 -0.94 -0.31 0.00 0.00 175.10 174.18 1mua s SER 219 N -2.67 5.91 0.26 4.85 1.04 -1.19 -0.52 113.70 121.38 1mua s SER 219 Ca 0.08 0.93 -0.05 0.00 0.48 0.00 0.00 55.95 57.39 1mua s SER 219 Cb -0.00 -2.03 0.29 0.00 0.10 0.00 0.00 66.02 64.37 1mua s SER 219 CO -0.01 -0.89 1.93 -1.28 0.98 0.00 0.00 173.24 173.97 1mua h SER 220 N -0.10 1.12 -0.96 7.02 0.87 -1.94 -2.21 113.55 117.35 1mua h SER 220 Ca -0.46 -0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1mua h SER 220 Cb 1.23 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.86 1mua h SER 220 CO 0.61 0.82 0.64 1.05 -0.53 0.00 0.00 176.83 179.42 1mua h GLU 221 N 1.32 1.26 0.14 2.24 9.09 -1.95 0.62 114.58 127.29 1mua h GLU 221 Ca 0.35 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.68 1mua h GLU 221 Cb -0.13 -0.28 0.00 0.00 -1.65 0.00 0.00 28.75 26.68 1mua h GLU 221 CO -0.07 0.83 -0.07 1.96 0.05 0.00 0.00 179.01 181.71 1mua h GLN 222 N 1.30 -0.18 -0.07 1.06 4.20 -1.83 -2.86 115.11 116.72 1mua h GLN 222 Ca 0.35 0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.98 1mua h GLN 222 Cb -0.15 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1mua h GLN 222 CO -0.08 0.05 -0.41 -0.24 -0.67 0.00 0.00 178.83 177.49 1mua h VAL 223 N -0.39 1.31 -0.91 -0.54 3.04 -1.31 -2.60 116.25 114.84 1mua h VAL 223 Ca -0.02 -1.48 0.18 0.00 -1.01 0.00 0.00 66.70 64.37 1mua h VAL 223 Cb 0.32 1.70 -0.11 0.00 -2.01 0.00 0.00 31.29 31.19 1mua h VAL 223 CO 0.03 0.44 0.48 -0.07 -1.01 0.00 0.00 177.57 177.44 1mua h LEU 224 N 0.14 0.55 -1.01 3.16 3.38 -0.75 -0.85 115.31 119.94 1mua h LEU 224 Ca 0.01 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1mua h LEU 224 Cb 0.78 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1mua h LEU 224 CO 0.06 0.17 -0.16 0.11 0.09 0.00 0.00 178.44 178.71 1mua h LYS 225 N 0.60 0.53 -0.87 1.13 1.57 -1.24 -2.26 116.57 116.03 1mua h LYS 225 Ca 0.53 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1mua h LYS 225 Cb 0.85 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.07 1mua h LYS 225 CO -0.41 0.67 0.58 0.74 -0.57 0.00 0.00 179.45 180.45 1mua h PHE 226 N 0.48 1.09 0.00 -1.35 -1.00 -1.13 -2.57 116.94 112.46 1mua h PHE 226 Ca 0.08 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1mua h PHE 226 Cb 0.56 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1mua h PHE 226 CO 0.02 0.67 0.00 0.54 -1.61 0.00 0.00 178.31 177.93 1mua n ARG 227 N -4.49 0.10 0.00 1.51 1.74 -0.85 -2.64 116.66 112.02 1mua n ARG 227 Ca 0.10 0.24 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 1mua n ARG 227 Cb 0.03 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.21 1mua n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1mua n LYS 228 N -1.35 1.31 -1.35 5.56 5.02 -0.97 -4.49 118.16 121.89 1mua n LYS 228 Ca 0.04 -0.94 -0.31 0.00 -2.02 0.00 0.00 58.31 55.08 1mua n LYS 228 Cb 0.09 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1mua n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1mua s LEU 229 N -2.34 2.88 0.01 -0.35 1.02 -1.08 -4.89 118.68 113.94 1mua s LEU 229 Ca 0.25 1.67 0.08 0.00 0.02 0.00 0.00 54.13 56.15 1mua s LEU 229 Cb 0.19 -4.36 -0.02 0.00 0.02 0.00 0.00 46.19 42.02 1mua s LEU 229 CO 0.47 -2.00 -0.24 0.20 0.02 0.00 0.00 176.35 174.81 1mua s ASN 230 N -3.54 2.83 0.10 2.29 0.02 0.40 -0.26 114.94 116.78 1mua s ASN 230 Ca 0.61 -0.49 -0.03 0.00 -1.02 0.00 0.00 52.86 51.92 1mua s ASN 230 Cb -0.16 -0.28 -0.19 0.00 0.02 0.00 0.00 41.25 40.64 1mua s ASN 230 CO 0.56 0.25 1.23 -0.26 0.02 0.00 0.00 177.10 178.90 1mua h PHE 231 N 5.19 0.49 -4.25 2.20 0.04 -1.27 -3.35 116.94 115.97 1mua h PHE 231 Ca -0.43 -0.32 -0.47 0.00 2.80 0.00 0.00 57.97 59.55 1mua h PHE 231 Cb 1.14 -0.04 0.12 0.00 2.20 0.00 0.00 35.95 39.38 1mua h PHE 231 CO 0.44 1.19 0.31 0.54 -0.60 0.00 0.00 178.31 180.20 1mua s ASN 232 N -7.09 3.94 0.43 2.17 4.22 -1.26 -4.40 114.94 112.96 1mua s ASN 232 Ca -0.04 1.15 -0.03 0.00 -2.14 0.00 0.00 52.86 51.80 1mua s ASN 232 Cb 0.08 -1.80 -0.03 0.00 1.28 0.00 0.00 41.25 40.78 1mua s ASN 232 CO 0.87 -2.30 0.69 -0.83 -2.04 0.00 0.00 177.10 173.49 1mua s GLY 233 N -3.94 1.44 0.35 0.45 0.00 -1.26 -0.85 107.32 103.51 1mua s GLY 233 Ca 0.62 -0.70 -0.29 0.00 0.00 0.00 0.00 44.72 44.36 1mua s GLY 233 CO 0.54 -0.57 1.48 1.85 0.00 0.00 0.00 173.10 176.40 1mua s GLU 234 N -4.58 4.15 0.00 2.90 2.12 -1.26 -1.93 118.70 120.10 1mua s GLU 234 Ca 0.45 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.29 1mua s GLU 234 Cb -0.10 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.29 1mua s GLU 234 CO 0.41 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1mua n GLY 235 N 0.96 0.80 3.64 -1.50 0.00 -1.26 -5.03 105.19 102.80 1mua n GLY 235 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1mua n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mua s GLU 236 N -0.36 2.32 0.17 1.61 2.02 -0.81 -5.09 118.70 118.56 1mua s GLU 236 Ca 0.00 -1.19 -0.33 0.00 0.02 0.00 0.00 54.97 53.48 1mua s GLU 236 Cb 0.00 -2.29 -0.16 0.00 0.10 0.00 0.00 34.13 31.78 1mua s GLU 236 CO 0.00 0.44 1.05 -2.30 0.02 0.00 0.00 175.26 174.47 1mua n PRO 237 N -0.22 0.89 -2.67 0.39 -0.02 -1.26 -4.85 135.00 127.26 1mua n PRO 237 Ca -0.09 0.32 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1mua n PRO 237 Cb 0.56 -1.74 -0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1mua n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1mua s GLU 238 N -0.52 4.33 -0.27 -0.52 2.12 -1.26 -4.73 118.70 117.84 1mua s GLU 238 Ca 0.73 1.38 0.02 0.00 0.36 0.00 0.00 54.97 57.45 1mua s GLU 238 Cb -0.90 -3.60 0.08 0.00 0.26 0.00 0.00 34.13 29.97 1mua s GLU 238 CO 0.54 -0.50 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.74 1mua s GLU 239 N 2.71 1.55 0.33 4.30 2.12 -1.26 -5.07 118.70 123.38 1mua s GLU 239 Ca 0.46 -1.27 -0.29 0.00 0.36 0.00 0.00 54.97 54.23 1mua s GLU 239 Cb -0.16 -2.70 -0.11 0.00 0.26 0.00 0.00 34.13 31.41 1mua s GLU 239 CO 0.11 -0.73 1.54 -0.51 -0.54 0.00 0.00 175.26 175.13 1mua s LEU 240 N 1.26 4.34 -0.95 2.70 1.43 -1.26 -0.88 118.68 125.31 1mua s LEU 240 Ca -0.00 2.98 -0.22 0.00 -1.03 0.00 0.00 54.13 55.86 1mua s LEU 240 Cb -0.19 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.45 1mua s LEU 240 CO -0.09 -0.88 1.33 -0.32 0.23 0.00 0.00 176.35 176.61 1mua s MET 241 N -1.22 3.53 0.06 1.70 -2.45 0.63 -4.65 119.30 116.91 1mua s MET 241 Ca 0.58 -1.20 0.00 0.00 -1.25 0.00 0.00 55.69 53.83 1mua s MET 241 Cb -0.47 -5.09 -0.04 0.00 1.25 0.00 0.00 34.83 30.49 1mua s MET 241 CO 0.55 -2.07 -0.04 0.14 1.05 0.00 0.00 175.02 174.64 1mua s VAL 242 N 4.40 0.39 -1.27 10.11 -7.23 -1.26 -4.52 120.40 121.02 1mua s VAL 242 Ca 0.40 -1.73 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1mua s VAL 242 Cb -0.03 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1mua s VAL 242 CO -0.07 -0.88 0.68 0.47 -0.31 0.00 0.00 175.10 174.99 1mua n ASP 243 N 0.26 -2.39 -2.89 4.85 8.00 -0.53 -4.87 116.55 118.98 1mua n ASP 243 Ca -0.15 -0.90 -0.39 0.00 0.71 0.00 0.00 54.79 54.06 1mua n ASP 243 Cb 0.60 -3.78 0.04 0.00 -0.02 0.00 0.00 41.12 37.96 1mua n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1mua n ASN 244 N -2.96 7.34 -4.35 -2.24 6.94 -1.09 -4.91 115.26 113.99 1mua n ASN 244 Ca -0.24 -3.83 -0.26 0.00 -0.02 0.00 0.00 54.58 50.23 1mua n ASN 244 Cb 0.65 -1.03 -0.13 0.00 -2.36 0.00 0.00 39.78 36.92 1mua n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1mua s TRP 245 N -4.04 2.08 -0.16 -2.53 1.48 -1.26 -4.65 118.94 109.86 1mua s TRP 245 Ca 0.52 -0.40 -0.09 0.00 -1.06 0.00 0.00 56.10 55.07 1mua s TRP 245 Cb 0.44 -1.11 -0.05 0.00 -1.16 0.00 0.00 33.47 31.59 1mua s TRP 245 CO -0.40 0.31 0.14 0.50 -4.06 0.00 0.00 176.95 173.44 1mua s ARG 246 N -2.13 3.87 0.79 3.25 3.52 -1.26 -4.97 118.95 122.02 1mua s ARG 246 Ca 0.12 -0.17 -0.13 0.00 -0.13 0.00 0.00 55.73 55.43 1mua s ARG 246 Cb -0.09 -3.32 0.07 0.00 -1.56 0.00 0.00 34.95 30.05 1mua s ARG 246 CO 0.06 0.51 1.18 -1.25 -0.81 0.00 0.00 175.30 174.98 1mua s PRO 247 N -0.24 1.82 0.55 5.12 0.04 -1.26 -4.63 135.00 136.40 1mua s PRO 247 Ca 0.11 1.63 -0.21 0.00 0.04 0.00 0.00 61.00 62.58 1mua s PRO 247 Cb -0.12 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1mua s PRO 247 CO 0.01 -2.05 1.32 0.00 0.04 0.00 0.00 177.00 176.32 1mua s ALA 248 N -2.28 2.76 0.25 8.56 0.00 -1.26 -4.40 121.76 125.40 1mua s ALA 248 Ca 0.71 1.25 0.10 0.00 0.00 0.00 0.00 51.96 54.02 1mua s ALA 248 Cb -0.26 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1mua s ALA 248 CO 0.50 -1.30 -0.07 -0.65 0.00 0.00 0.00 175.76 174.23 1mua s GLN 249 N -2.97 2.09 0.20 0.00 -1.52 0.70 -4.97 119.66 113.19 1mua s GLN 249 Ca 0.72 -1.48 -0.33 0.00 -1.95 0.00 0.00 55.36 52.33 1mua s GLN 249 Cb -0.38 -2.06 -0.13 0.00 -0.22 0.00 0.00 33.01 30.22 1mua s GLN 249 CO 0.44 0.37 1.62 -2.30 -0.25 0.00 0.00 175.29 175.18 1mua n PRO 250 N -0.63 2.43 0.12 2.91 -0.02 -1.26 -4.55 135.00 133.99 1mua n PRO 250 Ca -0.07 0.87 -0.01 0.00 -2.02 0.00 0.00 63.50 62.27 1mua n PRO 250 Cb 0.58 -2.67 0.23 0.00 -0.02 0.00 0.00 33.50 31.63 1mua n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1mua h LEU 251 N 6.03 0.17 -3.23 2.45 5.85 -1.95 -3.43 115.31 121.20 1mua h LEU 251 Ca -0.44 -0.07 -0.58 0.00 0.84 0.00 0.00 57.88 57.63 1mua h LEU 251 Cb 1.23 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1mua h LEU 251 CO 0.90 0.60 -0.98 0.29 -0.34 0.00 0.00 178.44 178.90 1mua n LYS 252 N -4.00 -0.79 0.00 1.25 5.02 -1.26 -2.75 118.16 115.63 1mua n LYS 252 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1mua n LYS 252 Cb 0.50 -3.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.36 1mua n LYS 252 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1mua n ASN 253 N -2.46 0.00 -4.28 4.39 2.04 -1.26 -5.02 115.26 108.66 1mua n ASN 253 Ca -0.18 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.62 1mua n ASN 253 Cb 0.61 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.95 1mua n ASN 253 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1mua n ARG 254 N 0.00 -0.12 -4.89 -3.83 1.74 -1.11 -5.01 116.66 103.44 1mua n ARG 254 Ca 0.00 -0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.80 1mua n ARG 254 Cb 0.00 -1.55 -0.16 0.00 -1.02 0.00 0.00 32.46 29.72 1mua n ARG 254 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1mua s GLN 255 N -2.94 2.05 -0.24 5.56 0.74 -1.26 -5.05 119.66 118.53 1mua s GLN 255 Ca 0.52 -0.64 -0.11 0.00 0.05 0.00 0.00 55.36 55.18 1mua s GLN 255 Cb -0.22 -1.70 -0.05 0.00 1.10 0.00 0.00 33.01 32.13 1mua s GLN 255 CO 0.71 0.20 0.20 0.42 -0.55 0.00 0.00 175.29 176.27 1mua s ILE 256 N 0.20 5.33 0.05 -2.34 1.01 -1.26 -4.70 121.20 119.49 1mua s ILE 256 Ca -0.09 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.85 1mua s ILE 256 Cb -0.14 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1mua s ILE 256 CO 0.04 0.33 0.04 -0.54 0.00 0.00 0.00 174.94 174.81 1mua s LYS 257 N 1.11 2.80 0.05 2.79 1.02 -0.80 -0.15 119.74 126.56 1mua s LYS 257 Ca 0.09 -0.68 0.07 0.00 0.02 0.00 0.00 55.97 55.47 1mua s LYS 257 Cb -0.14 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1mua s LYS 257 CO 0.05 0.59 -0.15 0.00 -0.92 0.00 0.00 175.35 174.92 1mua s ALA 258 N -1.26 2.75 -1.08 5.17 0.00 0.13 -1.06 121.76 126.41 1mua s ALA 258 Ca 0.25 -1.19 0.26 0.00 0.00 0.00 0.00 51.96 51.28 1mua s ALA 258 Cb -0.12 -0.83 0.69 0.00 0.00 0.00 0.00 23.12 22.86 1mua s ALA 258 CO 0.17 0.59 1.54 -1.13 0.00 0.00 0.00 175.76 176.93 1mua n SER 259 N 1.32 0.44 0.00 0.00 3.41 -0.31 -1.07 113.62 117.41 1mua n SER 259 Ca -0.15 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1mua n SER 259 Cb 0.52 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1mua n SER 259 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10