#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf9 s HIS 7 N 0.00 2.77 0.51 5.58 3.76 -1.26 -5.12 115.29 121.53 1uf9 s HIS 7 Ca 0.00 -1.54 -0.19 0.00 -0.15 0.00 0.00 55.06 53.18 1uf9 s HIS 7 Cb 0.00 -1.91 -0.08 0.00 1.11 0.00 0.00 32.58 31.70 1uf9 s HIS 7 CO 0.00 -0.75 1.02 -1.25 -0.85 0.00 0.00 174.74 172.91 1uf9 s PRO 8 N 1.21 3.78 -0.25 8.40 0.04 -1.26 -4.99 135.00 141.92 1uf9 s PRO 8 Ca 0.03 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.08 1uf9 s PRO 8 Cb -0.14 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1uf9 s PRO 8 CO -0.10 -0.43 0.57 0.96 0.04 0.00 0.00 177.00 178.04 1uf9 s ILE 9 N -2.25 5.03 -0.21 0.56 -4.36 0.01 -4.95 121.20 115.03 1uf9 s ILE 9 Ca 0.64 1.02 -0.15 0.00 -0.26 0.00 0.00 60.65 61.89 1uf9 s ILE 9 Cb -0.14 -3.88 -0.04 0.00 1.25 0.00 0.00 42.46 39.65 1uf9 s ILE 9 CO 0.25 0.07 0.37 -0.63 0.24 0.00 0.00 174.94 175.24 1uf9 s ILE 10 N 2.31 5.22 -0.06 8.37 1.09 -1.26 -2.22 121.20 134.64 1uf9 s ILE 10 Ca 0.24 0.63 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 1uf9 s ILE 10 Cb -0.16 -3.70 -0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1uf9 s ILE 10 CO 0.09 0.26 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.41 1uf9 s ILE 11 N 1.31 2.95 -0.13 2.92 -1.09 0.00 -1.54 121.20 125.62 1uf9 s ILE 11 Ca 0.17 -0.75 -0.09 0.00 -2.23 0.00 0.00 60.65 57.75 1uf9 s ILE 11 Cb -0.15 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 1uf9 s ILE 11 CO 0.08 0.58 0.17 -0.83 -1.23 0.00 0.00 174.94 173.71 1uf9 s GLY 12 N -0.50 2.17 -0.10 6.18 0.00 -0.95 -0.80 107.32 113.32 1uf9 s GLY 12 Ca 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 44.72 44.20 1uf9 s GLY 12 CO 0.02 -0.16 -0.12 -0.42 0.00 0.00 0.00 173.10 172.42 1uf9 s ILE 13 N -0.64 3.21 0.25 0.90 1.01 0.36 0.60 121.20 126.89 1uf9 s ILE 13 Ca 0.14 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1uf9 s ILE 13 Cb -0.12 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.06 1uf9 s ILE 13 CO 0.04 0.55 0.69 0.28 0.00 0.00 0.00 174.94 176.50 1uf9 s THR 14 N -0.16 0.00 0.00 2.92 -1.32 -0.74 -1.89 115.64 114.46 1uf9 s THR 14 Ca 0.00 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.70 1uf9 s THR 14 Cb -0.13 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.08 1uf9 s THR 14 CO 0.03 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1uf9 n GLY 15 N -0.44 0.40 2.25 6.08 0.00 -1.26 -0.63 105.19 111.59 1uf9 n GLY 15 Ca -0.07 -0.77 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 1uf9 n GLY 15 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uf9 n ASN 16 N 0.00 0.03 -4.77 1.61 4.13 -1.26 -4.76 115.26 110.24 1uf9 n ASN 16 Ca 0.00 -1.27 -0.40 0.00 1.68 0.00 0.00 54.58 54.59 1uf9 n ASN 16 Cb 0.00 -0.59 0.01 0.00 -1.54 0.00 0.00 39.78 37.65 1uf9 n ASN 16 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1uf9 s ILE 17 N -2.69 2.26 0.00 2.41 -1.09 -1.26 -2.23 121.20 118.60 1uf9 s ILE 17 Ca 0.44 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 1uf9 s ILE 17 Cb -0.01 -3.14 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1uf9 s ILE 17 CO 0.31 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1uf9 n GLY 18 N 0.59 1.53 0.42 6.18 0.00 -1.26 -4.80 105.19 107.85 1uf9 n GLY 18 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1uf9 n GLY 18 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1uf9 h SER 19 N 0.00 -1.26 0.00 1.61 4.64 -1.77 -3.43 113.55 113.34 1uf9 h SER 19 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1uf9 h SER 19 Cb 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1uf9 h SER 19 CO 0.00 -0.49 0.00 0.61 -0.87 0.00 0.00 176.83 176.08 1uf9 n GLY 20 N -1.47 0.93 0.41 -0.77 0.00 -1.26 -4.72 105.19 98.31 1uf9 n GLY 20 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.14 1uf9 n GLY 20 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uf9 h LYS 21 N 1.67 0.00 -0.69 1.61 2.10 -1.90 0.15 116.57 119.51 1uf9 h LYS 21 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1uf9 h LYS 21 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 1uf9 h LYS 21 CO 0.00 0.00 0.43 0.77 -2.00 0.00 0.00 179.45 178.65 1uf9 h SER 22 N 0.00 0.71 -0.54 7.07 0.02 -2.00 -2.04 113.55 116.78 1uf9 h SER 22 Ca 0.22 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1uf9 h SER 22 Cb 1.63 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 1uf9 h SER 22 CO -0.00 0.49 0.36 0.74 -1.14 0.00 0.00 176.83 177.27 1uf9 h THR 23 N 0.85 1.12 -0.35 -2.27 2.02 -1.12 0.18 112.91 113.34 1uf9 h THR 23 Ca 0.28 -0.24 -0.17 0.00 0.77 0.00 0.00 66.41 67.05 1uf9 h THR 23 Cb 0.02 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1uf9 h THR 23 CO -0.11 0.13 -0.43 0.58 0.37 0.00 0.00 175.52 176.06 1uf9 h VAL 24 N 0.70 1.27 -0.16 3.16 2.07 -1.47 0.24 116.25 122.07 1uf9 h VAL 24 Ca 0.20 -1.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1uf9 h VAL 24 Cb -0.05 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1uf9 h VAL 24 CO -0.05 0.54 0.01 0.00 0.02 0.00 0.00 177.57 178.09 1uf9 h ALA 25 N 0.76 0.22 -0.96 1.67 0.00 -0.88 0.12 119.26 120.19 1uf9 h ALA 25 Ca 0.05 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.90 1uf9 h ALA 25 Cb 1.03 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1uf9 h ALA 25 CO 0.10 -0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.87 1uf9 h ALA 26 N 0.79 1.61 -0.24 0.00 0.00 -0.52 0.38 119.26 121.27 1uf9 h ALA 26 Ca 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1uf9 h ALA 26 Cb 0.34 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1uf9 h ALA 26 CO 0.01 0.16 0.04 -0.07 0.00 0.00 0.00 179.25 179.39 1uf9 h LEU 27 N 0.92 0.38 -0.85 0.00 3.38 0.20 0.17 115.31 119.51 1uf9 h LEU 27 Ca 0.47 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1uf9 h LEU 27 Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uf9 h LEU 27 CO -0.24 0.54 -0.25 -0.07 0.09 0.00 0.00 178.44 178.51 1uf9 h LEU 28 N 0.21 0.58 0.38 1.67 3.38 0.11 -1.36 115.31 120.28 1uf9 h LEU 28 Ca 0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1uf9 h LEU 28 Cb 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1uf9 h LEU 28 CO 0.00 0.82 -0.18 0.03 0.09 0.00 0.00 178.44 179.20 1uf9 h ARG 29 N 0.50 -0.49 -0.90 1.13 2.47 -0.07 -0.41 114.38 116.62 1uf9 h ARG 29 Ca 0.07 0.03 0.16 0.00 -1.26 0.00 0.00 59.98 58.98 1uf9 h ARG 29 Cb 0.70 0.11 -0.10 0.00 -1.65 0.00 0.00 29.97 29.03 1uf9 h ARG 29 CO 0.05 -0.32 0.49 0.77 0.56 0.00 0.00 179.97 181.52 1uf9 h SER 30 N -0.51 0.61 0.00 7.04 0.02 -0.40 0.13 113.55 120.45 1uf9 h SER 30 Ca -0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1uf9 h SER 30 Cb 0.39 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1uf9 h SER 30 CO 0.08 0.25 0.00 0.79 -1.14 0.00 0.00 176.83 176.81 1uf9 n TRP 31 N -4.83 0.00 -1.80 3.45 8.01 -0.53 -4.90 117.44 116.83 1uf9 n TRP 31 Ca 0.19 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.38 1uf9 n TRP 31 Cb 0.47 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 1uf9 n TRP 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1uf9 n GLY 32 N 0.71 0.95 3.36 6.99 0.00 0.47 -5.05 105.19 112.61 1uf9 n GLY 32 Ca 0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1uf9 n GLY 32 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uf9 s TYR 33 N -2.71 2.43 0.10 1.61 1.51 -0.22 -5.02 117.35 115.05 1uf9 s TYR 33 Ca 0.00 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1uf9 s TYR 33 Cb 0.00 -1.53 -0.06 0.00 -0.11 0.00 0.00 41.96 40.25 1uf9 s TYR 33 CO 0.00 0.03 1.20 -2.14 -1.11 0.00 0.00 175.55 173.53 1uf9 s PRO 34 N -0.67 4.45 -0.21 -1.71 0.02 -1.26 -4.24 135.00 131.38 1uf9 s PRO 34 Ca 0.11 1.80 -0.04 0.00 0.02 0.00 0.00 61.00 62.89 1uf9 s PRO 34 Cb -0.10 -3.31 0.07 0.00 0.02 0.00 0.00 34.50 31.18 1uf9 s PRO 34 CO -0.00 -0.20 0.08 0.08 -0.33 0.00 0.00 177.00 176.62 1uf9 s VAL 35 N 0.73 0.22 0.09 3.83 1.01 -1.25 -1.54 120.40 123.49 1uf9 s VAL 35 Ca 0.57 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.85 1uf9 s VAL 35 Cb -0.30 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 1uf9 s VAL 35 CO 0.31 -0.37 0.57 -0.76 0.00 0.00 0.00 175.10 174.85 1uf9 s LEU 36 N 1.99 4.48 -0.45 3.92 1.43 0.20 -4.88 118.68 125.37 1uf9 s LEU 36 Ca 0.03 1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 54.23 1uf9 s LEU 36 Cb -0.16 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1uf9 s LEU 36 CO -0.15 0.23 0.34 -0.62 0.23 0.00 0.00 176.35 176.38 1uf9 s ASP 37 N -1.25 5.96 0.40 2.29 2.15 -1.26 0.62 116.67 125.57 1uf9 s ASP 37 Ca 0.31 -1.34 0.09 0.00 0.43 0.00 0.00 52.55 52.04 1uf9 s ASP 37 Cb -0.18 -2.11 0.88 0.00 -0.30 0.00 0.00 42.92 41.21 1uf9 s ASP 37 CO 0.19 -0.59 2.00 -0.07 -0.17 0.00 0.00 175.17 176.53 1uf9 h LEU 38 N 8.62 0.50 -0.83 -1.34 -0.00 -1.84 -1.92 115.31 118.50 1uf9 h LEU 38 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.57 1uf9 h LEU 38 Cb 1.10 -0.11 -0.04 0.00 -0.00 0.00 0.00 40.66 41.62 1uf9 h LEU 38 CO 0.82 0.33 0.32 0.44 -0.00 0.00 0.00 178.44 180.35 1uf9 h ASP 39 N 0.57 1.09 -0.55 -0.43 3.32 -1.94 0.98 116.42 119.46 1uf9 h ASP 39 Ca 0.25 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1uf9 h ASP 39 Cb 0.26 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1uf9 h ASP 39 CO -0.07 0.96 -0.03 0.00 -1.72 0.00 0.00 179.24 178.38 1uf9 h ALA 40 N 1.19 0.86 -0.63 3.45 0.00 -1.77 0.23 119.26 122.60 1uf9 h ALA 40 Ca 0.27 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1uf9 h ALA 40 Cb 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1uf9 h ALA 40 CO -0.02 0.66 0.27 -0.07 0.00 0.00 0.00 179.25 180.08 1uf9 h LEU 41 N 0.92 0.85 -0.47 0.00 3.38 -0.86 0.10 115.31 119.24 1uf9 h LEU 41 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1uf9 h LEU 41 Cb 0.58 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1uf9 h LEU 41 CO 0.03 0.78 0.19 0.00 0.09 0.00 0.00 178.44 179.53 1uf9 h ALA 42 N 1.11 0.60 -0.60 1.53 0.00 -0.29 0.86 119.26 122.48 1uf9 h ALA 42 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1uf9 h ALA 42 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1uf9 h ALA 42 CO -0.02 0.21 0.36 0.00 0.00 0.00 0.00 179.25 179.80 1uf9 h ALA 43 N 1.04 0.77 -0.09 0.00 0.00 -0.09 0.27 119.26 121.16 1uf9 h ALA 43 Ca 0.16 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1uf9 h ALA 43 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1uf9 h ALA 43 CO -0.01 0.08 -0.23 0.00 0.00 0.00 0.00 179.25 179.09 1uf9 h ARG 44 N 0.70 0.31 -0.28 0.00 3.08 -0.24 -1.76 114.38 116.19 1uf9 h ARG 44 Ca 0.24 -0.22 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1uf9 h ARG 44 Cb 0.04 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 1uf9 h ARG 44 CO -0.11 0.83 -0.22 0.00 -1.07 0.00 0.00 179.97 179.39 1uf9 h ALA 45 N 0.48 -0.07 -0.60 0.04 0.00 0.95 0.77 119.26 120.83 1uf9 h ALA 45 Ca -0.00 0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1uf9 h ALA 45 Cb 0.84 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1uf9 h ALA 45 CO 0.05 -0.64 0.46 -0.09 0.00 0.00 0.00 179.25 179.03 1uf9 h ARG 46 N -0.21 0.00 0.15 0.00 2.43 -0.40 -0.99 114.38 115.35 1uf9 h ARG 46 Ca 0.15 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.08 1uf9 h ARG 46 Cb 0.44 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1uf9 h ARG 46 CO -0.40 0.00 -1.11 1.49 -1.51 0.00 0.00 179.97 178.44 1uf9 h GLU 47 N 0.00 0.31 0.00 0.20 4.81 0.12 -3.27 114.58 116.75 1uf9 h GLU 47 Ca 0.29 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1uf9 h GLU 47 Cb 1.20 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 1uf9 h GLU 47 CO -0.00 1.25 -0.16 -0.91 -0.73 0.00 0.00 179.01 178.46 1uf9 h ASN 48 N -0.29 0.00 -1.42 1.04 2.35 0.10 -2.82 115.58 114.54 1uf9 h ASN 48 Ca -0.21 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 54.87 1uf9 h ASN 48 Cb 1.75 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.77 1uf9 h ASN 48 CO 0.13 0.16 0.19 0.29 -1.65 0.00 0.00 177.43 176.55 1uf9 n LYS 49 N -4.24 3.08 0.04 0.81 5.02 -0.49 -4.68 118.16 117.71 1uf9 n LYS 49 Ca -0.02 -3.86 -0.10 0.00 -2.02 0.00 0.00 58.31 52.30 1uf9 n LYS 49 Cb 0.23 -2.27 -0.08 0.00 -0.02 0.00 0.00 35.03 32.89 1uf9 n LYS 49 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1uf9 h GLU 50 N 2.52 -0.17 -0.94 1.97 4.81 -1.55 -2.66 114.58 118.56 1uf9 h GLU 50 Ca 0.47 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 59.96 1uf9 h GLU 50 Cb 0.72 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.97 1uf9 h GLU 50 CO 1.19 0.28 0.04 1.05 -0.73 0.00 0.00 179.01 180.84 1uf9 h GLU 51 N -0.87 0.04 0.57 1.92 9.09 -1.86 0.30 114.58 123.77 1uf9 h GLU 51 Ca -0.02 -0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1uf9 h GLU 51 Cb 0.53 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1uf9 h GLU 51 CO 0.03 0.03 -0.27 0.93 0.05 0.00 0.00 179.01 179.77 1uf9 h GLU 52 N 0.04 -0.74 -1.47 1.06 5.08 -1.92 -3.06 114.58 113.56 1uf9 h GLU 52 Ca 0.56 0.05 0.43 0.00 -1.00 0.00 0.00 59.36 59.40 1uf9 h GLU 52 Cb 1.13 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 1uf9 h GLU 52 CO -0.86 -0.44 1.06 -0.07 -1.00 0.00 0.00 179.01 177.71 1uf9 h LEU 53 N -1.09 0.00 -1.27 1.33 3.38 -0.64 1.45 115.31 118.47 1uf9 h LEU 53 Ca -0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1uf9 h LEU 53 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1uf9 h LEU 53 CO 0.13 0.00 -0.36 0.11 0.09 0.00 0.00 178.44 178.41 1uf9 h LYS 54 N 0.00 0.00 0.00 1.13 1.57 -0.98 -0.78 116.57 117.52 1uf9 h LYS 54 Ca 0.70 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.28 1uf9 h LYS 54 Cb 2.82 0.00 0.02 0.00 0.08 0.00 0.00 32.23 35.15 1uf9 h LYS 54 CO -0.01 0.36 -0.80 0.00 -0.57 0.00 0.00 179.45 178.44 1uf9 h ARG 55 N 0.00 0.54 0.00 3.15 3.08 0.19 -1.59 114.38 119.75 1uf9 h ARG 55 Ca -0.00 -0.58 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1uf9 h ARG 55 Cb 0.66 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1uf9 h ARG 55 CO 0.05 1.21 0.00 1.28 -1.07 0.00 0.00 179.97 181.43 1uf9 n LEU 56 N -4.06 0.37 -2.84 3.04 4.32 -1.03 -3.99 117.00 112.81 1uf9 n LEU 56 Ca -0.11 0.55 -0.12 0.00 -0.02 0.00 0.00 56.01 56.32 1uf9 n LEU 56 Cb 0.77 -0.45 0.02 0.00 -1.62 0.00 0.00 43.42 42.14 1uf9 n LEU 56 CO 0.51 -0.19 -0.05 0.49 -1.22 0.00 0.00 177.39 176.93 1uf9 n PHE 57 N -1.86 0.17 0.22 -1.77 3.01 -0.31 -4.95 117.46 111.96 1uf9 n PHE 57 Ca 0.05 -2.98 0.11 0.00 1.01 0.00 0.00 57.45 55.65 1uf9 n PHE 57 Cb 0.32 -0.04 0.61 0.00 -0.01 0.00 0.00 39.48 40.36 1uf9 n PHE 57 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uf9 h PRO 58 N 2.89 0.00 -1.00 -1.08 0.13 -1.42 0.01 132.00 131.54 1uf9 h PRO 58 Ca -0.06 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.73 1uf9 h PRO 58 Cb 1.12 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.05 1uf9 h PRO 58 CO 0.41 0.00 0.43 0.39 -0.23 0.00 0.00 178.00 179.00 1uf9 n GLU 59 N -2.39 1.83 0.00 0.86 4.71 -1.26 -3.51 120.64 120.88 1uf9 n GLU 59 Ca -0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 57.16 55.16 1uf9 n GLU 59 Cb 0.22 -1.78 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 1uf9 n GLU 59 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uf9 n ALA 60 N -0.58 0.77 -3.27 0.62 0.00 -0.01 -4.90 120.51 113.14 1uf9 n ALA 60 Ca 0.39 -0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.06 1uf9 n ALA 60 Cb 1.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.72 1uf9 n ALA 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uf9 n VAL 61 N 0.00 4.66 -3.01 0.00 0.31 -1.23 -1.28 118.33 117.79 1uf9 n VAL 61 Ca 0.00 -5.52 -0.44 0.00 -0.01 0.00 0.00 64.34 58.37 1uf9 n VAL 61 Cb 0.44 -2.43 -0.04 0.00 -0.91 0.00 0.00 33.84 30.90 1uf9 n VAL 61 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1uf9 s VAL 62 N -1.72 4.68 0.00 2.52 1.01 -1.12 -4.22 120.40 121.54 1uf9 s VAL 62 Ca 0.31 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1uf9 s VAL 62 Cb -0.06 -4.60 0.00 0.00 0.00 0.00 0.00 36.38 31.73 1uf9 s VAL 62 CO -0.03 -1.29 0.00 0.61 0.00 0.00 0.00 175.10 174.39 1uf9 n GLY 63 N 5.27 0.55 4.30 4.51 0.00 -1.26 -4.49 105.19 114.07 1uf9 n GLY 63 Ca -0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1uf9 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uf9 n GLY 64 N -0.09 -0.28 3.58 -0.02 0.00 -1.26 -4.90 105.19 102.21 1uf9 n GLY 64 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1uf9 n GLY 64 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uf9 s ARG 65 N -7.11 0.73 -0.13 1.61 3.00 -1.26 -5.14 118.95 110.65 1uf9 s ARG 65 Ca 0.38 0.36 -0.29 0.00 -1.00 0.00 0.00 55.73 55.18 1uf9 s ARG 65 Cb -0.22 0.35 -0.01 0.00 0.00 0.00 0.00 34.95 35.07 1uf9 s ARG 65 CO 0.97 -0.19 1.06 -1.17 0.00 0.00 0.00 175.30 175.97 1uf9 s LEU 66 N -0.69 4.21 -0.37 -0.88 2.96 -1.26 -2.81 118.68 119.84 1uf9 s LEU 66 Ca -0.03 1.54 -0.18 0.00 -0.22 0.00 0.00 54.13 55.24 1uf9 s LEU 66 Cb -0.02 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1uf9 s LEU 66 CO 0.02 -0.54 0.50 -0.62 -1.32 0.00 0.00 176.35 174.39 1uf9 s ASP 67 N 1.23 6.28 0.21 3.68 2.15 -0.40 -4.97 116.67 124.85 1uf9 s ASP 67 Ca 0.49 -0.18 -0.10 0.00 0.43 0.00 0.00 52.55 53.18 1uf9 s ASP 67 Cb -0.19 -2.26 0.29 0.00 -0.30 0.00 0.00 42.92 40.47 1uf9 s ASP 67 CO 0.15 -0.51 1.69 -0.09 -0.17 0.00 0.00 175.17 176.24 1uf9 h ARG 68 N 8.55 0.18 -0.16 4.34 2.43 -1.95 -0.10 114.38 127.67 1uf9 h ARG 68 Ca -0.28 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.89 1uf9 h ARG 68 Cb 1.12 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1uf9 h ARG 68 CO 0.78 0.12 0.09 0.00 -1.51 0.00 0.00 179.97 179.45 1uf9 h ARG 69 N 0.19 0.18 0.45 0.20 3.08 -1.96 0.28 114.38 116.80 1uf9 h ARG 69 Ca 0.32 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 1uf9 h ARG 69 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1uf9 h ARG 69 CO -0.46 0.12 -0.22 0.00 -1.07 0.00 0.00 179.97 178.34 1uf9 h ALA 70 N 1.07 -0.61 -0.61 0.04 0.00 -1.74 -1.84 119.26 115.57 1uf9 h ALA 70 Ca 0.06 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.93 1uf9 h ALA 70 Cb 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 1uf9 h ALA 70 CO -0.03 -0.80 0.16 1.25 0.00 0.00 0.00 179.25 179.82 1uf9 h LEU 71 N -0.69 0.06 -0.03 0.00 7.12 -0.98 -0.30 115.31 120.50 1uf9 h LEU 71 Ca -0.06 0.11 0.03 0.00 0.13 0.00 0.00 57.88 58.09 1uf9 h LEU 71 Cb 0.51 0.13 -0.06 0.00 -0.53 0.00 0.00 40.66 40.71 1uf9 h LEU 71 CO 0.10 0.04 -0.42 0.00 -0.13 0.00 0.00 178.44 178.03 1uf9 h ALA 72 N 1.47 -0.65 0.11 1.25 0.00 -0.13 0.44 119.26 121.74 1uf9 h ALA 72 Ca 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1uf9 h ALA 72 Cb 0.46 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1uf9 h ALA 72 CO -0.38 -0.95 -0.06 0.00 0.00 0.00 0.00 179.25 177.85 1uf9 h ARG 73 N -0.55 -0.16 -0.82 0.00 3.08 -0.78 -0.26 114.38 114.88 1uf9 h ARG 73 Ca 0.05 0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.43 1uf9 h ARG 73 Cb 0.65 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.58 1uf9 h ARG 73 CO -0.34 -0.10 0.34 -0.11 -1.07 0.00 0.00 179.97 178.68 1uf9 n LEU 74 N -2.52 0.19 -0.07 3.04 7.94 -0.17 -1.49 117.00 123.92 1uf9 n LEU 74 Ca -0.02 1.37 -0.12 0.00 -1.11 0.00 0.00 56.01 56.13 1uf9 n LEU 74 Cb 0.07 -0.63 -0.09 0.00 0.53 0.00 0.00 43.42 43.30 1uf9 n LEU 74 CO 0.05 -1.50 0.11 0.58 -1.11 0.00 0.00 177.39 175.53 1uf9 h VAL 75 N 0.00 1.16 0.00 1.96 2.07 -0.02 -3.35 116.25 118.07 1uf9 h VAL 75 Ca 0.65 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1uf9 h VAL 75 Cb 1.64 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.69 1uf9 h VAL 75 CO -0.67 0.39 0.00 0.49 0.02 0.00 0.00 177.57 177.81 1uf9 n PHE 76 N -4.62 0.00 0.03 1.57 3.72 -0.12 -3.13 117.46 114.91 1uf9 n PHE 76 Ca -0.11 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1uf9 n PHE 76 Cb 0.40 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 1uf9 n PHE 76 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uf9 n SER 77 N 1.64 0.35 -3.96 4.37 2.88 -1.13 -4.95 113.62 112.82 1uf9 n SER 77 Ca 0.00 0.10 -0.29 0.00 -1.33 0.00 0.00 58.87 57.36 1uf9 n SER 77 Cb 0.29 -0.07 -0.17 0.00 -0.75 0.00 0.00 64.21 63.52 1uf9 n SER 77 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1uf9 s ASP 78 N -5.33 2.49 0.57 -3.46 -4.77 -1.18 -5.03 116.67 99.96 1uf9 s ASP 78 Ca 0.00 -0.43 0.32 0.00 -3.30 0.00 0.00 52.55 49.15 1uf9 s ASP 78 Cb 0.00 -1.03 1.42 0.00 -1.09 0.00 0.00 42.92 42.22 1uf9 s ASP 78 CO 0.00 -0.09 1.75 -0.65 0.70 0.00 0.00 175.17 176.88 1uf9 h PRO 79 N 8.11 0.00 -0.46 2.11 0.11 -1.96 -2.61 132.00 137.30 1uf9 h PRO 79 Ca -0.34 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1uf9 h PRO 79 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1uf9 h PRO 79 CO 0.47 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.70 1uf9 h GLU 80 N 0.00 0.84 0.04 1.05 4.81 -1.96 -1.62 114.58 117.75 1uf9 h GLU 80 Ca 0.42 -0.29 -0.25 0.00 -0.13 0.00 0.00 59.36 59.10 1uf9 h GLU 80 Cb 1.98 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 31.31 1uf9 h GLU 80 CO -0.00 0.92 -1.06 0.00 -0.73 0.00 0.00 179.01 178.14 1uf9 h ARG 81 N 0.69 0.49 -0.95 1.92 3.08 -1.80 -2.97 114.38 114.83 1uf9 h ARG 81 Ca 0.12 -0.58 0.11 0.00 0.07 0.00 0.00 59.98 59.70 1uf9 h ARG 81 Cb 0.57 0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.72 1uf9 h ARG 81 CO 0.03 1.22 0.58 1.25 -1.07 0.00 0.00 179.97 181.98 1uf9 h LEU 82 N 0.25 0.84 -0.67 3.04 6.46 -1.43 0.40 115.31 124.22 1uf9 h LEU 82 Ca -0.12 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 1uf9 h LEU 82 Cb 1.72 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 41.50 1uf9 h LEU 82 CO 0.19 0.45 0.25 0.11 -0.62 0.00 0.00 178.44 178.82 1uf9 h LYS 83 N 0.93 1.01 0.00 1.25 1.57 -1.22 -0.60 116.57 119.51 1uf9 h LYS 83 Ca 0.47 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1uf9 h LYS 83 Cb 0.46 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1uf9 h LYS 83 CO -0.26 0.85 -0.31 0.00 -0.57 0.00 0.00 179.45 179.16 1uf9 h ALA 84 N 1.11 1.40 0.63 3.86 0.00 -1.01 0.86 119.26 126.11 1uf9 h ALA 84 Ca 0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1uf9 h ALA 84 Cb 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1uf9 h ALA 84 CO -0.01 0.39 -0.30 1.25 0.00 0.00 0.00 179.25 180.57 1uf9 h LEU 85 N 0.00 -0.72 -0.39 0.00 6.46 -0.36 -2.95 115.31 117.36 1uf9 h LEU 85 Ca -0.00 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.86 1uf9 h LEU 85 Cb 0.58 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.62 1uf9 h LEU 85 CO 0.04 -0.35 -0.11 -0.33 -0.62 0.00 0.00 178.44 177.08 1uf9 h GLU 86 N -1.18 -0.01 -0.52 1.25 5.08 -0.86 0.56 114.58 118.91 1uf9 h GLU 86 Ca -0.09 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.42 1uf9 h GLU 86 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1uf9 h GLU 86 CO 0.14 -0.01 0.74 0.00 -1.00 0.00 0.00 179.01 178.88 1uf9 h ALA 87 N 1.36 2.27 0.00 3.43 0.00 0.75 1.21 119.26 128.28 1uf9 h ALA 87 Ca 0.19 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.69 1uf9 h ALA 87 Cb 0.30 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1uf9 h ALA 87 CO -0.41 -1.00 -2.46 0.28 0.00 0.00 0.00 179.25 175.66 1uf9 n VAL 88 N -3.31 1.47 0.11 0.00 0.31 -0.28 -4.53 118.33 112.09 1uf9 n VAL 88 Ca 0.10 -0.55 -0.09 0.00 -0.01 0.00 0.00 64.34 63.80 1uf9 n VAL 88 Cb 0.92 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1uf9 n VAL 88 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1uf9 h VAL 89 N -0.07 0.40 -0.86 2.52 2.07 0.13 -3.34 116.25 117.10 1uf9 h VAL 89 Ca -0.58 -0.89 0.10 0.00 0.82 0.00 0.00 66.70 66.15 1uf9 h VAL 89 Cb 1.87 0.68 -0.12 0.00 -1.52 0.00 0.00 31.29 32.19 1uf9 h VAL 89 CO -0.11 0.11 -0.52 0.45 0.02 0.00 0.00 177.57 177.52 1uf9 h HIS 90 N -1.00 -1.60 -0.51 1.57 3.86 0.11 -0.61 115.15 116.98 1uf9 h HIS 90 Ca -0.04 0.11 0.10 0.00 -1.16 0.00 0.00 60.37 59.39 1uf9 h HIS 90 Cb 0.44 0.81 -0.09 0.00 1.06 0.00 0.00 27.41 29.63 1uf9 h HIS 90 CO 0.04 -0.40 -0.08 -1.00 0.86 0.00 0.00 177.93 177.35 1uf9 h PRO 91 N -0.09 0.04 -0.86 2.45 0.13 -1.74 0.43 132.00 132.36 1uf9 h PRO 91 Ca 0.19 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.43 1uf9 h PRO 91 Cb 0.50 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 31.54 1uf9 h PRO 91 CO -0.87 0.03 0.50 1.49 -0.23 0.00 0.00 178.00 178.92 1uf9 h GLU 92 N 0.04 0.79 -0.22 0.86 4.57 -1.30 0.10 114.58 119.41 1uf9 h GLU 92 Ca 0.25 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 1uf9 h GLU 92 Cb 0.38 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1uf9 h GLU 92 CO -0.49 0.52 0.16 0.28 -1.18 0.00 0.00 179.01 178.30 1uf9 h VAL 93 N 0.81 0.90 0.10 0.32 2.07 0.50 0.59 116.25 121.55 1uf9 h VAL 93 Ca 0.43 -0.01 -0.29 0.00 0.82 0.00 0.00 66.70 67.65 1uf9 h VAL 93 Cb 0.42 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1uf9 h VAL 93 CO -0.27 0.01 -1.41 0.03 0.02 0.00 0.00 177.57 175.95 1uf9 h ARG 94 N 0.03 0.22 -0.77 1.57 3.08 -0.52 -1.96 114.38 116.03 1uf9 h ARG 94 Ca 0.11 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 59.83 1uf9 h ARG 94 Cb 0.39 0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 1uf9 h ARG 94 CO -0.00 1.10 0.46 -0.09 -1.07 0.00 0.00 179.97 180.37 1uf9 h ARG 95 N 0.06 0.83 -0.19 0.04 1.12 0.23 -2.13 114.38 114.35 1uf9 h ARG 95 Ca -0.19 -0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.50 1uf9 h ARG 95 Cb 1.98 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 31.76 1uf9 h ARG 95 CO 0.17 0.55 -0.35 -0.07 -3.11 0.00 0.00 179.97 177.15 1uf9 h LEU 96 N 0.86 0.64 -1.43 3.80 3.38 -0.98 -2.45 115.31 119.13 1uf9 h LEU 96 Ca 0.34 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uf9 h LEU 96 Cb 0.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1uf9 h LEU 96 CO -0.17 1.06 0.00 -0.11 0.09 0.00 0.00 178.44 179.32 1uf9 n LEU 97 N -4.29 0.00 0.00 1.67 7.94 -0.74 -1.22 117.00 120.36 1uf9 n LEU 97 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1uf9 n LEU 97 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1uf9 n LEU 97 CO 0.45 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.94 1uf9 n GLU 99 N 0.65 0.00 -0.04 1.96 2.13 -0.92 -2.24 120.64 122.18 1uf9 n GLU 99 Ca 0.00 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.74 1uf9 n GLU 99 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1uf9 n GLU 99 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1uf9 h GLU 100 N 0.00 0.03 0.00 5.31 4.39 -1.46 -0.35 114.58 122.50 1uf9 h GLU 100 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1uf9 h GLU 100 Cb 0.00 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1uf9 h GLU 100 CO 0.00 0.02 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.71 1uf9 h LEU 101 N 0.03 0.00 -2.37 1.33 3.38 -1.71 0.61 115.31 116.59 1uf9 h LEU 101 Ca 0.10 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1uf9 h LEU 101 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1uf9 h LEU 101 CO -0.18 0.09 0.03 -1.28 0.09 0.00 0.00 178.44 177.18 1uf9 h SER 102 N 0.00 0.00 0.64 -0.43 0.87 -1.33 -2.16 113.55 111.13 1uf9 h SER 102 Ca -0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 1uf9 h SER 102 Cb 0.17 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1uf9 h SER 102 CO 0.01 0.00 -1.51 0.54 -0.53 0.00 0.00 176.83 175.34 1uf9 n ARG 103 N -3.95 0.62 -2.78 2.24 1.74 0.18 -4.88 116.66 109.83 1uf9 n ARG 103 Ca -0.02 0.26 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 1uf9 n ARG 103 Cb 0.12 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 1uf9 n ARG 103 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uf9 s LEU 104 N -5.90 4.50 0.00 0.55 1.43 -0.81 -4.91 118.68 113.53 1uf9 s LEU 104 Ca -0.03 1.73 0.12 0.00 -1.03 0.00 0.00 54.13 54.92 1uf9 s LEU 104 Cb 0.08 -3.52 0.32 0.00 0.03 0.00 0.00 46.19 43.11 1uf9 s LEU 104 CO 0.82 -0.03 1.25 -0.62 0.23 0.00 0.00 176.35 177.99 1uf9 n GLU 105 N 2.70 2.63 -2.24 1.70 1.02 -1.26 -4.95 120.64 120.24 1uf9 n GLU 105 Ca 0.01 -2.04 -0.33 0.00 -0.02 0.00 0.00 57.16 54.78 1uf9 n GLU 105 Cb 0.49 -1.30 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 1uf9 n GLU 105 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1uf9 s ALA 106 N -1.01 2.81 -0.18 0.62 0.00 -1.26 -5.00 121.76 117.74 1uf9 s ALA 106 Ca 0.25 0.45 0.16 0.00 0.00 0.00 0.00 51.96 52.82 1uf9 s ALA 106 Cb 0.13 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 20.08 1uf9 s ALA 106 CO 0.18 -0.60 1.34 -1.00 0.00 0.00 0.00 175.76 175.68 1uf9 h PRO 107 N 0.85 0.00 -4.94 0.00 0.13 -1.95 -3.41 132.00 122.67 1uf9 h PRO 107 Ca -0.48 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 1uf9 h PRO 107 Cb 1.22 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.02 1uf9 h PRO 107 CO 0.58 0.40 -0.84 -1.17 -0.23 0.00 0.00 178.00 176.74 1uf9 s LEU 108 N -6.28 1.84 0.00 1.56 0.20 -1.26 -0.81 118.68 113.93 1uf9 s LEU 108 Ca 0.03 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.48 1uf9 s LEU 108 Cb 0.08 -1.06 -0.01 0.00 -0.43 0.00 0.00 46.19 44.76 1uf9 s LEU 108 CO 0.75 0.10 -0.11 -0.69 -0.29 0.00 0.00 176.35 176.11 1uf9 s VAL 109 N 0.46 0.83 -0.03 1.68 1.01 -0.94 -4.42 120.40 118.99 1uf9 s VAL 109 Ca -0.15 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1uf9 s VAL 109 Cb -0.16 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1uf9 s VAL 109 CO 0.05 0.17 -0.19 -0.36 0.00 0.00 0.00 175.10 174.77 1uf9 s PHE 110 N -0.38 2.54 -0.09 5.22 0.40 -0.59 -0.82 117.98 124.26 1uf9 s PHE 110 Ca 0.03 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.11 1uf9 s PHE 110 Cb -0.05 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1uf9 s PHE 110 CO -0.00 0.10 -0.18 -0.51 0.70 0.00 0.00 175.22 175.34 1uf9 s LEU 111 N -0.76 2.49 -0.58 -0.37 1.43 0.02 0.61 118.68 121.51 1uf9 s LEU 111 Ca 0.11 -0.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 1uf9 s LEU 111 Cb -0.10 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.69 1uf9 s LEU 111 CO 0.00 0.23 0.72 -0.70 0.23 0.00 0.00 176.35 176.84 1uf9 s GLU 112 N -0.08 3.07 -0.66 1.70 2.12 0.20 -0.48 118.70 124.57 1uf9 s GLU 112 Ca -0.04 -1.16 0.05 0.00 0.36 0.00 0.00 54.97 54.18 1uf9 s GLU 112 Cb -0.14 -4.23 0.16 0.00 0.26 0.00 0.00 34.13 30.19 1uf9 s GLU 112 CO 0.04 -1.51 0.45 0.42 -0.54 0.00 0.00 175.26 174.12 1uf9 s ILE 113 N 2.86 2.74 0.41 -3.70 1.01 -0.79 -2.28 121.20 121.45 1uf9 s ILE 113 Ca 0.14 -4.06 -0.26 0.00 0.00 0.00 0.00 60.65 56.47 1uf9 s ILE 113 Cb -0.22 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 1uf9 s ILE 113 CO 0.08 -0.98 1.34 -2.16 0.00 0.00 0.00 174.94 173.22 1uf9 s PRO 114 N -1.20 3.96 -0.30 2.79 0.04 -1.26 -1.03 135.00 138.00 1uf9 s PRO 114 Ca 0.24 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1uf9 s PRO 114 Cb -0.08 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1uf9 s PRO 114 CO -0.14 -0.53 0.00 1.28 0.04 0.00 0.00 177.00 177.65 1uf9 n LEU 115 N 0.15 -1.13 0.24 -3.56 4.77 -1.26 -4.97 117.00 111.24 1uf9 n LEU 115 Ca 0.03 -0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1uf9 n LEU 115 Cb 0.43 -0.90 -0.08 0.00 -2.33 0.00 0.00 43.42 40.54 1uf9 n LEU 115 CO 0.57 -0.04 0.68 0.25 -1.33 0.00 0.00 177.39 177.52 1uf9 h LEU 116 N 0.00 -0.48 -1.11 2.23 6.46 -1.45 -2.81 115.31 118.16 1uf9 h LEU 116 Ca -0.08 -0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.57 1uf9 h LEU 116 Cb 1.03 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1uf9 h LEU 116 CO 0.10 -0.28 -0.36 -0.26 -0.62 0.00 0.00 178.44 177.02 1uf9 h PHE 117 N -0.65 0.00 -0.42 1.25 0.05 -1.93 -2.83 116.94 112.42 1uf9 h PHE 117 Ca -0.06 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.62 1uf9 h PHE 117 Cb 0.48 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 1uf9 h PHE 117 CO -0.03 0.36 -0.20 0.93 -0.18 0.00 0.00 178.31 179.19 1uf9 h GLU 118 N 0.00 0.82 -0.57 1.51 3.07 -1.93 -3.22 114.58 114.25 1uf9 h GLU 118 Ca -0.00 -0.33 -0.19 0.00 -0.50 0.00 0.00 59.36 58.34 1uf9 h GLU 118 Cb 0.80 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.55 1uf9 h GLU 118 CO 0.05 0.95 0.17 1.63 -1.40 0.00 0.00 179.01 180.41 1uf9 n LYS 119 N -4.12 2.97 -3.15 2.33 4.76 -1.07 -4.98 118.16 114.90 1uf9 n LYS 119 Ca 0.00 -3.05 -0.14 0.00 -2.87 0.00 0.00 58.31 52.25 1uf9 n LYS 119 Cb 0.43 -2.04 0.07 0.00 -1.84 0.00 0.00 35.03 31.65 1uf9 n LYS 119 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1uf9 n GLY 120 N -0.56 -0.85 0.03 0.72 0.00 -1.22 -4.96 105.19 98.36 1uf9 n GLY 120 Ca 0.37 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.86 1uf9 n GLY 120 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1uf9 n TRP 121 N -3.26 0.00 -0.34 1.61 7.02 -1.07 -4.46 117.44 116.93 1uf9 n TRP 121 Ca -0.11 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.56 1uf9 n TRP 121 Cb 0.62 -0.57 0.40 0.00 -2.42 0.00 0.00 31.31 29.35 1uf9 n TRP 121 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1uf9 h GLU 122 N 0.00 0.53 0.00 -0.99 4.81 -1.91 0.63 114.58 117.65 1uf9 h GLU 122 Ca -0.12 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1uf9 h GLU 122 Cb 1.21 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1uf9 h GLU 122 CO 0.01 0.35 0.00 0.41 -0.73 0.00 0.00 179.01 179.05 1uf9 n GLY 123 N -1.32 -1.51 0.93 1.92 0.00 -1.26 -3.03 105.19 100.91 1uf9 n GLY 123 Ca 0.27 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1uf9 n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf9 n ARG 124 N -1.90 2.27 -4.39 1.61 1.74 0.22 -4.96 116.66 111.25 1uf9 n ARG 124 Ca 0.05 -1.86 -0.26 0.00 -0.77 0.00 0.00 57.85 55.02 1uf9 n ARG 124 Cb 0.35 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.21 1uf9 n ARG 124 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1uf9 s LEU 125 N -1.89 2.68 0.00 0.55 1.43 -0.95 -5.01 118.68 115.49 1uf9 s LEU 125 Ca 0.31 -0.81 0.29 0.00 -1.03 0.00 0.00 54.13 52.89 1uf9 s LEU 125 Cb 0.21 -1.33 1.16 0.00 0.03 0.00 0.00 46.19 46.25 1uf9 s LEU 125 CO 0.31 0.09 1.87 1.41 0.23 0.00 0.00 176.35 180.25 1uf9 n HIS 126 N -0.09 0.00 -3.65 0.29 8.25 -0.59 -4.93 115.22 114.49 1uf9 n HIS 126 Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.40 1uf9 n HIS 126 Cb 0.57 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1uf9 n HIS 126 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1uf9 s GLY 127 N -2.96 -0.44 -0.02 -1.41 0.00 -1.24 -5.02 107.32 96.22 1uf9 s GLY 127 Ca 0.15 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1uf9 s GLY 127 CO 0.55 1.45 0.01 -0.51 0.00 0.00 0.00 173.10 174.60 1uf9 s THR 128 N -2.04 0.04 -0.43 0.90 -4.23 -1.26 -2.25 115.64 106.37 1uf9 s THR 128 Ca 0.18 0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1uf9 s THR 128 Cb 0.06 -0.14 0.10 0.00 1.34 0.00 0.00 72.50 73.86 1uf9 s THR 128 CO -0.06 0.10 0.26 -0.22 -0.54 0.00 0.00 174.62 174.16 1uf9 s LEU 129 N 0.87 5.28 0.02 4.79 2.96 0.20 -1.35 118.68 131.45 1uf9 s LEU 129 Ca -0.08 -1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 51.87 1uf9 s LEU 129 Cb -0.11 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 1uf9 s LEU 129 CO -0.02 -0.57 0.72 -0.22 -1.32 0.00 0.00 176.35 174.93 1uf9 s LEU 130 N 1.34 4.43 -0.20 -0.68 0.20 -0.14 -1.78 118.68 121.85 1uf9 s LEU 130 Ca 0.04 1.35 -0.03 0.00 0.69 0.00 0.00 54.13 56.19 1uf9 s LEU 130 Cb -0.24 -3.14 -0.01 0.00 -0.43 0.00 0.00 46.19 42.38 1uf9 s LEU 130 CO -0.00 0.03 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.32 1uf9 s VAL 131 N -0.01 3.22 0.22 1.68 1.01 0.19 -0.89 120.40 125.82 1uf9 s VAL 131 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1uf9 s VAL 131 Cb -0.20 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1uf9 s VAL 131 CO 0.21 0.46 0.15 0.00 0.00 0.00 0.00 175.10 175.92 1uf9 s ALA 132 N 1.21 1.25 -0.02 5.51 0.00 -0.41 -4.26 121.76 125.04 1uf9 s ALA 132 Ca 0.02 -1.74 -0.28 0.00 0.00 0.00 0.00 51.96 49.95 1uf9 s ALA 132 Cb -0.14 1.40 0.10 0.00 0.00 0.00 0.00 23.12 24.48 1uf9 s ALA 132 CO -0.02 -0.60 0.85 0.00 0.00 0.00 0.00 175.76 175.99 1uf9 s ALA 133 N -4.06 -1.81 0.83 0.00 0.00 -1.26 -3.22 121.76 112.24 1uf9 s ALA 133 Ca 0.39 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.28 1uf9 s ALA 133 Cb 0.06 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1uf9 s ALA 133 CO 0.14 -0.60 0.40 -2.30 0.00 0.00 0.00 175.76 173.40 1uf9 n PRO 134 N 0.01 0.04 -0.06 0.00 -0.02 -1.26 -4.77 135.00 128.94 1uf9 n PRO 134 Ca -0.11 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.32 1uf9 n PRO 134 Cb 0.61 -1.79 -0.04 0.00 -0.02 0.00 0.00 33.50 32.26 1uf9 n PRO 134 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1uf9 h LEU 135 N -0.89 0.30 -0.59 2.45 5.85 -1.99 -2.29 115.31 118.16 1uf9 h LEU 135 Ca -0.44 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.15 1uf9 h LEU 135 Cb 1.32 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1uf9 h LEU 135 CO 0.38 0.40 0.31 -0.08 -0.34 0.00 0.00 178.44 179.11 1uf9 h GLU 136 N 0.18 0.57 -0.77 1.25 4.57 -2.00 0.58 114.58 118.97 1uf9 h GLU 136 Ca 0.07 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1uf9 h GLU 136 Cb 0.20 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1uf9 h GLU 136 CO -0.00 0.38 0.31 1.49 -1.18 0.00 0.00 179.01 180.00 1uf9 h GLU 137 N 0.59 1.15 -0.12 1.92 4.81 -1.91 -2.17 114.58 118.85 1uf9 h GLU 137 Ca 0.26 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1uf9 h GLU 137 Cb 0.16 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1uf9 h GLU 137 CO -0.17 0.93 -0.54 0.00 -0.73 0.00 0.00 179.01 178.50 1uf9 h ARG 138 N 1.12 0.35 -0.28 1.92 3.08 -0.76 -1.92 114.38 117.89 1uf9 h ARG 138 Ca 0.26 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1uf9 h ARG 138 Cb 0.21 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1uf9 h ARG 138 CO -0.02 0.80 0.04 0.28 -1.07 0.00 0.00 179.97 180.00 1uf9 h VAL 139 N 0.27 1.23 0.67 2.04 2.07 -0.52 -1.63 116.25 120.39 1uf9 h VAL 139 Ca 0.01 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1uf9 h VAL 139 Cb 1.04 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1uf9 h VAL 139 CO 0.09 0.26 -0.32 0.03 0.02 0.00 0.00 177.57 177.65 1uf9 h ARG 140 N 0.28 -0.87 -0.95 1.57 3.08 -1.35 -2.76 114.38 113.37 1uf9 h ARG 140 Ca 0.08 0.06 0.25 0.00 0.07 0.00 0.00 59.98 60.45 1uf9 h ARG 140 Cb 0.35 0.20 -0.18 0.00 0.08 0.00 0.00 29.97 30.42 1uf9 h ARG 140 CO 0.01 -0.58 0.02 -0.09 -1.07 0.00 0.00 179.97 178.25 1uf9 h ARG 141 N -0.91 0.03 -1.47 0.04 2.43 -1.30 0.43 114.38 113.63 1uf9 h ARG 141 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1uf9 h ARG 141 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1uf9 h ARG 141 CO 0.15 0.02 0.00 0.28 -1.51 0.00 0.00 179.97 178.91 1uf9 n VAL 142 N -5.47 1.20 0.00 0.20 0.31 -0.62 -2.28 118.33 111.67 1uf9 n VAL 142 Ca 0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1uf9 n VAL 142 Cb 0.71 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1uf9 n VAL 142 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uf9 n ALA 144 N 0.95 0.00 -1.65 3.52 0.00 0.15 -4.22 120.51 119.27 1uf9 n ALA 144 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1uf9 n ALA 144 Cb 0.43 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 1uf9 n ALA 144 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uf9 n ARG 145 N 0.00 1.56 -1.25 0.00 0.63 -0.96 -3.47 116.66 113.17 1uf9 n ARG 145 Ca 0.00 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1uf9 n ARG 145 Cb 0.00 -2.19 0.00 0.00 0.45 0.00 0.00 32.46 30.72 1uf9 n ARG 145 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1uf9 n SER 146 N 0.32 -2.06 -3.57 6.15 7.64 -1.26 -4.32 113.62 116.52 1uf9 n SER 146 Ca 0.09 0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.99 1uf9 n SER 146 Cb 0.40 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 63.08 1uf9 n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf9 n GLY 147 N 0.87 0.46 3.84 0.23 0.00 -1.23 -4.90 105.19 104.46 1uf9 n GLY 147 Ca 0.00 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1uf9 n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uf9 s LEU 148 N 0.00 3.76 0.49 0.99 1.43 -1.26 -5.03 118.68 119.06 1uf9 s LEU 148 Ca 0.19 1.55 -0.22 0.00 -1.03 0.00 0.00 54.13 54.62 1uf9 s LEU 148 Cb 0.04 -4.45 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 1uf9 s LEU 148 CO 0.10 -0.48 1.15 -0.55 0.23 0.00 0.00 176.35 176.80 1uf9 s SER 149 N -2.78 5.99 0.60 2.29 0.15 -1.26 -4.86 113.70 113.83 1uf9 s SER 149 Ca 0.59 2.25 0.31 0.00 0.70 0.00 0.00 55.95 59.80 1uf9 s SER 149 Cb -0.10 -2.59 1.83 0.00 -1.71 0.00 0.00 66.02 63.45 1uf9 s SER 149 CO 0.25 -1.04 2.19 -0.09 1.20 0.00 0.00 173.24 175.76 1uf9 h ARG 150 N 1.71 0.00 0.02 5.44 2.43 -1.96 -1.47 114.38 120.54 1uf9 h ARG 150 Ca -0.50 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.53 1uf9 h ARG 150 Cb 1.25 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1uf9 h ARG 150 CO 0.59 0.00 -0.56 0.93 -1.51 0.00 0.00 179.97 179.42 1uf9 h GLU 151 N 0.00 0.35 -0.52 0.20 5.08 -1.98 -2.69 114.58 115.01 1uf9 h GLU 151 Ca 0.03 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1uf9 h GLU 151 Cb 0.23 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1uf9 h GLU 151 CO -0.00 1.09 0.14 0.93 -1.00 0.00 0.00 179.01 180.17 1uf9 h GLU 152 N -0.22 0.78 -0.00 2.33 5.08 -1.69 -1.97 114.58 118.88 1uf9 h GLU 152 Ca -0.08 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1uf9 h GLU 152 Cb 1.30 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1uf9 h GLU 152 CO 0.11 0.69 -0.00 0.28 -1.00 0.00 0.00 179.01 179.09 1uf9 h VAL 153 N 0.76 1.38 0.00 3.13 2.07 -1.38 -2.37 116.25 119.83 1uf9 h VAL 153 Ca 0.17 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1uf9 h VAL 153 Cb 0.25 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1uf9 h VAL 153 CO -0.01 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.05 1uf9 n LEU 154 N -4.86 0.00 -0.08 2.57 4.77 -1.02 -1.77 117.00 116.62 1uf9 n LEU 154 Ca -0.08 0.45 -0.15 0.00 -0.03 0.00 0.00 56.01 56.20 1uf9 n LEU 154 Cb 0.24 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.76 1uf9 n LEU 154 CO 0.34 -0.37 0.19 0.00 -1.33 0.00 0.00 177.39 176.21 1uf9 h ALA 155 N 2.19 0.05 0.00 -1.18 0.00 -0.86 -3.07 119.26 116.39 1uf9 h ALA 155 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1uf9 h ALA 155 Cb 0.08 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1uf9 h ALA 155 CO 0.00 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.93 1uf9 n ARG 156 N -4.59 0.53 -0.03 0.00 1.74 -0.73 -2.92 116.66 110.67 1uf9 n ARG 156 Ca -0.14 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.91 1uf9 n ARG 156 Cb 0.49 -1.03 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 1uf9 n ARG 156 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1uf9 n GLU 157 N -0.41 0.13 0.15 5.56 0.00 -1.11 -4.53 120.64 120.43 1uf9 n GLU 157 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 57.16 57.32 1uf9 n GLU 157 Cb 0.02 -1.09 0.47 0.00 0.00 0.00 0.00 31.44 30.84 1uf9 n GLU 157 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1uf9 h ARG 158 N -0.01 0.00 0.00 5.31 0.11 -1.43 -2.32 114.38 116.05 1uf9 h ARG 158 Ca -0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1uf9 h ARG 158 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1uf9 h ARG 158 CO -0.02 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.05 1uf9 h ALA 159 N 2.29 1.00 -3.00 0.08 0.00 -1.76 -3.47 119.26 114.40 1uf9 h ALA 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uf9 h ALA 159 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1uf9 h ALA 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1uf9 n GLN 160 N -2.82 0.00 -3.98 0.00 6.02 -0.87 -5.13 117.38 110.60 1uf9 n GLN 160 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 1uf9 n GLN 160 Cb 0.42 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.64 1uf9 n GLN 160 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1uf9 s PRO 162 N 0.94 3.24 0.22 -1.09 0.02 -1.26 -4.97 135.00 132.10 1uf9 s PRO 162 Ca 0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 61.00 60.37 1uf9 s PRO 162 Cb 0.00 -2.89 0.19 0.00 0.02 0.00 0.00 34.50 31.82 1uf9 s PRO 162 CO 0.00 0.56 1.67 1.49 -0.33 0.00 0.00 177.00 180.39 1uf9 h GLU 163 N 2.81 0.88 -0.95 5.54 4.81 -1.98 -2.65 114.58 123.03 1uf9 h GLU 163 Ca -0.47 -0.29 0.14 0.00 -0.13 0.00 0.00 59.36 58.61 1uf9 h GLU 163 Cb 1.17 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.40 1uf9 h GLU 163 CO 0.70 0.93 0.60 0.93 -0.73 0.00 0.00 179.01 181.44 1uf9 h GLU 164 N 0.79 0.81 -0.10 1.92 3.07 -2.00 0.31 114.58 119.39 1uf9 h GLU 164 Ca 0.13 -0.05 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 1uf9 h GLU 164 Cb 0.60 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 28.33 1uf9 h GLU 164 CO 0.04 0.54 -0.56 0.93 -1.40 0.00 0.00 179.01 178.55 1uf9 h GLU 165 N 0.83 0.55 -0.04 2.33 4.39 -1.96 -2.28 114.58 118.40 1uf9 h GLU 165 Ca 0.48 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1uf9 h GLU 165 Cb 0.63 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1uf9 h GLU 165 CO -0.25 1.09 -0.03 0.87 -1.16 0.00 0.00 179.01 179.54 1uf9 h LYS 166 N 0.17 0.06 -0.13 2.33 1.57 -0.83 -1.91 116.57 117.83 1uf9 h LYS 166 Ca -0.04 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1uf9 h LYS 166 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1uf9 h LYS 166 CO 0.12 0.09 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.72 1uf9 h ARG 167 N 0.06 0.40 0.00 3.15 2.43 -0.32 -2.38 114.38 117.73 1uf9 h ARG 167 Ca 0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1uf9 h ARG 167 Cb 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1uf9 h ARG 167 CO 0.00 0.87 0.14 1.63 -1.51 0.00 0.00 179.97 181.11 1uf9 n LYS 168 N -4.43 0.07 0.00 0.20 5.02 -0.72 -3.12 118.16 115.17 1uf9 n LYS 168 Ca -0.07 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1uf9 n LYS 168 Cb 0.46 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1uf9 n LYS 168 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1uf9 n ARG 169 N -1.88 0.03 -2.74 1.97 1.85 -1.19 -5.09 116.66 109.62 1uf9 n ARG 169 Ca -0.01 -0.24 -0.37 0.00 -1.00 0.00 0.00 57.85 56.23 1uf9 n ARG 169 Cb 0.16 -0.52 -0.06 0.00 -1.05 0.00 0.00 32.46 30.99 1uf9 n ARG 169 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1uf9 s ALA 170 N -0.02 3.19 0.33 2.89 0.00 -0.90 -4.95 121.76 122.30 1uf9 s ALA 170 Ca 0.00 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1uf9 s ALA 170 Cb 0.00 -3.20 0.56 0.00 0.00 0.00 0.00 23.12 20.48 1uf9 s ALA 170 CO 0.00 0.10 1.99 1.15 0.00 0.00 0.00 175.76 179.01 1uf9 h THR 171 N 2.53 1.18 -3.84 0.00 2.02 -1.58 -3.44 112.91 109.78 1uf9 h THR 171 Ca -0.47 -0.33 -0.13 0.00 0.77 0.00 0.00 66.41 66.25 1uf9 h THR 171 Cb 1.20 0.13 -0.18 0.00 -1.74 0.00 0.00 68.15 67.56 1uf9 h THR 171 CO 0.64 0.17 -0.56 0.26 0.37 0.00 0.00 175.52 176.41 1uf9 s TRP 172 N -5.81 0.23 -0.02 3.16 0.51 -0.74 -4.97 118.94 111.29 1uf9 s TRP 172 Ca -0.11 -0.53 0.00 0.00 -2.12 0.00 0.00 56.10 53.34 1uf9 s TRP 172 Cb 0.18 -0.16 0.02 0.00 -0.81 0.00 0.00 33.47 32.70 1uf9 s TRP 172 CO 0.78 -0.34 0.00 0.08 -0.51 0.00 0.00 176.95 176.95 1uf9 s VAL 173 N -2.52 0.13 -0.14 4.03 1.01 -1.26 -0.97 120.40 120.69 1uf9 s VAL 173 Ca -0.06 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1uf9 s VAL 173 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1uf9 s VAL 173 CO -0.04 0.11 -0.08 -0.76 0.00 0.00 0.00 175.10 174.33 1uf9 s LEU 174 N 0.79 3.00 0.00 3.92 1.43 -0.07 -4.98 118.68 122.77 1uf9 s LEU 174 Ca -0.08 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1uf9 s LEU 174 Cb -0.11 -1.70 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1uf9 s LEU 174 CO -0.02 0.17 0.44 -0.62 0.23 0.00 0.00 176.35 176.55 1uf9 n GLU 175 N 3.53 0.16 -3.96 1.70 -0.58 -1.26 -1.29 120.64 118.94 1uf9 n GLU 175 Ca -0.18 -1.07 -0.10 0.00 -0.42 0.00 0.00 57.16 55.39 1uf9 n GLU 175 Cb 0.53 -0.33 -0.11 0.00 -0.57 0.00 0.00 31.44 30.96 1uf9 n GLU 175 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1uf9 s ASN 176 N -2.74 0.19 0.00 1.62 0.01 -1.20 -4.80 114.94 108.03 1uf9 s ASN 176 Ca 0.28 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 1uf9 s ASN 176 Cb -0.01 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.75 1uf9 s ASN 176 CO 0.19 -0.28 0.00 0.35 -1.51 0.00 0.00 177.10 175.85 1uf9 n THR 177 N 1.74 0.00 -4.83 1.60 -2.24 -1.26 -4.97 114.28 104.32 1uf9 n THR 177 Ca -0.23 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1uf9 n THR 177 Cb 0.56 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 1uf9 n THR 177 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uf9 s GLY 178 N 0.00 1.42 0.53 3.38 0.00 -1.26 -5.03 107.32 106.36 1uf9 s GLY 178 Ca 0.00 -1.30 0.32 0.00 0.00 0.00 0.00 44.72 43.74 1uf9 s GLY 178 CO 0.00 -1.20 1.86 0.23 0.00 0.00 0.00 173.10 174.00 1uf9 h SER 179 N 4.66 0.03 -0.28 1.64 0.87 -2.01 -0.75 113.55 117.71 1uf9 h SER 179 Ca -0.47 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 59.93 1uf9 h SER 179 Cb 1.15 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1uf9 h SER 179 CO 0.43 0.01 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.22 1uf9 h LEU 180 N 0.03 0.91 -0.40 2.23 4.07 -1.98 0.17 115.31 120.34 1uf9 h LEU 180 Ca 0.47 -0.44 -0.17 0.00 0.08 0.00 0.00 57.88 57.81 1uf9 h LEU 180 Cb 1.83 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 43.31 1uf9 h LEU 180 CO -0.02 1.22 -0.52 -0.33 -1.08 0.00 0.00 178.44 177.71 1uf9 h GLU 181 N 0.67 0.78 -0.05 1.13 3.07 -1.59 -1.77 114.58 116.82 1uf9 h GLU 181 Ca 0.04 -0.47 -0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1uf9 h GLU 181 Cb 1.03 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1uf9 h GLU 181 CO 0.10 1.10 0.02 0.22 -1.40 0.00 0.00 179.01 179.06 1uf9 h ASP 182 N 0.61 0.06 -0.65 1.42 -0.00 -1.23 0.97 116.42 117.59 1uf9 h ASP 182 Ca 0.02 -0.10 0.08 0.00 -0.00 0.00 0.00 57.03 57.03 1uf9 h ASP 182 Cb 1.10 -0.02 -0.07 0.00 -0.00 0.00 0.00 39.33 40.35 1uf9 h ASP 182 CO 0.11 0.15 0.31 0.25 -0.00 0.00 0.00 179.24 180.06 1uf9 h LEU 183 N -0.03 0.40 0.50 2.28 6.46 -0.59 -1.80 115.31 122.54 1uf9 h LEU 183 Ca 0.02 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1uf9 h LEU 183 Cb 0.10 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1uf9 h LEU 183 CO -0.00 0.24 -0.24 -0.33 -0.62 0.00 0.00 178.44 177.49 1uf9 h GLU 184 N 0.55 -0.65 -0.52 1.25 5.08 -0.71 -2.79 114.58 116.80 1uf9 h GLU 184 Ca 0.32 0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.80 1uf9 h GLU 184 Cb 0.32 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1uf9 h GLU 184 CO -0.25 -0.42 0.14 0.00 -1.00 0.00 0.00 179.01 177.47 1uf9 h ARG 185 N -0.69 0.28 -0.60 2.33 3.08 -0.37 -0.97 114.38 117.45 1uf9 h ARG 185 Ca -0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1uf9 h ARG 185 Cb 0.52 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1uf9 h ARG 185 CO 0.11 0.19 0.29 0.00 -1.07 0.00 0.00 179.97 179.49 1uf9 h ALA 186 N 1.38 1.40 -0.13 0.04 0.00 -1.37 0.77 119.26 121.34 1uf9 h ALA 186 Ca 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1uf9 h ALA 186 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1uf9 h ALA 186 CO -0.30 0.48 0.09 1.25 0.00 0.00 0.00 179.25 180.77 1uf9 h LEU 187 N 0.84 0.10 -0.01 0.00 6.46 -0.91 0.50 115.31 122.28 1uf9 h LEU 187 Ca 0.21 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 1uf9 h LEU 187 Cb 0.08 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1uf9 h LEU 187 CO -0.03 0.07 -0.21 0.11 -0.62 0.00 0.00 178.44 177.76 1uf9 h LYS 188 N 0.12 0.16 0.15 1.25 1.79 -0.13 0.74 116.57 120.66 1uf9 h LYS 188 Ca 0.05 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1uf9 h LYS 188 Cb 0.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1uf9 h LYS 188 CO -0.01 0.87 -0.07 0.00 -1.08 0.00 0.00 179.45 179.16 1uf9 h ALA 189 N 0.29 -0.20 -0.69 3.86 0.00 -0.88 -1.33 119.26 120.31 1uf9 h ALA 189 Ca -0.02 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1uf9 h ALA 189 Cb 0.94 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 1uf9 h ALA 189 CO 0.04 -0.56 -0.21 0.28 0.00 0.00 0.00 179.25 178.81 1uf9 h VAL 190 N -0.31 0.27 -0.20 0.00 2.07 -0.04 -0.18 116.25 117.86 1uf9 h VAL 190 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1uf9 h VAL 190 Cb 0.25 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1uf9 h VAL 190 CO 0.03 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.82 1uf9 h LEU 191 N -0.03 -0.20 -1.22 2.57 5.85 -0.27 0.69 115.31 122.70 1uf9 h LEU 191 Ca 0.32 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1uf9 h LEU 191 Cb 0.52 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1uf9 h LEU 191 CO -0.72 -0.07 0.26 0.00 -0.34 0.00 0.00 178.44 177.57 1uf9 h ALA 192 N 1.19 1.20 -1.13 1.25 0.00 0.09 0.36 119.26 122.22 1uf9 h ALA 192 Ca 0.10 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.38 1uf9 h ALA 192 Cb 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.57 1uf9 h ALA 192 CO -0.21 -0.20 -0.16 0.39 0.00 0.00 0.00 179.25 179.07 1uf9 n GLU 193 N -2.28 3.24 0.00 0.00 1.02 0.23 -5.05 120.64 117.80 1uf9 n GLU 193 Ca -0.01 -4.04 0.00 0.00 -0.02 0.00 0.00 57.16 53.09 1uf9 n GLU 193 Cb 0.29 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 1uf9 n GLU 193 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uf9 n LEU 194 N -0.62 0.00 -0.19 -4.62 4.32 0.13 -4.82 117.00 111.19 1uf9 n LEU 194 Ca 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.46 1uf9 n LEU 194 Cb 0.66 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.46 1uf9 n LEU 194 CO 0.45 0.00 0.15 1.07 -1.22 0.00 0.00 177.39 177.85 1uf9 n THR 195 N 0.00 0.00 0.00 -5.08 5.66 -1.26 -5.09 114.28 108.51 1uf9 n THR 195 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1uf9 n THR 195 Cb 0.00 0.30 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1uf9 n THR 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63