#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 3.20 0.39 5.58 3.76 -1.26 -5.02 115.29 121.95 1uf9 s HIS 7 Ca 0.00 0.63 -0.24 0.00 -0.15 0.00 0.00 55.06 55.30 1uf9 s HIS 7 Cb 0.00 -3.08 -0.09 0.00 1.11 0.00 0.00 32.58 30.52 1uf9 s HIS 7 CO 0.00 -0.52 1.06 -1.25 -0.85 0.00 0.00 174.74 173.18 1uf9 s PRO 8 N 2.73 4.18 -0.16 8.40 0.04 -1.26 -4.97 135.00 143.96 1uf9 s PRO 8 Ca 0.27 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 1uf9 s PRO 8 Cb -0.15 -2.60 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 1uf9 s PRO 8 CO 0.12 -0.13 0.99 -1.50 0.04 0.00 0.00 177.00 176.51 1uf9 s ILE 9 N -1.60 4.77 -0.19 0.56 2.07 -0.93 -4.88 121.20 120.99 1uf9 s ILE 9 Ca 0.57 1.97 -0.17 0.00 -1.41 0.00 0.00 60.65 61.60 1uf9 s ILE 9 Cb -0.23 -4.28 -0.04 0.00 0.13 0.00 0.00 42.46 38.04 1uf9 s ILE 9 CO 0.29 -0.05 0.45 -0.63 -1.91 0.00 0.00 174.94 173.09 1uf9 s ILE 10 N 2.44 5.16 -0.07 2.00 -1.09 -1.26 -1.80 121.20 126.58 1uf9 s ILE 10 Ca 0.45 0.83 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 1uf9 s ILE 10 Cb -0.17 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 36.92 1uf9 s ILE 10 CO 0.13 0.23 -0.23 -0.63 -1.23 0.00 0.00 174.94 173.21 1uf9 s ILE 11 N 1.34 2.19 -0.14 2.92 -1.09 -0.26 -0.38 121.20 125.77 1uf9 s ILE 11 Ca 0.22 -1.01 -0.15 0.00 -2.23 0.00 0.00 60.65 57.47 1uf9 s ILE 11 Cb -0.15 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 38.88 1uf9 s ILE 11 CO 0.09 0.57 0.36 -0.83 -1.23 0.00 0.00 174.94 173.90 1uf9 s GLY 12 N -0.11 2.28 -0.21 6.18 0.00 -0.34 -0.56 107.32 114.56 1uf9 s GLY 12 Ca -0.05 -0.35 -0.06 0.00 0.00 0.00 0.00 44.72 44.26 1uf9 s GLY 12 CO 0.04 0.55 0.03 -0.42 0.00 0.00 0.00 173.10 173.29 1uf9 s ILE 13 N 0.48 4.17 0.18 0.90 1.01 0.13 0.10 121.20 128.18 1uf9 s ILE 13 Ca 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 1uf9 s ILE 13 Cb -0.14 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1uf9 s ILE 13 CO 0.06 0.41 0.25 0.28 0.00 0.00 0.00 174.94 175.94 1uf9 s THR 14 N 1.02 0.05 -0.07 2.92 -1.32 -0.35 -2.07 115.64 115.82 1uf9 s THR 14 Ca 0.03 -1.57 -0.32 0.00 -1.21 0.00 0.00 61.69 58.61 1uf9 s THR 14 Cb -0.14 -2.03 0.13 0.00 -1.51 0.00 0.00 72.50 68.95 1uf9 s THR 14 CO 0.02 -0.24 1.32 -0.83 -2.21 0.00 0.00 174.62 172.68 1uf9 s GLY 15 N -3.02 -0.41 0.74 6.08 0.00 -1.26 -0.71 107.32 108.73 1uf9 s GLY 15 Ca 0.22 0.93 -0.03 0.00 0.00 0.00 0.00 44.72 45.85 1uf9 s GLY 15 CO 0.03 0.21 1.02 -1.31 0.00 0.00 0.00 173.10 173.05 1uf9 s ASN 16 N -2.85 4.28 -0.29 1.64 -0.87 -1.26 -4.73 114.94 110.87 1uf9 s ASN 16 Ca 0.14 -0.23 -0.37 0.00 -1.57 0.00 0.00 52.86 50.82 1uf9 s ASN 16 Cb 0.05 -0.15 -0.13 0.00 -0.02 0.00 0.00 41.25 41.00 1uf9 s ASN 16 CO -0.05 -1.91 1.99 -0.38 -2.57 0.00 0.00 177.10 174.18 1uf9 n ILE 17 N -2.91 0.29 -0.56 0.60 2.08 -1.26 -0.97 119.36 116.62 1uf9 n ILE 17 Ca 0.14 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.30 1uf9 n ILE 17 Cb 0.60 -1.50 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 1uf9 n ILE 17 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uf9 n GLY 18 N 5.43 0.76 0.22 7.39 0.00 -1.26 -4.69 105.19 113.04 1uf9 n GLY 18 Ca 0.34 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.39 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 0.10 0.00 1.61 4.64 -1.38 -3.40 113.55 115.12 1uf9 h SER 19 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1uf9 h SER 19 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1uf9 h SER 19 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1uf9 n GLY 20 N -0.79 0.70 0.37 -0.77 0.00 -1.26 -4.77 105.19 98.66 1uf9 n GLY 20 Ca -0.02 -0.48 0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 0.32 0.00 -0.21 1.61 2.10 -1.90 0.53 116.57 119.02 1uf9 h LYS 21 Ca 0.00 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.69 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 -0.03 0.77 -2.00 0.00 0.00 179.45 178.19 1uf9 h SER 22 N 0.00 -0.16 -0.91 7.07 0.02 -2.00 -1.35 113.55 116.22 1uf9 h SER 22 Ca 0.13 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1uf9 h SER 22 Cb 0.89 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.50 1uf9 h SER 22 CO -0.00 -0.05 0.55 0.74 -1.14 0.00 0.00 176.83 176.93 1uf9 h THR 23 N 0.02 1.25 -0.56 -2.27 2.02 -0.34 -2.15 112.91 110.88 1uf9 h THR 23 Ca 0.10 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1uf9 h THR 23 Cb 0.14 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1uf9 h THR 23 CO -0.20 0.27 0.37 0.58 0.37 0.00 0.00 175.52 176.90 1uf9 h VAL 24 N 1.26 1.15 -0.30 3.16 2.07 -1.03 -1.79 116.25 120.76 1uf9 h VAL 24 Ca 0.33 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1uf9 h VAL 24 Cb -0.05 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1uf9 h VAL 24 CO -0.06 0.14 -0.12 0.00 0.02 0.00 0.00 177.57 177.55 1uf9 h ALA 25 N 1.20 0.42 -0.96 1.67 0.00 -1.05 -2.04 119.26 118.50 1uf9 h ALA 25 Ca 0.20 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1uf9 h ALA 25 Cb -0.08 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 1uf9 h ALA 25 CO -0.04 0.29 0.58 0.00 0.00 0.00 0.00 179.25 180.08 1uf9 h ALA 26 N 0.77 1.45 -0.35 0.00 0.00 -1.25 0.18 119.26 120.06 1uf9 h ALA 26 Ca 0.07 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1uf9 h ALA 26 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1uf9 h ALA 26 CO 0.04 0.14 -0.10 -0.07 0.00 0.00 0.00 179.25 179.27 1uf9 h LEU 27 N 0.90 0.58 -0.55 0.00 3.38 -0.99 0.20 115.31 118.84 1uf9 h LEU 27 Ca 0.49 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1uf9 h LEU 27 Cb 0.53 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1uf9 h LEU 27 CO -0.29 0.72 -0.44 -0.07 0.09 0.00 0.00 178.44 178.46 1uf9 h LEU 28 N 0.56 0.00 0.21 1.67 3.38 -0.08 -1.22 115.31 119.83 1uf9 h LEU 28 Ca 0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 1uf9 h LEU 28 Cb 0.50 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.29 1uf9 h LEU 28 CO 0.03 0.44 -1.41 0.03 0.09 0.00 0.00 178.44 177.61 1uf9 h ARG 29 N 0.00 0.57 -0.39 1.13 3.08 -0.42 0.10 114.38 118.45 1uf9 h ARG 29 Ca -0.00 -0.90 -0.02 0.00 0.07 0.00 0.00 59.98 59.13 1uf9 h ARG 29 Cb 1.11 0.32 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 1uf9 h ARG 29 CO 0.06 1.42 0.18 0.77 -1.07 0.00 0.00 179.97 181.33 1uf9 h SER 30 N 0.19 0.49 -0.09 7.04 0.02 -0.49 0.23 113.55 120.93 1uf9 h SER 30 Ca -0.24 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1uf9 h SER 30 Cb 2.10 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1uf9 h SER 30 CO 0.27 0.43 0.00 0.79 -1.14 0.00 0.00 176.83 177.18 1uf9 n TRP 31 N -4.40 0.11 -2.14 3.45 8.01 -0.47 -4.94 117.44 117.06 1uf9 n TRP 31 Ca 0.03 -0.05 -0.01 0.00 -1.31 0.00 0.00 57.50 56.16 1uf9 n TRP 31 Cb 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.43 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 0.99 0.52 3.24 6.99 0.00 0.80 -5.04 105.19 112.69 1uf9 n GLY 32 Ca 0.16 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.01 1.83 0.31 1.61 1.51 0.32 -5.00 117.35 114.93 1uf9 s TYR 33 Ca 0.00 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.41 1uf9 s TYR 33 Cb -0.00 -1.12 -0.10 0.00 -0.11 0.00 0.00 41.96 40.63 1uf9 s TYR 33 CO 0.02 0.05 1.20 -2.14 -1.11 0.00 0.00 175.55 173.58 1uf9 s PRO 34 N -0.94 4.48 -0.36 -1.71 0.02 -1.26 -4.17 135.00 131.06 1uf9 s PRO 34 Ca 0.08 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.12 1uf9 s PRO 34 Cb -0.08 -3.11 0.15 0.00 0.02 0.00 0.00 34.50 31.47 1uf9 s PRO 34 CO 0.01 -0.00 0.28 0.08 -0.33 0.00 0.00 177.00 177.04 1uf9 s VAL 35 N -1.16 -0.07 0.22 3.83 1.01 -1.26 -2.21 120.40 120.77 1uf9 s VAL 35 Ca 0.47 -1.39 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1uf9 s VAL 35 Cb -0.36 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1uf9 s VAL 35 CO 0.47 -0.82 1.18 -0.76 0.00 0.00 0.00 175.10 175.17 1uf9 s LEU 36 N 1.23 4.48 -0.52 3.92 1.43 -0.63 -4.87 118.68 123.72 1uf9 s LEU 36 Ca 0.17 2.28 -0.16 0.00 -1.03 0.00 0.00 54.13 55.40 1uf9 s LEU 36 Cb -0.20 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.52 1uf9 s LEU 36 CO -0.01 -0.32 0.47 -0.62 0.23 0.00 0.00 176.35 176.10 1uf9 s ASP 37 N -0.19 6.17 0.61 2.29 2.15 -1.26 -1.49 116.67 124.95 1uf9 s ASP 37 Ca 0.50 -1.69 0.34 0.00 0.43 0.00 0.00 52.55 52.13 1uf9 s ASP 37 Cb -0.33 -2.20 1.99 0.00 -0.30 0.00 0.00 42.92 42.08 1uf9 s ASP 37 CO 0.39 -0.81 2.29 -0.07 -0.17 0.00 0.00 175.17 176.80 1uf9 h LEU 38 N 8.85 0.00 -0.25 -1.34 -0.00 -1.87 -1.33 115.31 119.36 1uf9 h LEU 38 Ca -0.29 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.56 1uf9 h LEU 38 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.75 1uf9 h LEU 38 CO 1.00 0.00 0.05 -0.78 -0.00 0.00 0.00 178.44 178.71 1uf9 h ASP 39 N 0.00 0.39 -0.85 -0.43 3.58 -1.92 0.10 116.42 117.30 1uf9 h ASP 39 Ca -0.00 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 1uf9 h ASP 39 Cb 0.00 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 1uf9 h ASP 39 CO 0.00 0.53 0.45 0.00 -2.88 0.00 0.00 179.24 177.33 1uf9 h ALA 40 N 0.87 1.09 -0.26 -0.78 0.00 -1.64 -2.18 119.26 116.37 1uf9 h ALA 40 Ca 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1uf9 h ALA 40 Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1uf9 h ALA 40 CO 0.00 0.61 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 1uf9 h LEU 41 N 1.19 0.36 -0.89 0.00 3.38 -1.14 -0.52 115.31 117.69 1uf9 h LEU 41 Ca 0.30 -0.18 0.22 0.00 0.09 0.00 0.00 57.88 58.31 1uf9 h LEU 41 Cb 0.06 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 40.59 1uf9 h LEU 41 CO -0.04 0.44 0.37 0.00 0.09 0.00 0.00 178.44 179.29 1uf9 h ALA 42 N 0.93 1.40 0.79 1.53 0.00 -0.34 0.70 119.26 124.27 1uf9 h ALA 42 Ca 0.08 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1uf9 h ALA 42 Cb 0.20 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uf9 h ALA 42 CO -0.01 -0.36 -0.38 0.00 0.00 0.00 0.00 179.25 178.51 1uf9 h ALA 43 N 1.71 -1.06 -0.96 0.00 0.00 -0.73 -0.28 119.26 117.95 1uf9 h ALA 43 Ca 0.55 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.39 1uf9 h ALA 43 Cb 1.05 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 1uf9 h ALA 43 CO -0.54 -0.99 0.61 0.00 0.00 0.00 0.00 179.25 178.32 1uf9 h ARG 44 N -1.26 0.75 0.10 0.00 3.08 0.23 0.18 114.38 117.45 1uf9 h ARG 44 Ca -0.11 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1uf9 h ARG 44 Cb 0.82 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1uf9 h ARG 44 CO 0.18 0.49 -0.05 0.00 -1.07 0.00 0.00 179.97 179.52 1uf9 h ALA 45 N 1.60 -0.13 -0.67 0.04 0.00 0.49 0.98 119.26 121.56 1uf9 h ALA 45 Ca 0.50 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.46 1uf9 h ALA 45 Cb 0.76 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 1uf9 h ALA 45 CO -0.27 -0.54 0.26 0.00 0.00 0.00 0.00 179.25 178.70 1uf9 h ARG 46 N -0.20 0.43 -0.66 0.00 3.08 0.82 0.19 114.38 118.03 1uf9 h ARG 46 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1uf9 h ARG 46 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1uf9 h ARG 46 CO 0.02 0.28 0.18 1.49 -1.07 0.00 0.00 179.97 180.87 1uf9 h GLU 47 N 0.44 1.04 -0.06 0.04 4.81 -0.71 -2.51 114.58 117.62 1uf9 h GLU 47 Ca 0.35 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1uf9 h GLU 47 Cb 0.46 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1uf9 h GLU 47 CO -0.34 0.91 0.01 -0.91 -0.73 0.00 0.00 179.01 177.94 1uf9 h ASN 48 N 0.99 0.09 -1.06 1.04 2.35 0.12 -3.07 115.58 116.05 1uf9 h ASN 48 Ca 0.21 -0.26 -0.64 0.00 -0.55 0.00 0.00 56.30 55.06 1uf9 h ASN 48 Cb 0.33 -0.02 -0.26 0.00 0.05 0.00 0.00 38.32 38.41 1uf9 h ASN 48 CO -0.00 0.33 0.83 0.29 -1.65 0.00 0.00 177.43 177.22 1uf9 n LYS 49 N -4.90 2.57 0.06 0.81 5.02 0.47 -4.61 118.16 117.57 1uf9 n LYS 49 Ca -0.07 -3.05 -0.13 0.00 -2.02 0.00 0.00 58.31 53.04 1uf9 n LYS 49 Cb 0.16 -2.19 -0.08 0.00 -0.02 0.00 0.00 35.03 32.90 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 2.08 -0.10 -0.37 1.97 4.81 -1.35 -2.53 114.58 119.09 1uf9 h GLU 50 Ca 0.55 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.87 1uf9 h GLU 50 Cb 0.72 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 1uf9 h GLU 50 CO 1.44 0.07 -0.19 1.05 -0.73 0.00 0.00 179.01 180.66 1uf9 h GLU 51 N -0.26 -0.12 -0.90 1.92 9.09 -1.86 0.64 114.58 123.09 1uf9 h GLU 51 Ca -0.01 0.01 0.11 0.00 0.05 0.00 0.00 59.36 59.51 1uf9 h GLU 51 Cb 0.22 0.03 -0.08 0.00 -1.65 0.00 0.00 28.75 27.27 1uf9 h GLU 51 CO 0.02 -0.08 0.53 1.49 0.05 0.00 0.00 179.01 181.02 1uf9 h GLU 52 N -0.12 0.84 -0.12 1.06 4.57 -1.90 -1.85 114.58 117.05 1uf9 h GLU 52 Ca 0.19 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 58.11 1uf9 h GLU 52 Cb 0.41 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 1uf9 h GLU 52 CO -0.45 0.55 -0.76 -0.07 -1.18 0.00 0.00 179.01 177.10 1uf9 h LEU 53 N 0.86 0.76 -0.83 1.64 3.38 -0.62 -2.28 115.31 118.21 1uf9 h LEU 53 Ca 0.44 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1uf9 h LEU 53 Cb 0.43 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uf9 h LEU 53 CO -0.26 1.27 0.00 0.29 0.09 0.00 0.00 178.44 179.83 1uf9 n LYS 54 N -3.90 0.11 -0.06 1.13 5.02 0.21 -0.80 118.16 119.87 1uf9 n LYS 54 Ca -0.06 0.52 -0.04 0.00 -2.02 0.00 0.00 58.31 56.71 1uf9 n LYS 54 Cb 0.73 -1.80 -0.12 0.00 -0.02 0.00 0.00 35.03 33.82 1uf9 n LYS 54 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1uf9 n ARG 55 N -2.03 1.26 0.18 1.97 1.74 -1.03 -3.70 116.66 115.05 1uf9 n ARG 55 Ca 0.00 -0.04 0.07 0.00 -0.77 0.00 0.00 57.85 57.11 1uf9 n ARG 55 Cb 0.09 -1.40 0.17 0.00 -1.02 0.00 0.00 32.46 30.30 1uf9 n ARG 55 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1uf9 h LEU 56 N 0.00 0.00 -5.97 0.55 4.07 -0.74 -3.37 115.31 109.86 1uf9 h LEU 56 Ca -0.33 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.12 1uf9 h LEU 56 Cb 1.71 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 43.05 1uf9 h LEU 56 CO 0.02 0.30 -1.14 0.49 -1.08 0.00 0.00 178.44 177.03 1uf9 n PHE 57 N -3.22 0.30 -0.32 1.13 3.01 0.02 -4.96 117.46 113.42 1uf9 n PHE 57 Ca 0.02 -3.77 0.15 0.00 1.01 0.00 0.00 57.45 54.87 1uf9 n PHE 57 Cb 0.61 -0.41 0.34 0.00 -0.01 0.00 0.00 39.48 40.01 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 3.27 0.41 0.00 -1.08 0.13 -1.73 0.13 132.00 133.14 1uf9 h PRO 58 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1uf9 h PRO 58 Cb 0.92 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1uf9 h PRO 58 CO 0.51 0.27 0.28 0.93 -0.23 0.00 0.00 178.00 179.76 1uf9 h GLU 59 N 0.42 0.00 -0.00 0.86 3.07 -1.92 0.14 114.58 117.15 1uf9 h GLU 59 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1uf9 h GLU 59 Cb 1.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 1uf9 h GLU 59 CO -0.53 0.00 -0.84 0.00 -1.40 0.00 0.00 179.01 176.23 1uf9 n ALA 60 N -1.71 4.39 -2.56 3.43 0.00 0.46 -4.88 120.51 119.64 1uf9 n ALA 60 Ca -0.01 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 1uf9 n ALA 60 Cb 0.31 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 1uf9 n ALA 60 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uf9 s VAL 61 N -2.78 4.66 -0.32 0.00 1.01 0.50 -0.29 120.40 123.18 1uf9 s VAL 61 Ca 0.10 0.67 -0.04 0.00 0.00 0.00 0.00 61.98 62.71 1uf9 s VAL 61 Cb 0.16 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1uf9 s VAL 61 CO 0.76 -0.61 0.05 -0.69 0.00 0.00 0.00 175.10 174.61 1uf9 s VAL 62 N 3.27 3.32 -1.15 2.92 1.01 0.23 -4.67 120.40 125.33 1uf9 s VAL 62 Ca 0.31 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1uf9 s VAL 62 Cb -0.12 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1uf9 s VAL 62 CO 0.21 -0.14 1.00 0.61 0.00 0.00 0.00 175.10 176.77 1uf9 n GLY 63 N 4.70 -0.33 2.49 4.51 0.00 -1.26 -2.12 105.19 113.18 1uf9 n GLY 63 Ca -0.13 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.65 2.48 3.54 -0.02 0.00 -1.26 -5.01 105.19 103.28 1uf9 n GLY 64 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.18 3.41 -0.45 1.61 3.00 -0.90 -5.06 118.95 120.38 1uf9 s ARG 65 Ca 0.00 -0.51 -0.29 0.00 -1.00 0.00 0.00 55.73 53.94 1uf9 s ARG 65 Cb 0.00 -2.84 0.02 0.00 0.00 0.00 0.00 34.95 32.13 1uf9 s ARG 65 CO 0.00 0.39 1.27 -1.17 0.00 0.00 0.00 175.30 175.79 1uf9 s LEU 66 N -0.04 3.61 -0.30 -0.88 2.96 -1.26 0.74 118.68 123.51 1uf9 s LEU 66 Ca 0.01 0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 54.27 1uf9 s LEU 66 Cb -0.13 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 1uf9 s LEU 66 CO 0.03 -1.34 1.34 -0.62 -1.32 0.00 0.00 176.35 174.44 1uf9 s ASP 67 N 3.16 6.62 0.53 3.68 2.15 0.60 -4.89 116.67 128.52 1uf9 s ASP 67 Ca 0.54 1.23 0.21 0.00 0.43 0.00 0.00 52.55 54.96 1uf9 s ASP 67 Cb -0.10 -2.54 1.36 0.00 -0.30 0.00 0.00 42.92 41.34 1uf9 s ASP 67 CO 0.32 -1.12 2.09 -0.09 -0.17 0.00 0.00 175.17 176.20 1uf9 h ARG 68 N 9.54 0.00 0.18 4.34 1.12 -1.93 -0.76 114.38 126.87 1uf9 h ARG 68 Ca -0.27 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.59 1uf9 h ARG 68 Cb 1.10 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 1uf9 h ARG 68 CO 1.03 0.00 -0.09 0.00 -3.11 0.00 0.00 179.97 177.81 1uf9 h ARG 69 N 0.00 -0.23 -0.66 0.20 3.08 -1.96 -3.01 114.38 111.80 1uf9 h ARG 69 Ca 0.10 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.30 1uf9 h ARG 69 Cb 0.41 0.05 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 1uf9 h ARG 69 CO -0.00 -0.16 -0.18 0.00 -1.07 0.00 0.00 179.97 178.56 1uf9 h ALA 70 N -1.80 0.40 -0.71 0.04 0.00 -1.86 -0.05 119.26 115.29 1uf9 h ALA 70 Ca -0.02 0.25 0.16 0.00 0.00 0.00 0.00 54.91 55.30 1uf9 h ALA 70 Cb 0.19 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1uf9 h ALA 70 CO 0.04 -0.44 0.05 1.25 0.00 0.00 0.00 179.25 180.15 1uf9 h LEU 71 N -0.01 -0.23 -0.36 0.00 5.85 -1.23 0.43 115.31 119.76 1uf9 h LEU 71 Ca 0.31 0.17 -0.19 0.00 0.84 0.00 0.00 57.88 59.01 1uf9 h LEU 71 Cb 0.49 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1uf9 h LEU 71 CO -0.69 -0.13 -0.77 0.00 -0.34 0.00 0.00 178.44 176.52 1uf9 h ALA 72 N 1.64 0.55 -0.03 1.25 0.00 -0.91 0.68 119.26 122.44 1uf9 h ALA 72 Ca 0.39 -0.63 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1uf9 h ALA 72 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1uf9 h ALA 72 CO -0.59 0.78 -0.54 0.00 0.00 0.00 0.00 179.25 178.91 1uf9 h ARG 73 N 0.26 0.09 0.16 0.00 2.47 -0.21 -1.21 114.38 115.94 1uf9 h ARG 73 Ca -0.04 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 1uf9 h ARG 73 Cb 1.36 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.68 1uf9 h ARG 73 CO 0.13 0.60 -0.08 1.25 0.56 0.00 0.00 179.97 182.44 1uf9 h LEU 74 N 0.07 -0.19 -0.86 3.04 5.85 -0.02 -3.24 115.31 119.96 1uf9 h LEU 74 Ca -0.00 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.95 1uf9 h LEU 74 Cb 0.97 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 41.91 1uf9 h LEU 74 CO 0.07 0.15 0.25 0.58 -0.34 0.00 0.00 178.44 179.16 1uf9 h VAL 75 N -0.79 0.36 -0.42 1.05 2.07 0.33 0.11 116.25 118.96 1uf9 h VAL 75 Ca -0.02 -0.08 -0.20 0.00 0.82 0.00 0.00 66.70 67.22 1uf9 h VAL 75 Cb 0.17 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.92 1uf9 h VAL 75 CO 0.04 0.04 0.25 0.49 0.02 0.00 0.00 177.57 178.41 1uf9 n PHE 76 N -5.19 1.30 -0.05 1.57 3.72 -0.46 -3.10 117.46 115.25 1uf9 n PHE 76 Ca 0.21 -0.98 -0.06 0.00 -0.05 0.00 0.00 57.45 56.57 1uf9 n PHE 76 Cb 0.65 -0.52 -0.07 0.00 -0.94 0.00 0.00 39.48 38.60 1uf9 n PHE 76 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1uf9 n SER 77 N -0.15 2.66 -3.74 4.37 3.41 0.37 -4.97 113.62 115.56 1uf9 n SER 77 Ca 0.24 -0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.67 1uf9 n SER 77 Cb 0.97 0.57 -0.17 0.00 -0.26 0.00 0.00 64.21 65.32 1uf9 n SER 77 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1uf9 s ASP 78 N -4.40 0.52 0.28 4.04 -4.77 -1.25 -5.06 116.67 106.03 1uf9 s ASP 78 Ca -0.07 0.04 0.01 0.00 -3.30 0.00 0.00 52.55 49.24 1uf9 s ASP 78 Cb 0.03 -0.12 0.64 0.00 -1.09 0.00 0.00 42.92 42.38 1uf9 s ASP 78 CO 0.38 -0.17 1.71 1.55 0.70 0.00 0.00 175.17 179.34 1uf9 h PRO 79 N 7.72 0.41 -0.46 2.11 0.13 -1.94 -2.32 132.00 137.66 1uf9 h PRO 79 Ca -0.33 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 64.87 1uf9 h PRO 79 Cb 1.12 -0.09 -0.09 0.00 0.13 0.00 0.00 31.00 32.07 1uf9 h PRO 79 CO 0.36 0.27 -0.15 1.49 -0.23 0.00 0.00 178.00 179.74 1uf9 h GLU 80 N 0.42 -0.04 0.02 0.86 4.57 -1.97 0.56 114.58 119.00 1uf9 h GLU 80 Ca 0.51 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.70 1uf9 h GLU 80 Cb 0.92 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1uf9 h GLU 80 CO -0.49 -0.02 -0.01 0.00 -1.18 0.00 0.00 179.01 177.31 1uf9 h ARG 81 N -0.04 -0.02 -0.74 1.92 3.08 -1.71 -1.60 114.38 115.27 1uf9 h ARG 81 Ca 0.22 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.43 1uf9 h ARG 81 Cb 0.38 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.33 1uf9 h ARG 81 CO -0.50 0.22 0.19 1.25 -1.07 0.00 0.00 179.97 180.06 1uf9 h LEU 82 N -0.26 0.04 -1.58 3.04 6.46 -1.26 0.46 115.31 122.22 1uf9 h LEU 82 Ca -0.00 0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1uf9 h LEU 82 Cb 0.25 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1uf9 h LEU 82 CO 0.00 -0.03 -0.23 0.50 -0.62 0.00 0.00 178.44 178.07 1uf9 h LYS 83 N 0.28 0.00 0.00 1.25 3.64 -0.65 -1.54 116.57 119.55 1uf9 h LYS 83 Ca 0.42 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.65 1uf9 h LYS 83 Cb 0.70 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1uf9 h LYS 83 CO -0.50 0.23 -0.68 0.00 -2.27 0.00 0.00 179.45 176.23 1uf9 h ALA 84 N 1.77 0.63 0.20 5.00 0.00 0.84 -2.81 119.26 124.88 1uf9 h ALA 84 Ca -0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 54.91 53.97 1uf9 h ALA 84 Cb 0.45 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1uf9 h ALA 84 CO 0.03 0.85 -1.51 1.25 0.00 0.00 0.00 179.25 179.87 1uf9 h LEU 85 N 0.00 0.65 -1.38 0.00 5.85 -0.67 -3.23 115.31 116.53 1uf9 h LEU 85 Ca -0.01 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 1uf9 h LEU 85 Cb 1.43 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1uf9 h LEU 85 CO 0.09 1.62 0.00 -0.33 -0.34 0.00 0.00 178.44 179.48 1uf9 h GLU 86 N 0.11 0.00 0.00 1.25 5.08 -1.32 -1.99 114.58 117.71 1uf9 h GLU 86 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1uf9 h GLU 86 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1uf9 h GLU 86 CO 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 1uf9 h ALA 87 N 2.08 1.00 0.00 3.43 0.00 -1.51 -2.41 119.26 121.85 1uf9 h ALA 87 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1uf9 h ALA 87 Cb 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1uf9 h ALA 87 CO 0.00 0.00 -1.88 0.28 0.00 0.00 0.00 179.25 177.65 1uf9 n VAL 88 N -2.35 0.89 -0.03 0.00 0.31 -0.88 -4.62 118.33 111.65 1uf9 n VAL 88 Ca 0.04 -0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 63.87 1uf9 n VAL 88 Cb 0.36 -1.03 -0.10 0.00 -0.91 0.00 0.00 33.84 32.15 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 0.00 1.46 -0.84 2.52 2.07 -1.45 -3.13 116.25 116.88 1uf9 h VAL 89 Ca -0.35 -1.72 0.07 0.00 0.82 0.00 0.00 66.70 65.52 1uf9 h VAL 89 Cb 1.55 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 33.70 1uf9 h VAL 89 CO -0.05 0.48 0.55 0.45 0.02 0.00 0.00 177.57 179.02 1uf9 h HIS 90 N -0.30 0.93 -0.19 1.57 3.86 -1.68 1.46 115.15 120.80 1uf9 h HIS 90 Ca -0.02 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 1uf9 h HIS 90 Cb 0.91 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1uf9 h HIS 90 CO 0.14 0.48 -0.07 -1.35 0.86 0.00 0.00 177.93 177.99 1uf9 h PRO 91 N 0.91 0.38 -0.52 2.45 0.11 -1.79 -1.87 132.00 131.68 1uf9 h PRO 91 Ca 0.36 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 1uf9 h PRO 91 Cb 0.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1uf9 h PRO 91 CO -0.13 0.67 -0.10 1.49 -0.21 0.00 0.00 178.00 179.71 1uf9 h GLU 92 N 0.08 0.96 -0.73 1.05 4.57 -1.36 -0.72 114.58 118.44 1uf9 h GLU 92 Ca 0.04 -0.34 0.08 0.00 -1.18 0.00 0.00 59.36 57.96 1uf9 h GLU 92 Cb 0.54 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.00 1uf9 h GLU 92 CO 0.02 1.01 0.39 0.28 -1.18 0.00 0.00 179.01 179.53 1uf9 h VAL 93 N 0.86 0.91 0.01 0.32 2.07 0.22 -1.65 116.25 118.99 1uf9 h VAL 93 Ca 0.14 -0.24 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 1uf9 h VAL 93 Cb 0.64 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1uf9 h VAL 93 CO 0.04 0.13 -0.93 0.03 0.02 0.00 0.00 177.57 176.86 1uf9 h ARG 94 N 0.69 0.28 -0.53 1.57 3.08 -1.06 -1.19 114.38 117.22 1uf9 h ARG 94 Ca 0.34 -0.32 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1uf9 h ARG 94 Cb 0.29 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.38 1uf9 h ARG 94 CO -0.23 1.03 0.23 -0.09 -1.07 0.00 0.00 179.97 179.84 1uf9 h ARG 95 N 0.15 0.42 -0.10 0.04 1.12 -0.59 -1.82 114.38 113.60 1uf9 h ARG 95 Ca -0.06 -0.03 -0.16 0.00 -1.11 0.00 0.00 59.98 58.62 1uf9 h ARG 95 Cb 1.58 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.43 1uf9 h ARG 95 CO 0.15 0.28 -0.64 -0.07 -3.11 0.00 0.00 179.97 176.58 1uf9 h LEU 96 N 0.44 0.44 -1.74 3.80 3.38 -1.29 -2.67 115.31 117.67 1uf9 h LEU 96 Ca 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uf9 h LEU 96 Cb 0.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uf9 h LEU 96 CO -0.21 0.97 0.00 -0.11 0.09 0.00 0.00 178.44 179.17 1uf9 n LEU 97 N -3.88 0.56 0.00 1.67 7.94 -0.45 -1.05 117.00 121.78 1uf9 n LEU 97 Ca -0.03 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1uf9 n LEU 97 Cb 0.65 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1uf9 n LEU 97 CO 0.47 0.10 0.00 1.21 -1.11 0.00 0.00 177.39 178.05 1uf9 n GLU 99 N 0.76 0.00 -0.11 1.96 2.13 -1.01 -2.05 120.64 122.33 1uf9 n GLU 99 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1uf9 n GLU 99 Cb 0.10 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.82 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 0.00 0.00 5.31 4.39 -1.39 0.78 114.58 123.67 1uf9 h GLU 100 Ca 0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1uf9 h GLU 100 Cb 0.00 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1uf9 h GLU 100 CO 0.00 0.00 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.74 1uf9 h LEU 101 N 0.00 0.00 -1.89 1.33 3.38 -1.67 -1.54 115.31 114.92 1uf9 h LEU 101 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1uf9 h LEU 101 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1uf9 h LEU 101 CO -0.38 0.05 -0.11 -1.28 0.09 0.00 0.00 178.44 176.81 1uf9 h SER 102 N 0.00 0.00 -0.53 -0.43 0.87 -1.12 -2.14 113.55 110.19 1uf9 h SER 102 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1uf9 h SER 102 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1uf9 h SER 102 CO 0.01 0.11 0.00 0.54 -0.53 0.00 0.00 176.83 176.95 1uf9 n ARG 103 N -4.17 2.78 -4.23 2.24 1.74 -0.58 -4.94 116.66 109.50 1uf9 n ARG 103 Ca -0.03 -2.15 -0.26 0.00 -0.77 0.00 0.00 57.85 54.65 1uf9 n ARG 103 Cb 0.19 -1.62 -0.08 0.00 -1.02 0.00 0.00 32.46 29.93 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 -1.31 3.25 0.00 0.55 1.43 -0.81 -5.01 118.68 116.79 1uf9 s LEU 104 Ca 0.39 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1uf9 s LEU 104 Cb 0.23 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1uf9 s LEU 104 CO 0.22 0.07 0.57 -0.62 0.23 0.00 0.00 176.35 176.83 1uf9 n GLU 105 N -0.24 0.57 -2.51 1.70 1.02 -1.26 -5.04 120.64 114.88 1uf9 n GLU 105 Ca -0.09 -0.67 -0.33 0.00 -0.02 0.00 0.00 57.16 56.05 1uf9 n GLU 105 Cb 0.56 -0.60 -0.04 0.00 -0.02 0.00 0.00 31.44 31.34 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 -0.19 3.00 -2.22 0.62 0.00 -1.26 -4.94 121.76 116.76 1uf9 s ALA 106 Ca 0.00 0.32 0.23 0.00 0.00 0.00 0.00 51.96 52.51 1uf9 s ALA 106 Cb 0.00 -3.16 1.01 0.00 0.00 0.00 0.00 23.12 20.97 1uf9 s ALA 106 CO 0.00 -0.19 1.69 -0.35 0.00 0.00 0.00 175.76 176.91 1uf9 n PRO 107 N -1.26 1.47 -3.68 0.00 -0.04 -1.26 -4.59 135.00 125.64 1uf9 n PRO 107 Ca 0.07 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.74 1uf9 n PRO 107 Cb 0.54 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 1uf9 n PRO 107 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1uf9 s LEU 108 N -1.69 -0.33 0.07 1.53 0.20 -1.26 -2.19 118.68 115.01 1uf9 s LEU 108 Ca 0.34 0.89 0.07 0.00 0.69 0.00 0.00 54.13 56.11 1uf9 s LEU 108 Cb 0.17 1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 47.16 1uf9 s LEU 108 CO 0.27 -0.21 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.26 1uf9 s VAL 109 N 2.02 1.41 0.15 1.68 1.01 -0.75 -4.44 120.40 121.49 1uf9 s VAL 109 Ca -0.05 -1.32 0.09 0.00 0.00 0.00 0.00 61.98 60.70 1uf9 s VAL 109 Cb -0.10 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1uf9 s VAL 109 CO -0.12 -0.06 -0.13 -0.36 0.00 0.00 0.00 175.10 174.43 1uf9 s PHE 110 N -1.08 2.60 -0.06 5.22 0.40 -0.94 -1.10 117.98 123.01 1uf9 s PHE 110 Ca 0.03 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1uf9 s PHE 110 Cb -0.09 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1uf9 s PHE 110 CO 0.03 0.46 0.01 -0.51 0.70 0.00 0.00 175.22 175.90 1uf9 s LEU 111 N -2.48 0.58 -0.88 -0.37 1.43 0.28 -1.60 118.68 115.64 1uf9 s LEU 111 Ca 0.22 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 53.02 1uf9 s LEU 111 Cb -0.10 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 45.79 1uf9 s LEU 111 CO 0.13 -0.19 1.32 -1.61 0.23 0.00 0.00 176.35 176.22 1uf9 s GLU 112 N 1.91 3.40 -0.68 1.70 2.02 -0.55 0.22 118.70 126.72 1uf9 s GLU 112 Ca 0.04 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.19 1uf9 s GLU 112 Cb -0.12 -4.79 0.17 0.00 0.10 0.00 0.00 34.13 29.49 1uf9 s GLU 112 CO -0.05 -2.11 0.50 0.42 0.02 0.00 0.00 175.26 174.04 1uf9 s ILE 113 N 4.97 3.62 0.57 -1.63 1.01 -0.88 -2.59 121.20 126.27 1uf9 s ILE 113 Ca 0.39 -3.36 -0.19 0.00 0.00 0.00 0.00 60.65 57.48 1uf9 s ILE 113 Cb -0.05 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.03 1uf9 s ILE 113 CO 0.01 -0.93 1.18 -2.16 0.00 0.00 0.00 174.94 173.04 1uf9 s PRO 114 N -0.54 3.15 -1.09 2.79 0.04 -1.26 -1.51 135.00 136.58 1uf9 s PRO 114 Ca 0.20 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 1uf9 s PRO 114 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1uf9 s PRO 114 CO -0.06 -1.05 0.27 1.28 0.04 0.00 0.00 177.00 177.48 1uf9 n LEU 115 N -1.42 -2.08 0.30 -3.56 4.77 -1.26 -4.94 117.00 108.82 1uf9 n LEU 115 Ca 0.13 -0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.81 1uf9 n LEU 115 Cb 0.50 -2.14 -0.08 0.00 -2.33 0.00 0.00 43.42 39.36 1uf9 n LEU 115 CO 0.44 0.05 0.63 0.25 -1.33 0.00 0.00 177.39 177.43 1uf9 h LEU 116 N -0.61 -0.63 -0.07 2.23 6.46 -1.64 -2.36 115.31 118.69 1uf9 h LEU 116 Ca -0.35 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.34 1uf9 h LEU 116 Cb 1.24 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.34 1uf9 h LEU 116 CO 0.38 -0.38 -0.18 -0.26 -0.62 0.00 0.00 178.44 177.38 1uf9 h PHE 117 N -0.83 0.32 -0.43 1.25 -1.00 -1.92 0.03 116.94 114.35 1uf9 h PHE 117 Ca -0.08 -0.12 0.12 0.00 2.81 0.00 0.00 57.97 60.70 1uf9 h PHE 117 Cb 0.60 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 40.09 1uf9 h PHE 117 CO -0.02 0.79 0.31 1.05 -1.61 0.00 0.00 178.31 178.83 1uf9 h GLU 118 N -0.24 0.03 -0.58 1.51 9.09 -1.97 -0.71 114.58 121.71 1uf9 h GLU 118 Ca -0.00 -0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.19 1uf9 h GLU 118 Cb 0.79 -0.01 -0.13 0.00 -1.65 0.00 0.00 28.75 27.75 1uf9 h GLU 118 CO 0.04 0.02 0.18 1.63 0.05 0.00 0.00 179.01 180.93 1uf9 n LYS 119 N -4.42 2.79 -3.54 1.06 4.76 -0.89 -4.99 118.16 112.94 1uf9 n LYS 119 Ca 0.07 -3.06 -0.24 0.00 -2.87 0.00 0.00 58.31 52.22 1uf9 n LYS 119 Cb 0.49 -2.03 0.05 0.00 -1.84 0.00 0.00 35.03 31.71 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 -0.67 -0.88 0.04 0.72 0.00 -0.27 -4.93 105.19 99.20 1uf9 n GLY 120 Ca 0.38 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.85 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 -3.89 0.00 -0.38 1.61 7.02 -0.01 -4.63 117.44 117.15 1uf9 n TRP 121 Ca -0.13 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.27 1uf9 n TRP 121 Cb 0.62 -0.68 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 1uf9 n TRP 121 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1uf9 n GLU 122 N -2.44 -0.36 0.00 -0.99 2.13 -1.26 0.12 120.64 117.85 1uf9 n GLU 122 Ca -0.15 1.42 0.02 0.00 0.66 0.00 0.00 57.16 59.11 1uf9 n GLU 122 Cb 0.79 -2.09 0.13 0.00 0.27 0.00 0.00 31.44 30.54 1uf9 n GLU 122 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uf9 n GLY 123 N -1.29 -0.42 0.32 8.31 0.00 -1.26 -2.12 105.19 108.73 1uf9 n GLY 123 Ca 0.04 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.66 1.27 -4.58 1.61 1.74 0.33 -5.03 116.66 111.34 1uf9 n ARG 124 Ca 0.03 -0.87 -0.27 0.00 -0.77 0.00 0.00 57.85 55.98 1uf9 n ARG 124 Cb 0.02 -1.14 -0.11 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 -1.25 2.79 0.00 0.55 1.43 -0.90 -5.03 118.68 116.27 1uf9 s LEU 125 Ca 0.10 -1.30 0.26 0.00 -1.03 0.00 0.00 54.13 52.17 1uf9 s LEU 125 Cb 0.08 -0.91 0.73 0.00 0.03 0.00 0.00 46.19 46.12 1uf9 s LEU 125 CO 0.19 -0.36 1.56 1.41 0.23 0.00 0.00 176.35 179.38 1uf9 n HIS 126 N -0.88 0.00 0.00 0.29 8.25 0.48 -4.96 115.22 118.39 1uf9 n HIS 126 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1uf9 n HIS 126 Cb 0.66 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 1uf9 n HIS 126 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1uf9 n GLY 127 N 1.24 2.04 2.95 -1.41 0.00 -1.22 -4.97 105.19 103.82 1uf9 n GLY 127 Ca 0.17 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1uf9 n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uf9 s THR 128 N -2.00 0.81 -0.40 2.61 -4.23 -1.26 -1.20 115.64 109.97 1uf9 s THR 128 Ca 0.00 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.09 1uf9 s THR 128 Cb 0.00 -0.78 0.01 0.00 1.34 0.00 0.00 72.50 73.07 1uf9 s THR 128 CO 0.00 0.29 0.30 -0.22 -0.54 0.00 0.00 174.62 174.45 1uf9 s LEU 129 N 0.86 4.98 -0.25 4.79 2.96 0.28 -2.04 118.68 130.26 1uf9 s LEU 129 Ca -0.12 -0.79 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 1uf9 s LEU 129 Cb -0.15 -2.18 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 1uf9 s LEU 129 CO 0.01 -0.42 0.25 -0.22 -1.32 0.00 0.00 176.35 174.65 1uf9 s LEU 130 N 1.73 4.07 -0.34 -0.68 0.20 0.24 -1.21 118.68 122.68 1uf9 s LEU 130 Ca 0.06 0.16 -0.13 0.00 0.69 0.00 0.00 54.13 54.91 1uf9 s LEU 130 Cb -0.19 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.33 1uf9 s LEU 130 CO 0.10 -0.05 0.24 -0.69 -0.29 0.00 0.00 176.35 175.67 1uf9 s VAL 131 N 1.54 5.29 0.31 1.68 1.01 0.11 -0.18 120.40 130.16 1uf9 s VAL 131 Ca 0.10 -0.23 0.11 0.00 0.00 0.00 0.00 61.98 61.96 1uf9 s VAL 131 Cb -0.15 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.45 1uf9 s VAL 131 CO 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 175.10 175.02 1uf9 s ALA 132 N 1.72 2.87 0.13 5.51 0.00 0.82 -4.28 121.76 128.52 1uf9 s ALA 132 Ca 0.06 -1.97 -0.24 0.00 0.00 0.00 0.00 51.96 49.81 1uf9 s ALA 132 Cb -0.17 -0.18 0.08 0.00 0.00 0.00 0.00 23.12 22.84 1uf9 s ALA 132 CO 0.11 0.18 0.65 0.00 0.00 0.00 0.00 175.76 176.70 1uf9 s ALA 133 N -2.55 -1.64 0.65 0.00 0.00 -1.26 -3.83 121.76 113.13 1uf9 s ALA 133 Ca 0.31 0.60 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1uf9 s ALA 133 Cb -0.02 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1uf9 s ALA 133 CO 0.16 -0.75 0.93 -2.30 0.00 0.00 0.00 175.76 173.80 1uf9 n PRO 134 N -0.33 0.70 -0.17 0.00 -0.02 -1.26 -4.81 135.00 129.12 1uf9 n PRO 134 Ca -0.16 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.51 1uf9 n PRO 134 Cb 0.64 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.15 0.82 -0.13 2.45 5.85 -1.99 -1.87 115.31 120.59 1uf9 h LEU 135 Ca -0.48 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 57.99 1uf9 h LEU 135 Cb 1.36 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1uf9 h LEU 135 CO 0.49 0.90 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.30 1uf9 h GLU 136 N 0.71 -0.12 -0.51 1.25 4.57 -1.99 0.24 114.58 118.73 1uf9 h GLU 136 Ca 0.14 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1uf9 h GLU 136 Cb 0.46 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.05 1uf9 h GLU 136 CO 0.02 -0.08 0.15 0.93 -1.18 0.00 0.00 179.01 178.85 1uf9 h GLU 137 N -0.12 0.76 -0.07 1.92 5.08 -1.91 -1.65 114.58 118.59 1uf9 h GLU 137 Ca 0.08 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1uf9 h GLU 137 Cb 0.24 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1uf9 h GLU 137 CO -0.20 0.66 0.01 0.00 -1.00 0.00 0.00 179.01 178.48 1uf9 h ARG 138 N 0.74 0.12 -0.10 2.33 3.08 -0.52 -1.01 114.38 119.02 1uf9 h ARG 138 Ca 0.17 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1uf9 h ARG 138 Cb 0.23 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 1uf9 h ARG 138 CO -0.01 0.36 -0.11 0.28 -1.07 0.00 0.00 179.97 179.43 1uf9 h VAL 139 N -0.14 0.70 -0.20 2.04 2.07 -0.28 -1.10 116.25 119.34 1uf9 h VAL 139 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1uf9 h VAL 139 Cb 0.30 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1uf9 h VAL 139 CO 0.00 0.00 0.01 0.03 0.02 0.00 0.00 177.57 177.64 1uf9 h ARG 140 N -0.14 0.08 -0.91 1.57 3.08 -1.29 -1.78 114.38 115.00 1uf9 h ARG 140 Ca 0.07 -0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.31 1uf9 h ARG 140 Cb 0.24 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.20 1uf9 h ARG 140 CO -0.18 0.05 0.59 -0.09 -1.07 0.00 0.00 179.97 179.28 1uf9 h ARG 141 N 0.08 0.49 -1.95 0.04 2.43 -0.77 -2.05 114.38 112.66 1uf9 h ARG 141 Ca 0.09 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1uf9 h ARG 141 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1uf9 h ARG 141 CO -0.15 0.33 -0.02 0.28 -1.51 0.00 0.00 179.97 178.90 1uf9 n VAL 142 N -4.55 2.30 -0.14 0.20 0.31 -0.45 -4.08 118.33 111.91 1uf9 n VAL 142 Ca 0.19 -0.87 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1uf9 n VAL 142 Cb 0.64 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 1.56 0.00 0.00 3.52 0.00 -0.77 -2.25 120.51 122.57 1uf9 n ALA 144 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1uf9 n ALA 144 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.14 0.00 0.00 0.00 0.63 -1.26 -4.87 116.66 111.02 1uf9 n ARG 145 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1uf9 n ARG 145 Cb 0.00 -0.49 0.00 0.00 0.45 0.00 0.00 32.46 32.42 1uf9 n ARG 145 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1uf9 n SER 146 N -2.75 2.69 -3.94 6.15 3.41 -0.95 -5.01 113.62 113.21 1uf9 n SER 146 Ca 0.00 -0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.16 1uf9 n SER 146 Cb 0.38 0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 65.14 1uf9 n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uf9 n GLY 147 N 1.62 -0.52 3.23 5.00 0.00 -1.24 -4.83 105.19 108.45 1uf9 n GLY 147 Ca 0.00 0.27 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 1uf9 n GLY 147 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1uf9 n LEU 148 N -4.47 5.82 0.00 0.99 7.94 -1.26 -4.83 117.00 121.19 1uf9 n LEU 148 Ca -0.22 -5.00 0.00 0.00 -1.11 0.00 0.00 56.01 49.68 1uf9 n LEU 148 Cb 0.64 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1uf9 n LEU 148 CO 0.74 1.37 0.00 -1.20 -1.11 0.00 0.00 177.39 177.19 1uf9 n SER 149 N 2.72 0.00 0.00 1.96 7.64 -1.26 -3.46 113.62 121.22 1uf9 n SER 149 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1uf9 n SER 149 Cb 0.38 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1uf9 n SER 149 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1uf9 n ARG 150 N -0.92 0.00 0.04 1.43 0.63 -1.26 -4.39 116.66 112.18 1uf9 n ARG 150 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1uf9 n ARG 150 Cb 0.00 -0.02 0.19 0.00 0.45 0.00 0.00 32.46 33.08 1uf9 n ARG 150 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1uf9 h GLU 151 N 0.00 0.42 -0.17 -0.14 4.81 -2.00 0.22 114.58 117.72 1uf9 h GLU 151 Ca 0.00 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1uf9 h GLU 151 Cb 0.00 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1uf9 h GLU 151 CO 0.00 0.70 -0.04 0.93 -0.73 0.00 0.00 179.01 179.87 1uf9 h GLU 152 N 0.36 0.34 0.10 1.92 4.39 -1.76 -3.02 114.58 116.90 1uf9 h GLU 152 Ca 0.04 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1uf9 h GLU 152 Cb 0.76 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1uf9 h GLU 152 CO 0.06 0.61 -0.22 0.28 -1.16 0.00 0.00 179.01 178.57 1uf9 h VAL 153 N 0.04 0.50 -0.79 3.13 2.07 -1.45 -0.92 116.25 118.82 1uf9 h VAL 153 Ca 0.04 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.79 1uf9 h VAL 153 Cb 0.48 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1uf9 h VAL 153 CO 0.02 0.00 0.76 -0.07 0.02 0.00 0.00 177.57 178.29 1uf9 h LEU 154 N -0.41 0.00 0.00 2.57 3.38 -0.55 0.87 115.31 121.17 1uf9 h LEU 154 Ca 0.03 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1uf9 h LEU 154 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1uf9 h LEU 154 CO -0.14 0.00 -0.97 0.00 0.09 0.00 0.00 178.44 177.42 1uf9 h ALA 155 N 1.23 0.63 0.15 1.53 0.00 -1.05 -3.00 119.26 118.75 1uf9 h ALA 155 Ca 0.38 -0.71 -0.31 0.00 0.00 0.00 0.00 54.91 54.27 1uf9 h ALA 155 Cb 1.88 0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.78 1uf9 h ALA 155 CO -0.00 0.87 -1.30 0.00 0.00 0.00 0.00 179.25 178.81 1uf9 h ARG 156 N 0.00 0.58 -0.91 0.00 2.47 0.11 -3.21 114.38 113.42 1uf9 h ARG 156 Ca -0.08 -0.83 0.08 0.00 -1.26 0.00 0.00 59.98 57.89 1uf9 h ARG 156 Cb 1.54 0.28 -0.07 0.00 -1.65 0.00 0.00 29.97 30.08 1uf9 h ARG 156 CO 0.07 1.38 0.56 1.49 0.56 0.00 0.00 179.97 184.03 1uf9 h GLU 157 N 0.23 0.96 0.00 0.04 4.57 -0.75 0.46 114.58 120.10 1uf9 h GLU 157 Ca -0.20 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1uf9 h GLU 157 Cb 1.98 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 30.35 1uf9 h GLU 157 CO 0.25 0.64 0.00 0.54 -1.18 0.00 0.00 179.01 179.25 1uf9 n ARG 158 N -4.62 0.70 0.22 1.92 1.74 -1.13 -2.93 116.66 112.55 1uf9 n ARG 158 Ca 0.14 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 1uf9 n ARG 158 Cb 0.23 -1.40 0.17 0.00 -1.02 0.00 0.00 32.46 30.44 1uf9 n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1uf9 h ALA 159 N 3.19 0.99 -3.00 7.54 0.00 -0.07 -3.49 119.26 124.41 1uf9 h ALA 159 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uf9 h ALA 159 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uf9 h ALA 159 CO 0.00 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.31 1uf9 n GLN 160 N -3.10 0.00 -4.03 0.00 6.02 -1.15 -5.13 117.38 109.99 1uf9 n GLN 160 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.75 1uf9 n GLN 160 Cb 0.54 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.74 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 0.09 3.03 0.21 -1.09 0.02 -1.26 -5.05 135.00 130.95 1uf9 s PRO 162 Ca 0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 61.00 60.25 1uf9 s PRO 162 Cb 0.00 -2.77 0.18 0.00 0.02 0.00 0.00 34.50 31.93 1uf9 s PRO 162 CO 0.00 0.53 1.65 1.49 -0.33 0.00 0.00 177.00 180.35 1uf9 h GLU 163 N 2.78 0.86 -0.94 5.54 4.81 -1.98 -1.89 114.58 123.75 1uf9 h GLU 163 Ca -0.47 -0.31 0.10 0.00 -0.13 0.00 0.00 59.36 58.55 1uf9 h GLU 163 Cb 1.18 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 1uf9 h GLU 163 CO 0.66 0.94 0.58 0.93 -0.73 0.00 0.00 179.01 181.39 1uf9 h GLU 164 N 0.77 0.93 -0.31 1.92 3.07 -2.02 0.72 114.58 119.66 1uf9 h GLU 164 Ca 0.12 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.79 1uf9 h GLU 164 Cb 0.64 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1uf9 h GLU 164 CO 0.04 0.62 -0.34 0.93 -1.40 0.00 0.00 179.01 178.86 1uf9 h GLU 165 N 0.96 0.79 -0.44 2.33 4.39 -1.90 -1.13 114.58 119.57 1uf9 h GLU 165 Ca 0.45 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1uf9 h GLU 165 Cb 0.39 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1uf9 h GLU 165 CO -0.24 1.05 -0.04 0.87 -1.16 0.00 0.00 179.01 179.49 1uf9 h LYS 166 N 0.55 0.74 -0.53 2.33 1.57 -0.47 -2.66 116.57 118.11 1uf9 h LYS 166 Ca 0.05 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1uf9 h LYS 166 Cb 0.92 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1uf9 h LYS 166 CO 0.08 0.78 0.03 -0.09 -0.57 0.00 0.00 179.45 179.68 1uf9 h ARG 167 N 0.69 0.88 0.00 3.15 2.43 0.62 -1.57 114.38 120.57 1uf9 h ARG 167 Ca 0.13 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1uf9 h ARG 167 Cb 0.48 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1uf9 h ARG 167 CO 0.02 0.86 -0.14 0.87 -1.51 0.00 0.00 179.97 180.08 1uf9 h LYS 168 N 0.82 0.00 -0.04 0.20 1.57 -0.85 -3.23 116.57 115.04 1uf9 h LYS 168 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1uf9 h LYS 168 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1uf9 h LYS 168 CO 0.02 0.14 0.00 2.89 -0.57 0.00 0.00 179.45 181.93 1uf9 n ARG 169 N -3.53 2.61 -3.29 3.15 1.85 -0.97 -5.03 116.66 111.44 1uf9 n ARG 169 Ca -0.01 -1.46 -0.30 0.00 -1.00 0.00 0.00 57.85 55.07 1uf9 n ARG 169 Cb 0.28 -1.03 -0.04 0.00 -1.05 0.00 0.00 32.46 30.62 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 -0.91 3.56 0.04 2.89 0.00 -0.63 -4.99 121.76 121.72 1uf9 s ALA 170 Ca 0.02 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.35 1uf9 s ALA 170 Cb 0.01 -2.41 -0.16 0.00 0.00 0.00 0.00 23.12 20.57 1uf9 s ALA 170 CO 0.02 0.30 1.47 1.15 0.00 0.00 0.00 175.76 178.70 1uf9 h THR 171 N 1.54 1.24 -3.64 0.00 2.02 -1.77 -3.46 112.91 108.85 1uf9 h THR 171 Ca -0.47 -0.74 -0.41 0.00 0.77 0.00 0.00 66.41 65.56 1uf9 h THR 171 Cb 1.18 1.62 -0.19 0.00 -1.74 0.00 0.00 68.15 69.02 1uf9 h THR 171 CO 0.67 0.20 -0.76 0.26 0.37 0.00 0.00 175.52 176.26 1uf9 s TRP 172 N -5.02 1.36 -0.04 3.16 0.51 -0.93 -5.01 118.94 112.98 1uf9 s TRP 172 Ca -0.14 -0.55 0.01 0.00 -2.12 0.00 0.00 56.10 53.29 1uf9 s TRP 172 Cb 0.04 -0.72 0.02 0.00 -0.81 0.00 0.00 33.47 32.01 1uf9 s TRP 172 CO 0.69 0.13 -0.02 0.08 -0.51 0.00 0.00 176.95 177.31 1uf9 s VAL 173 N -2.04 0.35 -0.16 4.03 1.01 -1.26 -0.59 120.40 121.74 1uf9 s VAL 173 Ca 0.07 -0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1uf9 s VAL 173 Cb -0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1uf9 s VAL 173 CO 0.03 0.19 -0.03 -0.76 0.00 0.00 0.00 175.10 174.53 1uf9 s LEU 174 N 1.06 3.26 0.00 3.92 1.43 0.74 -4.97 118.68 124.12 1uf9 s LEU 174 Ca -0.09 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1uf9 s LEU 174 Cb -0.14 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1uf9 s LEU 174 CO -0.01 0.15 0.00 -0.62 0.23 0.00 0.00 176.35 176.10 1uf9 n GLU 175 N 3.66 1.86 -3.64 1.70 -0.58 -1.26 -0.13 120.64 122.25 1uf9 n GLU 175 Ca -0.17 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.49 1uf9 n GLU 175 Cb 0.52 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.32 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 -1.00 -0.79 0.00 1.62 0.01 -1.25 -4.72 114.94 108.81 1uf9 s ASN 176 Ca 0.00 1.34 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 1uf9 s ASN 176 Cb 0.00 1.34 0.00 0.00 0.41 0.00 0.00 41.25 43.00 1uf9 s ASN 176 CO 0.00 -0.22 0.00 0.35 -1.51 0.00 0.00 177.10 175.72 1uf9 n THR 177 N 3.68 0.00 -3.74 1.60 -2.24 -1.26 -4.89 114.28 107.42 1uf9 n THR 177 Ca -0.18 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 1uf9 n THR 177 Cb 0.58 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.08 0.50 3.38 0.00 -1.26 -4.96 107.32 107.07 1uf9 s GLY 178 Ca 0.00 -0.66 0.29 0.00 0.00 0.00 0.00 44.72 44.36 1uf9 s GLY 178 CO 0.00 0.06 1.18 -1.26 0.00 0.00 0.00 173.10 173.08 1uf9 n SER 179 N 3.19 0.00 0.07 1.64 2.88 -1.26 0.42 113.62 120.56 1uf9 n SER 179 Ca -0.16 0.71 -0.13 0.00 -1.33 0.00 0.00 58.87 57.96 1uf9 n SER 179 Cb 0.53 -0.29 -0.09 0.00 -0.75 0.00 0.00 64.21 63.61 1uf9 n SER 179 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1uf9 h LEU 180 N 0.00 -0.15 -0.68 2.46 4.07 -1.98 0.28 115.31 119.31 1uf9 h LEU 180 Ca 0.55 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1uf9 h LEU 180 Cb 2.75 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 44.50 1uf9 h LEU 180 CO -0.01 0.24 0.43 -0.33 -1.08 0.00 0.00 178.44 177.70 1uf9 h GLU 181 N -0.57 0.90 0.31 1.13 3.07 -0.43 -1.56 114.58 117.43 1uf9 h GLU 181 Ca -0.02 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1uf9 h GLU 181 Cb 0.44 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 1uf9 h GLU 181 CO 0.03 0.62 -0.34 0.22 -1.40 0.00 0.00 179.01 178.14 1uf9 h ASP 182 N 0.92 -0.94 -0.72 1.42 -0.00 -1.41 0.81 116.42 116.51 1uf9 h ASP 182 Ca 0.25 0.09 0.21 0.00 -0.00 0.00 0.00 57.03 57.57 1uf9 h ASP 182 Cb -0.08 0.32 -0.03 0.00 -0.00 0.00 0.00 39.33 39.55 1uf9 h ASP 182 CO -0.05 -0.47 0.69 0.25 -0.00 0.00 0.00 179.24 179.66 1uf9 h LEU 183 N -0.69 0.00 0.00 2.28 6.46 0.06 -1.53 115.31 121.89 1uf9 h LEU 183 Ca -0.01 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1uf9 h LEU 183 Cb 0.64 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 1uf9 h LEU 183 CO -0.08 0.00 -0.28 -0.33 -0.62 0.00 0.00 178.44 177.13 1uf9 h GLU 184 N 0.00 0.00 -0.23 1.25 5.08 0.06 -3.22 114.58 117.52 1uf9 h GLU 184 Ca 0.34 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.76 1uf9 h GLU 184 Cb 1.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.91 1uf9 h GLU 184 CO -0.00 0.64 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.40 1uf9 h ARG 185 N -1.00 -0.14 -0.03 2.33 2.43 -0.01 0.64 114.38 118.59 1uf9 h ARG 185 Ca -0.06 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1uf9 h ARG 185 Cb 0.75 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1uf9 h ARG 185 CO -0.04 -0.10 0.03 0.00 -1.51 0.00 0.00 179.97 178.36 1uf9 h ALA 186 N 1.00 1.67 -0.01 2.80 0.00 -1.60 0.27 119.26 123.40 1uf9 h ALA 186 Ca 0.13 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1uf9 h ALA 186 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1uf9 h ALA 186 CO -0.32 -0.05 -0.65 1.25 0.00 0.00 0.00 179.25 179.48 1uf9 h LEU 187 N 0.00 0.03 0.04 0.00 6.46 0.07 -0.04 115.31 121.88 1uf9 h LEU 187 Ca 0.02 -0.02 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1uf9 h LEU 187 Cb 0.08 -0.01 0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1uf9 h LEU 187 CO -0.00 0.67 -0.33 0.11 -0.62 0.00 0.00 178.44 178.28 1uf9 h LYS 188 N 0.02 0.14 0.19 1.25 1.79 0.28 -2.95 116.57 117.30 1uf9 h LYS 188 Ca -0.01 -0.21 -0.01 0.00 -2.18 0.00 0.00 60.65 58.24 1uf9 h LYS 188 Cb 1.16 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1uf9 h LYS 188 CO 0.09 1.05 -0.10 0.00 -1.08 0.00 0.00 179.45 179.41 1uf9 h ALA 189 N 0.10 -0.26 -0.41 3.86 0.00 -0.95 -1.72 119.26 119.88 1uf9 h ALA 189 Ca -0.05 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.92 1uf9 h ALA 189 Cb 1.20 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1uf9 h ALA 189 CO 0.06 -0.65 0.41 -0.24 0.00 0.00 0.00 179.25 178.83 1uf9 h VAL 190 N -0.26 0.44 -0.07 0.00 3.04 -1.11 -0.51 116.25 117.78 1uf9 h VAL 190 Ca -0.02 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.48 1uf9 h VAL 190 Cb 0.21 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 1uf9 h VAL 190 CO 0.04 0.00 -0.73 0.25 -1.01 0.00 0.00 177.57 176.11 1uf9 h LEU 191 N 0.00 0.43 -1.27 3.16 5.85 -1.12 -2.93 115.31 119.43 1uf9 h LEU 191 Ca 0.19 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1uf9 h LEU 191 Cb 1.01 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1uf9 h LEU 191 CO -0.00 1.02 0.02 0.00 -0.34 0.00 0.00 178.44 179.14 1uf9 n ALA 192 N -2.50 1.02 -3.68 1.25 0.00 -0.20 -2.67 120.51 113.73 1uf9 n ALA 192 Ca -0.04 0.18 -0.28 0.00 0.00 0.00 0.00 53.44 53.30 1uf9 n ALA 192 Cb 0.71 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1uf9 n ALA 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uf9 n GLU 193 N -2.17 2.13 -1.13 0.00 1.02 -1.11 -5.06 120.64 114.33 1uf9 n GLU 193 Ca -0.01 -4.56 -0.45 0.00 -0.02 0.00 0.00 57.16 52.12 1uf9 n GLU 193 Cb 0.05 -2.26 -0.11 0.00 -0.02 0.00 0.00 31.44 29.09 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 1.46 0.49 -2.14 -4.62 4.32 -1.09 -4.76 117.00 110.66 1uf9 n LEU 194 Ca 0.25 0.42 -0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1uf9 n LEU 194 Cb 0.38 -0.76 0.04 0.00 -1.62 0.00 0.00 43.42 41.45 1uf9 n LEU 194 CO 0.33 -0.63 0.19 1.07 -1.22 0.00 0.00 177.39 177.12 1uf9 n THR 195 N 5.78 0.47 0.00 -5.08 5.66 -1.26 -5.09 114.28 114.75 1uf9 n THR 195 Ca 0.50 -1.56 0.00 0.00 -3.05 0.00 0.00 64.05 59.94 1uf9 n THR 195 Cb -0.01 1.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 1uf9 n THR 195 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63