#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1if8 n HIS 4 N 0.00 -3.30 -0.98 1.57 -0.00 -1.26 -4.97 115.22 106.28 1if8 n HIS 4 Ca 0.00 1.84 -0.33 0.00 -0.00 0.00 0.00 57.72 59.23 1if8 n HIS 4 Cb 0.00 -3.05 0.12 0.00 -0.00 0.00 0.00 29.99 27.06 1if8 n HIS 4 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 1if8 n TRP 5 N 0.70 0.18 -2.60 1.57 4.27 -1.26 -4.98 117.44 115.31 1if8 n TRP 5 Ca 0.00 0.35 0.00 0.00 -3.89 0.00 0.00 57.50 53.96 1if8 n TRP 5 Cb 0.00 -1.98 0.00 0.00 -1.36 0.00 0.00 31.31 27.97 1if8 n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1if8 n GLY 6 N 0.92 2.30 0.13 -1.67 0.00 -0.75 -5.04 105.19 101.09 1if8 n GLY 6 Ca 0.11 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1if8 n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1if8 n TYR 7 N 0.00 0.06 -2.43 1.61 4.01 -1.26 -3.49 117.16 115.66 1if8 n TYR 7 Ca 0.00 -1.01 -0.25 0.00 -0.16 0.00 0.00 57.90 56.49 1if8 n TYR 7 Cb 0.00 -0.16 0.11 0.00 -0.31 0.00 0.00 39.34 38.98 1if8 n TYR 7 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1if8 s GLY 8 N -2.83 1.76 0.36 2.72 0.00 -1.26 -4.71 107.32 103.37 1if8 s GLY 8 Ca 0.33 -1.50 0.08 0.00 0.00 0.00 0.00 44.72 43.63 1if8 s GLY 8 CO 0.03 -0.95 1.91 1.70 0.00 0.00 0.00 173.10 175.80 1if8 h LYS 9 N -0.68 0.68 -0.01 2.90 3.11 -1.98 0.02 116.57 120.61 1if8 h LYS 9 Ca -0.39 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 1if8 h LYS 9 Cb 1.27 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1if8 h LYS 9 CO 0.43 0.45 -0.34 0.72 -2.81 0.00 0.00 179.45 177.90 1if8 n HIS 10 N -4.52 0.00 -1.73 1.91 8.25 -1.26 -4.45 115.22 113.42 1if8 n HIS 10 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1if8 n HIS 10 Cb 0.37 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1if8 n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1if8 n ASN 11 N -0.29 0.00 -2.79 0.41 6.94 -1.14 -4.92 115.26 113.48 1if8 n ASN 11 Ca 0.11 -1.20 -0.07 0.00 -0.02 0.00 0.00 54.58 53.40 1if8 n ASN 11 Cb 0.41 -0.04 0.06 0.00 -2.36 0.00 0.00 39.78 37.85 1if8 n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1if8 n GLY 12 N 0.00 -2.62 0.30 4.83 0.00 -0.02 -1.80 105.19 105.88 1if8 n GLY 12 Ca 0.00 -1.44 0.10 0.00 0.00 0.00 0.00 46.02 44.68 1if8 n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1if8 h PRO 13 N 0.00 0.11 0.00 1.61 0.11 -1.85 -0.72 132.00 131.26 1if8 h PRO 13 Ca -0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1if8 h PRO 13 Cb 0.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1if8 h PRO 13 CO 0.07 0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.08 1if8 n GLU 14 N -5.34 0.05 -0.01 1.05 0.00 -1.26 -2.12 120.64 113.01 1if8 n GLU 14 Ca 0.18 0.40 0.09 0.00 0.00 0.00 0.00 57.16 57.83 1if8 n GLU 14 Cb 0.61 -1.61 -0.13 0.00 0.00 0.00 0.00 31.44 30.31 1if8 n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1if8 n HIS 15 N -1.71 0.00 -0.16 -1.84 8.25 -0.29 -4.60 115.22 114.88 1if8 n HIS 15 Ca 0.02 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.68 1if8 n HIS 15 Cb 0.11 -0.27 0.60 0.00 1.12 0.00 0.00 29.99 31.55 1if8 n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1if8 h TRP 16 N 0.00 0.28 -0.03 4.41 6.55 -1.34 -1.93 115.95 123.89 1if8 h TRP 16 Ca 0.00 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1if8 h TRP 16 Cb 0.69 -0.09 -0.00 0.00 -0.86 0.00 0.00 29.16 28.90 1if8 h TRP 16 CO 0.00 0.09 0.03 1.12 -1.05 0.00 0.00 178.44 178.63 1if8 h HIS 17 N 0.23 0.00 -0.74 0.49 2.07 -1.78 0.08 115.15 115.50 1if8 h HIS 17 Ca 0.39 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.93 1if8 h HIS 17 Cb 1.18 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.12 1if8 h HIS 17 CO -0.00 0.00 0.48 0.87 -3.07 0.00 0.00 177.93 176.20 1if8 h LYS 18 N 0.00 0.92 0.00 5.12 1.57 -1.69 -3.16 116.57 119.33 1if8 h LYS 18 Ca 0.02 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.49 1if8 h LYS 18 Cb 0.08 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.14 1if8 h LYS 18 CO -0.00 0.61 -2.10 -0.25 -0.57 0.00 0.00 179.45 177.14 1if8 n ASP 19 N -4.61 0.20 -3.93 0.86 8.00 -0.96 -4.71 116.55 111.41 1if8 n ASP 19 Ca 0.08 0.09 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 1if8 n ASP 19 Cb 0.05 1.00 -0.13 0.00 -0.02 0.00 0.00 41.12 42.02 1if8 n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1if8 s PHE 20 N -2.78 3.27 0.56 1.24 0.08 -0.02 -4.97 117.98 115.36 1if8 s PHE 20 Ca -0.08 -3.21 0.29 0.00 0.12 0.00 0.00 56.93 54.05 1if8 s PHE 20 Cb 0.08 -2.77 1.47 0.00 -0.57 0.00 0.00 43.02 41.23 1if8 s PHE 20 CO 0.84 -0.69 1.91 -1.35 -0.10 0.00 0.00 175.22 175.84 1if8 h PRO 21 N 6.19 0.00 0.00 0.24 0.11 -1.80 -1.90 132.00 134.83 1if8 h PRO 21 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1if8 h PRO 21 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1if8 h PRO 21 CO 0.69 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.99 1if8 n ILE 22 N -3.99 1.10 0.29 4.15 3.06 -1.26 -3.09 119.36 119.62 1if8 n ILE 22 Ca 0.12 0.32 0.17 0.00 -2.50 0.00 0.00 62.75 60.85 1if8 n ILE 22 Cb 0.75 -1.17 0.90 0.00 0.54 0.00 0.00 39.64 40.66 1if8 n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if8 h ALA 23 N 2.32 1.12 -0.25 1.51 0.00 -1.65 -0.22 119.26 122.09 1if8 h ALA 23 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1if8 h ALA 23 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1if8 h ALA 23 CO 0.00 -0.12 -0.00 1.63 0.00 0.00 0.00 179.25 180.76 1if8 n LYS 24 N -2.77 2.64 0.00 0.00 5.02 -1.18 -4.99 118.16 116.89 1if8 n LYS 24 Ca -0.02 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.40 1if8 n LYS 24 Cb 0.18 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1if8 n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1if8 n GLY 25 N -0.67 -2.10 0.13 0.72 0.00 -0.10 -5.02 105.19 98.16 1if8 n GLY 25 Ca 0.23 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.85 1if8 n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1if8 h GLU 26 N 0.00 0.00 -2.13 1.61 4.57 -1.96 -3.39 114.58 113.27 1if8 h GLU 26 Ca 0.00 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.64 1if8 h GLU 26 Cb 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.18 1if8 h GLU 26 CO 0.00 0.05 -0.93 2.89 -1.18 0.00 0.00 179.01 179.84 1if8 n ARG 27 N -2.79 1.99 -3.54 1.92 1.85 -1.26 -4.69 116.66 110.14 1if8 n ARG 27 Ca -0.00 -4.06 -0.32 0.00 -1.00 0.00 0.00 57.85 52.47 1if8 n ARG 27 Cb 0.59 -1.93 -0.05 0.00 -1.05 0.00 0.00 32.46 30.01 1if8 n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1if8 s GLN 28 N -2.82 3.72 0.29 2.89 -1.52 -1.26 -2.50 119.66 118.46 1if8 s GLN 28 Ca 0.44 0.11 0.10 0.00 -1.95 0.00 0.00 55.36 54.06 1if8 s GLN 28 Cb 0.30 -2.78 -0.05 0.00 -0.22 0.00 0.00 33.01 30.26 1if8 s GLN 28 CO -0.10 0.41 -0.14 -1.12 -0.25 0.00 0.00 175.29 174.09 1if8 s SER 29 N -2.31 3.35 0.72 5.90 0.01 -1.26 -4.67 113.70 115.43 1if8 s SER 29 Ca 0.43 -1.10 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 1if8 s SER 29 Cb -0.12 -0.27 0.09 0.00 0.21 0.00 0.00 66.02 65.93 1if8 s SER 29 CO 0.22 -0.12 1.02 -2.16 0.41 0.00 0.00 173.24 172.62 1if8 s PRO 30 N -3.59 1.95 0.24 12.44 0.04 -1.26 -4.57 135.00 140.25 1if8 s PRO 30 Ca 0.29 -0.49 0.03 0.00 0.04 0.00 0.00 61.00 60.87 1if8 s PRO 30 Cb -0.01 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1if8 s PRO 30 CO 0.14 -1.36 0.01 0.14 0.04 0.00 0.00 177.00 175.97 1if8 s VAL 31 N -3.25 0.99 -0.05 -0.36 -7.23 -1.26 0.49 120.40 109.73 1if8 s VAL 31 Ca 0.63 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 1if8 s VAL 31 Cb -0.09 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 1if8 s VAL 31 CO 0.45 -0.28 0.56 -0.62 -0.31 0.00 0.00 175.10 174.90 1if8 s ASP 32 N -3.31 6.86 -0.59 4.85 2.15 -1.26 -3.33 116.67 122.05 1if8 s ASP 32 Ca 0.30 1.03 -0.20 0.00 0.43 0.00 0.00 52.55 54.11 1if8 s ASP 32 Cb 0.06 -2.34 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 1if8 s ASP 32 CO 0.09 0.04 0.76 -0.63 -0.17 0.00 0.00 175.17 175.27 1if8 s ILE 33 N 0.20 4.68 -0.68 4.11 -1.09 0.71 -4.92 121.20 124.22 1if8 s ILE 33 Ca 0.30 -0.65 -0.24 0.00 -2.23 0.00 0.00 60.65 57.83 1if8 s ILE 33 Cb -0.17 -4.50 0.06 0.00 -1.58 0.00 0.00 42.46 36.27 1if8 s ILE 33 CO 0.15 -1.13 1.06 -0.62 -1.23 0.00 0.00 174.94 173.16 1if8 s ASP 34 N 3.38 6.18 0.57 3.58 3.68 -1.26 0.22 116.67 133.02 1if8 s ASP 34 Ca 0.16 -0.80 0.27 0.00 2.13 0.00 0.00 52.55 54.31 1if8 s ASP 34 Cb -0.21 -2.46 1.52 0.00 -1.45 0.00 0.00 42.92 40.32 1if8 s ASP 34 CO 0.09 -1.55 2.02 0.71 0.13 0.00 0.00 175.17 176.58 1if8 h THR 35 N 5.99 0.54 -0.00 1.71 1.35 -1.95 -2.01 112.91 118.55 1if8 h THR 35 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1if8 h THR 35 Cb 1.06 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1if8 h THR 35 CO 1.21 0.00 -0.19 1.41 -0.25 0.00 0.00 175.52 177.69 1if8 n HIS 36 N -3.98 0.00 0.33 4.73 8.25 -1.26 -3.74 115.22 119.55 1if8 n HIS 36 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 1if8 n HIS 36 Cb 0.48 -0.38 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1if8 n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1if8 n THR 37 N -1.45 0.00 -2.20 1.59 -1.04 -0.78 -4.98 114.28 105.42 1if8 n THR 37 Ca 0.07 -0.39 -0.42 0.00 -2.04 0.00 0.00 64.05 61.27 1if8 n THR 37 Cb 0.33 1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 69.87 1if8 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1if8 s ALA 38 N -1.31 3.56 -0.25 2.41 0.00 -1.05 -4.81 121.76 120.31 1if8 s ALA 38 Ca 0.05 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.92 1if8 s ALA 38 Cb 0.06 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1if8 s ALA 38 CO 0.22 -0.58 0.53 0.21 0.00 0.00 0.00 175.76 176.15 1if8 s LYS 39 N 0.65 4.09 0.03 0.00 2.20 -0.14 -4.78 119.74 121.79 1if8 s LYS 39 Ca 0.61 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 56.29 1if8 s LYS 39 Cb -0.36 -3.64 -0.08 0.00 -1.51 0.00 0.00 37.83 32.24 1if8 s LYS 39 CO 0.33 -0.34 1.70 -0.47 -0.36 0.00 0.00 175.35 176.21 1if8 s TYR 40 N 2.25 2.14 -0.31 4.03 5.04 -1.26 -1.22 117.35 128.03 1if8 s TYR 40 Ca 0.22 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 55.03 1if8 s TYR 40 Cb -0.16 -3.99 0.07 0.00 0.35 0.00 0.00 41.96 38.23 1if8 s TYR 40 CO 0.09 -4.11 -0.00 0.34 -1.34 0.00 0.00 175.55 170.53 1if8 s ASP 41 N 2.94 4.79 0.01 4.32 -1.08 -0.65 -4.90 116.67 122.10 1if8 s ASP 41 Ca 0.76 -1.51 0.15 0.00 -0.52 0.00 0.00 52.55 51.43 1if8 s ASP 41 Cb -0.38 -1.67 0.65 0.00 -1.46 0.00 0.00 42.92 40.06 1if8 s ASP 41 CO 0.33 -0.29 1.49 -0.81 0.52 0.00 0.00 175.17 176.41 1if8 n PRO 42 N 4.52 0.01 0.00 4.34 -0.04 -1.26 -3.02 135.00 139.54 1if8 n PRO 42 Ca -0.10 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 1if8 n PRO 42 Cb 0.43 -1.52 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 1if8 n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1if8 n SER 43 N -1.53 1.29 -4.77 3.54 3.41 -1.26 -4.91 113.62 109.39 1if8 n SER 43 Ca 0.04 -1.06 -0.39 0.00 -0.26 0.00 0.00 58.87 57.20 1if8 n SER 43 Cb 0.18 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 1if8 n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if8 s LEU 44 N -2.50 4.27 0.39 1.04 1.43 -1.17 -5.04 118.68 117.11 1if8 s LEU 44 Ca 0.23 2.51 0.01 0.00 -1.03 0.00 0.00 54.13 55.85 1if8 s LEU 44 Cb 0.19 -3.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1if8 s LEU 44 CO 0.54 -0.67 0.59 -0.54 0.23 0.00 0.00 176.35 176.49 1if8 s LYS 45 N -2.12 3.26 0.53 1.70 1.02 -1.22 -5.00 119.74 117.90 1if8 s LYS 45 Ca 0.55 -0.49 -0.20 0.00 0.02 0.00 0.00 55.97 55.84 1if8 s LYS 45 Cb -0.35 -2.64 -0.06 0.00 -0.52 0.00 0.00 37.83 34.26 1if8 s LYS 45 CO 0.45 -0.03 1.16 -2.14 -0.92 0.00 0.00 175.35 173.86 1if8 s PRO 46 N -4.39 3.38 0.61 -1.68 0.02 -1.26 -3.13 135.00 128.54 1if8 s PRO 46 Ca 0.44 1.70 -0.17 0.00 0.02 0.00 0.00 61.00 62.99 1if8 s PRO 46 Cb -0.10 -2.09 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 1if8 s PRO 46 CO 0.36 -0.85 1.13 -0.51 -0.33 0.00 0.00 177.00 176.80 1if8 s LEU 47 N -3.66 3.54 -0.33 -5.54 1.43 -1.26 -1.73 118.68 111.13 1if8 s LEU 47 Ca 0.71 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.95 1if8 s LEU 47 Cb -0.26 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.49 1if8 s LEU 47 CO 0.30 -1.51 0.09 -0.55 0.23 0.00 0.00 176.35 174.91 1if8 s SER 48 N -2.17 4.34 -0.31 2.29 0.15 0.40 -4.84 113.70 113.56 1if8 s SER 48 Ca 0.70 -1.94 -0.10 0.00 0.70 0.00 0.00 55.95 55.31 1if8 s SER 48 Cb -0.23 -1.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1if8 s SER 48 CO 0.35 -0.39 0.17 -0.69 1.20 0.00 0.00 173.24 173.88 1if8 s VAL 49 N 1.20 4.78 -0.47 4.45 1.01 -1.26 -0.72 120.40 129.39 1if8 s VAL 49 Ca 0.11 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1if8 s VAL 49 Cb -0.19 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.91 1if8 s VAL 49 CO -0.16 0.08 0.25 -0.44 0.00 0.00 0.00 175.10 174.83 1if8 s SER 50 N 1.65 3.92 -0.20 3.32 0.01 -0.88 -4.93 113.70 116.59 1if8 s SER 50 Ca 0.05 -2.78 0.16 0.00 1.31 0.00 0.00 55.95 54.69 1if8 s SER 50 Cb -0.17 -1.28 0.58 0.00 0.21 0.00 0.00 66.02 65.36 1if8 s SER 50 CO 0.07 -0.25 1.48 -1.22 0.41 0.00 0.00 173.24 173.73 1if8 n TYR 51 N 3.37 1.15 0.36 2.43 4.01 -1.26 -1.70 117.16 125.52 1if8 n TYR 51 Ca 0.07 -0.90 0.14 0.00 -0.16 0.00 0.00 57.90 57.06 1if8 n TYR 51 Cb 0.33 -0.36 0.54 0.00 -0.31 0.00 0.00 39.34 39.54 1if8 n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1if8 h ASP 52 N 2.09 0.00 -0.17 7.72 2.03 -1.92 -3.02 116.42 123.17 1if8 h ASP 52 Ca 0.02 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.27 1if8 h ASP 52 Cb 1.56 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.03 1if8 h ASP 52 CO 0.28 0.00 -0.12 0.00 -1.03 0.00 0.00 179.24 178.38 1if8 n GLN 53 N -2.67 1.91 -1.93 4.15 1.13 -1.24 -5.04 117.38 113.69 1if8 n GLN 53 Ca 0.02 -2.96 -0.42 0.00 -1.94 0.00 0.00 57.00 51.70 1if8 n GLN 53 Cb 0.30 -1.70 -0.03 0.00 0.11 0.00 0.00 30.24 28.93 1if8 n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1if8 s ALA 54 N -3.04 3.68 -0.43 -1.58 0.00 -1.14 -4.65 121.76 114.60 1if8 s ALA 54 Ca 0.39 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 1if8 s ALA 54 Cb 0.35 -3.70 0.10 0.00 0.00 0.00 0.00 23.12 19.87 1if8 s ALA 54 CO 0.02 -1.10 0.26 0.99 0.00 0.00 0.00 175.76 175.92 1if8 s THR 55 N 2.64 3.93 0.31 0.00 2.01 -1.26 -4.80 115.64 118.48 1if8 s THR 55 Ca 0.74 -1.69 -0.21 0.00 0.31 0.00 0.00 61.69 60.84 1if8 s THR 55 Cb -0.40 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1if8 s THR 55 CO 0.32 -0.62 0.83 -0.94 -0.69 0.00 0.00 174.62 173.52 1if8 s SER 56 N 2.20 7.06 -0.00 3.53 1.04 -1.26 -1.17 113.70 125.09 1if8 s SER 56 Ca 0.05 1.56 -0.02 0.00 0.48 0.00 0.00 55.95 58.01 1if8 s SER 56 Cb -0.24 -2.48 -0.01 0.00 0.10 0.00 0.00 66.02 63.39 1if8 s SER 56 CO -0.01 -0.11 -0.05 0.18 0.98 0.00 0.00 173.24 174.23 1if8 n LEU 57 N 0.22 0.66 -3.70 2.42 4.77 -0.19 -4.05 117.00 117.13 1if8 n LEU 57 Ca 0.02 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 1if8 n LEU 57 Cb 0.52 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 1if8 n LEU 57 CO 0.42 -0.21 0.41 0.00 -1.33 0.00 0.00 177.39 176.68 1if8 s ARG 58 N -2.10 1.55 -0.01 3.23 1.70 -1.23 -0.34 118.95 121.74 1if8 s ARG 58 Ca -0.05 -0.81 0.07 0.00 -0.47 0.00 0.00 55.73 54.48 1if8 s ARG 58 Cb 0.02 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1if8 s ARG 58 CO 0.07 -0.69 -0.24 -1.50 -1.08 0.00 0.00 175.30 171.86 1if8 s ILE 59 N -3.86 1.88 -0.01 4.99 2.07 -0.27 -0.38 121.20 125.62 1if8 s ILE 59 Ca 0.08 -1.03 -0.15 0.00 -1.41 0.00 0.00 60.65 58.14 1if8 s ILE 59 Cb -0.03 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.02 1if8 s ILE 59 CO -0.01 0.52 0.31 -1.48 -1.91 0.00 0.00 174.94 172.37 1if8 s LEU 60 N -0.59 0.84 -0.30 8.50 2.34 -0.65 -0.88 118.68 127.94 1if8 s LEU 60 Ca 0.09 0.07 -0.14 0.00 0.06 0.00 0.00 54.13 54.21 1if8 s LEU 60 Cb -0.09 1.28 -0.03 0.00 -0.56 0.00 0.00 46.19 46.79 1if8 s LEU 60 CO -0.01 -0.46 0.32 0.21 -1.06 0.00 0.00 176.35 175.35 1if8 s ASN 61 N -1.38 6.16 -0.02 1.48 3.84 -0.59 -1.62 114.94 122.82 1if8 s ASN 61 Ca -0.13 0.01 0.19 0.00 0.21 0.00 0.00 52.86 53.14 1if8 s ASN 61 Cb -0.05 -2.18 0.56 0.00 -0.55 0.00 0.00 41.25 39.03 1if8 s ASN 61 CO 0.04 -0.21 1.47 -0.46 -2.79 0.00 0.00 177.10 175.15 1if8 n ASN 62 N 5.27 3.76 0.00 -4.21 0.23 -0.96 -1.30 115.26 118.06 1if8 n ASN 62 Ca -0.10 -2.08 0.00 0.00 -0.53 0.00 0.00 54.58 51.87 1if8 n ASN 62 Cb 0.51 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1if8 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1if8 n GLY 63 N 1.21 1.36 0.00 4.83 0.00 -1.26 -4.79 105.19 106.54 1if8 n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1if8 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1if8 n HIS 64 N -2.00 0.00 -3.55 1.61 8.25 -1.26 -4.73 115.22 113.54 1if8 n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1if8 n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1if8 n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1if8 n ALA 65 N -2.06 -0.19 -2.55 -1.41 0.00 -1.26 -4.86 120.51 108.19 1if8 n ALA 65 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1if8 n ALA 65 Cb 0.49 0.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1if8 n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1if8 s PHE 66 N -5.12 2.42 -0.06 0.00 -0.71 -1.26 -2.26 117.98 111.00 1if8 s PHE 66 Ca 0.02 -0.56 0.06 0.00 -1.04 0.00 0.00 56.93 55.40 1if8 s PHE 66 Cb -0.00 -1.57 -0.01 0.00 -1.21 0.00 0.00 43.02 40.23 1if8 s PHE 66 CO 0.00 -0.11 -0.23 -0.80 -1.34 0.00 0.00 175.22 172.74 1if8 s ASN 67 N -0.38 3.27 -0.24 1.98 0.02 -0.64 -4.24 114.94 114.71 1if8 s ASN 67 Ca 0.03 -0.45 -0.09 0.00 -1.02 0.00 0.00 52.86 51.34 1if8 s ASN 67 Cb -0.12 -0.81 -0.04 0.00 0.02 0.00 0.00 41.25 40.30 1if8 s ASN 67 CO 0.02 0.27 0.11 -0.69 0.02 0.00 0.00 177.10 176.82 1if8 s VAL 68 N -0.28 4.77 0.13 1.60 1.01 -0.88 -1.64 120.40 125.11 1if8 s VAL 68 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 1if8 s VAL 68 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1if8 s VAL 68 CO 0.03 0.34 0.30 -1.61 0.00 0.00 0.00 175.10 174.16 1if8 s GLU 69 N 1.32 3.49 0.22 2.72 2.02 0.49 -2.46 118.70 126.50 1if8 s GLU 69 Ca 0.06 -0.40 0.09 0.00 0.02 0.00 0.00 54.97 54.74 1if8 s GLU 69 Cb -0.15 -2.94 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 1if8 s GLU 69 CO 0.05 0.51 -0.17 -0.06 0.02 0.00 0.00 175.26 175.61 1if8 s PHE 70 N -1.69 1.94 -0.36 1.61 0.40 -0.63 -1.02 117.98 118.23 1if8 s PHE 70 Ca 0.37 -0.47 -0.28 0.00 -0.60 0.00 0.00 56.93 55.95 1if8 s PHE 70 Cb -0.12 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.54 1if8 s PHE 70 CO 0.28 0.48 1.03 0.34 0.70 0.00 0.00 175.22 178.05 1if8 s ASP 71 N -3.27 6.78 -0.28 1.36 -1.08 -0.32 -4.87 116.67 114.99 1if8 s ASP 71 Ca 0.24 0.77 0.09 0.00 -0.52 0.00 0.00 52.55 53.13 1if8 s ASP 71 Cb -0.03 -2.51 0.46 0.00 -1.46 0.00 0.00 42.92 39.38 1if8 s ASP 71 CO 0.10 -0.93 1.33 -0.90 0.52 0.00 0.00 175.17 175.29 1if8 n ASP 72 N 6.99 3.06 0.16 -0.34 5.75 -1.26 -4.69 116.55 126.22 1if8 n ASP 72 Ca 0.10 -3.83 0.04 0.00 -0.01 0.00 0.00 54.79 51.10 1if8 n ASP 72 Cb 0.48 -0.54 0.16 0.00 -1.03 0.00 0.00 41.12 40.19 1if8 n ASP 72 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1if8 h SER 73 N 1.35 0.00 -4.57 -1.12 4.64 -1.96 -3.46 113.55 108.44 1if8 h SER 73 Ca 0.20 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.21 1if8 h SER 73 Cb 1.34 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.28 1if8 h SER 73 CO 0.40 0.43 -0.64 -1.10 -0.87 0.00 0.00 176.83 175.05 1if8 s GLN 74 N -3.21 1.24 -0.98 4.77 -0.21 -1.26 -5.07 119.66 114.93 1if8 s GLN 74 Ca 0.03 -1.63 -0.21 0.00 0.02 0.00 0.00 55.36 53.56 1if8 s GLN 74 Cb 0.09 -0.23 -0.10 0.00 1.00 0.00 0.00 33.01 33.76 1if8 s GLN 74 CO 0.71 -0.21 1.96 -0.25 -2.12 0.00 0.00 175.29 175.38 1if8 n ASP 75 N -0.33 2.97 -0.05 5.90 8.00 -1.26 -4.62 116.55 127.16 1if8 n ASP 75 Ca -0.03 -2.72 -0.22 0.00 0.71 0.00 0.00 54.79 52.53 1if8 n ASP 75 Cb 0.65 -1.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.26 1if8 n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if8 n LYS 76 N 7.22 0.68 -3.88 -1.24 5.02 -1.26 -4.86 118.16 119.84 1if8 n LYS 76 Ca 0.49 0.35 -0.28 0.00 -2.02 0.00 0.00 58.31 56.84 1if8 n LYS 76 Cb 0.42 -1.69 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 1if8 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1if8 s ALA 77 N -2.49 1.49 0.34 7.82 0.00 -1.26 -3.63 121.76 124.02 1if8 s ALA 77 Ca -0.27 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1if8 s ALA 77 Cb 0.07 -1.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 1if8 s ALA 77 CO 0.68 -0.90 0.08 0.14 0.00 0.00 0.00 175.76 175.75 1if8 s VAL 78 N 1.63 0.98 -0.05 0.00 -7.23 -0.69 -1.69 120.40 113.35 1if8 s VAL 78 Ca -0.01 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1if8 s VAL 78 Cb -0.16 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.12 1if8 s VAL 78 CO -0.07 0.00 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.39 1if8 s LEU 79 N -3.50 1.66 0.28 1.32 2.96 -0.33 -2.07 118.68 119.00 1if8 s LEU 79 Ca 0.33 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1if8 s LEU 79 Cb 0.07 -0.71 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 1if8 s LEU 79 CO 0.15 0.04 0.22 -0.54 -1.32 0.00 0.00 176.35 174.90 1if8 s LYS 80 N 0.52 1.53 2.40 1.98 1.02 0.10 -2.61 119.74 124.68 1if8 s LYS 80 Ca -0.10 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.04 1if8 s LYS 80 Cb -0.13 0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1if8 s LYS 80 CO 0.02 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1if8 n GLY 81 N -0.48 -0.49 7.00 -3.33 0.00 -1.26 -0.45 105.19 106.18 1if8 n GLY 81 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1if8 n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1if8 n GLY 82 N 0.00 3.22 0.61 -0.02 0.00 -0.70 -1.57 105.19 106.72 1if8 n GLY 82 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1if8 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1if8 n PRO 83 N 13.75 1.79 -2.50 1.61 -0.04 -1.26 -3.38 135.00 144.96 1if8 n PRO 83 Ca 0.00 -1.23 -0.33 0.00 -0.04 0.00 0.00 63.50 61.90 1if8 n PRO 83 Cb 0.00 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1if8 n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1if8 s LEU 84 N -2.06 3.77 -0.27 1.53 1.43 -0.61 -5.06 118.68 117.42 1if8 s LEU 84 Ca 0.33 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1if8 s LEU 84 Cb 0.20 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.95 1if8 s LEU 84 CO 0.35 -0.71 -0.03 -0.62 0.23 0.00 0.00 176.35 175.57 1if8 s ASP 85 N -2.35 4.16 0.00 2.29 -1.08 -1.26 -4.53 116.67 113.90 1if8 s ASP 85 Ca 0.64 -1.45 0.00 0.00 -0.52 0.00 0.00 52.55 51.22 1if8 s ASP 85 Cb -0.13 -1.30 0.00 0.00 -1.46 0.00 0.00 42.92 40.03 1if8 s ASP 85 CO 0.23 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.26 1if8 n GLY 86 N 4.56 -2.13 3.56 2.66 0.00 -1.26 -4.98 105.19 107.61 1if8 n GLY 86 Ca -0.08 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 1if8 n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1if8 s THR 87 N -0.36 4.32 -0.13 2.61 2.01 -1.26 -4.70 115.64 118.13 1if8 s THR 87 Ca 0.00 -0.20 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1if8 s THR 87 Cb 0.00 -2.92 -0.02 0.00 0.01 0.00 0.00 72.50 69.56 1if8 s THR 87 CO 0.00 0.48 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.03 1if8 s TYR 88 N 0.36 2.94 -0.16 4.92 1.51 -1.07 -0.18 117.35 125.66 1if8 s TYR 88 Ca -0.01 -0.33 -0.12 0.00 -1.01 0.00 0.00 57.07 55.60 1if8 s TYR 88 Cb -0.13 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1if8 s TYR 88 CO 0.02 -0.01 0.23 1.03 -1.11 0.00 0.00 175.55 175.70 1if8 s ARG 89 N 0.12 4.13 0.04 -0.62 0.52 -0.05 -1.19 118.95 121.91 1if8 s ARG 89 Ca -0.03 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.86 1if8 s ARG 89 Cb -0.14 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 1if8 s ARG 89 CO 0.03 0.34 1.40 -1.17 0.02 0.00 0.00 175.30 175.92 1if8 s LEU 90 N 0.20 4.34 -0.05 2.53 2.96 -0.68 -0.94 118.68 127.04 1if8 s LEU 90 Ca 0.14 2.19 0.02 0.00 -0.22 0.00 0.00 54.13 56.26 1if8 s LEU 90 Cb -0.12 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1if8 s LEU 90 CO 0.02 -0.69 -0.02 0.00 -1.32 0.00 0.00 176.35 174.34 1if8 n ILE 91 N 4.41 0.29 -3.52 6.68 3.06 -0.32 -4.59 119.36 125.36 1if8 n ILE 91 Ca 0.13 -0.15 -0.08 0.00 -2.50 0.00 0.00 62.75 60.15 1if8 n ILE 91 Cb 0.43 -0.79 -0.02 0.00 0.54 0.00 0.00 39.64 39.80 1if8 n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1if8 s GLN 92 N -2.10 0.76 0.06 9.51 1.03 -1.22 -1.60 119.66 126.10 1if8 s GLN 92 Ca -0.05 -0.29 0.03 0.00 0.04 0.00 0.00 55.36 55.10 1if8 s GLN 92 Cb 0.02 0.35 -0.03 0.00 0.03 0.00 0.00 33.01 33.38 1if8 s GLN 92 CO 0.15 -0.33 -0.10 -0.59 -2.54 0.00 0.00 175.29 171.87 1if8 s PHE 93 N -3.04 0.87 0.24 9.60 -0.12 -1.03 -0.82 117.98 123.68 1if8 s PHE 93 Ca 0.06 -0.51 -0.14 0.00 -0.05 0.00 0.00 56.93 56.29 1if8 s PHE 93 Cb -0.01 -0.50 0.00 0.00 -0.63 0.00 0.00 43.02 41.88 1if8 s PHE 93 CO -0.08 -0.04 0.50 -3.38 -0.05 0.00 0.00 175.22 172.17 1if8 s HIS 94 N -1.49 0.27 0.30 3.49 -3.43 -0.58 -2.08 115.29 111.76 1if8 s HIS 94 Ca -0.06 -0.64 0.09 0.00 -0.80 0.00 0.00 55.06 53.65 1if8 s HIS 94 Cb -0.09 0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 31.25 1if8 s HIS 94 CO 0.01 -1.00 -0.11 -0.06 -2.00 0.00 0.00 174.74 171.58 1if8 s PHE 95 N -3.99 2.18 -0.05 0.38 0.40 -1.26 -0.61 117.98 115.03 1if8 s PHE 95 Ca 0.20 -0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.02 1if8 s PHE 95 Cb -0.01 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.37 1if8 s PHE 95 CO 0.07 0.50 -0.09 -1.01 0.70 0.00 0.00 175.22 175.39 1if8 s HIS 96 N -2.74 1.13 0.22 0.36 3.76 -0.64 -4.78 115.29 112.60 1if8 s HIS 96 Ca 0.30 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1if8 s HIS 96 Cb 0.01 -0.85 -0.02 0.00 1.11 0.00 0.00 32.58 32.83 1if8 s HIS 96 CO 0.14 -0.20 0.32 1.67 -0.85 0.00 0.00 174.74 175.82 1if8 s TRP 97 N 0.58 0.71 0.49 1.40 -2.14 -1.24 -1.29 118.94 117.46 1if8 s TRP 97 Ca -0.10 -1.01 0.05 0.00 2.66 0.00 0.00 56.10 57.69 1if8 s TRP 97 Cb -0.13 -0.15 -0.00 0.00 -3.10 0.00 0.00 33.47 30.08 1if8 s TRP 97 CO 0.02 -0.83 0.25 0.20 -2.66 0.00 0.00 176.95 173.93 1if8 s GLY 98 N -3.08 2.50 0.00 3.67 0.00 -1.20 -0.75 107.32 108.46 1if8 s GLY 98 Ca 0.29 -1.34 0.27 0.00 0.00 0.00 0.00 44.72 43.94 1if8 s GLY 98 CO 0.10 -1.98 1.61 -1.14 0.00 0.00 0.00 173.10 171.69 1if8 n SER 99 N -1.49 0.91 -3.87 1.64 3.41 -1.26 -4.44 113.62 108.51 1if8 n SER 99 Ca -0.05 -0.80 -0.10 0.00 -0.26 0.00 0.00 58.87 57.65 1if8 n SER 99 Cb 0.65 0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.61 1if8 n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if8 s LEU 100 N -2.52 1.52 0.61 1.04 1.43 -1.26 -5.06 118.68 114.44 1if8 s LEU 100 Ca 0.24 -0.41 0.40 0.00 -1.03 0.00 0.00 54.13 53.34 1if8 s LEU 100 Cb 0.19 0.83 2.12 0.00 0.03 0.00 0.00 46.19 49.36 1if8 s LEU 100 CO 0.52 -0.53 2.23 0.44 0.23 0.00 0.00 176.35 179.24 1if8 h ASP 101 N 3.57 0.00 -0.40 2.29 3.32 -1.92 -2.93 116.42 120.34 1if8 h ASP 101 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1if8 h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1if8 h ASP 101 CO 0.49 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.62 1if8 n GLY 102 N -0.90 2.42 3.48 2.75 0.00 -1.26 -3.61 105.19 108.08 1if8 n GLY 102 Ca -0.02 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1if8 n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1if8 s GLN 103 N -2.13 1.06 0.00 1.61 -2.07 -1.11 -4.74 119.66 112.27 1if8 s GLN 103 Ca 0.37 -0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.78 1if8 s GLN 103 Cb 0.28 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.69 1if8 s GLN 103 CO 0.12 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 174.09 1if8 n GLY 104 N 0.20 2.13 3.74 2.60 0.00 -1.04 -3.33 105.19 109.48 1if8 n GLY 104 Ca -0.16 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1if8 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if8 s SER 105 N 0.00 4.31 -0.22 1.61 1.04 -0.84 -3.68 113.70 115.92 1if8 s SER 105 Ca 0.00 2.13 -0.17 0.00 0.48 0.00 0.00 55.95 58.39 1if8 s SER 105 Cb 0.00 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.43 1if8 s SER 105 CO 0.00 -2.17 -0.11 -0.62 0.98 0.00 0.00 173.24 171.32 1if8 n GLU 106 N -3.02 0.56 -2.68 4.02 1.02 -1.26 -4.86 120.64 114.41 1if8 n GLU 106 Ca 0.11 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.34 1if8 n GLU 106 Cb 0.52 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 1if8 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1if8 s HIS 107 N -2.46 3.29 0.25 -0.32 3.76 -1.26 -4.41 115.29 114.13 1if8 s HIS 107 Ca -0.31 1.58 0.07 0.00 -0.15 0.00 0.00 55.06 56.25 1if8 s HIS 107 Cb 0.09 -2.87 -0.05 0.00 1.11 0.00 0.00 32.58 30.85 1if8 s HIS 107 CO 0.49 -0.28 -0.09 0.95 -0.85 0.00 0.00 174.74 174.96 1if8 s THR 108 N -2.25 1.68 -0.24 1.30 -4.23 -1.21 -4.77 115.64 105.93 1if8 s THR 108 Ca 0.62 -2.16 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1if8 s THR 108 Cb -0.10 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.49 1if8 s THR 108 CO 0.18 -0.40 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.07 1if8 s VAL 109 N -2.99 1.93 -1.42 2.29 1.01 -0.97 -0.21 120.40 120.04 1if8 s VAL 109 Ca 0.27 -1.43 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 1if8 s VAL 109 Cb 0.02 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1if8 s VAL 109 CO 0.10 -0.01 1.06 0.47 0.00 0.00 0.00 175.10 176.73 1if8 n ASP 110 N 4.53 -5.14 0.00 3.32 8.00 0.13 -1.64 116.55 125.75 1if8 n ASP 110 Ca -0.14 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1if8 n ASP 110 Cb 0.43 -4.50 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1if8 n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1if8 n LYS 111 N -4.78 0.00 -2.78 -1.24 4.76 -1.26 -5.01 118.16 107.84 1if8 n LYS 111 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 1if8 n LYS 111 Cb 0.56 -2.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.38 1if8 n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1if8 s LYS 112 N -0.07 4.49 -0.10 1.97 2.20 -0.65 -5.01 119.74 122.57 1if8 s LYS 112 Ca 0.00 1.29 -0.08 0.00 -0.36 0.00 0.00 55.97 56.82 1if8 s LYS 112 Cb 0.00 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1if8 s LYS 112 CO 0.00 -0.09 0.18 0.15 -0.36 0.00 0.00 175.35 175.22 1if8 s LYS 113 N 1.23 3.50 0.41 4.03 1.02 -1.26 -2.29 119.74 126.37 1if8 s LYS 113 Ca 0.48 -0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.44 1if8 s LYS 113 Cb -0.20 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 33.93 1if8 s LYS 113 CO 0.23 0.76 0.58 0.71 -0.92 0.00 0.00 175.35 176.72 1if8 s TYR 114 N -1.06 2.99 0.39 3.18 2.02 -1.26 -4.65 117.35 118.96 1if8 s TYR 114 Ca 0.17 -0.17 0.25 0.00 -0.37 0.00 0.00 57.07 56.95 1if8 s TYR 114 Cb -0.13 -2.29 1.32 0.00 -0.40 0.00 0.00 41.96 40.47 1if8 s TYR 114 CO 0.06 -0.33 2.03 0.00 -1.57 0.00 0.00 175.55 175.73 1if8 h ALA 115 N 0.60 1.29 -2.35 3.71 0.00 -1.47 -2.16 119.26 118.89 1if8 h ALA 115 Ca -0.43 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.52 1if8 h ALA 115 Cb 1.27 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 1if8 h ALA 115 CO 0.51 0.19 0.56 0.00 0.00 0.00 0.00 179.25 180.51 1if8 s ALA 116 N -4.17 -1.68 -0.08 0.00 0.00 -1.16 -3.24 121.76 111.43 1if8 s ALA 116 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1if8 s ALA 116 Cb 0.13 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1if8 s ALA 116 CO 0.61 -1.06 0.18 -2.00 0.00 0.00 0.00 175.76 173.49 1if8 s GLU 117 N -2.68 0.15 -0.18 0.00 2.12 -0.41 -1.28 118.70 116.42 1if8 s GLU 117 Ca 0.17 0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.76 1if8 s GLU 117 Cb -0.01 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 1if8 s GLU 117 CO 0.03 -0.12 0.19 -1.17 -0.54 0.00 0.00 175.26 173.65 1if8 s LEU 118 N 0.87 4.23 -0.25 2.70 2.96 0.89 -1.62 118.68 128.46 1if8 s LEU 118 Ca -0.06 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1if8 s LEU 118 Cb -0.08 -2.20 0.05 0.00 0.50 0.00 0.00 46.19 44.45 1if8 s LEU 118 CO -0.05 0.16 -0.10 -1.00 -1.32 0.00 0.00 176.35 174.04 1if8 s HIS 119 N 0.31 3.15 -0.44 5.38 3.76 0.22 -1.16 115.29 126.52 1if8 s HIS 119 Ca 0.12 -2.02 -0.15 0.00 -0.15 0.00 0.00 55.06 52.86 1if8 s HIS 119 Cb -0.12 -1.98 0.04 0.00 1.11 0.00 0.00 32.58 31.64 1if8 s HIS 119 CO 0.01 -0.83 0.34 -0.51 -0.85 0.00 0.00 174.74 172.89 1if8 s LEU 120 N 1.19 5.32 -0.16 0.89 1.43 -0.61 -1.53 118.68 125.21 1if8 s LEU 120 Ca -0.05 -1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 51.76 1if8 s LEU 120 Cb -0.18 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1if8 s LEU 120 CO -0.06 -0.53 0.53 -0.69 0.23 0.00 0.00 176.35 175.83 1if8 s VAL 121 N 1.65 5.12 0.11 -1.59 1.01 -0.00 -1.20 120.40 125.50 1if8 s VAL 121 Ca 0.04 1.01 0.07 0.00 0.00 0.00 0.00 61.98 63.11 1if8 s VAL 121 Cb -0.21 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 1if8 s VAL 121 CO 0.08 0.23 -0.18 -1.00 0.00 0.00 0.00 175.10 174.23 1if8 s HIS 122 N 1.25 1.64 0.05 5.22 3.76 0.16 -1.18 115.29 126.19 1if8 s HIS 122 Ca 0.26 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 54.78 1if8 s HIS 122 Cb -0.15 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 1if8 s HIS 122 CO 0.10 0.20 -0.19 1.67 -0.85 0.00 0.00 174.74 175.67 1if8 s TRP 123 N -1.52 1.67 -0.26 1.40 1.48 -0.11 -1.60 118.94 119.99 1if8 s TRP 123 Ca 0.07 -0.38 -0.28 0.00 -1.06 0.00 0.00 56.10 54.45 1if8 s TRP 123 Cb -0.08 -0.98 -0.04 0.00 -1.16 0.00 0.00 33.47 31.21 1if8 s TRP 123 CO 0.04 0.09 2.02 1.21 -4.06 0.00 0.00 176.95 176.26 1if8 s ASN 124 N -1.27 5.68 0.61 -2.66 3.84 0.76 -0.87 114.94 121.02 1if8 s ASN 124 Ca 0.06 1.66 0.31 0.00 0.21 0.00 0.00 52.86 55.09 1if8 s ASN 124 Cb -0.09 -2.52 1.72 0.00 -0.55 0.00 0.00 41.25 39.82 1if8 s ASN 124 CO 0.02 -1.82 2.09 0.71 -2.79 0.00 0.00 177.10 175.31 1if8 h THR 125 N 6.96 0.35 -0.36 -5.21 1.35 -0.92 -1.35 112.91 113.72 1if8 h THR 125 Ca -0.38 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.59 1if8 h THR 125 Cb 1.21 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1if8 h THR 125 CO 0.99 0.00 0.30 0.50 -0.25 0.00 0.00 175.52 177.06 1if8 h LYS 127 N 0.00 0.00 -0.03 4.72 3.64 -1.90 -2.77 116.57 120.23 1if8 h LYS 127 Ca 0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1if8 h LYS 127 Cb 0.52 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1if8 h LYS 127 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1if8 n TYR 128 N -4.12 0.03 0.00 1.91 4.01 -0.51 -4.99 117.16 113.49 1if8 n TYR 128 Ca 0.06 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1if8 n TYR 128 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1if8 n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1if8 n GLY 129 N 1.12 1.99 3.30 2.72 0.00 -1.05 -4.57 105.19 108.71 1if8 n GLY 129 Ca 0.19 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1if8 n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1if8 s ASP 130 N 0.00 -0.09 0.29 1.61 1.47 -1.26 -5.06 116.67 113.63 1if8 s ASP 130 Ca 0.00 -0.50 0.04 0.00 1.18 0.00 0.00 52.55 53.27 1if8 s ASP 130 Cb 0.00 0.44 0.70 0.00 -0.34 0.00 0.00 42.92 43.71 1if8 s ASP 130 CO 0.00 -0.84 1.74 0.15 0.68 0.00 0.00 175.17 176.90 1if8 h PHE 131 N 2.49 0.83 -0.66 2.11 3.57 -1.95 -1.11 116.94 122.22 1if8 h PHE 131 Ca -0.33 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.25 1if8 h PHE 131 Cb 1.24 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1if8 h PHE 131 CO 0.37 0.10 0.44 0.78 -2.23 0.00 0.00 178.31 177.76 1if8 h GLY 132 N 0.57 0.86 1.14 2.40 0.00 -1.97 -2.09 103.07 104.00 1if8 h GLY 132 Ca 0.55 -0.29 -0.28 0.00 0.00 0.00 0.00 47.33 47.32 1if8 h GLY 132 CO -0.44 0.23 -1.14 0.50 0.00 0.00 0.00 176.54 175.69 1if8 h LYS 133 N 0.72 0.59 -0.99 4.80 1.79 -1.49 -3.31 116.57 118.68 1if8 h LYS 133 Ca 0.28 -0.77 0.10 0.00 -2.18 0.00 0.00 60.65 58.07 1if8 h LYS 133 Cb 0.19 0.25 -0.08 0.00 -1.58 0.00 0.00 32.23 31.01 1if8 h LYS 133 CO -0.08 1.34 0.63 0.00 -1.08 0.00 0.00 179.45 180.26 1if8 h ALA 134 N 0.28 1.45 0.00 3.86 0.00 -0.91 0.18 119.26 124.13 1if8 h ALA 134 Ca -0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1if8 h ALA 134 Cb 1.82 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1if8 h ALA 134 CO 0.22 0.30 0.00 1.33 0.00 0.00 0.00 179.25 181.10 1if8 n VAL 135 N -4.58 0.00 0.15 0.00 0.24 -0.84 -1.90 118.33 111.40 1if8 n VAL 135 Ca 0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.52 1if8 n VAL 135 Cb 0.29 -0.37 0.07 0.00 -1.47 0.00 0.00 33.84 32.36 1if8 n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1if8 n GLN 136 N -0.60 1.29 -4.40 7.34 6.02 0.05 -4.93 117.38 122.16 1if8 n GLN 136 Ca 0.02 -1.38 -0.28 0.00 -0.01 0.00 0.00 57.00 55.35 1if8 n GLN 136 Cb 0.01 -1.18 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 1if8 n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1if8 s GLN 137 N -0.83 1.47 0.47 -1.09 -1.52 -0.80 -5.05 119.66 112.31 1if8 s GLN 137 Ca 0.13 -1.41 0.14 0.00 -1.95 0.00 0.00 55.36 52.27 1if8 s GLN 137 Cb 0.08 -1.89 1.09 0.00 -0.22 0.00 0.00 33.01 32.07 1if8 s GLN 137 CO 0.11 0.43 2.06 -1.00 -0.25 0.00 0.00 175.29 176.64 1if8 h PRO 138 N 3.61 0.06 -0.45 2.91 0.13 -1.86 -2.79 132.00 133.60 1if8 h PRO 138 Ca -0.49 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.30 1if8 h PRO 138 Cb 1.18 -0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.03 1if8 h PRO 138 CO 0.43 0.13 -0.73 -0.40 -0.23 0.00 0.00 178.00 177.20 1if8 n ASP 139 N -4.42 3.53 0.10 1.44 5.75 -1.26 -4.19 116.55 117.49 1if8 n ASP 139 Ca -0.02 -3.68 -0.04 0.00 -0.01 0.00 0.00 54.79 51.04 1if8 n ASP 139 Cb 0.17 -0.41 0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1if8 n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1if8 h GLY 140 N 1.75 0.00 -2.33 6.12 0.00 -1.34 -3.43 103.07 103.83 1if8 h GLY 140 Ca 0.20 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.93 1if8 h GLY 140 CO 0.45 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 177.30 1if8 s LEU 141 N -7.09 2.57 -0.11 3.11 1.43 -0.19 -0.17 118.68 118.23 1if8 s LEU 141 Ca 0.00 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.05 1if8 s LEU 141 Cb 0.11 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.32 1if8 s LEU 141 CO 0.79 0.03 0.15 0.00 0.23 0.00 0.00 176.35 177.55 1if8 s ALA 142 N -2.48 -0.08 -0.18 4.21 0.00 -0.63 -2.04 121.76 120.57 1if8 s ALA 142 Ca 0.28 0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 1if8 s ALA 142 Cb -0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1if8 s ALA 142 CO 0.14 -0.74 -0.10 0.08 0.00 0.00 0.00 175.76 175.14 1if8 s VAL 143 N 2.27 3.09 -0.40 0.00 1.01 -1.12 -0.67 120.40 124.58 1if8 s VAL 143 Ca 0.04 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1if8 s VAL 143 Cb -0.13 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.91 1if8 s VAL 143 CO -0.07 0.48 0.54 -0.22 0.00 0.00 0.00 175.10 175.82 1if8 s LEU 144 N 1.02 4.56 -0.17 3.92 2.96 -0.34 -2.37 118.68 128.26 1if8 s LEU 144 Ca -0.01 -0.33 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 1if8 s LEU 144 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1if8 s LEU 144 CO -0.01 -0.62 0.10 -0.83 -1.32 0.00 0.00 176.35 173.68 1if8 s GLY 145 N 1.86 2.02 -0.02 7.98 0.00 -0.20 -1.58 107.32 117.39 1if8 s GLY 145 Ca 0.18 -0.70 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1if8 s GLY 145 CO 0.15 -0.07 -0.13 -0.42 0.00 0.00 0.00 173.10 172.64 1if8 s ILE 146 N -0.09 1.04 0.20 0.90 1.01 -0.31 -1.36 121.20 122.59 1if8 s ILE 146 Ca 0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1if8 s ILE 146 Cb -0.12 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.39 1if8 s ILE 146 CO 0.00 0.30 0.55 -0.36 0.00 0.00 0.00 174.94 175.44 1if8 s PHE 147 N -0.08 3.49 -0.15 3.97 0.08 -1.26 -0.08 117.98 123.95 1if8 s PHE 147 Ca 0.01 0.96 0.01 0.00 0.12 0.00 0.00 56.93 58.03 1if8 s PHE 147 Cb -0.08 -2.31 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1if8 s PHE 147 CO 0.00 0.33 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.76 1if8 s LEU 148 N -2.48 2.31 0.08 -0.37 1.02 -0.41 -1.07 118.68 117.77 1if8 s LEU 148 Ca 0.44 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 54.13 1if8 s LEU 148 Cb -0.13 -1.51 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1if8 s LEU 148 CO 0.20 0.07 -0.18 -1.59 0.02 0.00 0.00 176.35 174.88 1if8 s LYS 149 N 0.86 1.93 -0.26 1.70 -2.85 -0.45 -2.04 119.74 118.62 1if8 s LYS 149 Ca -0.05 -1.08 -0.29 0.00 -1.00 0.00 0.00 55.97 53.55 1if8 s LYS 149 Cb -0.15 -2.16 0.01 0.00 -2.06 0.00 0.00 37.83 33.47 1if8 s LYS 149 CO -0.02 0.51 1.17 0.08 0.10 0.00 0.00 175.35 177.19 1if8 s VAL 150 N -1.05 4.40 0.00 1.79 1.01 -1.26 -1.83 120.40 123.46 1if8 s VAL 150 Ca 0.17 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1if8 s VAL 150 Cb -0.11 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1if8 s VAL 150 CO 0.08 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1if8 n GLY 151 N 3.82 2.20 3.85 4.51 0.00 0.60 -4.91 105.19 115.26 1if8 n GLY 151 Ca 0.13 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.07 1if8 n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1if8 s SER 152 N 2.00 5.09 0.50 1.61 1.04 -1.26 -3.89 113.70 118.79 1if8 s SER 152 Ca 0.00 1.20 -0.20 0.00 0.48 0.00 0.00 55.95 57.43 1if8 s SER 152 Cb 0.00 -1.98 -0.08 0.00 0.10 0.00 0.00 66.02 64.06 1if8 s SER 152 CO 0.00 -1.58 1.05 0.00 0.98 0.00 0.00 173.24 173.70 1if8 s ALA 153 N -3.28 2.85 -0.35 5.32 0.00 -1.26 -2.01 121.76 123.03 1if8 s ALA 153 Ca 0.59 0.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 1if8 s ALA 153 Cb -0.12 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.79 1if8 s ALA 153 CO 0.53 -0.38 0.11 0.21 0.00 0.00 0.00 175.76 176.23 1if8 s LYS 154 N -3.26 2.45 0.20 0.00 2.47 -1.24 -4.84 119.74 115.52 1if8 s LYS 154 Ca 0.68 -1.36 -0.18 0.00 -1.56 0.00 0.00 55.97 53.56 1if8 s LYS 154 Cb -0.17 -3.44 0.18 0.00 -1.46 0.00 0.00 37.83 32.94 1if8 s LYS 154 CO 0.21 -0.76 1.60 -1.35 0.16 0.00 0.00 175.35 175.21 1if8 h PRO 155 N 8.14 -0.10 0.00 4.03 0.11 -1.92 -1.82 132.00 140.45 1if8 h PRO 155 Ca -0.21 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1if8 h PRO 155 Cb 1.07 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1if8 h PRO 155 CO 0.62 -0.06 0.02 0.78 -0.21 0.00 0.00 178.00 179.14 1if8 h GLY 156 N -0.10 0.00 0.81 -0.55 0.00 -1.96 -1.51 103.07 99.77 1if8 h GLY 156 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.41 1if8 h GLY 156 CO -0.69 0.00 -1.59 -0.10 0.00 0.00 0.00 176.54 174.16 1if8 n LEU 157 N -2.32 0.71 -0.28 3.11 7.94 -0.69 -4.48 117.00 121.00 1if8 n LEU 157 Ca -0.02 0.32 0.05 0.00 -1.11 0.00 0.00 56.01 55.26 1if8 n LEU 157 Cb 0.05 0.12 0.20 0.00 0.53 0.00 0.00 43.42 44.33 1if8 n LEU 157 CO 0.10 0.20 1.07 -0.61 -1.11 0.00 0.00 177.39 177.04 1if8 h GLN 158 N 0.00 0.55 -0.45 1.96 5.75 -1.25 -1.15 115.11 120.53 1if8 h GLN 158 Ca -0.21 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.30 1if8 h GLN 158 Cb 1.66 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 30.06 1if8 h GLN 158 CO 0.04 0.37 0.30 -0.22 -2.65 0.00 0.00 178.83 176.67 1if8 h LYS 159 N 0.57 0.44 -0.06 1.69 3.64 -1.78 -0.59 116.57 120.48 1if8 h LYS 159 Ca 0.43 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.75 1if8 h LYS 159 Cb 0.59 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1if8 h LYS 159 CO -0.36 0.29 -0.10 0.28 -2.27 0.00 0.00 179.45 177.29 1if8 h VAL 160 N 0.45 1.41 -0.80 2.00 2.07 -1.50 -3.30 116.25 116.58 1if8 h VAL 160 Ca 0.19 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.38 1if8 h VAL 160 Cb 0.18 2.19 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 1if8 h VAL 160 CO -0.05 0.38 0.49 0.58 0.02 0.00 0.00 177.57 178.99 1if8 h VAL 161 N -0.32 1.02 -0.99 2.57 2.07 -0.67 -3.07 116.25 116.87 1if8 h VAL 161 Ca 0.00 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 67.30 1if8 h VAL 161 Cb 0.67 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1if8 h VAL 161 CO 0.02 0.16 0.63 0.44 0.02 0.00 0.00 177.57 178.85 1if8 h ASP 162 N 0.89 0.99 0.12 0.57 3.32 -1.22 -2.88 116.42 118.20 1if8 h ASP 162 Ca 0.35 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1if8 h ASP 162 Cb 0.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1if8 h ASP 162 CO -0.18 0.61 -0.04 1.33 -1.72 0.00 0.00 179.24 179.24 1if8 n VAL 163 N -4.54 0.00 -0.05 -1.35 0.24 -1.16 -4.31 118.33 107.16 1if8 n VAL 163 Ca 0.16 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 1if8 n VAL 163 Cb 0.22 -0.01 0.52 0.00 -1.47 0.00 0.00 33.84 33.10 1if8 n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1if8 h LEU 164 N 1.00 0.32 -2.08 1.34 3.38 -1.58 -2.33 115.31 115.35 1if8 h LEU 164 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1if8 h LEU 164 Cb 0.29 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1if8 h LEU 164 CO 0.00 0.19 0.18 0.44 0.09 0.00 0.00 178.44 179.35 1if8 h ASP 165 N 0.35 0.00 0.48 -0.43 3.32 -1.82 -1.37 116.42 116.95 1if8 h ASP 165 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1if8 h ASP 165 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1if8 h ASP 165 CO -0.06 0.00 -0.33 -1.54 -1.72 0.00 0.00 179.24 175.59 1if8 n SER 166 N -4.26 0.56 -2.33 6.45 3.41 -0.88 -3.95 113.62 112.61 1if8 n SER 166 Ca 0.03 -0.36 -0.13 0.00 -0.26 0.00 0.00 58.87 58.15 1if8 n SER 166 Cb 0.33 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.40 1if8 n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1if8 n ILE 167 N -1.22 1.98 -0.13 -1.33 -5.35 -0.54 -4.60 119.36 108.17 1if8 n ILE 167 Ca 0.09 -3.64 0.02 0.00 -0.27 0.00 0.00 62.75 58.94 1if8 n ILE 167 Cb 0.33 -0.10 0.32 0.00 -1.74 0.00 0.00 39.64 38.45 1if8 n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1if8 h LYS 168 N 2.33 0.81 -5.88 6.28 3.64 -1.63 -3.41 116.57 118.71 1if8 h LYS 168 Ca 0.15 -0.05 -0.58 0.00 -1.27 0.00 0.00 60.65 58.90 1if8 h LYS 168 Cb 1.43 -0.18 -0.14 0.00 -0.41 0.00 0.00 32.23 32.93 1if8 h LYS 168 CO 0.51 0.54 -0.70 0.95 -2.27 0.00 0.00 179.45 178.47 1if8 s THR 169 N -5.70 2.13 -0.02 1.00 -4.23 -1.26 -0.44 115.64 107.11 1if8 s THR 169 Ca -0.10 -2.23 -0.37 0.00 -1.18 0.00 0.00 61.69 57.81 1if8 s THR 169 Cb 0.18 -2.49 -0.16 0.00 1.34 0.00 0.00 72.50 71.38 1if8 s THR 169 CO 0.76 -0.29 1.54 1.17 -0.54 0.00 0.00 174.62 177.26 1if8 n LYS 170 N -0.68 1.39 0.00 3.99 4.81 -0.79 -2.19 118.16 124.69 1if8 n LYS 170 Ca -0.05 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1if8 n LYS 170 Cb 0.62 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.48 1if8 n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1if8 n GLY 171 N 3.30 1.01 3.86 3.14 0.00 -0.42 -4.41 105.19 111.67 1if8 n GLY 171 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1if8 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1if8 s LYS 172 N -0.79 3.92 0.19 1.61 1.02 -0.93 -4.91 119.74 119.84 1if8 s LYS 172 Ca 0.00 0.66 -0.08 0.00 0.02 0.00 0.00 55.97 56.56 1if8 s LYS 172 Cb 0.00 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 1if8 s LYS 172 CO 0.00 0.00 0.30 -1.54 -0.92 0.00 0.00 175.35 173.19 1if8 s SER 173 N -2.74 0.04 -0.06 2.83 1.04 -1.26 -1.54 113.70 112.00 1if8 s SER 173 Ca 0.54 -0.98 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 1if8 s SER 173 Cb -0.10 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.51 1if8 s SER 173 CO 0.25 -0.94 0.35 0.00 0.98 0.00 0.00 173.24 173.87 1if8 s ALA 174 N -4.01 -0.87 0.36 5.32 0.00 -0.05 -4.86 121.76 117.64 1if8 s ALA 174 Ca 0.22 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.54 1if8 s ALA 174 Cb 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 23.12 22.86 1if8 s ALA 174 CO 0.04 -0.23 1.36 -0.51 0.00 0.00 0.00 175.76 176.42 1if8 s ASP 175 N -0.74 6.55 -0.44 0.00 1.01 -1.26 -1.11 116.67 120.68 1if8 s ASP 175 Ca -0.08 2.79 0.05 0.00 0.71 0.00 0.00 52.55 56.02 1if8 s ASP 175 Cb -0.04 -2.65 0.18 0.00 1.01 0.00 0.00 42.92 41.42 1if8 s ASP 175 CO 0.03 -0.70 0.48 0.33 0.21 0.00 0.00 175.17 175.52 1if8 n PHE 176 N 0.56 -1.82 -3.56 4.23 7.35 0.54 -4.74 117.46 120.01 1if8 n PHE 176 Ca 0.01 -2.71 -0.20 0.00 -0.76 0.00 0.00 57.45 53.79 1if8 n PHE 176 Cb 0.41 0.62 -0.01 0.00 0.35 0.00 0.00 39.48 40.86 1if8 n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1if8 s THR 177 N 0.24 4.51 -1.42 -2.13 -4.23 -1.25 -2.68 115.64 108.67 1if8 s THR 177 Ca 0.32 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 1if8 s THR 177 Cb 0.04 -3.59 0.01 0.00 1.34 0.00 0.00 72.50 70.30 1if8 s THR 177 CO -0.15 -0.26 1.03 0.59 -0.54 0.00 0.00 174.62 175.28 1if8 n ASN 178 N -1.63 -6.31 -4.72 3.99 4.13 -1.26 -4.95 115.26 104.51 1if8 n ASN 178 Ca -0.03 -0.48 -0.35 0.00 1.68 0.00 0.00 54.58 55.40 1if8 n ASN 178 Cb 0.58 -5.00 -0.08 0.00 -1.54 0.00 0.00 39.78 33.73 1if8 n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1if8 s PHE 179 N -3.28 3.39 -0.29 3.10 5.36 -1.26 -5.02 117.98 119.97 1if8 s PHE 179 Ca 0.51 0.31 -0.16 0.00 -0.96 0.00 0.00 56.93 56.64 1if8 s PHE 179 Cb -0.23 -2.18 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1if8 s PHE 179 CO 0.63 0.25 0.40 0.34 -1.46 0.00 0.00 175.22 175.38 1if8 s ASP 180 N 0.50 6.26 0.38 6.13 -1.08 -1.26 -4.48 116.67 123.12 1if8 s ASP 180 Ca 0.08 0.16 0.17 0.00 -0.52 0.00 0.00 52.55 52.43 1if8 s ASP 180 Cb -0.11 -2.22 0.75 0.00 -1.46 0.00 0.00 42.92 39.87 1if8 s ASP 180 CO -0.01 -0.26 1.79 -0.65 0.52 0.00 0.00 175.17 176.56 1if8 h PRO 181 N 8.26 0.00 0.00 4.34 0.11 -1.94 -3.13 132.00 139.64 1if8 h PRO 181 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1if8 h PRO 181 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1if8 h PRO 181 CO 0.68 0.38 0.15 0.54 -0.21 0.00 0.00 178.00 179.53 1if8 n ARG 182 N -3.78 0.11 0.00 1.05 1.74 -1.26 -0.85 116.66 113.67 1if8 n ARG 182 Ca -0.01 0.59 0.15 0.00 -0.77 0.00 0.00 57.85 57.80 1if8 n ARG 182 Cb 0.45 -2.00 0.72 0.00 -1.02 0.00 0.00 32.46 30.61 1if8 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1if8 n GLY 183 N -1.29 -1.15 0.85 -0.13 0.00 -1.18 -3.57 105.19 98.71 1if8 n GLY 183 Ca -0.01 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.89 1if8 n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1if8 n LEU 184 N -1.15 3.47 -4.87 0.99 4.77 -0.03 -4.31 117.00 115.87 1if8 n LEU 184 Ca 0.15 -2.37 -0.37 0.00 -0.03 0.00 0.00 56.01 53.39 1if8 n LEU 184 Cb 0.25 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1if8 n LEU 184 CO 0.23 0.73 -0.14 -0.76 -1.33 0.00 0.00 177.39 176.12 1if8 s LEU 185 N -1.67 4.39 0.93 2.23 1.43 -1.23 -4.99 118.68 119.77 1if8 s LEU 185 Ca 0.33 0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 53.82 1if8 s LEU 185 Cb 0.22 -2.13 0.15 0.00 0.03 0.00 0.00 46.19 44.45 1if8 s LEU 185 CO 0.15 0.39 1.14 -2.16 0.23 0.00 0.00 176.35 176.10 1if8 s PRO 186 N -0.98 1.01 0.09 1.29 0.04 -1.26 -4.98 135.00 130.21 1if8 s PRO 186 Ca 0.16 0.25 -0.25 0.00 0.04 0.00 0.00 61.00 61.20 1if8 s PRO 186 Cb -0.13 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1if8 s PRO 186 CO 0.05 -2.28 1.71 0.93 0.04 0.00 0.00 177.00 177.46 1if8 h GLU 187 N -1.55 -0.18 -6.41 4.56 5.08 -1.93 -3.44 114.58 110.71 1if8 h GLU 187 Ca -0.50 0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.33 1if8 h GLU 187 Cb 1.33 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1if8 h GLU 187 CO 0.60 -0.12 -0.08 0.45 -1.00 0.00 0.00 179.01 178.85 1if8 s SER 188 N -5.02 6.73 -0.24 1.42 0.15 -1.26 -5.02 113.70 110.45 1if8 s SER 188 Ca -0.14 1.02 0.13 0.00 0.70 0.00 0.00 55.95 57.66 1if8 s SER 188 Cb 0.06 -2.26 0.57 0.00 -1.71 0.00 0.00 66.02 62.67 1if8 s SER 188 CO 0.65 -0.01 1.51 0.18 1.20 0.00 0.00 173.24 176.78 1if8 n LEU 189 N 0.26 4.41 -4.77 3.45 4.77 -1.26 -4.74 117.00 119.11 1if8 n LEU 189 Ca -0.02 -3.24 -0.39 0.00 -0.03 0.00 0.00 56.01 52.33 1if8 n LEU 189 Cb 0.52 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1if8 n LEU 189 CO 0.44 0.84 0.91 -1.81 -1.33 0.00 0.00 177.39 176.44 1if8 s ASP 190 N -1.89 6.55 0.20 -1.43 1.01 -1.26 -4.75 116.67 115.10 1if8 s ASP 190 Ca 0.46 2.53 -0.10 0.00 0.71 0.00 0.00 52.55 56.15 1if8 s ASP 190 Cb 0.38 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1if8 s ASP 190 CO 0.08 -0.67 0.35 -0.72 0.21 0.00 0.00 175.17 174.42 1if8 s TYR 191 N -1.28 0.43 0.21 4.23 -0.85 -1.26 -0.63 117.35 118.20 1if8 s TYR 191 Ca 0.54 -0.78 0.09 0.00 -0.52 0.00 0.00 57.07 56.40 1if8 s TYR 191 Cb -0.36 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 1if8 s TYR 191 CO 0.46 -0.82 -0.04 -1.58 -1.52 0.00 0.00 175.55 172.05 1if8 s TRP 192 N -4.00 2.70 -0.05 -3.49 0.51 -0.70 -1.71 118.94 112.20 1if8 s TRP 192 Ca 0.21 -0.20 -0.10 0.00 -2.12 0.00 0.00 56.10 53.88 1if8 s TRP 192 Cb 0.02 -1.27 0.02 0.00 -0.81 0.00 0.00 33.47 31.43 1if8 s TRP 192 CO 0.04 0.56 0.25 -0.08 -0.51 0.00 0.00 176.95 177.21 1if8 s THR 193 N -1.95 0.03 0.07 2.01 -1.32 -0.05 -1.81 115.64 112.64 1if8 s THR 193 Ca 0.28 -0.29 -0.26 0.00 -1.21 0.00 0.00 61.69 60.21 1if8 s THR 193 Cb -0.08 -0.45 0.08 0.00 -1.51 0.00 0.00 72.50 70.54 1if8 s THR 193 CO 0.18 -0.16 0.70 -0.72 -2.21 0.00 0.00 174.62 172.41 1if8 s TYR 194 N -0.61 -0.50 -0.14 9.09 1.13 -1.04 -1.63 117.35 123.64 1if8 s TYR 194 Ca -0.07 0.43 -0.23 0.00 -1.41 0.00 0.00 57.07 55.79 1if8 s TYR 194 Cb -0.04 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1if8 s TYR 194 CO 0.02 -0.71 0.71 -1.25 -2.51 0.00 0.00 175.55 171.81 1if8 s PRO 195 N -3.07 4.32 0.00 -3.49 0.04 -1.26 -0.86 135.00 130.67 1if8 s PRO 195 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1if8 s PRO 195 Cb -0.01 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1if8 s PRO 195 CO -0.08 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1if8 n GLY 196 N 3.44 5.06 3.29 0.56 0.00 0.18 -4.81 105.19 112.91 1if8 n GLY 196 Ca 0.00 -0.85 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 1if8 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1if8 n SER 197 N 0.00 -0.80 -4.78 1.61 3.41 -1.04 -2.50 113.62 109.52 1if8 n SER 197 Ca 0.00 -3.20 -0.36 0.00 -0.26 0.00 0.00 58.87 55.05 1if8 n SER 197 Cb 0.00 1.81 -0.01 0.00 -0.26 0.00 0.00 64.21 65.75 1if8 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1if8 s LEU 198 N 0.00 3.93 0.00 1.04 1.43 -0.96 -4.45 118.68 119.68 1if8 s LEU 198 Ca 0.39 2.21 0.17 0.00 -1.03 0.00 0.00 54.13 55.87 1if8 s LEU 198 Cb 0.02 -4.37 0.49 0.00 0.03 0.00 0.00 46.19 42.36 1if8 s LEU 198 CO 0.28 -0.95 1.40 0.35 0.23 0.00 0.00 176.35 177.66 1if8 n THR 199 N -0.73 0.56 -4.13 5.49 -2.24 -1.26 -4.55 114.28 107.42 1if8 n THR 199 Ca 0.09 -0.62 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1if8 n THR 199 Cb 0.49 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 1if8 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1if8 s THR 200 N -1.44 0.56 0.49 4.28 -4.23 -1.26 -4.69 115.64 109.35 1if8 s THR 200 Ca 0.34 -1.74 -0.22 0.00 -1.18 0.00 0.00 61.69 58.89 1if8 s THR 200 Cb 0.18 -1.43 -0.09 0.00 1.34 0.00 0.00 72.50 72.51 1if8 s THR 200 CO 0.24 -0.80 0.94 -2.65 -0.54 0.00 0.00 174.62 171.81 1if8 n PRO 201 N 0.29 1.13 0.00 3.99 -0.02 -1.26 -0.26 135.00 138.87 1if8 n PRO 201 Ca -0.15 0.42 0.07 0.00 -2.02 0.00 0.00 63.50 61.82 1if8 n PRO 201 Cb 0.60 -2.04 0.39 0.00 -0.02 0.00 0.00 33.50 32.42 1if8 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1if8 n PRO 202 N -0.21 0.37 -2.87 0.52 -0.02 -1.26 -4.99 135.00 126.54 1if8 n PRO 202 Ca 0.11 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.42 1if8 n PRO 202 Cb 0.42 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 1if8 n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1if8 n LEU 203 N -1.07 -2.11 -4.75 2.45 4.77 0.64 -4.91 117.00 112.02 1if8 n LEU 203 Ca 0.09 -0.18 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 1if8 n LEU 203 Cb 0.06 -2.71 -0.02 0.00 -2.33 0.00 0.00 43.42 38.42 1if8 n LEU 203 CO 0.08 0.07 1.13 -0.76 -1.33 0.00 0.00 177.39 176.58 1if8 s LEU 204 N -6.37 4.38 -1.32 2.23 1.43 -1.26 -4.56 118.68 113.20 1if8 s LEU 204 Ca 0.21 2.75 -0.10 0.00 -1.03 0.00 0.00 54.13 55.96 1if8 s LEU 204 Cb -0.10 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.63 1if8 s LEU 204 CO 0.26 -0.75 2.02 -0.62 0.23 0.00 0.00 176.35 177.49 1if8 n GLU 205 N 2.15 3.63 -0.11 1.70 1.02 -1.26 -2.26 120.64 125.51 1if8 n GLU 205 Ca 0.06 -3.35 0.06 0.00 -0.02 0.00 0.00 57.16 53.91 1if8 n GLU 205 Cb 0.40 -2.94 0.08 0.00 -0.02 0.00 0.00 31.44 28.96 1if8 n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1if8 s VAL 207 N -1.85 3.18 -0.35 0.00 1.01 -1.04 -1.03 120.40 120.33 1if8 s VAL 207 Ca 0.18 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1if8 s VAL 207 Cb 0.16 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1if8 s VAL 207 CO 0.02 0.56 0.23 -0.89 0.00 0.00 0.00 175.10 175.02 1if8 s THR 208 N -0.31 5.07 -0.04 3.92 2.01 -0.86 0.50 115.64 125.93 1if8 s THR 208 Ca 0.03 -0.38 -0.20 0.00 0.31 0.00 0.00 61.69 61.45 1if8 s THR 208 Cb -0.13 -3.65 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1if8 s THR 208 CO 0.03 -0.06 0.56 0.26 -0.69 0.00 0.00 174.62 174.72 1if8 s TRP 209 N 1.68 3.64 -0.32 4.92 0.52 -0.04 -2.79 118.94 126.55 1if8 s TRP 209 Ca 0.05 1.11 0.01 0.00 0.02 0.00 0.00 56.10 57.29 1if8 s TRP 209 Cb -0.18 -2.58 0.10 0.00 -1.15 0.00 0.00 33.47 29.66 1if8 s TRP 209 CO 0.09 0.32 0.07 0.42 0.02 0.00 0.00 176.95 177.87 1if8 s ILE 210 N -0.01 1.39 -0.29 2.03 1.01 -1.00 -2.51 121.20 121.83 1if8 s ILE 210 Ca 0.30 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 1if8 s ILE 210 Cb -0.17 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1if8 s ILE 210 CO 0.15 -0.62 0.20 -0.69 0.00 0.00 0.00 174.94 173.98 1if8 s VAL 211 N 1.36 5.26 0.26 2.92 1.01 -0.75 -1.03 120.40 129.43 1if8 s VAL 211 Ca 0.09 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 1if8 s VAL 211 Cb -0.18 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 1if8 s VAL 211 CO -0.18 0.20 1.32 -0.76 0.00 0.00 0.00 175.10 175.68 1if8 s LEU 212 N 1.75 4.42 0.10 3.92 1.43 -0.47 -1.71 118.68 128.12 1if8 s LEU 212 Ca 0.07 2.54 -0.15 0.00 -1.03 0.00 0.00 54.13 55.55 1if8 s LEU 212 Cb -0.16 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 1if8 s LEU 212 CO 0.11 -0.54 1.46 0.50 0.23 0.00 0.00 176.35 178.10 1if8 h LYS 213 N 4.59 0.68 -5.72 1.70 3.64 -1.22 -3.44 116.57 116.81 1if8 h LYS 213 Ca -0.46 -0.31 -0.60 0.00 -1.27 0.00 0.00 60.65 58.00 1if8 h LYS 213 Cb 1.22 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.93 1if8 h LYS 213 CO 0.73 0.91 0.35 -2.00 -2.27 0.00 0.00 179.45 177.18 1if8 s GLU 214 N -4.54 4.18 0.63 1.90 2.12 -1.26 -5.04 118.70 116.69 1if8 s GLU 214 Ca -0.13 0.82 -0.07 0.00 0.36 0.00 0.00 54.97 55.95 1if8 s GLU 214 Cb 0.09 -3.63 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1if8 s GLU 214 CO 0.81 -0.45 0.96 -1.25 -0.54 0.00 0.00 175.26 174.80 1if8 s PRO 215 N 2.61 2.86 0.12 4.30 0.04 -1.26 -4.72 135.00 138.94 1if8 s PRO 215 Ca 0.32 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.50 1if8 s PRO 215 Cb -0.15 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 1if8 s PRO 215 CO 0.08 -0.83 0.17 0.96 0.04 0.00 0.00 177.00 177.42 1if8 s ILE 216 N -3.11 4.84 -0.10 0.56 -4.36 -0.24 -4.91 121.20 113.89 1if8 s ILE 216 Ca 0.55 -0.79 -0.09 0.00 -0.26 0.00 0.00 60.65 60.06 1if8 s ILE 216 Cb -0.11 -3.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.14 1if8 s ILE 216 CO 0.47 0.00 0.21 -0.44 0.24 0.00 0.00 174.94 175.42 1if8 s SER 217 N -2.83 6.47 0.05 4.36 0.01 -1.26 -1.34 113.70 119.15 1if8 s SER 217 Ca 0.32 0.56 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1if8 s SER 217 Cb -0.11 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1if8 s SER 217 CO 0.25 0.36 -0.04 0.68 0.41 0.00 0.00 173.24 174.89 1if8 s VAL 218 N -0.84 0.32 0.62 3.43 -7.23 -0.76 -3.67 120.40 112.27 1if8 s VAL 218 Ca 0.16 -1.42 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 1if8 s VAL 218 Cb -0.13 -0.99 0.01 0.00 0.56 0.00 0.00 36.38 35.83 1if8 s VAL 218 CO 0.06 -0.71 0.95 -0.94 -0.31 0.00 0.00 175.10 174.14 1if8 s SER 219 N -2.24 5.54 0.35 4.85 1.04 -1.17 -0.30 113.70 121.77 1if8 s SER 219 Ca -0.02 0.79 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1if8 s SER 219 Cb -0.01 -1.73 0.64 0.00 0.10 0.00 0.00 66.02 65.02 1if8 s SER 219 CO -0.04 -1.14 1.99 -1.28 0.98 0.00 0.00 173.24 173.75 1if8 h SER 220 N -0.29 0.74 -0.38 7.02 0.87 -1.94 -1.87 113.55 117.71 1if8 h SER 220 Ca -0.45 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 59.98 1if8 h SER 220 Cb 1.26 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1if8 h SER 220 CO 0.61 0.52 -0.21 -0.33 -0.53 0.00 0.00 176.83 176.89 1if8 h GLU 221 N 0.86 0.81 0.02 2.24 3.07 -1.96 -1.01 114.58 118.62 1if8 h GLU 221 Ca 0.26 -0.37 -0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1if8 h GLU 221 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1if8 h GLU 221 CO -0.07 1.00 -0.01 1.96 -1.40 0.00 0.00 179.01 180.49 1if8 h GLN 222 N 0.61 -0.03 -0.26 2.33 4.20 -1.76 -2.67 115.11 117.53 1if8 h GLN 222 Ca 0.08 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1if8 h GLN 222 Cb 0.77 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1if8 h GLN 222 CO 0.06 0.09 -0.34 0.28 -0.67 0.00 0.00 178.83 178.25 1if8 h VAL 223 N -0.14 1.29 -0.66 -0.54 2.07 -1.39 -2.86 116.25 114.02 1if8 h VAL 223 Ca -0.00 -1.46 0.11 0.00 0.82 0.00 0.00 66.70 66.17 1if8 h VAL 223 Cb 0.13 1.46 -0.08 0.00 -1.52 0.00 0.00 31.29 31.28 1if8 h VAL 223 CO 0.00 0.46 0.23 0.25 0.02 0.00 0.00 177.57 178.54 1if8 h LEU 224 N 0.47 0.20 -1.34 2.57 5.85 -1.11 -1.66 115.31 120.30 1if8 h LEU 224 Ca 0.05 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1if8 h LEU 224 Cb 0.82 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1if8 h LEU 224 CO 0.07 0.10 0.50 0.50 -0.34 0.00 0.00 178.44 179.26 1if8 h LYS 225 N 0.39 0.78 -0.81 1.25 1.63 -1.24 -1.31 116.57 117.25 1if8 h LYS 225 Ca 0.34 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1if8 h LYS 225 Cb 0.47 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1if8 h LYS 225 CO -0.36 0.51 0.43 0.74 -3.45 0.00 0.00 179.45 177.32 1if8 h PHE 226 N 0.80 1.14 0.00 1.91 -1.00 -1.34 -2.91 116.94 115.54 1if8 h PHE 226 Ca 0.33 -0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.07 1if8 h PHE 226 Cb 0.25 -0.36 0.00 0.00 3.61 0.00 0.00 35.95 39.46 1if8 h PHE 226 CO -0.00 0.80 0.00 0.54 -1.61 0.00 0.00 178.31 178.04 1if8 n ARG 227 N -4.38 0.11 -0.54 1.51 1.74 -0.50 -2.92 116.66 111.68 1if8 n ARG 227 Ca 0.08 0.21 0.10 0.00 -0.77 0.00 0.00 57.85 57.47 1if8 n ARG 227 Cb 0.11 -1.50 0.34 0.00 -1.02 0.00 0.00 32.46 30.39 1if8 n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1if8 n LYS 228 N -1.37 3.38 -2.54 5.56 5.02 -1.10 -4.45 118.16 122.65 1if8 n LYS 228 Ca 0.05 -2.70 -0.26 0.00 -2.02 0.00 0.00 58.31 53.37 1if8 n LYS 228 Cb 0.12 -1.79 0.02 0.00 -0.02 0.00 0.00 35.03 33.36 1if8 n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1if8 s LEU 229 N -1.58 3.40 -0.02 -0.35 1.43 -1.15 -4.94 118.68 115.48 1if8 s LEU 229 Ca 0.49 0.72 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 1if8 s LEU 229 Cb 0.30 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.91 1if8 s LEU 229 CO 0.26 -0.88 -0.23 0.20 0.23 0.00 0.00 176.35 175.93 1if8 s ASN 230 N -4.24 3.33 0.16 2.29 0.02 0.42 -0.11 114.94 116.81 1if8 s ASN 230 Ca 0.51 -0.42 0.02 0.00 -1.02 0.00 0.00 52.86 51.96 1if8 s ASN 230 Cb -0.10 -0.46 -0.00 0.00 0.02 0.00 0.00 41.25 40.70 1if8 s ASN 230 CO 0.44 0.32 1.38 -0.26 0.02 0.00 0.00 177.10 179.00 1if8 h PHE 231 N 5.32 0.30 -3.95 2.20 0.04 -1.46 -3.34 116.94 116.05 1if8 h PHE 231 Ca -0.44 -0.16 -0.46 0.00 2.80 0.00 0.00 57.97 59.70 1if8 h PHE 231 Cb 1.13 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.23 1if8 h PHE 231 CO 0.43 0.97 0.29 0.54 -0.60 0.00 0.00 178.31 179.94 1if8 s ASN 232 N -6.93 6.99 1.02 2.17 4.22 -1.26 -4.45 114.94 116.71 1if8 s ASN 232 Ca -0.03 1.63 -0.17 0.00 -2.14 0.00 0.00 52.86 52.16 1if8 s ASN 232 Cb 0.10 -2.51 0.22 0.00 1.28 0.00 0.00 41.25 40.34 1if8 s ASN 232 CO 0.83 -0.26 1.26 -0.83 -2.04 0.00 0.00 177.10 176.06 1if8 s GLY 233 N -2.06 1.72 0.49 0.45 0.00 -1.26 -1.88 107.32 104.77 1if8 s GLY 233 Ca 0.57 -1.10 -0.23 0.00 0.00 0.00 0.00 44.72 43.97 1if8 s GLY 233 CO 0.16 -0.31 1.30 1.85 0.00 0.00 0.00 173.10 176.10 1if8 s GLU 234 N -5.74 3.49 0.00 2.90 2.12 -1.26 -2.96 118.70 117.25 1if8 s GLU 234 Ca 0.73 2.10 0.00 0.00 0.36 0.00 0.00 54.97 58.16 1if8 s GLU 234 Cb -0.06 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.92 1if8 s GLU 234 CO 0.54 -0.87 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 1if8 n GLY 235 N 0.62 2.10 3.99 -1.50 0.00 -1.26 -5.01 105.19 104.13 1if8 n GLY 235 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1if8 n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1if8 s GLU 236 N -0.03 2.64 0.71 1.61 2.02 -1.16 -5.07 118.70 119.43 1if8 s GLU 236 Ca 0.00 -1.06 -0.15 0.00 0.02 0.00 0.00 54.97 53.78 1if8 s GLU 236 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.64 1if8 s GLU 236 CO 0.00 -0.53 1.21 -2.14 0.02 0.00 0.00 175.26 173.82 1if8 s PRO 237 N -4.57 2.25 -0.08 0.39 0.02 -1.26 -4.94 135.00 126.80 1if8 s PRO 237 Ca 0.57 1.78 -0.25 0.00 0.02 0.00 0.00 61.00 63.12 1if8 s PRO 237 Cb -0.10 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1if8 s PRO 237 CO 0.36 -1.76 0.78 -2.00 -0.33 0.00 0.00 177.00 174.05 1if8 s GLU 238 N -3.83 4.42 -0.25 5.54 2.12 -1.26 -4.74 118.70 120.70 1if8 s GLU 238 Ca 0.75 1.00 -0.02 0.00 0.36 0.00 0.00 54.97 57.06 1if8 s GLU 238 Cb -0.30 -3.48 0.08 0.00 0.26 0.00 0.00 34.13 30.69 1if8 s GLU 238 CO 0.44 -0.05 0.08 -2.00 -0.54 0.00 0.00 175.26 173.18 1if8 s GLU 239 N 1.17 0.57 0.30 4.30 2.12 -1.26 -5.07 118.70 120.83 1if8 s GLU 239 Ca 0.40 -0.66 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 1if8 s GLU 239 Cb -0.18 -1.88 -0.13 0.00 0.26 0.00 0.00 34.13 32.19 1if8 s GLU 239 CO 0.18 -0.83 1.23 1.28 -0.54 0.00 0.00 175.26 176.59 1if8 n LEU 240 N 5.02 2.93 -4.49 2.70 7.99 -1.26 -1.31 117.00 128.58 1if8 n LEU 240 Ca -0.06 1.19 -0.43 0.00 -0.01 0.00 0.00 56.01 56.70 1if8 n LEU 240 Cb 0.44 -1.41 -0.03 0.00 -0.11 0.00 0.00 43.42 42.31 1if8 n LEU 240 CO 0.11 -0.75 1.08 -0.32 -1.51 0.00 0.00 177.39 175.99 1if8 s MET 241 N -1.45 3.45 0.04 3.23 -2.45 0.85 -4.64 119.30 118.33 1if8 s MET 241 Ca 0.59 -1.25 -0.03 0.00 -1.25 0.00 0.00 55.69 53.75 1if8 s MET 241 Cb -0.63 -4.82 -0.02 0.00 1.25 0.00 0.00 34.83 30.61 1if8 s MET 241 CO 0.59 -1.93 0.04 0.14 1.05 0.00 0.00 175.02 174.90 1if8 s VAL 242 N 3.88 0.16 -1.37 10.11 -7.23 -1.26 -4.55 120.40 120.13 1if8 s VAL 242 Ca 0.34 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.11 1if8 s VAL 242 Cb -0.06 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1if8 s VAL 242 CO -0.03 -0.73 1.08 0.47 -0.31 0.00 0.00 175.10 175.58 1if8 n ASP 243 N 0.62 -5.01 -3.36 4.85 8.00 0.07 -4.87 116.55 116.85 1if8 n ASP 243 Ca -0.18 -0.62 -0.38 0.00 0.71 0.00 0.00 54.79 54.31 1if8 n ASP 243 Cb 0.59 -4.74 -0.02 0.00 -0.02 0.00 0.00 41.12 36.94 1if8 n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1if8 n ASN 244 N -3.00 8.05 -4.05 -2.24 6.94 -1.13 -4.90 115.26 114.93 1if8 n ASN 244 Ca -0.05 -3.03 -0.13 0.00 -0.02 0.00 0.00 54.58 51.35 1if8 n ASN 244 Cb 0.58 -1.39 -0.12 0.00 -2.36 0.00 0.00 39.78 36.49 1if8 n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1if8 s TRP 245 N -0.54 0.63 -0.05 -2.53 1.48 -1.26 -4.56 118.94 112.12 1if8 s TRP 245 Ca 0.58 -0.47 -0.11 0.00 -1.06 0.00 0.00 56.10 55.03 1if8 s TRP 245 Cb 0.20 -0.38 -0.05 0.00 -1.16 0.00 0.00 33.47 32.08 1if8 s TRP 245 CO -0.10 -0.08 0.28 0.50 -4.06 0.00 0.00 176.95 173.49 1if8 s ARG 246 N -1.48 3.68 0.70 3.25 3.52 -1.26 -4.97 118.95 122.39 1if8 s ARG 246 Ca -0.10 0.14 -0.14 0.00 -0.13 0.00 0.00 55.73 55.51 1if8 s ARG 246 Cb -0.09 -3.19 0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1if8 s ARG 246 CO 0.00 0.73 1.12 -1.25 -0.81 0.00 0.00 175.30 175.09 1if8 s PRO 247 N -1.12 2.52 0.27 5.12 0.04 -1.26 -4.72 135.00 135.86 1if8 s PRO 247 Ca 0.20 1.42 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 1if8 s PRO 247 Cb -0.14 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1if8 s PRO 247 CO 0.10 -1.47 1.57 0.00 0.04 0.00 0.00 177.00 177.24 1if8 n ALA 248 N -2.74 2.29 -2.88 8.56 0.00 -1.26 -4.40 120.51 120.08 1if8 n ALA 248 Ca 0.11 0.38 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 1if8 n ALA 248 Cb 0.52 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.49 1if8 n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1if8 s GLN 249 N -0.31 3.27 0.34 0.00 -1.52 0.18 -4.96 119.66 116.66 1if8 s GLN 249 Ca 0.66 -0.59 -0.29 0.00 -1.95 0.00 0.00 55.36 53.20 1if8 s GLN 249 Cb -0.53 -2.91 -0.11 0.00 -0.22 0.00 0.00 33.01 29.25 1if8 s GLN 249 CO 0.47 0.56 1.43 -1.25 -0.25 0.00 0.00 175.29 176.25 1if8 s PRO 250 N -2.77 4.21 0.49 2.91 0.04 -1.26 -4.52 135.00 134.10 1if8 s PRO 250 Ca 0.33 2.42 0.25 0.00 0.04 0.00 0.00 61.00 64.04 1if8 s PRO 250 Cb -0.12 -3.02 1.26 0.00 0.04 0.00 0.00 34.50 32.66 1if8 s PRO 250 CO 0.26 -0.41 2.00 1.25 0.04 0.00 0.00 177.00 180.14 1if8 h LEU 251 N 3.50 0.00 0.00 -3.56 5.85 -1.94 -3.45 115.31 115.71 1if8 h LEU 251 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1if8 h LEU 251 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1if8 h LEU 251 CO 0.67 0.17 0.00 0.29 -0.34 0.00 0.00 178.44 179.23 1if8 n LYS 252 N -3.66 0.00 -3.20 1.25 4.76 -1.26 -3.15 118.16 112.91 1if8 n LYS 252 Ca -0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.09 1if8 n LYS 252 Cb 0.29 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.44 1if8 n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1if8 n ASN 253 N 5.81 4.95 -4.18 4.39 3.02 -1.26 -4.98 115.26 123.01 1if8 n ASN 253 Ca 0.00 -3.47 -0.12 0.00 -0.03 0.00 0.00 54.58 50.96 1if8 n ASN 253 Cb 0.00 -0.90 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 1if8 n ASN 253 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1if8 s ARG 254 N -2.78 0.87 -0.03 3.52 0.52 -1.19 -5.13 118.95 114.73 1if8 s ARG 254 Ca 0.38 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.31 1if8 s ARG 254 Cb 0.13 -0.32 -0.00 0.00 0.52 0.00 0.00 34.95 35.27 1if8 s ARG 254 CO 0.02 0.01 -0.15 -1.14 0.02 0.00 0.00 175.30 174.06 1if8 s GLN 255 N -3.63 1.40 -0.18 3.54 0.74 -1.26 -5.05 119.66 115.23 1if8 s GLN 255 Ca 0.11 -0.52 -0.19 0.00 0.05 0.00 0.00 55.36 54.81 1if8 s GLN 255 Cb 0.03 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.84 1if8 s GLN 255 CO -0.03 0.24 0.55 0.42 -0.55 0.00 0.00 175.29 175.93 1if8 s ILE 256 N -0.07 5.09 -0.13 -2.34 1.01 -1.26 -4.71 121.20 118.79 1if8 s ILE 256 Ca -0.00 1.04 -0.04 0.00 0.00 0.00 0.00 60.65 61.65 1if8 s ILE 256 Cb -0.09 -3.88 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1if8 s ILE 256 CO 0.01 0.19 0.00 -0.54 0.00 0.00 0.00 174.94 174.59 1if8 s LYS 257 N 1.51 3.44 0.02 2.79 1.02 -0.65 -0.96 119.74 126.91 1if8 s LYS 257 Ca 0.26 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.83 1if8 s LYS 257 Cb -0.16 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1if8 s LYS 257 CO 0.10 0.45 0.06 0.00 -0.92 0.00 0.00 175.35 175.05 1if8 s ALA 258 N -0.19 3.51 -2.57 5.17 0.00 -0.36 -0.87 121.76 126.45 1if8 s ALA 258 Ca 0.05 -0.94 0.26 0.00 0.00 0.00 0.00 51.96 51.34 1if8 s ALA 258 Cb -0.12 -1.48 0.82 0.00 0.00 0.00 0.00 23.12 22.34 1if8 s ALA 258 CO 0.02 0.70 1.61 -1.13 0.00 0.00 0.00 175.76 176.96 1if8 n SER 259 N 1.01 1.88 -4.20 0.00 3.41 -0.69 -1.63 113.62 113.39 1if8 n SER 259 Ca -0.12 -1.64 -0.12 0.00 -0.26 0.00 0.00 58.87 56.73 1if8 n SER 259 Cb 0.52 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 1if8 n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1if8 s PHE 260 N -1.96 1.03 -2.91 7.33 -0.71 -1.26 -4.94 117.98 114.57 1if8 s PHE 260 Ca 0.35 -0.86 0.25 0.00 -1.04 0.00 0.00 56.93 55.64 1if8 s PHE 260 Cb 0.20 -0.56 0.35 0.00 -1.21 0.00 0.00 43.02 41.80 1if8 s PHE 260 CO 0.32 -0.06 1.35 1.17 -1.34 0.00 0.00 175.22 176.66