#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 n PRO 2 N 0.00 -0.41 -4.18 0.03 -0.04 -1.26 -5.10 135.00 124.04 1ji8 n PRO 2 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1ji8 n PRO 2 Cb 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.37 1ji8 n PRO 2 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ji8 s VAL 3 N -0.83 0.00 -0.24 0.52 -7.23 -1.26 -5.14 120.40 106.22 1ji8 s VAL 3 Ca 0.00 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1ji8 s VAL 3 Cb 0.00 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.53 1ji8 s VAL 3 CO 0.00 0.00 -0.06 -0.54 -0.31 0.00 0.00 175.10 174.19 1ji8 s LYS 4 N -4.11 1.75 0.36 4.82 1.02 -1.26 -5.12 119.74 117.20 1ji8 s LYS 4 Ca 0.37 -1.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1ji8 s LYS 4 Cb 0.06 -2.67 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1ji8 s LYS 4 CO 0.12 -0.61 0.79 0.00 -0.92 0.00 0.00 175.35 174.74 1ji8 s PRO 6 N -3.12 2.69 -0.21 0.00 0.04 -1.26 -4.74 135.00 128.40 1ji8 s PRO 6 Ca 0.56 0.76 -0.34 0.00 0.04 0.00 0.00 61.00 62.02 1ji8 s PRO 6 Cb -0.10 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 32.61 1ji8 s PRO 6 CO 0.18 -1.22 1.22 0.20 0.04 0.00 0.00 177.00 177.41 1ji8 s GLY 7 N -3.94 -0.23 -0.19 0.56 0.00 -0.52 -4.99 107.32 98.00 1ji8 s GLY 7 Ca 0.59 1.83 -0.09 0.00 0.00 0.00 0.00 44.72 47.04 1ji8 s GLY 7 CO 0.54 0.66 0.13 1.85 0.00 0.00 0.00 173.10 176.28 1ji8 s GLU 8 N -2.09 4.06 0.02 2.90 2.12 -1.26 -1.68 118.70 122.76 1ji8 s GLU 8 Ca 0.09 -0.21 0.02 0.00 0.36 0.00 0.00 54.97 55.22 1ji8 s GLU 8 Cb -0.01 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 1ji8 s GLU 8 CO -0.05 0.38 -0.06 0.71 -0.54 0.00 0.00 175.26 175.71 1ji8 s TYR 9 N 0.13 0.50 -0.16 5.30 2.02 -0.75 -5.02 117.35 119.37 1ji8 s TYR 9 Ca 0.09 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.50 1ji8 s TYR 9 Cb -0.11 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 1ji8 s TYR 9 CO -0.01 -0.05 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.69 1ji8 s GLN 10 N -0.77 3.43 -0.59 -0.62 0.74 -1.26 -1.10 119.66 119.49 1ji8 s GLN 10 Ca -0.04 -0.64 -0.07 0.00 0.05 0.00 0.00 55.36 54.66 1ji8 s GLN 10 Cb -0.05 -2.79 0.15 0.00 1.10 0.00 0.00 33.01 31.42 1ji8 s GLN 10 CO -0.00 0.10 0.44 0.08 -0.55 0.00 0.00 175.29 175.35 1ji8 s VAL 11 N 0.69 4.14 -0.68 1.34 1.01 -0.47 -4.76 120.40 121.67 1ji8 s VAL 11 Ca -0.05 -2.40 -0.02 0.00 0.00 0.00 0.00 61.98 59.51 1ji8 s VAL 11 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1ji8 s VAL 11 CO 0.02 -0.85 0.67 -0.67 0.00 0.00 0.00 175.10 174.27 1ji8 n ASP 12 N 4.15 -7.68 -0.69 3.32 2.03 -1.26 -2.46 116.55 113.96 1ji8 n ASP 12 Ca 0.03 0.02 -0.09 0.00 0.52 0.00 0.00 54.79 55.27 1ji8 n ASP 12 Cb 0.41 -5.22 -0.04 0.00 -0.72 0.00 0.00 41.12 35.55 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ji8 n GLY 13 N -1.54 0.82 3.70 0.27 0.00 -1.26 -4.94 105.19 102.25 1ji8 n GLY 13 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1ji8 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ji8 s LYS 14 N -2.67 2.57 -0.12 1.61 -0.14 -1.03 -5.11 119.74 114.85 1ji8 s LYS 14 Ca 0.00 -0.92 -0.03 0.00 -1.36 0.00 0.00 55.97 53.65 1ji8 s LYS 14 Cb 0.00 -2.51 -0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1ji8 s LYS 14 CO 0.00 0.51 0.01 0.21 -0.76 0.00 0.00 175.35 175.32 1ji8 s LYS 15 N -2.63 3.31 -0.08 1.68 2.20 -1.26 -1.36 119.74 121.60 1ji8 s LYS 15 Ca 0.27 -0.40 -0.03 0.00 -0.36 0.00 0.00 55.97 55.45 1ji8 s LYS 15 Cb -0.11 -2.91 0.04 0.00 -1.51 0.00 0.00 37.83 33.34 1ji8 s LYS 15 CO 0.19 0.55 0.08 0.08 -0.36 0.00 0.00 175.35 175.89 1ji8 s VAL 16 N -0.45 -0.12 -0.33 4.02 1.01 -0.26 -4.91 120.40 119.36 1ji8 s VAL 16 Ca 0.08 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 1ji8 s VAL 16 Cb -0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1ji8 s VAL 16 CO 0.02 0.06 0.23 -0.63 0.00 0.00 0.00 175.10 174.78 1ji8 s ILE 17 N 2.18 5.23 -0.32 2.22 1.09 -1.26 -1.81 121.20 128.52 1ji8 s ILE 17 Ca 0.04 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.24 1ji8 s ILE 17 Cb -0.13 -3.66 -0.02 0.00 -1.06 0.00 0.00 42.46 37.59 1ji8 s ILE 17 CO -0.05 0.03 0.43 -0.76 -0.10 0.00 0.00 174.94 174.49 1ji8 s LEU 18 N 1.72 4.27 0.00 2.97 1.43 -0.67 -2.90 118.68 125.50 1ji8 s LEU 18 Ca 0.06 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1ji8 s LEU 18 Cb -0.17 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1ji8 s LEU 18 CO 0.10 -0.35 0.00 -0.67 0.23 0.00 0.00 176.35 175.66 1ji8 n ASP 19 N 5.52 0.00 -4.61 2.29 -0.08 -0.70 -1.44 116.55 117.52 1ji8 n ASP 19 Ca -0.07 -0.34 -0.60 0.00 -1.51 0.00 0.00 54.79 52.27 1ji8 n ASP 19 Cb 0.50 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.87 1ji8 n ASP 19 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ji8 n GLU 20 N -0.34 0.34 -3.30 -0.67 -0.00 -1.26 0.27 120.64 115.69 1ji8 n GLU 20 Ca 0.00 0.12 -0.19 0.00 -0.00 0.00 0.00 57.16 57.10 1ji8 n GLU 20 Cb 0.00 -1.67 0.06 0.00 -0.00 0.00 0.00 31.44 29.83 1ji8 n GLU 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1ji8 n ASP 21 N 2.85 -5.46 -3.96 -1.84 2.03 -1.26 -2.75 116.55 106.16 1ji8 n ASP 21 Ca 0.24 -0.40 -0.25 0.00 0.52 0.00 0.00 54.79 54.89 1ji8 n ASP 21 Cb 0.07 -4.10 -0.02 0.00 -0.72 0.00 0.00 41.12 36.35 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ji8 s PHE 23 N -3.96 3.05 0.46 0.00 5.36 -0.85 -4.63 117.98 117.40 1ji8 s PHE 23 Ca 0.01 0.79 -0.22 0.00 -0.96 0.00 0.00 56.93 56.55 1ji8 s PHE 23 Cb -0.00 -3.77 -0.10 0.00 -0.34 0.00 0.00 43.02 38.81 1ji8 s PHE 23 CO 0.89 -0.89 0.82 -0.12 -1.46 0.00 0.00 175.22 174.46 1ji8 n MET 24 N 6.94 0.97 -0.41 10.12 1.56 -1.26 -1.72 117.12 133.31 1ji8 n MET 24 Ca 0.08 0.35 0.00 0.00 -0.27 0.00 0.00 57.70 57.87 1ji8 n MET 24 Cb 0.48 -1.87 0.00 0.00 2.15 0.00 0.00 33.22 33.98 1ji8 n MET 24 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1ji8 n GLN 25 N 0.09 0.00 -3.00 2.12 -0.06 -1.14 -4.86 117.38 110.52 1ji8 n GLN 25 Ca 0.11 -0.76 -0.25 0.00 -2.00 0.00 0.00 57.00 54.10 1ji8 n GLN 25 Cb 0.41 -0.42 -0.04 0.00 -4.06 0.00 0.00 30.24 26.14 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 1ji8 n ASN 26 N 0.00 3.55 0.00 1.69 5.15 -1.26 -4.83 115.26 119.55 1ji8 n ASN 26 Ca 0.00 -3.51 0.09 0.00 -0.60 0.00 0.00 54.58 50.56 1ji8 n ASN 26 Cb 0.64 -0.58 0.42 0.00 -0.53 0.00 0.00 39.78 39.74 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1ji8 n PRO 27 N -0.11 0.07 -0.26 1.20 -0.04 -1.26 -3.42 135.00 131.18 1ji8 n PRO 27 Ca 0.29 0.16 0.17 0.00 -0.04 0.00 0.00 63.50 64.08 1ji8 n PRO 27 Cb 0.46 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.88 1ji8 n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ji8 h GLU 28 N 0.00 0.49 0.00 0.54 5.08 -1.99 -3.38 114.58 115.32 1ji8 h GLU 28 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ji8 h GLU 28 Cb 0.29 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ji8 h GLU 28 CO 0.00 0.33 0.00 -0.25 -1.00 0.00 0.00 179.01 178.09 1ji8 n ASP 29 N -4.55 0.00 -2.35 1.42 8.00 -1.22 -5.12 116.55 112.73 1ji8 n ASP 29 Ca 0.19 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 1ji8 n ASP 29 Cb 0.64 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.70 1ji8 n ASP 29 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1ji8 n TRP 30 N -1.41 -4.56 -4.55 1.24 -0.00 -1.25 -5.06 117.44 101.85 1ji8 n TRP 30 Ca 0.00 2.70 -0.25 0.00 -0.00 0.00 0.00 57.50 59.95 1ji8 n TRP 30 Cb 0.00 -3.78 -0.06 0.00 -0.00 0.00 0.00 31.31 27.47 1ji8 n TRP 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1ji8 n ASP 31 N 1.72 2.34 -0.08 5.87 8.00 -1.26 -5.02 116.55 128.13 1ji8 n ASP 31 Ca -0.09 -2.88 -0.11 0.00 0.71 0.00 0.00 54.79 52.41 1ji8 n ASP 31 Cb 0.14 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 41.75 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ji8 h GLU 32 N 0.00 0.44 -0.50 -1.24 3.07 -2.00 -2.45 114.58 111.90 1ji8 h GLU 32 Ca -0.32 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 1ji8 h GLU 32 Cb 1.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.92 1ji8 h GLU 32 CO 0.53 0.64 0.23 -0.22 -1.40 0.00 0.00 179.01 178.78 1ji8 h LYS 33 N 0.21 0.70 0.32 2.33 3.11 -1.99 -1.92 116.57 119.33 1ji8 h LYS 33 Ca 0.07 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1ji8 h LYS 33 Cb 0.45 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 1ji8 h LYS 33 CO 0.02 0.56 -0.15 0.28 -2.81 0.00 0.00 179.45 177.34 1ji8 h VAL 34 N 0.71 0.68 -0.93 2.00 2.07 -1.92 -2.30 116.25 116.56 1ji8 h VAL 34 Ca 0.18 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1ji8 h VAL 34 Cb 0.09 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1ji8 h VAL 34 CO -0.02 0.10 0.59 0.00 0.02 0.00 0.00 177.57 178.25 1ji8 h ALA 35 N -0.17 1.31 0.74 1.67 0.00 -1.31 -1.83 119.26 119.68 1ji8 h ALA 35 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ji8 h ALA 35 Cb 0.49 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ji8 h ALA 35 CO 0.07 0.31 -0.36 1.49 0.00 0.00 0.00 179.25 180.76 1ji8 h GLU 36 N 1.03 -0.97 -0.90 0.00 4.22 -1.28 -2.24 114.58 114.44 1ji8 h GLU 36 Ca 0.42 0.07 0.26 0.00 0.08 0.00 0.00 59.36 60.18 1ji8 h GLU 36 Cb 0.24 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 1ji8 h GLU 36 CO -0.20 -0.65 0.64 2.35 -2.18 0.00 0.00 179.01 178.98 1ji8 h TRP 37 N -1.00 0.06 0.17 0.92 7.01 -1.26 -1.15 115.95 120.70 1ji8 h TRP 37 Ca -0.10 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 1ji8 h TRP 37 Cb 0.77 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1ji8 h TRP 37 CO 0.05 0.01 -0.08 -0.07 -2.79 0.00 0.00 178.44 175.57 1ji8 h LEU 38 N 0.04 -0.19 -1.76 0.65 3.38 -0.85 -1.44 115.31 115.14 1ji8 h LEU 38 Ca 0.43 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1ji8 h LEU 38 Cb 1.66 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ji8 h LEU 38 CO -0.03 0.10 -0.09 0.00 0.09 0.00 0.00 178.44 178.51 1ji8 h ALA 39 N 0.28 1.81 0.00 1.53 0.00 -0.66 -1.77 119.26 120.44 1ji8 h ALA 39 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1ji8 h ALA 39 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ji8 h ALA 39 CO 0.04 0.15 -0.69 -0.09 0.00 0.00 0.00 179.25 178.65 1ji8 h ARG 40 N 0.04 0.00 0.05 0.00 1.12 -1.20 -1.29 114.38 113.10 1ji8 h ARG 40 Ca 0.01 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.61 1ji8 h ARG 40 Cb 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.16 1ji8 h ARG 40 CO 0.01 0.69 -1.10 1.49 -3.11 0.00 0.00 179.97 177.96 1ji8 h GLU 41 N 0.00 0.53 0.00 0.20 4.81 -0.42 -3.26 114.58 116.43 1ji8 h GLU 41 Ca -0.01 -0.64 -0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1ji8 h GLU 41 Cb 1.28 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.85 1ji8 h GLU 41 CO 0.09 1.25 -0.02 1.25 -0.73 0.00 0.00 179.01 180.86 1ji8 h LEU 42 N 0.26 0.00 0.00 1.64 5.85 -1.43 -3.46 115.31 118.18 1ji8 h LEU 42 Ca -0.13 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1ji8 h LEU 42 Cb 1.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1ji8 h LEU 42 CO 0.20 0.57 0.00 -0.62 -0.34 0.00 0.00 178.44 178.25 1ji8 n GLU 43 N -4.75 0.00 0.00 1.25 1.02 -0.53 -5.06 120.64 112.57 1ji8 n GLU 43 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1ji8 n GLU 43 Cb 0.07 -0.07 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ji8 n GLY 44 N 2.71 0.00 3.56 0.62 0.00 -0.98 -4.93 105.19 106.17 1ji8 n GLY 44 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ji8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ji8 s ILE 45 N 0.00 3.94 0.55 -0.61 1.01 -1.24 -4.81 121.20 120.03 1ji8 s ILE 45 Ca 0.00 -0.94 0.42 0.00 0.00 0.00 0.00 60.65 60.13 1ji8 s ILE 45 Cb 0.00 -5.06 0.62 0.00 0.01 0.00 0.00 42.46 38.04 1ji8 s ILE 45 CO 0.00 -1.93 1.72 1.56 0.00 0.00 0.00 174.94 176.29 1ji8 h GLN 46 N 9.47 0.01 -2.20 2.79 4.20 -1.94 -3.35 115.11 124.09 1ji8 h GLN 46 Ca 0.24 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.78 1ji8 h GLN 46 Cb 0.99 -0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.46 1ji8 h GLN 46 CO 1.43 0.00 -0.48 0.15 -0.67 0.00 0.00 178.83 179.26 1ji8 s LYS 47 N -4.93 0.30 -0.40 1.46 1.02 -1.26 -5.08 119.74 110.86 1ji8 s LYS 47 Ca -0.05 0.62 -0.44 0.00 0.02 0.00 0.00 55.97 56.11 1ji8 s LYS 47 Cb 0.25 -0.36 -0.19 0.00 -0.52 0.00 0.00 37.83 37.01 1ji8 s LYS 47 CO 0.84 -0.53 1.62 -1.33 -0.92 0.00 0.00 175.35 175.04 1ji8 n MET 48 N 5.36 0.40 -1.98 1.68 2.81 -1.26 -4.86 117.12 119.28 1ji8 n MET 48 Ca -0.05 0.15 -0.35 0.00 -1.81 0.00 0.00 57.70 55.63 1ji8 n MET 48 Cb 0.50 -1.71 0.03 0.00 -0.71 0.00 0.00 33.22 31.34 1ji8 n MET 48 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ji8 s THR 49 N 3.02 2.77 0.38 2.03 -4.23 -1.26 -4.82 115.64 113.52 1ji8 s THR 49 Ca 1.02 0.45 0.13 0.00 -1.18 0.00 0.00 61.69 62.11 1ji8 s THR 49 Cb -1.34 -3.13 0.35 0.00 1.34 0.00 0.00 72.50 69.71 1ji8 s THR 49 CO 0.75 -0.13 1.84 -0.08 -0.54 0.00 0.00 174.62 176.46 1ji8 h GLU 50 N 0.74 0.54 -0.52 3.99 4.81 -2.01 0.24 114.58 122.37 1ji8 h GLU 50 Ca -0.50 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 58.58 1ji8 h GLU 50 Cb 1.29 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1ji8 h GLU 50 CO 0.55 0.36 -0.13 0.93 -0.73 0.00 0.00 179.01 179.98 1ji8 h GLU 51 N 0.56 1.01 0.36 1.92 3.07 -1.99 -2.19 114.58 117.32 1ji8 h GLU 51 Ca 0.50 -0.39 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1ji8 h GLU 51 Cb 1.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.86 1ji8 h GLU 51 CO -0.24 1.07 -0.33 0.45 -1.40 0.00 0.00 179.01 178.57 1ji8 h HIS 52 N 0.88 -0.88 -0.02 4.33 3.86 -1.30 -1.21 115.15 120.81 1ji8 h HIS 52 Ca 0.13 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1ji8 h HIS 52 Cb 0.70 0.34 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 1ji8 h HIS 52 CO 0.05 -0.47 0.02 -1.49 0.86 0.00 0.00 177.93 176.89 1ji8 h TRP 53 N -0.71 0.00 -0.50 2.45 -0.00 -1.48 -1.64 115.95 114.07 1ji8 h TRP 53 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.89 58.78 1ji8 h TRP 53 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 29.77 1ji8 h TRP 53 CO -0.18 0.00 -0.03 -0.22 -0.00 0.00 0.00 178.44 178.02 1ji8 h LYS 54 N 0.00 0.89 -0.38 0.49 1.63 -0.60 -1.64 116.57 116.97 1ji8 h LYS 54 Ca 0.01 -0.30 -0.13 0.00 -0.85 0.00 0.00 60.65 59.38 1ji8 h LYS 54 Cb 0.04 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 1ji8 h LYS 54 CO -0.00 0.94 -0.29 1.25 -3.45 0.00 0.00 179.45 177.90 1ji8 h LEU 55 N 0.75 0.84 -0.70 5.20 5.85 -0.35 -2.42 115.31 124.48 1ji8 h LEU 55 Ca 0.14 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1ji8 h LEU 55 Cb 0.55 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1ji8 h LEU 55 CO 0.03 1.07 0.09 0.58 -0.34 0.00 0.00 178.44 179.86 1ji8 h VAL 56 N 0.69 1.26 0.12 1.05 2.07 -1.26 -1.76 116.25 118.42 1ji8 h VAL 56 Ca 0.08 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1ji8 h VAL 56 Cb 0.82 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ji8 h VAL 56 CO 0.07 0.39 -0.06 0.11 0.02 0.00 0.00 177.57 178.11 1ji8 h LYS 57 N 1.01 -0.16 -0.91 1.57 1.57 -1.16 -1.62 116.57 116.88 1ji8 h LYS 57 Ca 0.20 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.05 1ji8 h LYS 57 Cb 0.46 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.74 1ji8 h LYS 57 CO 0.02 0.10 0.57 -0.92 -0.57 0.00 0.00 179.45 178.65 1ji8 h TYR 58 N -0.41 1.06 -0.41 -1.35 3.20 -1.38 -1.23 116.97 116.46 1ji8 h TYR 58 Ca -0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 1ji8 h TYR 58 Cb 0.33 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 1ji8 h TYR 58 CO 0.01 0.54 0.01 -0.07 -1.64 0.00 0.00 178.16 177.01 1ji8 h LEU 59 N 1.04 0.61 -1.38 2.82 4.07 -1.18 -2.47 115.31 118.83 1ji8 h LEU 59 Ca 0.40 -0.13 0.08 0.00 0.08 0.00 0.00 57.88 58.31 1ji8 h LEU 59 Cb 0.17 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.70 1ji8 h LEU 59 CO -0.17 0.67 0.49 0.03 -1.08 0.00 0.00 178.44 178.38 1ji8 h ARG 60 N 0.61 0.71 -0.35 1.13 2.47 -0.21 -0.94 114.38 117.81 1ji8 h ARG 60 Ca 0.13 -0.04 -0.10 0.00 -1.26 0.00 0.00 59.98 58.70 1ji8 h ARG 60 Cb 0.37 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 1ji8 h ARG 60 CO 0.01 0.47 -0.20 0.93 0.56 0.00 0.00 179.97 181.74 1ji8 h GLU 61 N 0.73 0.66 -0.02 0.04 5.08 -1.33 -2.79 114.58 116.96 1ji8 h GLU 61 Ca 0.33 -0.25 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1ji8 h GLU 61 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ji8 h GLU 61 CO -0.11 0.82 -0.56 -0.92 -1.00 0.00 0.00 179.01 177.24 1ji8 h TYR 62 N 0.59 0.08 -0.15 4.33 5.03 -1.17 -2.88 116.97 122.80 1ji8 h TYR 62 Ca 0.09 -0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.41 1ji8 h TYR 62 Cb 0.67 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.93 1ji8 h TYR 62 CO 0.03 0.61 0.13 2.35 -1.32 0.00 0.00 178.16 179.96 1ji8 h TRP 63 N 0.05 0.00 -0.77 -3.82 7.01 -1.06 -0.07 115.95 117.29 1ji8 h TRP 63 Ca -0.00 0.00 -0.39 0.00 2.11 0.00 0.00 58.89 60.60 1ji8 h TRP 63 Cb 1.01 0.00 -0.23 0.00 -2.10 0.00 0.00 29.16 27.83 1ji8 h TRP 63 CO 0.01 0.00 0.50 0.39 -2.79 0.00 0.00 178.44 176.54 1ji8 n GLU 64 N -4.09 2.05 0.04 2.65 -0.58 -1.09 -4.39 120.64 115.24 1ji8 n GLU 64 Ca 0.01 -2.36 0.00 0.00 -0.42 0.00 0.00 57.16 54.39 1ji8 n GLU 64 Cb 0.25 -1.93 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1ji8 n GLU 64 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1ji8 n THR 65 N -0.75 0.07 0.00 2.62 -1.04 -0.06 -5.08 114.28 110.04 1ji8 n THR 65 Ca 0.46 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1ji8 n THR 65 Cb 1.41 -0.70 0.00 0.00 -1.82 0.00 0.00 70.33 69.22 1ji8 n THR 65 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1ji8 n PHE 66 N -2.86 0.00 -1.92 -1.42 3.72 -1.05 -5.04 117.46 108.90 1ji8 n PHE 66 Ca 0.00 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.37 1ji8 n PHE 66 Cb 0.07 0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji8 n GLY 67 N 2.47 0.63 7.00 1.37 0.00 -1.26 -5.01 105.19 110.40 1ji8 n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ji8 n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ji8 n THR 68 N 0.00 0.00 -3.46 2.61 -1.04 -1.24 -4.90 114.28 106.26 1ji8 n THR 68 Ca -0.13 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.66 1ji8 n THR 68 Cb 0.55 0.00 0.05 0.00 -1.82 0.00 0.00 70.33 69.11 1ji8 n THR 68 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ji8 s PRO 70 N -5.03 1.98 1.08 0.00 0.04 -1.26 -5.05 135.00 126.76 1ji8 s PRO 70 Ca 0.40 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.08 1ji8 s PRO 70 Cb -0.10 -1.89 0.26 0.00 0.04 0.00 0.00 34.50 32.81 1ji8 s PRO 70 CO 0.81 -1.74 1.11 -0.35 0.04 0.00 0.00 177.00 176.87 1ji8 n PRO 71 N -3.54 -2.42 -0.50 0.56 -0.04 -1.26 -4.89 135.00 122.91 1ji8 n PRO 71 Ca 0.07 -1.76 -0.08 0.00 -0.04 0.00 0.00 63.50 61.70 1ji8 n PRO 71 Cb 0.55 -1.46 0.09 0.00 -0.04 0.00 0.00 33.50 32.64 1ji8 n PRO 71 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1ji8 n ILE 72 N -4.40 1.81 0.00 0.52 0.13 -1.26 -3.84 119.36 112.33 1ji8 n ILE 72 Ca 0.15 -0.78 0.00 0.00 -1.10 0.00 0.00 62.75 61.02 1ji8 n ILE 72 Cb 0.55 -0.72 0.00 0.00 -0.84 0.00 0.00 39.64 38.64 1ji8 n ILE 72 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1ji8 n LYS 73 N -0.12 2.19 0.19 9.51 4.81 -1.26 -4.73 118.16 128.74 1ji8 n LYS 73 Ca 0.23 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.76 1ji8 n LYS 73 Cb 0.94 -0.83 0.13 0.00 0.02 0.00 0.00 35.03 35.30 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1ji8 h MET 74 N 0.00 0.00 0.25 1.64 2.86 -1.95 -2.79 114.93 114.94 1ji8 h MET 74 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ji8 h MET 74 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1ji8 h MET 74 CO 0.00 0.19 -0.12 0.28 1.06 0.00 0.00 176.91 178.33 1ji8 h VAL 75 N 0.00 0.80 0.00 -2.22 2.07 -1.85 -3.16 116.25 111.89 1ji8 h VAL 75 Ca -0.00 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 1ji8 h VAL 75 Cb 1.13 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1ji8 h VAL 75 CO 0.03 0.14 -0.44 0.00 0.02 0.00 0.00 177.57 177.32 1ji8 h THR 76 N -0.70 1.03 -1.17 2.57 1.03 -1.75 -3.10 112.91 110.82 1ji8 h THR 76 Ca -0.03 -1.67 0.39 0.00 -0.01 0.00 0.00 66.41 65.09 1ji8 h THR 76 Cb 0.48 1.98 -0.14 0.00 -1.07 0.00 0.00 68.15 69.40 1ji8 h THR 76 CO 0.06 0.43 0.72 0.50 -0.01 0.00 0.00 175.52 177.21 1ji8 h LYS 77 N 0.00 0.15 -1.24 0.00 3.64 -1.45 -2.58 116.57 115.08 1ji8 h LYS 77 Ca -0.00 -0.01 -0.39 0.00 -1.27 0.00 0.00 60.65 58.98 1ji8 h LYS 77 Cb 0.95 -0.03 -0.37 0.00 -0.41 0.00 0.00 32.23 32.36 1ji8 h LYS 77 CO 0.06 0.10 -1.12 0.39 -2.27 0.00 0.00 179.45 176.61 1ji8 n GLU 78 N -4.86 1.08 0.00 1.90 -0.58 -1.20 -4.88 120.64 112.10 1ji8 n GLU 78 Ca 0.35 -3.15 0.00 0.00 -0.42 0.00 0.00 57.16 53.94 1ji8 n GLU 78 Cb 1.26 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 1ji8 n GLU 78 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1ji8 n THR 79 N 0.04 0.00 -1.72 2.62 -1.04 -0.99 -5.03 114.28 108.16 1ji8 n THR 79 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 1ji8 n THR 79 Cb 0.76 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.27 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ji8 n GLY 80 N -1.16 0.82 3.61 3.41 0.00 -1.15 -5.00 105.19 105.72 1ji8 n GLY 80 Ca 0.00 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1ji8 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ji8 s PHE 81 N -2.31 3.25 0.11 1.61 0.40 -1.26 -5.02 117.98 114.76 1ji8 s PHE 81 Ca 0.00 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1ji8 s PHE 81 Cb 0.00 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 1ji8 s PHE 81 CO 0.00 -0.02 0.34 0.45 0.70 0.00 0.00 175.22 176.69 1ji8 s SER 82 N 1.12 6.48 0.58 1.36 0.15 -1.26 -4.33 113.70 117.79 1ji8 s SER 82 Ca 0.06 0.54 0.30 0.00 0.70 0.00 0.00 55.95 57.55 1ji8 s SER 82 Cb -0.14 -2.07 1.44 0.00 -1.71 0.00 0.00 66.02 63.54 1ji8 s SER 82 CO 0.05 0.10 1.85 0.25 1.20 0.00 0.00 173.24 176.68 1ji8 h LEU 83 N 3.02 0.00 -0.43 3.45 5.85 -1.98 -0.04 115.31 125.17 1ji8 h LEU 83 Ca -0.46 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1ji8 h LEU 83 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1ji8 h LEU 83 CO 0.72 0.00 0.26 -0.08 -0.34 0.00 0.00 178.44 179.00 1ji8 h GLU 84 N 0.00 0.50 -0.56 1.25 4.81 -1.99 -1.08 114.58 117.51 1ji8 h GLU 84 Ca 0.30 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1ji8 h GLU 84 Cb 1.49 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 1ji8 h GLU 84 CO -0.00 0.33 0.15 0.87 -0.73 0.00 0.00 179.01 179.63 1ji8 h LYS 85 N 0.52 0.89 0.00 1.92 1.57 -1.39 -2.02 116.57 118.06 1ji8 h LYS 85 Ca 0.17 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1ji8 h LYS 85 Cb 0.01 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1ji8 h LYS 85 CO -0.08 0.83 -0.16 0.82 -0.57 0.00 0.00 179.45 180.29 1ji8 h ILE 86 N 0.80 0.98 0.05 1.86 5.03 -1.39 -1.26 117.51 123.58 1ji8 h ILE 86 Ca 0.18 -0.57 -0.26 0.00 -0.12 0.00 0.00 64.86 64.08 1ji8 h ILE 86 Cb 0.33 1.32 0.02 0.00 -3.03 0.00 0.00 36.82 35.45 1ji8 h ILE 86 CO -0.00 0.16 -1.10 1.88 -0.68 0.00 0.00 178.15 178.41 1ji8 h TYR 87 N 0.00 0.82 0.00 1.37 -1.99 -0.70 -1.87 116.97 114.60 1ji8 h TYR 87 Ca -0.00 -0.48 -0.10 0.00 2.00 0.00 0.00 58.73 60.15 1ji8 h TYR 87 Cb 0.31 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 1ji8 h TYR 87 CO 0.00 1.32 -0.47 1.96 -0.00 0.00 0.00 178.16 180.98 1ji8 h GLN 88 N 0.26 0.00 0.00 4.88 4.20 -0.98 -3.34 115.11 120.13 1ji8 h GLN 88 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1ji8 h GLN 88 Cb 1.76 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 1ji8 h GLN 88 CO 0.20 0.47 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.49 1ji8 h LEU 89 N 0.00 0.00-10.49 1.46 3.38 -1.26 -3.47 115.31 104.92 1ji8 h LEU 89 Ca -0.00 -0.24 -0.44 0.00 0.09 0.00 0.00 57.88 57.28 1ji8 h LEU 89 Cb 1.11 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.91 1ji8 h LEU 89 CO 0.06 0.77 0.01 -0.36 0.09 0.00 0.00 178.44 179.01 1ji8 s PHE 90 N -1.94 2.93 -0.07 1.13 0.08 -0.70 -5.04 117.98 114.38 1ji8 s PHE 90 Ca -0.10 0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.89 1ji8 s PHE 90 Cb 0.01 -2.78 -0.14 0.00 -0.57 0.00 0.00 43.02 39.54 1ji8 s PHE 90 CO 0.25 -0.90 0.71 -1.00 -0.10 0.00 0.00 175.22 174.18 1ji8 h PRO 91 N -0.02 -0.20 0.00 0.24 0.13 -1.84 -3.42 132.00 126.89 1ji8 h PRO 91 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1ji8 h PRO 91 Cb 1.29 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1ji8 h PRO 91 CO 0.55 0.20 0.00 0.43 -0.23 0.00 0.00 178.00 178.95 1ji8 n SER 92 N -4.90 0.00 0.00 1.44 7.64 -1.26 -5.00 113.62 111.54 1ji8 n SER 92 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1ji8 n SER 92 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ji8 n GLY 93 N 0.00 0.80 0.02 0.23 0.00 -1.26 -4.99 105.19 99.99 1ji8 n GLY 93 Ca 0.00 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.51 1ji8 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ji8 n PRO 94 N 0.00 0.04 0.00 1.61 -0.04 -1.26 -2.34 135.00 133.01 1ji8 n PRO 94 Ca 0.00 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1ji8 n PRO 94 Cb 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1ji8 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ji8 n ALA 95 N -1.55 -0.11 0.93 0.55 0.00 -1.26 -2.68 120.51 116.40 1ji8 n ALA 95 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.59 1ji8 n ALA 95 Cb 0.23 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.20 1ji8 n ALA 95 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ji8 n HIS 96 N -0.94 0.00 0.00 0.00 1.44 -1.26 -3.29 115.22 111.17 1ji8 n HIS 96 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1ji8 n HIS 96 Cb 0.00 -0.38 0.00 0.00 0.12 0.00 0.00 29.99 29.73 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ji8 n GLY 97 N 0.68 0.39 0.46 -1.39 0.00 -0.99 -1.56 105.19 102.78 1ji8 n GLY 97 Ca 0.08 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.42 1ji8 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 h ALA 98 N -2.00 2.62 0.50 4.61 0.00 -1.65 -0.79 119.26 122.54 1ji8 h ALA 98 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ji8 h ALA 98 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ji8 h ALA 98 CO 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 179.25 177.90 1ji8 h LYS 100 N -1.08 0.00 0.10 0.00 3.64 -0.13 -0.64 116.57 118.46 1ji8 h LYS 100 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1ji8 h LYS 100 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ji8 h LYS 100 CO 0.11 0.00 -0.05 0.28 -2.27 0.00 0.00 179.45 177.52 1ji8 h VAL 101 N 0.00 0.55 0.00 2.00 2.07 -1.17 -3.22 116.25 116.48 1ji8 h VAL 101 Ca 0.32 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1ji8 h VAL 101 Cb 1.60 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ji8 h VAL 101 CO -0.00 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1ji8 n ALA 102 N -2.69 1.11 -1.07 1.67 0.00 -0.70 -4.86 120.51 113.98 1ji8 n ALA 102 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ji8 n ALA 102 Cb 0.19 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1ji8 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ji8 n GLY 103 N -1.20 -0.31 2.66 0.00 0.00 -0.33 -5.08 105.19 100.93 1ji8 n GLY 103 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 1ji8 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 n ALA 104 N -0.35 -3.84 -1.00 4.61 0.00 -1.14 -4.97 120.51 113.81 1ji8 n ALA 104 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ji8 n ALA 104 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.06 1ji8 n ALA 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ji8 n PRO 105 N 2.23 0.00 -2.73 0.00 -0.04 -1.26 -4.53 135.00 128.68 1ji8 n PRO 105 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1ji8 n PRO 105 Cb 0.67 -0.17 0.05 0.00 -0.04 0.00 0.00 33.50 34.01 1ji8 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1ji8 n LYS 106 N 0.00 0.59 -1.45 0.54 4.81 -1.26 -5.02 118.16 116.37 1ji8 n LYS 106 Ca 0.00 -1.45 -0.30 0.00 -0.87 0.00 0.00 58.31 55.68 1ji8 n LYS 106 Cb 0.00 -1.12 0.10 0.00 0.02 0.00 0.00 35.03 34.03 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1ji8 s PRO 107 N 0.56 2.04 0.10 1.64 0.04 -1.26 -5.08 135.00 133.03 1ji8 s PRO 107 Ca 0.30 0.77 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 1ji8 s PRO 107 Cb 0.21 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.84 1ji8 s PRO 107 CO -0.20 -1.68 0.15 0.99 0.04 0.00 0.00 177.00 176.30 1ji8 s THR 108 N -3.07 0.14 0.00 1.26 2.01 -1.26 -5.07 115.64 109.65 1ji8 s THR 108 Ca 0.61 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 61.20 1ji8 s THR 108 Cb -0.15 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.82 1ji8 s THR 108 CO 0.55 -0.63 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1ji8 n GLY 109 N -0.06 -2.16 2.43 4.40 0.00 -1.26 -4.88 105.19 103.65 1ji8 n GLY 109 Ca -0.12 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32