#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 s PRO 2 N 0.00 4.25 -0.37 0.03 0.04 -1.26 -4.88 135.00 132.82 1ji8 s PRO 2 Ca 0.00 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 1ji8 s PRO 2 Cb 0.00 -3.73 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 1ji8 s PRO 2 CO 0.00 -0.66 1.89 0.08 0.04 0.00 0.00 177.00 178.34 1ji8 s VAL 3 N 3.20 3.38 -0.40 -0.36 1.01 -1.26 -4.89 120.40 121.08 1ji8 s VAL 3 Ca 0.59 0.36 -0.27 0.00 0.00 0.00 0.00 61.98 62.66 1ji8 s VAL 3 Cb -0.25 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1ji8 s VAL 3 CO 0.20 -0.42 2.15 -0.54 0.00 0.00 0.00 175.10 176.49 1ji8 s LYS 4 N 6.09 2.70 0.03 2.72 1.02 -1.26 -4.91 119.74 126.13 1ji8 s LYS 4 Ca 0.81 1.45 -0.11 0.00 0.02 0.00 0.00 55.97 58.14 1ji8 s LYS 4 Cb -0.22 -4.42 -0.06 0.00 -0.52 0.00 0.00 37.83 32.62 1ji8 s LYS 4 CO 0.31 -2.60 0.37 0.00 -0.92 0.00 0.00 175.35 172.52 1ji8 s PRO 6 N -1.52 4.26 0.18 0.00 0.04 -1.22 -4.73 135.00 132.01 1ji8 s PRO 6 Ca 0.28 1.55 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 1ji8 s PRO 6 Cb -0.15 -2.66 0.01 0.00 0.04 0.00 0.00 34.50 31.74 1ji8 s PRO 6 CO 0.15 -0.06 0.42 0.20 0.04 0.00 0.00 177.00 177.74 1ji8 s GLY 7 N -1.46 0.18 0.03 0.56 0.00 -0.67 -4.92 107.32 101.04 1ji8 s GLY 7 Ca 0.55 -0.54 0.07 0.00 0.00 0.00 0.00 44.72 44.80 1ji8 s GLY 7 CO 0.30 -0.53 -0.17 -0.54 0.00 0.00 0.00 173.10 172.15 1ji8 s GLU 8 N -3.92 2.13 0.24 2.90 2.02 -1.26 -1.37 118.70 119.44 1ji8 s GLU 8 Ca 0.13 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 54.12 1ji8 s GLU 8 Cb 0.01 -2.22 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1ji8 s GLU 8 CO -0.01 0.55 0.33 0.71 0.02 0.00 0.00 175.26 176.86 1ji8 s TYR 9 N -0.91 0.82 -0.08 1.61 1.51 -0.74 -5.00 117.35 114.56 1ji8 s TYR 9 Ca 0.14 -1.09 -0.00 0.00 -1.01 0.00 0.00 57.07 55.11 1ji8 s TYR 9 Cb -0.11 -0.17 0.03 0.00 -0.11 0.00 0.00 41.96 41.60 1ji8 s TYR 9 CO 0.05 -0.87 -0.03 -0.65 -1.11 0.00 0.00 175.55 172.94 1ji8 s GLN 10 N -3.93 0.94 -0.42 -0.62 -0.21 -1.26 -1.30 119.66 112.86 1ji8 s GLN 10 Ca 0.31 -0.05 -0.15 0.00 0.02 0.00 0.00 55.36 55.48 1ji8 s GLN 10 Cb 0.03 -1.12 0.03 0.00 1.00 0.00 0.00 33.01 32.94 1ji8 s GLN 10 CO 0.12 -0.23 0.32 0.08 -2.12 0.00 0.00 175.29 173.46 1ji8 s VAL 11 N 1.61 5.25 0.00 1.09 1.01 -0.08 -4.85 120.40 124.43 1ji8 s VAL 11 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1ji8 s VAL 11 Cb -0.13 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1ji8 s VAL 11 CO -0.04 -0.35 0.00 -0.67 0.00 0.00 0.00 175.10 174.03 1ji8 n ASP 12 N 5.19 0.00 -2.57 3.32 -0.08 -1.26 -1.56 116.55 119.60 1ji8 n ASP 12 Ca -0.11 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.02 1ji8 n ASP 12 Cb 0.47 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.95 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ji8 n GLY 13 N 0.00 3.46 3.23 0.27 0.00 -1.26 -5.07 105.19 105.82 1ji8 n GLY 13 Ca 0.00 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.38 0.70 -0.30 1.61 1.02 -0.60 -5.13 119.74 113.65 1ji8 s LYS 14 Ca 0.36 -0.32 -0.04 0.00 0.02 0.00 0.00 55.97 55.99 1ji8 s LYS 14 Cb 0.42 0.30 0.04 0.00 -0.52 0.00 0.00 37.83 38.07 1ji8 s LYS 14 CO -0.05 -0.20 0.03 0.21 -0.92 0.00 0.00 175.35 174.42 1ji8 s LYS 15 N -1.76 2.62 -0.09 1.68 2.20 -1.26 -0.90 119.74 122.23 1ji8 s LYS 15 Ca -0.11 -1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 54.32 1ji8 s LYS 15 Cb -0.04 -3.26 -0.04 0.00 -1.51 0.00 0.00 37.83 32.99 1ji8 s LYS 15 CO 0.01 -0.58 0.05 0.08 -0.36 0.00 0.00 175.35 174.55 1ji8 s VAL 16 N 1.34 4.72 -0.31 4.02 1.01 -0.42 -4.98 120.40 125.77 1ji8 s VAL 16 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1ji8 s VAL 16 Cb -0.19 -3.02 0.06 0.00 0.00 0.00 0.00 36.38 33.24 1ji8 s VAL 16 CO 0.00 0.60 0.01 -0.63 0.00 0.00 0.00 175.10 175.09 1ji8 s ILE 17 N -0.94 2.85 -0.15 2.22 1.01 -1.26 -1.79 121.20 123.14 1ji8 s ILE 17 Ca 0.14 -1.59 -0.26 0.00 0.00 0.00 0.00 60.65 58.95 1ji8 s ILE 17 Cb -0.12 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1ji8 s ILE 17 CO 0.03 -0.21 0.86 -0.76 0.00 0.00 0.00 174.94 174.86 1ji8 s LEU 18 N 1.19 4.20 0.00 2.97 1.43 -0.47 -3.66 118.68 124.33 1ji8 s LEU 18 Ca -0.03 1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 54.31 1ji8 s LEU 18 Cb -0.20 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 42.75 1ji8 s LEU 18 CO -0.03 -0.38 0.06 -0.67 0.23 0.00 0.00 176.35 175.57 1ji8 n ASP 19 N 5.05 -1.45 -0.29 2.29 2.03 -0.78 -1.67 116.55 121.72 1ji8 n ASP 19 Ca 0.05 -0.37 0.07 0.00 0.52 0.00 0.00 54.79 55.06 1ji8 n ASP 19 Cb 0.49 -0.06 0.29 0.00 -0.72 0.00 0.00 41.12 41.12 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ji8 h GLU 20 N 0.00 0.87 -1.18 -0.67 4.22 -1.91 -1.08 114.58 114.82 1ji8 h GLU 20 Ca -0.03 -0.05 -0.55 0.00 0.08 0.00 0.00 59.36 58.81 1ji8 h GLU 20 Cb 0.08 -0.20 -0.24 0.00 0.50 0.00 0.00 28.75 28.90 1ji8 h GLU 20 CO 0.02 0.57 0.71 -0.25 -2.18 0.00 0.00 179.01 177.88 1ji8 n ASP 21 N -4.54 7.21 -4.25 1.04 9.92 -1.26 -3.99 116.55 120.68 1ji8 n ASP 21 Ca 0.16 -3.53 -0.37 0.00 -0.53 0.00 0.00 54.79 50.51 1ji8 n ASP 21 Cb 0.32 -1.00 -0.04 0.00 -0.64 0.00 0.00 41.12 39.75 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ji8 s PHE 23 N -3.23 3.42 0.01 0.00 0.40 -1.26 -4.71 117.98 112.61 1ji8 s PHE 23 Ca 0.75 0.99 -0.25 0.00 -0.60 0.00 0.00 56.93 57.82 1ji8 s PHE 23 Cb -0.42 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.70 1ji8 s PHE 23 CO 0.92 0.14 0.78 1.41 0.70 0.00 0.00 175.22 179.17 1ji8 s MET 24 N -3.10 4.49 0.00 0.44 1.75 -1.26 -1.87 119.30 119.75 1ji8 s MET 24 Ca 0.50 1.07 0.13 0.00 -1.25 0.00 0.00 55.69 56.13 1ji8 s MET 24 Cb -0.11 -3.40 -0.10 0.00 2.84 0.00 0.00 34.83 34.06 1ji8 s MET 24 CO 0.22 0.18 0.58 1.04 -0.65 0.00 0.00 175.02 176.40 1ji8 n GLN 25 N 3.19 2.63 -3.19 4.11 6.02 -1.24 -4.67 117.38 124.24 1ji8 n GLN 25 Ca -0.01 -0.18 -0.18 0.00 -0.01 0.00 0.00 57.00 56.62 1ji8 n GLN 25 Cb 0.51 -1.11 -0.03 0.00 1.02 0.00 0.00 30.24 30.62 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1ji8 n ASN 26 N -1.01 0.86 0.00 1.08 6.94 -1.26 -4.90 115.26 116.97 1ji8 n ASN 26 Ca 0.03 -3.01 0.10 0.00 -0.02 0.00 0.00 54.58 51.69 1ji8 n ASN 26 Cb 0.21 -0.62 0.59 0.00 -2.36 0.00 0.00 39.78 37.60 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ji8 n PRO 27 N 0.33 0.54 0.00 -0.53 -0.04 -1.26 -3.47 135.00 130.57 1ji8 n PRO 27 Ca 0.25 0.03 0.16 0.00 -0.04 0.00 0.00 63.50 63.90 1ji8 n PRO 27 Cb 0.65 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.23 1ji8 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ji8 h GLU 28 N 0.00 0.13 -0.84 0.54 4.22 -1.90 -0.70 114.58 116.03 1ji8 h GLU 28 Ca 0.00 -0.01 -0.54 0.00 0.08 0.00 0.00 59.36 58.89 1ji8 h GLU 28 Cb 0.06 -0.03 -0.29 0.00 0.50 0.00 0.00 28.75 28.98 1ji8 h GLU 28 CO 0.00 0.09 0.34 -0.40 -2.18 0.00 0.00 179.01 176.86 1ji8 n ASP 29 N -4.43 5.57 -4.76 1.04 5.68 -1.23 -5.02 116.55 113.41 1ji8 n ASP 29 Ca 0.08 -3.75 -0.39 0.00 -0.50 0.00 0.00 54.79 50.23 1ji8 n ASP 29 Cb 0.47 -0.77 0.02 0.00 -1.14 0.00 0.00 41.12 39.70 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 1ji8 s TRP 30 N -3.59 2.43 0.32 2.11 -0.00 -0.27 -4.98 118.94 114.96 1ji8 s TRP 30 Ca 0.57 1.31 -0.09 0.00 -0.00 0.00 0.00 56.10 57.90 1ji8 s TRP 30 Cb 0.47 -3.85 0.01 0.00 -0.00 0.00 0.00 33.47 30.10 1ji8 s TRP 30 CO 0.02 -2.84 0.55 0.34 -0.00 0.00 0.00 176.95 175.02 1ji8 s ASP 31 N -0.69 0.37 0.25 5.86 2.15 -1.26 -5.00 116.67 118.35 1ji8 s ASP 31 Ca 0.64 -1.21 -0.05 0.00 0.43 0.00 0.00 52.55 52.36 1ji8 s ASP 31 Cb -0.42 0.68 0.29 0.00 -0.30 0.00 0.00 42.92 43.17 1ji8 s ASP 31 CO 0.53 -1.33 1.88 -0.33 -0.17 0.00 0.00 175.17 175.74 1ji8 h GLU 32 N 2.13 1.18 -0.10 4.34 5.08 -2.00 -1.91 114.58 123.29 1ji8 h GLU 32 Ca -0.28 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 1ji8 h GLU 32 Cb 1.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ji8 h GLU 32 CO 0.38 0.86 -0.30 0.87 -1.00 0.00 0.00 179.01 179.81 1ji8 h LYS 33 N 1.18 0.19 0.37 2.33 1.57 -1.98 -2.12 116.57 118.12 1ji8 h LYS 33 Ca 0.30 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1ji8 h LYS 33 Cb 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ji8 h LYS 33 CO -0.05 0.48 -0.18 0.28 -0.57 0.00 0.00 179.45 179.41 1ji8 h VAL 34 N 0.17 0.20 -0.56 0.50 2.07 -1.75 -0.23 116.25 116.65 1ji8 h VAL 34 Ca 0.02 -0.68 0.10 0.00 0.82 0.00 0.00 66.70 66.96 1ji8 h VAL 34 Cb 0.63 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1ji8 h VAL 34 CO 0.05 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.83 1ji8 h ALA 35 N -0.94 0.67 -0.17 1.67 0.00 -1.41 -0.20 119.26 118.89 1ji8 h ALA 35 Ca -0.05 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ji8 h ALA 35 Cb 0.46 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ji8 h ALA 35 CO 0.08 -0.28 -0.29 1.49 0.00 0.00 0.00 179.25 180.26 1ji8 h GLU 36 N 0.29 0.33 -0.14 0.00 4.81 -1.45 -2.26 114.58 116.15 1ji8 h GLU 36 Ca 0.29 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1ji8 h GLU 36 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1ji8 h GLU 36 CO -0.35 0.59 0.08 2.35 -0.73 0.00 0.00 179.01 180.94 1ji8 h TRP 37 N 0.29 0.19 -0.48 0.92 7.01 0.76 -2.04 115.95 122.60 1ji8 h TRP 37 Ca 0.04 -0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.92 1ji8 h TRP 37 Cb 0.66 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.64 1ji8 h TRP 37 CO 0.01 0.21 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.64 1ji8 h LEU 38 N 0.12 0.93 -1.14 0.65 3.38 -1.25 -2.47 115.31 115.54 1ji8 h LEU 38 Ca 0.05 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1ji8 h LEU 38 Cb 0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1ji8 h LEU 38 CO -0.01 1.08 0.58 0.00 0.09 0.00 0.00 178.44 180.19 1ji8 h ALA 39 N 0.99 1.40 0.07 1.53 0.00 -1.21 -0.78 119.26 121.27 1ji8 h ALA 39 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ji8 h ALA 39 Cb 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1ji8 h ALA 39 CO 0.05 0.54 -0.03 -0.09 0.00 0.00 0.00 179.25 179.72 1ji8 h ARG 40 N 1.16 -0.09 -0.06 0.00 2.43 -1.20 -0.56 114.38 116.06 1ji8 h ARG 40 Ca 0.34 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1ji8 h ARG 40 Cb -0.07 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1ji8 h ARG 40 CO -0.09 0.42 0.06 0.93 -1.51 0.00 0.00 179.97 179.79 1ji8 h GLU 41 N -0.68 0.00 0.00 0.20 5.08 -1.29 0.37 114.58 118.27 1ji8 h GLU 41 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1ji8 h GLU 41 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ji8 h GLU 41 CO 0.02 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.31 1ji8 n LEU 42 N -4.05 0.39 0.08 1.33 4.32 -0.31 -4.67 117.00 114.08 1ji8 n LEU 42 Ca -0.02 0.25 -0.22 0.00 -0.02 0.00 0.00 56.01 56.00 1ji8 n LEU 42 Cb 0.16 -0.40 -0.15 0.00 -1.62 0.00 0.00 43.42 41.41 1ji8 n LEU 42 CO 0.30 -0.40 -0.14 -0.08 -1.22 0.00 0.00 177.39 175.85 1ji8 h GLU 43 N 0.00 0.38 0.00 3.23 4.81 -1.18 -3.48 114.58 118.33 1ji8 h GLU 43 Ca 0.00 -0.65 0.00 0.00 -0.13 0.00 0.00 59.36 58.58 1ji8 h GLU 43 Cb 0.00 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1ji8 h GLU 43 CO 0.00 1.31 0.00 0.41 -0.73 0.00 0.00 179.01 180.00 1ji8 n GLY 44 N 1.71 1.92 3.58 1.92 0.00 0.13 -5.00 105.19 109.45 1ji8 n GLY 44 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.00 3.97 0.06 -0.61 1.01 -1.23 -4.87 121.20 117.53 1ji8 s ILE 45 Ca 0.00 0.85 -0.20 0.00 0.00 0.00 0.00 60.65 61.29 1ji8 s ILE 45 Cb 0.00 -4.71 -0.12 0.00 0.01 0.00 0.00 42.46 37.64 1ji8 s ILE 45 CO 0.00 -1.36 1.45 -0.61 0.00 0.00 0.00 174.94 174.42 1ji8 h GLN 46 N 9.73 0.32 -4.84 2.79 5.75 -1.92 -3.29 115.11 123.65 1ji8 h GLN 46 Ca -0.25 -0.12 -0.67 0.00 -0.15 0.00 0.00 58.65 57.45 1ji8 h GLN 46 Cb 1.06 -0.02 -0.36 0.00 1.07 0.00 0.00 27.48 29.23 1ji8 h GLN 46 CO 1.19 0.58 -0.77 0.21 -2.65 0.00 0.00 178.83 177.39 1ji8 s LYS 47 N -4.79 2.25 0.52 1.69 2.47 -1.26 -4.98 119.74 115.64 1ji8 s LYS 47 Ca -0.14 -1.36 -0.18 0.00 -1.56 0.00 0.00 55.97 52.73 1ji8 s LYS 47 Cb 0.06 -2.98 -0.13 0.00 -1.46 0.00 0.00 37.83 33.32 1ji8 s LYS 47 CO 0.73 -0.60 0.08 -0.12 0.16 0.00 0.00 175.35 175.60 1ji8 n MET 48 N 4.47 0.16 -2.18 4.03 0.00 -1.26 -4.94 117.12 117.39 1ji8 n MET 48 Ca -0.13 0.06 -0.27 0.00 -0.00 0.00 0.00 57.70 57.36 1ji8 n MET 48 Cb 0.42 -1.22 0.12 0.00 0.00 0.00 0.00 33.22 32.54 1ji8 n MET 48 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1ji8 s THR 49 N -1.91 2.14 0.09 1.12 -4.23 -1.26 -5.00 115.64 106.59 1ji8 s THR 49 Ca 0.61 -0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 60.74 1ji8 s THR 49 Cb -0.48 -2.90 -0.16 0.00 1.34 0.00 0.00 72.50 70.30 1ji8 s THR 49 CO 0.62 0.00 1.29 -0.33 -0.54 0.00 0.00 174.62 175.67 1ji8 h GLU 50 N -0.94 0.74 -0.17 3.99 3.07 -2.01 -3.19 114.58 116.06 1ji8 h GLU 50 Ca -0.43 -0.59 -0.11 0.00 -0.50 0.00 0.00 59.36 57.73 1ji8 h GLU 50 Cb 1.28 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.30 1ji8 h GLU 50 CO 0.49 1.21 -0.37 0.93 -1.40 0.00 0.00 179.01 179.87 1ji8 h GLU 51 N 0.45 0.37 -0.26 2.33 4.39 -1.99 -2.63 114.58 117.25 1ji8 h GLU 51 Ca -0.04 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.54 1ji8 h GLU 51 Cb 1.33 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.93 1ji8 h GLU 51 CO 0.14 0.69 -0.03 0.45 -1.16 0.00 0.00 179.01 179.10 1ji8 h HIS 52 N 0.31 -0.08 0.00 4.33 3.86 -1.94 -1.30 115.15 120.34 1ji8 h HIS 52 Ca 0.03 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 1ji8 h HIS 52 Cb 0.79 0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 1ji8 h HIS 52 CO 0.02 -0.08 -0.39 -1.49 0.86 0.00 0.00 177.93 176.85 1ji8 h TRP 53 N 0.04 0.00 0.75 2.45 -0.00 -1.57 -2.01 115.95 115.60 1ji8 h TRP 53 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.98 1ji8 h TRP 53 Cb 0.17 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.34 1ji8 h TRP 53 CO -0.23 0.39 -0.36 0.87 -0.00 0.00 0.00 178.44 179.11 1ji8 h LYS 54 N 0.00 -0.97 0.03 0.49 1.57 -0.88 -0.56 116.57 116.25 1ji8 h LYS 54 Ca -0.00 0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1ji8 h LYS 54 Cb 0.86 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1ji8 h LYS 54 CO 0.05 -0.63 -0.01 1.25 -0.57 0.00 0.00 179.45 179.54 1ji8 h LEU 55 N -1.14 -0.03 -1.64 2.94 5.85 -1.44 -2.24 115.31 117.61 1ji8 h LEU 55 Ca -0.10 -0.40 0.20 0.00 0.84 0.00 0.00 57.88 58.42 1ji8 h LEU 55 Cb 0.79 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1ji8 h LEU 55 CO 0.17 0.39 0.57 0.58 -0.34 0.00 0.00 178.44 179.81 1ji8 h VAL 56 N -0.46 0.68 0.05 1.05 2.07 -1.43 -1.50 116.25 116.71 1ji8 h VAL 56 Ca -0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 1ji8 h VAL 56 Cb 0.43 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ji8 h VAL 56 CO 0.01 0.06 -0.02 0.50 0.02 0.00 0.00 177.57 178.13 1ji8 h LYS 57 N 0.31 -0.07 -0.69 1.57 1.63 -0.96 -2.86 116.57 115.50 1ji8 h LYS 57 Ca 0.43 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 60.41 1ji8 h LYS 57 Cb 1.19 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.80 1ji8 h LYS 57 CO -0.13 0.55 0.49 -0.92 -3.45 0.00 0.00 179.45 175.99 1ji8 h TYR 58 N -0.79 0.17 -0.14 1.91 5.03 -0.75 -1.04 116.97 121.36 1ji8 h TYR 58 Ca -0.01 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1ji8 h TYR 58 Cb 0.65 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.87 1ji8 h TYR 58 CO 0.15 0.06 -0.31 1.25 -1.32 0.00 0.00 178.16 177.99 1ji8 h LEU 59 N 0.14 0.51 -1.44 2.82 5.85 -1.30 -3.10 115.31 118.79 1ji8 h LEU 59 Ca 0.34 -0.57 0.27 0.00 0.84 0.00 0.00 57.88 58.76 1ji8 h LEU 59 Cb 1.13 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.92 1ji8 h LEU 59 CO -0.05 0.99 0.68 -0.09 -0.34 0.00 0.00 178.44 179.63 1ji8 h ARG 60 N 0.06 0.34 0.13 1.25 2.43 -0.95 -0.34 114.38 117.30 1ji8 h ARG 60 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ji8 h ARG 60 Cb 0.91 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1ji8 h ARG 60 CO 0.07 0.23 -0.10 1.49 -1.51 0.00 0.00 179.97 180.15 1ji8 h GLU 61 N 0.35 -0.22 -0.72 0.20 4.81 -1.45 -0.57 114.58 116.98 1ji8 h GLU 61 Ca 0.58 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.81 1ji8 h GLU 61 Cb 1.56 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.95 1ji8 h GLU 61 CO -0.26 -0.15 0.37 -0.92 -0.73 0.00 0.00 179.01 177.32 1ji8 h TYR 62 N -0.23 1.01 0.00 0.92 3.20 -1.18 -1.11 116.97 119.58 1ji8 h TYR 62 Ca -0.01 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1ji8 h TYR 62 Cb 0.20 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1ji8 h TYR 62 CO -0.10 0.73 0.00 1.87 -1.64 0.00 0.00 178.16 179.02 1ji8 n TRP 63 N -4.45 0.43 0.62 -3.82 -0.00 -0.76 -1.90 117.44 107.56 1ji8 n TRP 63 Ca 0.06 0.18 0.12 0.00 -0.00 0.00 0.00 57.50 57.85 1ji8 n TRP 63 Cb 0.11 -0.78 0.16 0.00 -0.00 0.00 0.00 31.31 30.80 1ji8 n TRP 63 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 1ji8 n GLU 64 N -1.90 0.26 -0.12 5.87 0.00 -0.25 -1.64 120.64 122.86 1ji8 n GLU 64 Ca 0.02 0.06 -0.25 0.00 0.00 0.00 0.00 57.16 57.00 1ji8 n GLU 64 Cb 0.18 -1.65 -0.11 0.00 0.00 0.00 0.00 31.44 29.86 1ji8 n GLU 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1ji8 n THR 65 N -2.01 1.54 -0.03 6.31 -1.04 -0.80 -4.73 114.28 113.53 1ji8 n THR 65 Ca 0.03 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1ji8 n THR 65 Cb 0.43 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 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 -3.93 0.00 -3.13 -1.42 3.72 -1.03 -5.02 117.46 106.64 1ji8 n PHE 66 Ca -0.47 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 56.78 1ji8 n PHE 66 Cb 0.90 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.50 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 0.67 -0.12 3.50 1.37 0.00 -0.65 -5.00 105.19 104.96 1ji8 n GLY 67 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1ji8 n GLY 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ji8 s THR 68 N -3.24 2.98 -0.34 2.61 -4.23 -1.26 -4.95 115.64 107.21 1ji8 s THR 68 Ca 0.19 -1.28 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1ji8 s THR 68 Cb -0.08 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.52 1ji8 s THR 68 CO 0.52 0.22 0.06 0.00 -0.54 0.00 0.00 174.62 174.88 1ji8 s PRO 70 N 1.05 3.40 0.00 0.00 0.04 -1.26 -5.04 135.00 133.20 1ji8 s PRO 70 Ca 0.05 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.42 1ji8 s PRO 70 Cb -0.20 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1ji8 s PRO 70 CO -0.05 -0.76 0.00 -0.35 0.04 0.00 0.00 177.00 175.88 1ji8 n PRO 71 N -1.66 0.00 -2.69 0.56 -0.04 -1.26 -4.83 135.00 125.08 1ji8 n PRO 71 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1ji8 n PRO 71 Cb 0.52 -0.17 0.09 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.00 0.00 0.02 0.52 0.13 -1.26 -4.34 119.36 114.43 1ji8 n ILE 72 Ca 0.00 -1.03 0.00 0.00 -1.10 0.00 0.00 62.75 60.62 1ji8 n ILE 72 Cb 0.00 1.15 0.00 0.00 -0.84 0.00 0.00 39.64 39.95 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 0.20 0.00 0.13 9.51 4.81 -1.26 -4.82 118.16 126.72 1ji8 n LYS 73 Ca -0.04 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.51 1ji8 n LYS 73 Cb 0.73 -0.02 0.49 0.00 0.02 0.00 0.00 35.03 36.26 1ji8 n LYS 73 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1ji8 n MET 74 N -2.67 0.17 -0.08 1.64 1.56 -1.26 -2.63 117.12 113.85 1ji8 n MET 74 Ca 0.00 0.46 -0.14 0.00 -0.27 0.00 0.00 57.70 57.75 1ji8 n MET 74 Cb 0.00 -1.86 -0.05 0.00 2.15 0.00 0.00 33.22 33.45 1ji8 n MET 74 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1ji8 h VAL 75 N 0.00 1.31 0.00 1.12 2.07 -1.95 -2.81 116.25 116.00 1ji8 h VAL 75 Ca 0.00 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 65.92 1ji8 h VAL 75 Cb 0.28 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1ji8 h VAL 75 CO 0.00 0.49 -0.29 0.74 0.02 0.00 0.00 177.57 178.53 1ji8 h THR 76 N 0.39 0.92 -0.08 2.57 2.02 -1.82 -0.83 112.91 116.07 1ji8 h THR 76 Ca 0.03 -1.10 -0.15 0.00 0.77 0.00 0.00 66.41 65.95 1ji8 h THR 76 Cb 0.93 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 1ji8 h THR 76 CO 0.08 0.28 -0.62 0.50 0.37 0.00 0.00 175.52 176.13 1ji8 h LYS 77 N 0.00 0.30 0.00 6.66 3.64 -1.55 -0.38 116.57 125.23 1ji8 h LYS 77 Ca -0.00 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1ji8 h LYS 77 Cb 0.63 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1ji8 h LYS 77 CO 0.04 0.82 -0.23 1.49 -2.27 0.00 0.00 179.45 179.30 1ji8 h GLU 78 N 0.22 0.00 -0.74 1.90 4.57 -1.22 -3.39 114.58 115.92 1ji8 h GLU 78 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1ji8 h GLU 78 Cb 1.14 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 1ji8 h GLU 78 CO 0.10 0.00 0.46 1.79 -1.18 0.00 0.00 179.01 180.18 1ji8 h THR 79 N -0.64 1.21 0.00 0.32 1.35 -1.32 -3.46 112.91 110.37 1ji8 h THR 79 Ca 0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1ji8 h THR 79 Cb 0.23 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1ji8 h THR 79 CO 0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 1ji8 n GLY 80 N -1.22 2.41 3.53 5.82 0.00 -0.15 -5.01 105.19 110.56 1ji8 n GLY 80 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1ji8 n GLY 80 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ji8 n PHE 81 N -2.00 -0.02 -2.37 1.61 3.01 -1.26 -4.90 117.46 111.53 1ji8 n PHE 81 Ca 0.00 0.44 -0.39 0.00 1.01 0.00 0.00 57.45 58.52 1ji8 n PHE 81 Cb 0.00 -2.04 -0.03 0.00 -0.01 0.00 0.00 39.48 37.41 1ji8 n PHE 81 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1ji8 s SER 82 N -1.20 6.76 0.27 4.37 1.04 -1.26 -4.80 113.70 118.88 1ji8 s SER 82 Ca 0.72 2.30 0.11 0.00 0.48 0.00 0.00 55.95 59.56 1ji8 s SER 82 Cb -0.44 -2.61 0.34 0.00 0.10 0.00 0.00 66.02 63.41 1ji8 s SER 82 CO 0.51 -0.50 1.59 0.25 0.98 0.00 0.00 173.24 176.07 1ji8 h LEU 83 N 2.95 0.00 -1.86 2.42 5.85 -1.98 -3.05 115.31 119.64 1ji8 h LEU 83 Ca -0.48 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.25 1ji8 h LEU 83 Cb 1.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1ji8 h LEU 83 CO 0.64 0.62 0.12 -0.08 -0.34 0.00 0.00 178.44 179.40 1ji8 h GLU 84 N 0.00 0.18 0.59 1.25 4.22 -1.99 -2.19 114.58 116.64 1ji8 h GLU 84 Ca -0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.39 1ji8 h GLU 84 Cb 1.14 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.36 1ji8 h GLU 84 CO 0.08 0.12 -0.28 0.87 -2.18 0.00 0.00 179.01 177.62 1ji8 h LYS 85 N 0.19 -0.76 -0.67 1.92 1.79 -1.93 -1.38 116.57 115.73 1ji8 h LYS 85 Ca 0.07 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.72 1ji8 h LYS 85 Cb 0.05 0.17 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 1ji8 h LYS 85 CO -0.01 -0.51 0.18 0.82 -1.08 0.00 0.00 179.45 178.85 1ji8 h ILE 86 N -1.00 0.62 -0.36 1.86 5.03 -1.64 0.16 117.51 122.17 1ji8 h ILE 86 Ca -0.08 -0.11 -0.00 0.00 -0.12 0.00 0.00 64.86 64.55 1ji8 h ILE 86 Cb 0.61 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 34.66 1ji8 h ILE 86 CO 0.13 0.06 0.21 0.22 -0.68 0.00 0.00 178.15 178.09 1ji8 h TYR 87 N 0.31 0.47 0.00 1.37 5.03 -1.40 -1.27 116.97 121.48 1ji8 h TYR 87 Ca 0.36 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 1ji8 h TYR 87 Cb 0.55 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.66 1ji8 h TYR 87 CO -0.23 0.32 -0.41 0.37 -1.32 0.00 0.00 178.16 176.90 1ji8 h GLN 88 N 0.50 0.00 0.01 1.82 4.15 0.42 -3.31 115.11 118.70 1ji8 h GLN 88 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1ji8 h GLN 88 Cb -0.01 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1ji8 h GLN 88 CO -0.02 0.41 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.21 1ji8 h LEU 89 N 0.00 -0.02-10.27 -2.39 3.38 0.00 -3.46 115.31 102.55 1ji8 h LEU 89 Ca -0.00 -0.75 -0.46 0.00 0.09 0.00 0.00 57.88 56.76 1ji8 h LEU 89 Cb 1.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.91 1ji8 h LEU 89 CO 0.05 0.77 -0.30 -0.36 0.09 0.00 0.00 178.44 178.69 1ji8 s PHE 90 N -2.95 3.31 -1.19 1.13 0.08 -0.81 -4.99 117.98 112.56 1ji8 s PHE 90 Ca -0.17 0.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.71 1ji8 s PHE 90 Cb -0.01 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1ji8 s PHE 90 CO 0.64 0.10 1.91 -0.35 -0.10 0.00 0.00 175.22 177.42 1ji8 n PRO 91 N -1.67 2.32 -3.36 0.24 -0.04 -1.26 -4.58 135.00 126.65 1ji8 n PRO 91 Ca -0.04 -2.65 -0.25 0.00 -0.04 0.00 0.00 63.50 60.53 1ji8 n PRO 91 Cb 0.57 -3.44 0.02 0.00 -0.04 0.00 0.00 33.50 30.62 1ji8 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ji8 n SER 92 N 9.88 -6.01 0.00 3.54 7.64 -1.26 -4.93 113.62 122.49 1ji8 n SER 92 Ca 0.48 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1ji8 n SER 92 Cb 0.44 -1.89 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 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 0.30 -1.78 0.25 0.23 0.00 -1.26 -5.02 105.19 97.91 1ji8 n GLY 93 Ca -0.05 0.73 0.14 0.00 0.00 0.00 0.00 46.02 46.84 1ji8 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ji8 h PRO 94 N 0.00 0.00 0.00 1.61 0.13 -1.91 -1.03 132.00 130.80 1ji8 h PRO 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ji8 h PRO 94 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ji8 h PRO 94 CO 0.00 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 177.85 1ji8 n ALA 95 N -2.13 0.00 0.31 -0.56 0.00 -1.26 -2.24 120.51 114.62 1ji8 n ALA 95 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.59 1ji8 n ALA 95 Cb 0.40 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.48 1ji8 n ALA 95 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ji8 h HIS 96 N 0.00 0.00 0.00 0.00 3.86 -1.96 -2.50 115.15 114.55 1ji8 h HIS 96 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ji8 h HIS 96 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ji8 h HIS 96 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1ji8 n GLY 97 N -0.45 -0.94 0.31 2.45 0.00 -0.39 -1.58 105.19 104.60 1ji8 n GLY 97 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 1.34 -0.15 4.61 0.00 -1.49 -1.04 119.26 120.54 1ji8 h ALA 98 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ji8 h ALA 98 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ji8 h ALA 98 CO 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.20 1ji8 h LYS 100 N 0.14 0.78 -0.05 0.00 3.64 -0.19 -0.54 116.57 120.35 1ji8 h LYS 100 Ca 0.05 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1ji8 h LYS 100 Cb 0.07 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1ji8 h LYS 100 CO -0.01 0.51 -0.62 0.28 -2.27 0.00 0.00 179.45 177.35 1ji8 h VAL 101 N 0.80 1.41 0.07 2.00 2.07 -0.87 -3.24 116.25 118.49 1ji8 h VAL 101 Ca 0.38 -2.04 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1ji8 h VAL 101 Cb 0.41 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1ji8 h VAL 101 CO -0.15 0.60 -0.03 0.00 0.02 0.00 0.00 177.57 178.00 1ji8 h ALA 102 N 1.24 -0.10 0.00 1.67 0.00 0.07 -3.44 119.26 118.71 1ji8 h ALA 102 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ji8 h ALA 102 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ji8 h ALA 102 CO 0.09 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1ji8 n GLY 103 N -0.43 0.86 3.57 0.00 0.00 -0.91 -4.97 105.19 103.31 1ji8 n GLY 103 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 1ji8 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 s ALA 104 N -1.59 3.51 0.00 4.61 0.00 -1.26 -4.75 121.76 122.29 1ji8 s ALA 104 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1ji8 s ALA 104 Cb 0.00 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.25 1ji8 s ALA 104 CO 0.00 -0.99 0.00 -0.35 0.00 0.00 0.00 175.76 174.42 1ji8 n PRO 105 N 5.52 0.00 -3.93 0.00 -0.04 -1.26 -4.90 135.00 130.39 1ji8 n PRO 105 Ca -0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.04 1ji8 n PRO 105 Cb 0.50 -0.10 0.01 0.00 -0.04 0.00 0.00 33.50 33.87 1ji8 n PRO 105 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ji8 n LYS 106 N 0.00 -0.92 -0.02 0.54 4.76 -1.26 -4.84 118.16 116.42 1ji8 n LYS 106 Ca 0.00 0.43 -0.14 0.00 -2.87 0.00 0.00 58.31 55.73 1ji8 n LYS 106 Cb 0.00 -2.37 -0.02 0.00 -1.84 0.00 0.00 35.03 30.80 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1ji8 h PRO 107 N -1.40 0.71 0.00 1.97 0.13 -1.97 -3.47 132.00 127.96 1ji8 h PRO 107 Ca -0.68 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 63.93 1ji8 h PRO 107 Cb 1.41 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1ji8 h PRO 107 CO 0.44 1.14 0.00 2.41 -0.23 0.00 0.00 178.00 181.76 1ji8 n THR 108 N -3.94 0.00 -3.46 1.56 -1.04 -1.26 -5.10 114.28 101.04 1ji8 n THR 108 Ca -0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 1ji8 n THR 108 Cb 0.69 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.08 1ji8 n THR 108 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ji8 s GLY 109 N -0.69 0.16 0.00 3.41 0.00 -1.26 -5.14 107.32 103.81 1ji8 s GLY 109 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1ji8 s GLY 109 CO 0.00 2.38 0.00 0.00 0.00 0.00 0.00 173.10 175.48