#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ji8 h PRO 2 N 0.00 0.25 -4.38 2.12 0.13 -2.05 -3.40 132.00 124.67 1ji8 h PRO 2 Ca 0.00 -0.19 -0.73 0.00 -0.87 0.00 0.00 66.00 64.20 1ji8 h PRO 2 Cb 0.00 0.04 -0.22 0.00 0.13 0.00 0.00 31.00 30.95 1ji8 h PRO 2 CO 0.00 0.84 -0.11 0.08 -0.23 0.00 0.00 178.00 178.58 1ji8 s VAL 3 N -3.61 5.06 -0.43 1.56 1.01 -1.26 -5.02 120.40 117.71 1ji8 s VAL 3 Ca -0.04 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.57 1ji8 s VAL 3 Cb 0.11 -4.35 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1ji8 s VAL 3 CO 0.81 -0.90 0.48 -0.54 0.00 0.00 0.00 175.10 174.94 1ji8 s LYS 4 N 2.03 3.11 0.13 2.72 3.01 -1.26 -5.06 119.74 124.42 1ji8 s LYS 4 Ca 0.07 -0.76 0.06 0.00 -1.01 0.00 0.00 55.97 54.32 1ji8 s LYS 4 Cb -0.26 -3.99 -0.04 0.00 -1.01 0.00 0.00 37.83 32.53 1ji8 s LYS 4 CO 0.05 -0.92 0.02 0.00 0.51 0.00 0.00 175.35 175.02 1ji8 s PRO 6 N -2.61 2.73 -0.07 0.00 0.04 -0.77 -4.78 135.00 129.54 1ji8 s PRO 6 Ca 0.27 0.83 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 1ji8 s PRO 6 Cb -0.11 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1ji8 s PRO 6 CO 0.19 -1.21 1.36 0.20 0.04 0.00 0.00 177.00 177.59 1ji8 s GLY 7 N -3.88 -0.32 -0.24 0.56 0.00 -0.54 -4.92 107.32 97.97 1ji8 s GLY 7 Ca 0.59 0.48 -0.08 0.00 0.00 0.00 0.00 44.72 45.71 1ji8 s GLY 7 CO 0.55 3.39 0.09 1.85 0.00 0.00 0.00 173.10 178.97 1ji8 s GLU 8 N -2.08 3.76 0.06 2.90 2.12 -1.26 -0.89 118.70 123.31 1ji8 s GLU 8 Ca 0.23 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.15 1ji8 s GLU 8 Cb 0.03 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 1ji8 s GLU 8 CO -0.04 -0.11 -0.06 0.71 -0.54 0.00 0.00 175.26 175.22 1ji8 s TYR 9 N 1.43 0.68 0.05 5.30 2.02 -0.90 -5.01 117.35 120.92 1ji8 s TYR 9 Ca 0.06 -0.76 0.08 0.00 -0.37 0.00 0.00 57.07 56.08 1ji8 s TYR 9 Cb -0.15 -0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 1ji8 s TYR 9 CO 0.05 -0.17 -0.21 -0.65 -1.57 0.00 0.00 175.55 173.00 1ji8 s GLN 10 N -2.81 1.94 -0.10 -0.62 1.11 -1.26 -1.71 119.66 116.21 1ji8 s GLN 10 Ca 0.00 -1.05 0.02 0.00 0.01 0.00 0.00 55.36 54.34 1ji8 s GLN 10 Cb -0.01 -2.12 0.01 0.00 -1.01 0.00 0.00 33.01 29.89 1ji8 s GLN 10 CO -0.03 0.52 -0.15 0.08 0.01 0.00 0.00 175.29 175.72 1ji8 s VAL 11 N -0.92 1.45 0.00 1.09 1.01 -0.96 -4.96 120.40 117.11 1ji8 s VAL 11 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ji8 s VAL 11 Cb -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1ji8 s VAL 11 CO 0.05 0.43 0.00 0.47 0.00 0.00 0.00 175.10 176.05 1ji8 n ASP 12 N 4.17 0.00 -3.14 3.32 9.92 -1.26 -1.38 116.55 128.18 1ji8 n ASP 12 Ca -0.19 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 53.88 1ji8 n ASP 12 Cb 0.51 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ji8 n GLY 13 N 0.00 3.71 3.83 0.44 0.00 -1.26 -5.09 105.19 106.81 1ji8 n GLY 13 Ca 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 1ji8 n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ji8 s LYS 14 N -2.57 1.61 -0.05 1.61 2.20 -0.48 -5.16 119.74 116.90 1ji8 s LYS 14 Ca 0.40 -0.90 0.06 0.00 -0.36 0.00 0.00 55.97 55.17 1ji8 s LYS 14 Cb 0.35 0.54 -0.01 0.00 -1.51 0.00 0.00 37.83 37.20 1ji8 s LYS 14 CO -0.08 -0.74 -0.23 0.21 -0.36 0.00 0.00 175.35 174.15 1ji8 s LYS 15 N -3.66 2.22 0.01 4.03 2.47 -1.26 -2.26 119.74 121.29 1ji8 s LYS 15 Ca 0.12 -0.81 0.01 0.00 -1.56 0.00 0.00 55.97 53.73 1ji8 s LYS 15 Cb -0.04 -1.93 -0.01 0.00 -1.46 0.00 0.00 37.83 34.38 1ji8 s LYS 15 CO 0.06 0.37 -0.04 0.08 0.16 0.00 0.00 175.35 175.97 1ji8 s VAL 16 N -0.18 0.29 -0.36 4.02 1.01 -0.70 -4.98 120.40 119.50 1ji8 s VAL 16 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1ji8 s VAL 16 Cb -0.12 -0.32 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1ji8 s VAL 16 CO 0.02 -0.15 0.12 -0.63 0.00 0.00 0.00 175.10 174.47 1ji8 s ILE 17 N -0.65 3.38 0.18 2.22 1.01 -1.26 -2.13 121.20 123.95 1ji8 s ILE 17 Ca -0.05 -1.58 -0.32 0.00 0.00 0.00 0.00 60.65 58.71 1ji8 s ILE 17 Cb -0.05 -3.09 -0.11 0.00 0.01 0.00 0.00 42.46 39.23 1ji8 s ILE 17 CO -0.00 -0.37 1.64 -0.76 0.00 0.00 0.00 174.94 175.45 1ji8 s LEU 18 N 1.26 4.37 0.00 2.97 1.43 -0.07 -3.02 118.68 125.63 1ji8 s LEU 18 Ca 0.01 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1ji8 s LEU 18 Cb -0.21 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1ji8 s LEU 18 CO -0.01 -0.89 0.00 -0.67 0.23 0.00 0.00 176.35 175.01 1ji8 n ASP 19 N 4.11 0.00 0.08 2.29 2.03 -0.83 -1.47 116.55 122.75 1ji8 n ASP 19 Ca 0.15 -0.04 0.11 0.00 0.52 0.00 0.00 54.79 55.53 1ji8 n ASP 19 Cb 0.37 0.00 0.45 0.00 -0.72 0.00 0.00 41.12 41.22 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ji8 n GLU 20 N -0.04 0.14 -0.84 -0.67 2.13 -1.26 -1.84 120.64 118.26 1ji8 n GLU 20 Ca 0.00 0.28 -0.05 0.00 0.66 0.00 0.00 57.16 58.06 1ji8 n GLU 20 Cb 0.00 -1.73 0.23 0.00 0.27 0.00 0.00 31.44 30.22 1ji8 n GLU 20 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ji8 n ASP 21 N -1.99 3.54 -1.74 4.31 8.00 -1.26 -4.72 116.55 122.69 1ji8 n ASP 21 Ca 0.04 -3.45 -0.11 0.00 0.71 0.00 0.00 54.79 51.97 1ji8 n ASP 21 Cb 0.27 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ji8 s PHE 23 N -2.18 2.92 0.35 0.00 5.36 -1.26 -4.82 117.98 118.34 1ji8 s PHE 23 Ca 0.00 -0.12 -0.29 0.00 -0.96 0.00 0.00 56.93 55.57 1ji8 s PHE 23 Cb 0.00 -1.39 -0.11 0.00 -0.34 0.00 0.00 43.02 41.18 1ji8 s PHE 23 CO 0.00 0.53 1.53 -0.12 -1.46 0.00 0.00 175.22 175.71 1ji8 n MET 24 N -0.37 2.70 0.16 10.12 1.56 -1.26 -1.97 117.12 128.06 1ji8 n MET 24 Ca -0.09 0.95 0.11 0.00 -0.27 0.00 0.00 57.70 58.40 1ji8 n MET 24 Cb 0.56 -2.71 0.08 0.00 2.15 0.00 0.00 33.22 33.30 1ji8 n MET 24 CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 1ji8 h GLN 25 N 3.69 0.00 -2.27 2.12 -0.00 -1.91 -3.38 115.11 113.35 1ji8 h GLN 25 Ca -0.49 0.00 -0.59 0.00 -0.00 0.00 0.00 58.65 57.56 1ji8 h GLN 25 Cb 1.23 0.00 -0.41 0.00 0.00 0.00 0.00 27.48 28.30 1ji8 h GLN 25 CO 0.70 0.03 -0.71 0.27 0.00 0.00 0.00 178.83 179.12 1ji8 n ASN 26 N -2.91 2.79 0.00 -0.69 6.94 -1.26 -4.87 115.26 115.26 1ji8 n ASN 26 Ca 0.02 -3.22 0.08 0.00 -0.02 0.00 0.00 54.58 51.43 1ji8 n ASN 26 Cb 0.56 -0.67 0.36 0.00 -2.36 0.00 0.00 39.78 37.67 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 1.18 0.03 -0.36 -0.53 -0.04 -1.26 -3.46 135.00 130.56 1ji8 n PRO 27 Ca 0.27 0.21 0.28 0.00 -0.04 0.00 0.00 63.50 64.22 1ji8 n PRO 27 Cb 0.43 -1.50 0.57 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.26 0.00 0.54 5.08 -1.94 -3.22 114.58 115.30 1ji8 h GLU 28 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ji8 h GLU 28 Cb 0.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ji8 h GLU 28 CO 0.00 0.17 0.00 -0.25 -1.00 0.00 0.00 179.01 177.93 1ji8 n ASP 29 N -4.62 0.00 -2.57 1.42 8.00 -1.22 -5.07 116.55 112.49 1ji8 n ASP 29 Ca 0.29 0.09 -0.02 0.00 0.71 0.00 0.00 54.79 55.86 1ji8 n ASP 29 Cb 1.09 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.90 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 -1.79 -2.86 -3.29 1.24 -0.00 -1.22 -5.02 117.44 104.49 1ji8 n TRP 30 Ca 0.00 1.68 -0.01 0.00 -0.00 0.00 0.00 57.50 59.17 1ji8 n TRP 30 Cb 0.00 -2.78 0.00 0.00 -0.00 0.00 0.00 31.31 28.53 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 2.00 0.68 0.13 5.87 8.00 -1.26 -4.96 116.55 127.01 1ji8 n ASP 31 Ca -0.16 -1.11 -0.10 0.00 0.71 0.00 0.00 54.79 54.13 1ji8 n ASP 31 Cb 0.25 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.39 -0.38 -1.24 5.08 -2.00 -2.40 114.58 113.25 1ji8 h GLU 32 Ca -0.02 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1ji8 h GLU 32 Cb 0.08 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1ji8 h GLU 32 CO 0.03 -0.11 0.34 1.57 -1.00 0.00 0.00 179.01 179.84 1ji8 h LYS 33 N -1.01 0.00 -0.01 2.33 2.10 -1.99 -1.69 116.57 116.30 1ji8 h LYS 33 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 1ji8 h LYS 33 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1ji8 h LYS 33 CO 0.07 0.00 -0.11 0.28 -2.00 0.00 0.00 179.45 177.69 1ji8 h VAL 34 N 0.00 1.55 -0.18 0.07 2.07 -1.94 -1.93 116.25 115.88 1ji8 h VAL 34 Ca 0.18 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1ji8 h VAL 34 Cb 0.86 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1ji8 h VAL 34 CO -0.00 0.47 0.12 0.00 0.02 0.00 0.00 177.57 178.18 1ji8 h ALA 35 N 0.29 0.22 -0.54 1.67 0.00 -0.80 -1.94 119.26 118.16 1ji8 h ALA 35 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1ji8 h ALA 35 Cb 0.83 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1ji8 h ALA 35 CO 0.02 -0.29 0.19 1.49 0.00 0.00 0.00 179.25 180.66 1ji8 h GLU 36 N 0.24 0.84 -0.34 0.00 4.81 -1.46 -2.29 114.58 116.38 1ji8 h GLU 36 Ca 0.06 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1ji8 h GLU 36 Cb -0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1ji8 h GLU 36 CO -0.01 0.75 0.13 2.35 -0.73 0.00 0.00 179.01 181.50 1ji8 h TRP 37 N 0.75 0.23 -0.57 0.92 7.01 -1.10 -0.69 115.95 122.50 1ji8 h TRP 37 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.17 1ji8 h TRP 37 Cb 0.25 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 1ji8 h TRP 37 CO 0.01 0.10 0.27 -0.07 -2.79 0.00 0.00 178.44 175.96 1ji8 h LEU 38 N 0.28 0.76 -1.64 0.65 3.38 -1.22 -1.89 115.31 115.63 1ji8 h LEU 38 Ca 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1ji8 h LEU 38 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ji8 h LEU 38 CO -0.15 0.68 -0.20 0.00 0.09 0.00 0.00 178.44 178.86 1ji8 h ALA 39 N 1.11 1.37 0.05 1.53 0.00 -0.98 -1.25 119.26 121.08 1ji8 h ALA 39 Ca 0.20 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1ji8 h ALA 39 Cb 0.13 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ji8 h ALA 39 CO -0.02 0.25 -0.74 -0.09 0.00 0.00 0.00 179.25 178.65 1ji8 h ARG 40 N 0.00 0.41 0.00 0.00 2.43 -0.53 -2.06 114.38 114.63 1ji8 h ARG 40 Ca -0.00 -0.51 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 1ji8 h ARG 40 Cb 0.44 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1ji8 h ARG 40 CO 0.03 1.18 -0.57 0.93 -1.51 0.00 0.00 179.97 180.03 1ji8 h GLU 41 N -0.12 0.00 0.06 0.20 4.39 -1.23 0.41 114.58 118.29 1ji8 h GLU 41 Ca -0.11 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 1ji8 h GLU 41 Cb 1.48 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.14 1ji8 h GLU 41 CO 0.14 0.57 -0.44 1.25 -1.16 0.00 0.00 179.01 179.37 1ji8 h LEU 42 N 0.00 0.21 0.00 1.33 5.85 -1.31 -3.42 115.31 117.98 1ji8 h LEU 42 Ca -0.01 -0.96 -0.40 0.00 0.84 0.00 0.00 57.88 57.35 1ji8 h LEU 42 Cb 1.16 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 1ji8 h LEU 42 CO 0.07 1.21 -2.37 -0.62 -0.34 0.00 0.00 178.44 176.39 1ji8 n GLU 43 N -4.38 0.53 0.00 1.25 1.02 -0.78 -5.03 120.64 113.25 1ji8 n GLU 43 Ca -0.13 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1ji8 n GLU 43 Cb 0.65 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 1.61 1.47 3.58 0.62 0.00 0.14 -5.02 105.19 107.59 1ji8 n GLY 44 Ca -0.47 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.89 3.21 0.28 -0.61 1.01 -1.25 -4.83 121.20 117.12 1ji8 s ILE 45 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 1ji8 s ILE 45 Cb 0.00 -3.36 0.33 0.00 0.01 0.00 0.00 42.46 39.45 1ji8 s ILE 45 CO 0.00 -0.27 1.62 1.56 0.00 0.00 0.00 174.94 177.84 1ji8 h GLN 46 N 15.34 0.09 -2.36 2.79 1.08 -1.94 -3.40 115.11 126.71 1ji8 h GLN 46 Ca -0.33 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 56.82 1ji8 h GLN 46 Cb 1.21 -0.02 -0.25 0.00 -0.05 0.00 0.00 27.48 28.37 1ji8 h GLN 46 CO 1.07 0.06 -0.28 0.21 -0.95 0.00 0.00 178.83 178.94 1ji8 s LYS 47 N -6.04 0.42 0.11 1.46 2.20 -1.26 -5.01 119.74 111.62 1ji8 s LYS 47 Ca -0.13 1.14 -0.35 0.00 -0.36 0.00 0.00 55.97 56.27 1ji8 s LYS 47 Cb 0.25 0.44 -0.17 0.00 -1.51 0.00 0.00 37.83 36.84 1ji8 s LYS 47 CO 0.77 -0.22 1.07 -1.33 -0.36 0.00 0.00 175.35 175.27 1ji8 n MET 48 N 5.25 0.62 0.00 4.03 2.81 -1.26 -4.95 117.12 123.62 1ji8 n MET 48 Ca -0.11 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1ji8 n MET 48 Cb 0.50 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1ji8 n MET 48 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ji8 n THR 49 N 1.46 0.00 -0.08 2.03 5.66 -1.26 -4.90 114.28 117.19 1ji8 n THR 49 Ca 0.18 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.97 1ji8 n THR 49 Cb 0.18 -0.75 -0.12 0.00 -1.55 0.00 0.00 70.33 68.09 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ji8 h GLU 50 N 0.00 0.05 -0.01 1.09 4.81 -2.02 -3.34 114.58 115.16 1ji8 h GLU 50 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1ji8 h GLU 50 Cb 0.00 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1ji8 h GLU 50 CO 0.00 1.04 0.01 0.93 -0.73 0.00 0.00 179.01 180.26 1ji8 h GLU 51 N -0.84 0.00 0.50 1.92 5.08 -1.99 -2.56 114.58 116.68 1ji8 h GLU 51 Ca -0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1ji8 h GLU 51 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1ji8 h GLU 51 CO -0.12 0.00 -0.24 0.45 -1.00 0.00 0.00 179.01 178.10 1ji8 h HIS 52 N 0.00 -0.62 0.01 4.33 3.86 -1.93 -1.68 115.15 119.12 1ji8 h HIS 52 Ca 0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ji8 h HIS 52 Cb 0.02 0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.70 1ji8 h HIS 52 CO 0.00 -0.31 -0.00 -1.49 0.86 0.00 0.00 177.93 176.98 1ji8 h TRP 53 N -0.84 -0.01 -0.64 2.45 -0.00 -1.62 -1.96 115.95 113.33 1ji8 h TRP 53 Ca -0.07 -0.00 0.12 0.00 -0.00 0.00 0.00 58.89 58.94 1ji8 h TRP 53 Cb 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 29.66 1ji8 h TRP 53 CO -0.01 0.07 0.19 -0.22 -0.00 0.00 0.00 178.44 178.48 1ji8 h LYS 54 N -0.09 0.33 0.84 0.49 3.64 -1.50 -0.77 116.57 119.51 1ji8 h LYS 54 Ca -0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1ji8 h LYS 54 Cb 0.09 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1ji8 h LYS 54 CO 0.00 0.22 -0.40 1.25 -2.27 0.00 0.00 179.45 178.24 1ji8 h LEU 55 N 0.34 -0.96 -1.85 5.20 5.85 -1.08 -2.22 115.31 120.59 1ji8 h LEU 55 Ca 0.34 0.03 0.24 0.00 0.84 0.00 0.00 57.88 59.33 1ji8 h LEU 55 Cb 0.49 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1ji8 h LEU 55 CO -0.38 -0.63 0.72 0.58 -0.34 0.00 0.00 178.44 178.38 1ji8 h VAL 56 N -1.23 0.35 -0.03 1.05 2.07 -1.07 0.38 116.25 117.77 1ji8 h VAL 56 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1ji8 h VAL 56 Cb 0.86 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1ji8 h VAL 56 CO 0.19 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 178.20 1ji8 h LYS 57 N 0.00 0.12 -0.76 1.57 3.64 -0.67 -2.16 116.57 118.31 1ji8 h LYS 57 Ca 0.39 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1ji8 h LYS 57 Cb 1.82 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.61 1ji8 h LYS 57 CO -0.00 0.68 0.50 -0.92 -2.27 0.00 0.00 179.45 177.43 1ji8 h TYR 58 N -0.43 0.91 -0.27 1.91 5.03 -0.35 -2.39 116.97 121.38 1ji8 h TYR 58 Ca -0.00 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.23 1ji8 h TYR 58 Cb 0.68 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1ji8 h TYR 58 CO 0.13 0.54 -0.23 1.25 -1.32 0.00 0.00 178.16 178.52 1ji8 h LEU 59 N 0.95 0.66 -0.54 2.82 5.85 -1.42 -3.17 115.31 120.45 1ji8 h LEU 59 Ca 0.30 -0.46 0.09 0.00 0.84 0.00 0.00 57.88 58.64 1ji8 h LEU 59 Cb 0.02 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1ji8 h LEU 59 CO -0.08 0.98 0.17 -0.09 -0.34 0.00 0.00 178.44 179.08 1ji8 h ARG 60 N 0.35 0.32 -1.01 1.25 2.43 -0.89 -0.86 114.38 115.97 1ji8 h ARG 60 Ca 0.05 -0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.49 1ji8 h ARG 60 Cb 0.78 -0.07 -0.14 0.00 -0.42 0.00 0.00 29.97 30.12 1ji8 h ARG 60 CO 0.06 0.21 0.59 0.93 -1.51 0.00 0.00 179.97 180.25 1ji8 h GLU 61 N 0.33 0.41 0.05 0.20 5.08 -1.45 0.24 114.58 119.44 1ji8 h GLU 61 Ca 0.27 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.35 1ji8 h GLU 61 Cb 0.34 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ji8 h GLU 61 CO -0.30 0.27 -1.07 -0.92 -1.00 0.00 0.00 179.01 175.99 1ji8 h TYR 62 N 0.42 0.68 0.00 4.33 5.03 -1.27 -3.07 116.97 123.10 1ji8 h TYR 62 Ca 0.70 -0.41 0.00 0.00 2.58 0.00 0.00 58.73 61.60 1ji8 h TYR 62 Cb 1.51 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.73 1ji8 h TYR 62 CO -0.01 1.25 0.00 1.87 -1.32 0.00 0.00 178.16 179.95 1ji8 n TRP 63 N -3.71 0.00 0.17 -3.82 -0.00 0.71 -2.73 117.44 108.06 1ji8 n TRP 63 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.43 1ji8 n TRP 63 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 32.21 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 -0.87 2.63 -0.09 5.87 2.13 -0.31 -4.21 120.64 125.80 1ji8 n GLU 64 Ca 0.14 -0.38 -0.15 0.00 0.66 0.00 0.00 57.16 57.44 1ji8 n GLU 64 Cb 0.07 -0.88 -0.07 0.00 0.27 0.00 0.00 31.44 30.82 1ji8 n GLU 64 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ji8 n THR 65 N -0.42 0.97 -0.04 6.31 -1.04 -1.11 -4.86 114.28 114.10 1ji8 n THR 65 Ca 0.02 -0.32 -0.07 0.00 -2.04 0.00 0.00 64.05 61.64 1ji8 n THR 65 Cb 0.08 -1.36 -0.03 0.00 -1.82 0.00 0.00 70.33 67.20 1ji8 n THR 65 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1ji8 n PHE 66 N -3.32 0.00 0.00 -1.42 -0.00 -1.13 -5.07 117.46 106.52 1ji8 n PHE 66 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.13 1ji8 n PHE 66 Cb 0.79 -0.30 0.00 0.00 -0.00 0.00 0.00 39.48 39.97 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ji8 n GLY 67 N 2.92 0.68 3.13 7.13 0.00 -1.21 -5.06 105.19 112.79 1ji8 n GLY 67 Ca -0.15 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ji8 s THR 68 N -1.16 0.05 -0.61 2.61 2.01 -1.26 -5.03 115.64 112.25 1ji8 s THR 68 Ca 0.00 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1ji8 s THR 68 Cb 0.00 -0.43 0.16 0.00 0.01 0.00 0.00 72.50 72.23 1ji8 s THR 68 CO 0.00 -0.22 0.50 0.00 -0.69 0.00 0.00 174.62 174.21 1ji8 s PRO 70 N 0.83 2.11 0.00 0.00 0.04 -1.26 -5.01 135.00 131.70 1ji8 s PRO 70 Ca 0.11 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.93 1ji8 s PRO 70 Cb -0.21 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ji8 s PRO 70 CO -0.03 -1.64 0.01 -0.35 0.04 0.00 0.00 177.00 175.03 1ji8 n PRO 71 N -3.47 0.00 -2.66 0.56 -0.04 -1.26 -4.96 135.00 123.17 1ji8 n PRO 71 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1ji8 n PRO 71 Cb 0.55 -0.21 0.11 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.03 0.00 0.02 0.52 3.06 -1.26 -4.78 119.36 116.90 1ji8 n ILE 72 Ca 0.00 -0.58 -0.00 0.00 -2.50 0.00 0.00 62.75 59.67 1ji8 n ILE 72 Cb 0.00 1.04 -0.00 0.00 0.54 0.00 0.00 39.64 41.22 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1ji8 n LYS 73 N 0.78 0.00 0.22 9.51 5.02 -1.26 -4.53 118.16 127.90 1ji8 n LYS 73 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.33 1ji8 n LYS 73 Cb 0.75 -0.50 0.46 0.00 -0.02 0.00 0.00 35.03 35.72 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1ji8 h MET 74 N -0.00 0.00 -0.18 1.97 2.86 -2.01 -2.87 114.93 114.70 1ji8 h MET 74 Ca -0.00 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 1ji8 h MET 74 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1ji8 h MET 74 CO -0.00 0.27 -0.51 0.28 1.06 0.00 0.00 176.91 178.01 1ji8 h VAL 75 N 0.00 1.32 0.00 -2.22 2.07 -1.97 -3.13 116.25 112.32 1ji8 h VAL 75 Ca -0.00 -1.75 -0.08 0.00 0.82 0.00 0.00 66.70 65.69 1ji8 h VAL 75 Cb 0.71 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1ji8 h VAL 75 CO 0.04 0.54 -0.37 0.74 0.02 0.00 0.00 177.57 178.54 1ji8 h THR 76 N 0.33 1.24 -1.06 2.57 2.02 -1.77 -2.94 112.91 113.30 1ji8 h THR 76 Ca -0.01 -1.27 0.33 0.00 0.77 0.00 0.00 66.41 66.23 1ji8 h THR 76 Cb 1.13 1.69 -0.14 0.00 -1.74 0.00 0.00 68.15 69.09 1ji8 h THR 76 CO 0.11 0.36 0.64 0.50 0.37 0.00 0.00 175.52 177.49 1ji8 h LYS 77 N 0.00 0.30 0.00 6.66 3.64 -1.45 0.25 116.57 125.97 1ji8 h LYS 77 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1ji8 h LYS 77 Cb 0.66 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ji8 h LYS 77 CO 0.05 0.20 0.00 0.39 -2.27 0.00 0.00 179.45 177.82 1ji8 n GLU 78 N -4.92 0.00 -0.32 1.90 1.02 -1.12 -4.59 120.64 112.61 1ji8 n GLU 78 Ca 0.31 0.01 0.15 0.00 -0.02 0.00 0.00 57.16 57.61 1ji8 n GLU 78 Cb 1.03 -0.20 0.31 0.00 -0.02 0.00 0.00 31.44 32.55 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1ji8 h THR 79 N 0.00 0.16 -1.23 2.62 1.35 -1.60 -3.45 112.91 110.77 1ji8 h THR 79 Ca 0.00 -0.03 -0.08 0.00 -0.55 0.00 0.00 66.41 65.75 1ji8 h THR 79 Cb 0.00 0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.49 1ji8 h THR 79 CO 0.00 0.02 -0.12 0.61 -0.25 0.00 0.00 175.52 175.78 1ji8 n GLY 80 N -1.42 0.42 3.64 5.82 0.00 0.88 -4.93 105.19 109.59 1ji8 n GLY 80 Ca 0.23 -0.61 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.53 2.28 -1.99 1.61 3.01 -1.26 -4.90 117.46 112.68 1ji8 n PHE 81 Ca -0.03 -0.21 -0.42 0.00 1.01 0.00 0.00 57.45 57.80 1ji8 n PHE 81 Cb 0.53 -2.75 -0.03 0.00 -0.01 0.00 0.00 39.48 37.22 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ji8 s SER 82 N 5.67 6.65 0.38 4.37 0.15 -1.26 -4.86 113.70 124.80 1ji8 s SER 82 Ca 0.94 2.52 0.17 0.00 0.70 0.00 0.00 55.95 60.28 1ji8 s SER 82 Cb -0.47 -2.59 1.06 0.00 -1.71 0.00 0.00 66.02 62.32 1ji8 s SER 82 CO 0.42 -0.80 1.76 0.25 1.20 0.00 0.00 173.24 176.08 1ji8 h LEU 83 N 7.15 0.49 -0.69 3.45 5.85 -2.00 0.93 115.31 130.49 1ji8 h LEU 83 Ca -0.42 0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.52 1ji8 h LEU 83 Cb 1.20 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 1ji8 h LEU 83 CO 0.91 0.09 0.23 -0.08 -0.34 0.00 0.00 178.44 179.24 1ji8 h GLU 84 N 0.43 0.36 -0.91 1.25 4.81 -2.00 0.12 114.58 118.64 1ji8 h GLU 84 Ca 0.61 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.81 1ji8 h GLU 84 Cb 1.46 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.72 1ji8 h GLU 84 CO -0.33 0.24 0.55 -0.22 -0.73 0.00 0.00 179.01 178.52 1ji8 h LYS 85 N 0.37 1.24 0.00 1.92 1.63 -1.18 -1.46 116.57 119.10 1ji8 h LYS 85 Ca 0.37 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 60.01 1ji8 h LYS 85 Cb 0.55 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1ji8 h LYS 85 CO -0.40 0.87 -0.22 0.82 -3.45 0.00 0.00 179.45 177.07 1ji8 h ILE 86 N 1.26 0.86 0.01 2.00 1.08 -0.95 -2.00 117.51 119.77 1ji8 h ILE 86 Ca 0.33 -0.85 -0.13 0.00 -0.39 0.00 0.00 64.86 63.82 1ji8 h ILE 86 Cb -0.05 1.50 0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1ji8 h ILE 86 CO -0.06 0.22 -0.51 0.22 -0.69 0.00 0.00 178.15 177.32 1ji8 h TYR 87 N 0.00 0.49 0.24 1.37 5.03 -0.23 -1.36 116.97 122.51 1ji8 h TYR 87 Ca -0.00 -0.28 -0.01 0.00 2.58 0.00 0.00 58.73 61.02 1ji8 h TYR 87 Cb 0.48 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.71 1ji8 h TYR 87 CO 0.00 1.10 -0.12 1.96 -1.32 0.00 0.00 178.16 179.79 1ji8 h GLN 88 N -0.26 -0.31 -0.41 1.82 4.20 -1.24 -0.46 115.11 118.45 1ji8 h GLN 88 Ca -0.07 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1ji8 h GLN 88 Cb 1.25 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.09 1ji8 h GLN 88 CO 0.10 -0.03 0.20 -0.07 -0.67 0.00 0.00 178.83 178.36 1ji8 h LEU 89 N -0.59 0.53 -6.84 1.46 3.38 -1.50 -3.36 115.31 108.40 1ji8 h LEU 89 Ca -0.03 -0.13 -0.61 0.00 0.09 0.00 0.00 57.88 57.20 1ji8 h LEU 89 Cb 0.43 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 40.64 1ji8 h LEU 89 CO 0.05 0.51 -0.76 0.12 0.09 0.00 0.00 178.44 178.45 1ji8 s PHE 90 N -5.72 2.14 -1.04 1.13 2.19 -0.51 -5.04 117.98 111.12 1ji8 s PHE 90 Ca -0.13 -2.62 -0.23 0.00 0.33 0.00 0.00 56.93 54.28 1ji8 s PHE 90 Cb 0.10 -1.83 -0.02 0.00 -1.31 0.00 0.00 43.02 39.97 1ji8 s PHE 90 CO 0.74 -0.73 1.80 -1.25 1.83 0.00 0.00 175.22 177.61 1ji8 s PRO 91 N -0.18 2.96 0.00 10.12 0.04 -0.18 -3.42 135.00 144.34 1ji8 s PRO 91 Ca 0.23 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1ji8 s PRO 91 Cb -0.12 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.19 1ji8 s PRO 91 CO -0.09 -3.09 0.00 0.43 0.04 0.00 0.00 177.00 174.28 1ji8 n SER 92 N 12.17 0.00 0.00 6.66 7.64 -1.26 -5.10 113.62 133.73 1ji8 n SER 92 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1ji8 n SER 92 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 3.69 0.21 0.23 0.00 -1.22 -4.98 105.19 103.12 1ji8 n GLY 93 Ca 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.88 -3.06 132.00 128.80 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 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.77 1ji8 n ALA 95 N -1.97 -0.02 1.14 -0.56 0.00 -1.26 -1.76 120.51 116.08 1ji8 n ALA 95 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1ji8 n ALA 95 Cb 0.34 0.15 0.60 0.00 0.00 0.00 0.00 19.45 20.54 1ji8 n ALA 95 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ji8 n HIS 96 N -0.91 0.00 0.00 0.00 8.25 -1.26 -3.44 115.22 117.86 1ji8 n HIS 96 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ji8 n HIS 96 Cb 0.00 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.84 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ji8 n GLY 97 N 0.71 1.42 0.64 -1.41 0.00 -0.94 -1.85 105.19 103.76 1ji8 n GLY 97 Ca 0.12 0.00 0.45 0.00 0.00 0.00 0.00 46.02 46.58 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 3.53 -0.01 4.61 0.00 -1.51 0.32 119.26 124.19 1ji8 h ALA 98 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ji8 h ALA 98 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ji8 h ALA 98 CO 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 179.25 177.12 1ji8 h LYS 100 N -0.61 0.67 -0.12 0.00 3.64 0.36 -1.10 116.57 119.41 1ji8 h LYS 100 Ca -0.01 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.13 1ji8 h LYS 100 Cb 0.76 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1ji8 h LYS 100 CO 0.01 0.50 -0.61 0.28 -2.27 0.00 0.00 179.45 177.36 1ji8 h VAL 101 N 0.67 1.33 0.00 2.00 2.07 -1.37 -3.10 116.25 117.86 1ji8 h VAL 101 Ca 0.17 -1.89 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1ji8 h VAL 101 Cb 0.04 2.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1ji8 h VAL 101 CO -0.03 0.58 -0.07 0.00 0.02 0.00 0.00 177.57 178.08 1ji8 h ALA 102 N 0.49 1.05 -0.38 1.67 0.00 -0.99 -3.45 119.26 117.65 1ji8 h ALA 102 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ji8 h ALA 102 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ji8 h ALA 102 CO 0.13 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.87 1ji8 n GLY 103 N -0.19 0.74 2.87 0.00 0.00 -0.48 -4.99 105.19 103.14 1ji8 n GLY 103 Ca -0.00 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.13 0.20 0.37 4.61 0.00 -0.80 -4.95 121.76 119.06 1ji8 s ALA 104 Ca 0.00 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.71 1ji8 s ALA 104 Cb 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.90 1ji8 s ALA 104 CO 0.00 0.00 1.12 -1.25 0.00 0.00 0.00 175.76 175.63 1ji8 s PRO 105 N 0.32 4.24 0.28 0.00 0.04 -1.26 -4.48 135.00 134.14 1ji8 s PRO 105 Ca -0.03 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.49 1ji8 s PRO 105 Cb -0.05 -2.78 -0.14 0.00 0.04 0.00 0.00 34.50 31.57 1ji8 s PRO 105 CO -0.01 -0.13 0.90 0.36 0.04 0.00 0.00 177.00 178.16 1ji8 n LYS 106 N 0.33 1.08 -1.43 4.56 2.85 -1.26 -4.92 118.16 119.37 1ji8 n LYS 106 Ca 0.03 0.38 -0.31 0.00 -1.05 0.00 0.00 58.31 57.36 1ji8 n LYS 106 Cb 0.47 -1.68 0.08 0.00 -0.65 0.00 0.00 35.03 33.25 1ji8 n LYS 106 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1ji8 s PRO 107 N -1.47 2.39 -0.28 -1.58 0.04 -1.26 -5.02 135.00 127.81 1ji8 s PRO 107 Ca 0.60 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.50 1ji8 s PRO 107 Cb -0.73 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1ji8 s PRO 107 CO 0.59 -1.49 0.15 0.99 0.04 0.00 0.00 177.00 177.29 1ji8 s THR 108 N -3.01 4.86 0.00 1.26 2.01 -1.26 -4.97 115.64 114.53 1ji8 s THR 108 Ca 0.60 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1ji8 s THR 108 Cb -0.15 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1ji8 s THR 108 CO 0.55 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 175.30 1ji8 n GLY 109 N 5.01 1.86 3.30 4.40 0.00 -1.26 -5.12 105.19 113.37 1ji8 n GLY 109 Ca -0.14 -2.16 -0.17 0.00 0.00 0.00 0.00 46.02 43.55 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32