#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 1.34 -0.09 2.12 0.04 -1.26 -5.00 135.00 132.14 1ji8 s PRO 2 Ca 0.00 0.60 0.12 0.00 0.04 0.00 0.00 61.00 61.76 1ji8 s PRO 2 Cb 0.00 -1.84 -0.18 0.00 0.04 0.00 0.00 34.50 32.53 1ji8 s PRO 2 CO 0.00 -2.13 0.13 0.28 0.04 0.00 0.00 177.00 175.32 1ji8 n VAL 3 N -3.77 0.61 -2.79 -0.36 0.31 -1.26 -5.08 118.33 105.99 1ji8 n VAL 3 Ca 0.07 -0.48 -0.03 0.00 -0.01 0.00 0.00 64.34 63.89 1ji8 n VAL 3 Cb 0.57 -0.40 -0.02 0.00 -0.91 0.00 0.00 33.84 33.08 1ji8 n VAL 3 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ji8 n LYS 4 N -2.33 -3.29 -3.69 5.55 5.02 -1.26 -4.85 118.16 113.33 1ji8 n LYS 4 Ca -0.15 2.61 -0.24 0.00 -2.02 0.00 0.00 58.31 58.50 1ji8 n LYS 4 Cb 0.75 -3.85 -0.02 0.00 -0.02 0.00 0.00 35.03 31.89 1ji8 n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ji8 s PRO 6 N -3.82 1.09 -0.26 0.00 0.04 -1.24 -4.83 135.00 125.97 1ji8 s PRO 6 Ca 0.37 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1ji8 s PRO 6 Cb -0.10 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.78 1ji8 s PRO 6 CO 0.31 -2.22 1.29 0.20 0.04 0.00 0.00 177.00 176.62 1ji8 s GLY 7 N -4.12 0.01 -0.11 0.56 0.00 -0.86 -4.97 107.32 97.83 1ji8 s GLY 7 Ca 0.64 2.63 -0.03 0.00 0.00 0.00 0.00 44.72 47.96 1ji8 s GLY 7 CO 0.53 1.06 0.01 -0.54 0.00 0.00 0.00 173.10 174.16 1ji8 s GLU 8 N -1.11 3.23 0.26 2.90 2.02 -1.26 -0.95 118.70 123.79 1ji8 s GLU 8 Ca 0.07 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1ji8 s GLU 8 Cb -0.01 -2.89 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1ji8 s GLU 8 CO -0.06 0.59 0.11 0.71 0.02 0.00 0.00 175.26 176.62 1ji8 s TYR 9 N -0.55 1.54 -0.01 1.61 2.02 -0.74 -5.00 117.35 116.22 1ji8 s TYR 9 Ca 0.10 -1.21 0.05 0.00 -0.37 0.00 0.00 57.07 55.63 1ji8 s TYR 9 Cb -0.12 -0.89 -0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1ji8 s TYR 9 CO 0.02 -0.36 -0.15 -1.14 -1.57 0.00 0.00 175.55 172.35 1ji8 s GLN 10 N -4.01 1.15 -0.35 -0.62 0.74 -1.26 -2.17 119.66 113.15 1ji8 s GLN 10 Ca 0.37 -0.55 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1ji8 s GLN 10 Cb 0.07 -1.12 0.10 0.00 1.10 0.00 0.00 33.01 33.17 1ji8 s GLN 10 CO 0.14 0.30 0.08 0.08 -0.55 0.00 0.00 175.29 175.34 1ji8 s VAL 11 N -0.40 1.96 0.00 1.34 1.01 -0.99 -4.97 120.40 118.35 1ji8 s VAL 11 Ca 0.05 -2.20 0.00 0.00 0.00 0.00 0.00 61.98 59.83 1ji8 s VAL 11 Cb -0.06 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1ji8 s VAL 11 CO -0.00 -0.64 0.00 -0.67 0.00 0.00 0.00 175.10 173.79 1ji8 n ASP 12 N 4.30 0.00 -3.14 3.32 2.03 -1.26 -2.35 116.55 119.45 1ji8 n ASP 12 Ca 0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.11 1ji8 n ASP 12 Cb 0.41 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.00 4.31 3.49 0.27 0.00 -1.26 -5.07 105.19 106.93 1ji8 n GLY 13 Ca 0.00 -2.17 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.59 0.95 -0.09 1.61 2.36 -0.99 -5.16 119.74 115.83 1ji8 s LYS 14 Ca 0.42 -0.21 0.02 0.00 -2.55 0.00 0.00 55.97 53.65 1ji8 s LYS 14 Cb 0.27 0.44 -0.02 0.00 -1.05 0.00 0.00 37.83 37.48 1ji8 s LYS 14 CO -0.10 -0.39 -0.15 0.15 1.55 0.00 0.00 175.35 176.42 1ji8 s LYS 15 N -2.74 2.99 -0.10 4.03 1.02 -1.26 -2.34 119.74 121.34 1ji8 s LYS 15 Ca 0.01 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1ji8 s LYS 15 Cb -0.01 -2.49 0.02 0.00 -0.52 0.00 0.00 37.83 34.83 1ji8 s LYS 15 CO -0.06 0.37 -0.13 0.08 -0.92 0.00 0.00 175.35 174.69 1ji8 s VAL 16 N -0.07 1.32 -0.53 3.17 1.01 -0.92 -4.96 120.40 119.42 1ji8 s VAL 16 Ca -0.03 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1ji8 s VAL 16 Cb -0.14 -1.23 0.14 0.00 0.00 0.00 0.00 36.38 35.15 1ji8 s VAL 16 CO 0.04 0.41 0.41 -0.63 0.00 0.00 0.00 175.10 175.33 1ji8 s ILE 17 N 1.11 4.39 -0.36 2.22 1.01 -1.26 -1.79 121.20 126.51 1ji8 s ILE 17 Ca -0.05 -1.96 -0.28 0.00 0.00 0.00 0.00 60.65 58.36 1ji8 s ILE 17 Cb -0.14 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1ji8 s ILE 17 CO -0.02 -0.82 1.85 -0.76 0.00 0.00 0.00 174.94 175.18 1ji8 s LEU 18 N 1.11 3.48 0.00 2.97 1.43 -0.13 -3.19 118.68 124.35 1ji8 s LEU 18 Ca 0.08 1.23 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 1ji8 s LEU 18 Cb -0.24 -3.38 0.18 0.00 0.03 0.00 0.00 46.19 42.78 1ji8 s LEU 18 CO -0.02 -1.83 0.42 -0.67 0.23 0.00 0.00 176.35 174.48 1ji8 n ASP 19 N 10.78 -3.05 0.19 2.29 2.03 -0.64 -2.02 116.55 126.13 1ji8 n ASP 19 Ca 0.23 -0.42 0.13 0.00 0.52 0.00 0.00 54.79 55.26 1ji8 n ASP 19 Cb 0.47 -0.73 0.67 0.00 -0.72 0.00 0.00 41.12 40.81 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1ji8 h GLU 20 N 0.00 0.00 -0.95 -0.67 4.11 -1.92 -2.38 114.58 112.78 1ji8 h GLU 20 Ca -0.19 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.66 1ji8 h GLU 20 Cb 0.64 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.48 1ji8 h GLU 20 CO 0.11 0.00 -0.55 -0.25 0.07 0.00 0.00 179.01 178.39 1ji8 n ASP 21 N -2.42 5.30 -3.96 3.06 9.92 -1.26 -3.84 116.55 123.35 1ji8 n ASP 21 Ca -0.01 -3.75 -0.25 0.00 -0.53 0.00 0.00 54.79 50.25 1ji8 n ASP 21 Cb 0.09 -0.46 -0.02 0.00 -0.64 0.00 0.00 41.12 40.09 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 -3.96 2.86 -0.47 0.00 5.36 -1.26 -4.81 117.98 115.70 1ji8 s PHE 23 Ca 0.01 -0.22 -0.22 0.00 -0.96 0.00 0.00 56.93 55.53 1ji8 s PHE 23 Cb -0.00 -1.41 0.03 0.00 -0.34 0.00 0.00 43.02 41.30 1ji8 s PHE 23 CO 0.89 0.49 0.75 1.41 -1.46 0.00 0.00 175.22 177.30 1ji8 s MET 24 N -3.79 3.32 0.00 10.12 1.75 -1.26 -1.63 119.30 127.81 1ji8 s MET 24 Ca 0.34 -0.29 0.19 0.00 -1.25 0.00 0.00 55.69 54.67 1ji8 s MET 24 Cb -0.06 -3.98 0.92 0.00 2.84 0.00 0.00 34.83 34.55 1ji8 s MET 24 CO 0.23 -1.16 1.62 1.04 -0.65 0.00 0.00 175.02 176.10 1ji8 n GLN 25 N 6.64 1.29 -2.68 4.11 1.13 -1.19 -3.88 117.38 122.79 1ji8 n GLN 25 Ca 0.00 -0.44 -0.18 0.00 -1.94 0.00 0.00 57.00 54.45 1ji8 n GLN 25 Cb 0.48 -1.32 0.01 0.00 0.11 0.00 0.00 30.24 29.52 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ji8 n ASN 26 N -0.34 2.72 0.09 1.08 4.13 -1.26 -4.84 115.26 116.85 1ji8 n ASN 26 Ca 0.14 -3.16 0.11 0.00 1.68 0.00 0.00 54.58 53.35 1ji8 n ASN 26 Cb 0.17 -0.52 0.45 0.00 -1.54 0.00 0.00 39.78 38.34 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1ji8 n PRO 27 N -0.18 0.16 -0.21 3.52 -0.04 -1.25 -3.15 135.00 133.85 1ji8 n PRO 27 Ca 0.23 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 64.01 1ji8 n PRO 27 Cb 0.71 -1.77 0.22 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.99 0.00 0.54 4.81 -1.93 -3.36 114.58 115.63 1ji8 h GLU 28 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1ji8 h GLU 28 Cb 0.42 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ji8 h GLU 28 CO 0.00 0.70 0.00 -0.25 -0.73 0.00 0.00 179.01 178.73 1ji8 n ASP 29 N -4.38 0.00 -1.28 1.04 9.92 -1.19 -5.09 116.55 115.57 1ji8 n ASP 29 Ca 0.08 0.10 0.14 0.00 -0.53 0.00 0.00 54.79 54.58 1ji8 n ASP 29 Cb 0.07 -0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 40.02 1ji8 n ASP 29 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1ji8 n TRP 30 N -2.31 -3.12 -3.74 1.24 -0.00 -1.21 -5.06 117.44 103.25 1ji8 n TRP 30 Ca 0.00 1.70 0.00 0.00 -0.00 0.00 0.00 57.50 59.20 1ji8 n TRP 30 Cb 0.00 -2.84 0.01 0.00 -0.00 0.00 0.00 31.31 28.47 1ji8 n TRP 30 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 177.69 174.22 1ji8 n ASP 31 N -4.17 -0.43 -0.06 5.87 -0.08 -1.26 -4.97 116.55 111.44 1ji8 n ASP 31 Ca -0.06 -1.17 -0.15 0.00 -1.51 0.00 0.00 54.79 51.90 1ji8 n ASP 31 Cb 0.59 0.69 -0.06 0.00 2.34 0.00 0.00 41.12 44.68 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ji8 h GLU 32 N 0.00 0.75 -0.09 -0.67 3.07 -1.99 -2.31 114.58 113.33 1ji8 h GLU 32 Ca -0.07 -0.51 -0.12 0.00 -0.50 0.00 0.00 59.36 58.16 1ji8 h GLU 32 Cb 0.35 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1ji8 h GLU 32 CO 0.10 1.14 -0.48 0.87 -1.40 0.00 0.00 179.01 179.23 1ji8 h LYS 33 N 0.48 0.23 0.06 2.33 1.57 -1.99 -2.25 116.57 117.01 1ji8 h LYS 33 Ca -0.00 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ji8 h LYS 33 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ji8 h LYS 33 CO 0.12 0.66 -0.03 0.28 -0.57 0.00 0.00 179.45 179.91 1ji8 h VAL 34 N 0.18 1.23 0.46 0.50 2.07 -1.92 -1.47 116.25 117.30 1ji8 h VAL 34 Ca 0.01 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1ji8 h VAL 34 Cb 0.92 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1ji8 h VAL 34 CO 0.07 0.27 -0.23 0.00 0.02 0.00 0.00 177.57 177.71 1ji8 h ALA 35 N 0.29 -0.63 -1.00 1.67 0.00 -1.43 -1.50 119.26 116.66 1ji8 h ALA 35 Ca -0.01 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1ji8 h ALA 35 Cb 0.50 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1ji8 h ALA 35 CO 0.01 -0.85 0.63 1.49 0.00 0.00 0.00 179.25 180.53 1ji8 h GLU 36 N -0.63 1.00 -0.13 0.00 4.22 -1.49 0.10 114.58 117.65 1ji8 h GLU 36 Ca -0.06 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.27 1ji8 h GLU 36 Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ji8 h GLU 36 CO 0.10 0.66 -0.16 2.35 -2.18 0.00 0.00 179.01 179.78 1ji8 h TRP 37 N 1.03 0.22 -0.19 0.92 7.01 -0.87 -1.40 115.95 122.66 1ji8 h TRP 37 Ca 0.48 -0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.35 1ji8 h TRP 37 Cb 0.42 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1ji8 h TRP 37 CO -0.00 0.36 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.65 1ji8 h LEU 38 N 0.20 0.58 -1.00 0.65 3.38 0.05 -1.47 115.31 117.70 1ji8 h LEU 38 Ca 0.04 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1ji8 h LEU 38 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ji8 h LEU 38 CO 0.02 0.99 -0.48 0.00 0.09 0.00 0.00 178.44 179.06 1ji8 h ALA 39 N 0.61 1.17 0.03 1.53 0.00 -1.20 -1.82 119.26 119.59 1ji8 h ALA 39 Ca 0.02 -0.44 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1ji8 h ALA 39 Cb 0.87 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ji8 h ALA 39 CO 0.07 0.61 -1.02 -0.09 0.00 0.00 0.00 179.25 178.82 1ji8 h ARG 40 N 0.03 0.41 0.00 0.00 2.43 -1.21 0.95 114.38 116.99 1ji8 h ARG 40 Ca -0.00 -0.48 -0.13 0.00 -0.81 0.00 0.00 59.98 58.56 1ji8 h ARG 40 Cb 0.87 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.55 1ji8 h ARG 40 CO 0.06 1.15 -0.60 0.93 -1.51 0.00 0.00 179.97 180.00 1ji8 h GLU 41 N 0.21 0.00 0.00 0.20 4.39 -1.16 -3.30 114.58 114.92 1ji8 h GLU 41 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1ji8 h GLU 41 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1ji8 h GLU 41 CO 0.18 0.60 -0.69 1.28 -1.16 0.00 0.00 179.01 179.22 1ji8 n LEU 42 N -3.39 1.45 0.00 1.33 4.32 -0.69 -4.83 117.00 115.18 1ji8 n LEU 42 Ca 0.01 0.30 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1ji8 n LEU 42 Cb 0.71 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1ji8 n LEU 42 CO 0.41 -0.35 0.00 -0.62 -1.22 0.00 0.00 177.39 175.61 1ji8 n GLU 43 N -3.99 0.00 0.00 3.23 4.71 0.11 -5.04 120.64 119.65 1ji8 n GLU 43 Ca -0.10 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1ji8 n GLU 43 Cb 0.36 -0.59 0.00 0.00 -1.01 0.00 0.00 31.44 30.19 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ji8 n GLY 44 N 2.41 -0.08 3.19 0.62 0.00 0.05 -4.95 105.19 106.43 1ji8 n GLY 44 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.28 0.32 -0.61 1.01 -1.24 -4.96 121.20 119.00 1ji8 s ILE 45 Ca 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 60.65 59.27 1ji8 s ILE 45 Cb 0.00 -2.96 0.35 0.00 0.01 0.00 0.00 42.46 39.86 1ji8 s ILE 45 CO 0.00 -0.25 1.61 -0.61 0.00 0.00 0.00 174.94 175.69 1ji8 h GLN 46 N 8.07 0.12 -3.23 2.79 4.15 -1.94 -3.39 115.11 121.68 1ji8 h GLN 46 Ca -0.20 -0.01 -0.16 0.00 0.77 0.00 0.00 58.65 59.05 1ji8 h GLN 46 Cb 1.06 -0.03 -0.24 0.00 0.21 0.00 0.00 27.48 28.49 1ji8 h GLN 46 CO 0.59 0.08 -0.44 -1.59 -1.93 0.00 0.00 178.83 175.54 1ji8 s LYS 47 N -5.82 0.36 0.10 1.69 0.00 -1.26 -5.00 119.74 109.81 1ji8 s LYS 47 Ca -0.11 0.12 -0.32 0.00 0.00 0.00 0.00 55.97 55.65 1ji8 s LYS 47 Cb 0.29 0.16 -0.11 0.00 0.00 0.00 0.00 37.83 38.17 1ji8 s LYS 47 CO 0.78 -0.07 1.80 -1.33 0.00 0.00 0.00 175.35 176.53 1ji8 n MET 48 N 2.47 2.60 -1.31 1.78 2.81 -1.26 -4.95 117.12 119.26 1ji8 n MET 48 Ca -0.16 0.95 -0.31 0.00 -1.81 0.00 0.00 57.70 56.37 1ji8 n MET 48 Cb 0.58 -2.81 0.09 0.00 -0.71 0.00 0.00 33.22 30.36 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 2.61 3.34 0.57 2.03 -4.23 -1.26 -4.79 115.64 113.90 1ji8 s THR 49 Ca 0.83 0.43 0.28 0.00 -1.18 0.00 0.00 61.69 62.05 1ji8 s THR 49 Cb -0.55 -2.97 0.39 0.00 1.34 0.00 0.00 72.50 70.71 1ji8 s THR 49 CO 0.39 -0.57 1.98 -0.33 -0.54 0.00 0.00 174.62 175.55 1ji8 h GLU 50 N -1.12 0.00 -0.13 3.99 5.08 -2.00 -0.57 114.58 119.83 1ji8 h GLU 50 Ca -0.44 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.72 1ji8 h GLU 50 Cb 1.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.50 1ji8 h GLU 50 CO 0.53 0.00 -0.69 0.93 -1.00 0.00 0.00 179.01 178.78 1ji8 h GLU 51 N 0.00 0.69 -0.11 2.33 5.08 -1.99 -2.31 114.58 118.26 1ji8 h GLU 51 Ca 0.21 -0.57 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1ji8 h GLU 51 Cb 0.99 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ji8 h GLU 51 CO -0.00 1.19 0.06 0.45 -1.00 0.00 0.00 179.01 179.70 1ji8 h HIS 52 N 0.37 0.15 -0.12 4.33 3.86 -1.45 -2.24 115.15 120.05 1ji8 h HIS 52 Ca -0.05 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.09 1ji8 h HIS 52 Cb 1.33 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 1ji8 h HIS 52 CO 0.10 0.18 -0.23 -1.49 0.86 0.00 0.00 177.93 177.36 1ji8 h TRP 53 N 0.07 0.23 0.29 2.45 -0.00 -1.55 -1.84 115.95 115.59 1ji8 h TRP 53 Ca 0.04 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.89 58.88 1ji8 h TRP 53 Cb 0.09 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.19 1ji8 h TRP 53 CO -0.04 0.43 -0.14 -0.22 -0.00 0.00 0.00 178.44 178.48 1ji8 h LYS 54 N 0.20 -0.37 -0.30 0.49 3.64 -1.04 -1.03 116.57 118.16 1ji8 h LYS 54 Ca 0.03 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1ji8 h LYS 54 Cb 0.52 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1ji8 h LYS 54 CO 0.04 -0.25 -0.07 1.25 -2.27 0.00 0.00 179.45 178.14 1ji8 h LEU 55 N -0.47 -0.28 -1.86 5.20 5.85 -1.46 0.03 115.31 122.32 1ji8 h LEU 55 Ca -0.04 0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.90 1ji8 h LEU 55 Cb 0.29 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1ji8 h LEU 55 CO 0.06 -0.10 0.38 0.58 -0.34 0.00 0.00 178.44 179.02 1ji8 h VAL 56 N 0.00 0.79 -0.12 1.05 2.07 -1.39 -1.65 116.25 117.01 1ji8 h VAL 56 Ca 0.15 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1ji8 h VAL 56 Cb 0.22 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ji8 h VAL 56 CO -0.31 0.03 -0.15 0.50 0.02 0.00 0.00 177.57 177.66 1ji8 h LYS 57 N 0.15 0.31 -0.47 1.57 3.64 0.39 -2.80 116.57 119.36 1ji8 h LYS 57 Ca 0.26 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ji8 h LYS 57 Cb 0.82 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1ji8 h LYS 57 CO -0.04 0.74 0.30 1.88 -2.27 0.00 0.00 179.45 180.06 1ji8 h TYR 58 N -0.09 0.60 -0.41 1.91 -1.99 -0.74 -2.42 116.97 113.83 1ji8 h TYR 58 Ca 0.02 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 1ji8 h TYR 58 Cb 0.69 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1ji8 h TYR 58 CO 0.09 0.39 -0.01 1.25 -0.00 0.00 0.00 178.16 179.88 1ji8 h LEU 59 N 0.64 0.71 0.21 3.88 5.85 -1.34 -3.11 115.31 122.16 1ji8 h LEU 59 Ca 0.17 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1ji8 h LEU 59 Cb -0.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 1ji8 h LEU 59 CO -0.04 0.85 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.51 1ji8 h ARG 60 N 0.55 -0.58 -0.73 1.25 9.65 -1.17 -0.39 114.38 122.96 1ji8 h ARG 60 Ca 0.11 0.04 0.21 0.00 -1.10 0.00 0.00 59.98 59.25 1ji8 h ARG 60 Cb 0.49 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.18 1ji8 h ARG 60 CO 0.02 -0.39 0.66 1.49 2.80 0.00 0.00 179.97 184.55 1ji8 h GLU 61 N -0.61 0.00 0.04 0.20 4.81 -1.53 0.77 114.58 118.27 1ji8 h GLU 61 Ca 0.01 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 1ji8 h GLU 61 Cb 0.59 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1ji8 h GLU 61 CO -0.13 0.00 -0.88 -0.92 -0.73 0.00 0.00 179.01 176.35 1ji8 h TYR 62 N 0.00 0.80 -0.01 0.92 5.03 -1.02 -3.15 116.97 119.54 1ji8 h TYR 62 Ca 0.35 -0.47 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1ji8 h TYR 62 Cb 1.66 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 39.86 1ji8 h TYR 62 CO 0.00 1.31 0.09 2.35 -1.32 0.00 0.00 178.16 180.59 1ji8 h TRP 63 N 0.07 0.00 0.13 -3.82 7.01 -0.15 -1.70 115.95 117.49 1ji8 h TRP 63 Ca -0.12 0.00 -0.25 0.00 2.11 0.00 0.00 58.89 60.63 1ji8 h TRP 63 Cb 1.58 0.00 0.03 0.00 -2.10 0.00 0.00 29.16 28.67 1ji8 h TRP 63 CO 0.14 0.00 -1.05 1.49 -2.79 0.00 0.00 178.44 176.23 1ji8 h GLU 64 N 0.00 0.48 0.89 2.65 4.22 -1.48 -0.96 114.58 120.37 1ji8 h GLU 64 Ca 0.00 -0.69 -0.04 0.00 0.08 0.00 0.00 59.36 58.71 1ji8 h GLU 64 Cb 0.19 0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1ji8 h GLU 64 CO -0.00 1.31 -0.43 1.15 -2.18 0.00 0.00 179.01 178.86 1ji8 h THR 65 N -0.01 0.00 0.00 0.32 2.02 -1.35 -3.40 112.91 110.48 1ji8 h THR 65 Ca -0.17 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 1ji8 h THR 65 Cb 1.78 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1ji8 h THR 65 CO 0.20 0.00 -1.21 0.33 0.37 0.00 0.00 175.52 175.20 1ji8 n PHE 66 N -5.49 0.00 -0.52 3.16 -0.00 -1.12 -5.08 117.46 108.40 1ji8 n PHE 66 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.30 1ji8 n PHE 66 Cb 0.47 -0.15 0.00 0.00 -0.00 0.00 0.00 39.48 39.80 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 3.00 0.40 2.00 7.13 0.00 -0.37 -5.01 105.19 112.34 1ji8 n GLY 67 Ca -0.06 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.40 1ji8 n GLY 67 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1ji8 n THR 68 N -0.32 0.00 -3.47 2.61 5.66 -1.26 -4.96 114.28 112.53 1ji8 n THR 68 Ca 0.00 -0.36 -0.43 0.00 -3.05 0.00 0.00 64.05 60.21 1ji8 n THR 68 Cb 0.15 0.44 -0.09 0.00 -1.55 0.00 0.00 70.33 69.28 1ji8 n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ji8 s PRO 70 N 1.58 4.12 0.97 0.00 0.04 -1.26 -5.04 135.00 135.40 1ji8 s PRO 70 Ca 0.04 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 1ji8 s PRO 70 Cb -0.23 -2.62 0.24 0.00 0.04 0.00 0.00 34.50 31.92 1ji8 s PRO 70 CO 0.06 -0.22 0.99 -0.35 0.04 0.00 0.00 177.00 177.52 1ji8 n PRO 71 N 0.03 -2.24 -2.25 0.56 -0.04 -1.26 -4.93 135.00 124.87 1ji8 n PRO 71 Ca 0.05 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.53 1ji8 n PRO 71 Cb 0.48 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1ji8 n PRO 71 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1ji8 n ILE 72 N -4.18 5.29 0.00 0.52 2.08 -1.26 -4.37 119.36 117.43 1ji8 n ILE 72 Ca 0.13 -4.79 0.00 0.00 0.56 0.00 0.00 62.75 58.65 1ji8 n ILE 72 Cb 0.49 -2.02 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1ji8 n LYS 73 N 1.68 0.00 -0.10 0.38 5.02 -1.26 -4.66 118.16 119.22 1ji8 n LYS 73 Ca 0.53 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.74 1ji8 n LYS 73 Cb 0.27 -0.23 0.09 0.00 -0.02 0.00 0.00 35.03 35.15 1ji8 n LYS 73 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1ji8 h MET 74 N 0.00 0.81 0.42 1.97 4.05 -1.98 -2.75 114.93 117.46 1ji8 h MET 74 Ca 0.00 -0.30 -0.02 0.00 -0.28 0.00 0.00 59.70 59.10 1ji8 h MET 74 Cb 0.44 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1ji8 h MET 74 CO 0.00 0.92 -0.20 0.28 0.23 0.00 0.00 176.91 178.14 1ji8 h VAL 75 N 0.72 0.52 -0.49 -5.77 2.07 -1.88 -2.74 116.25 108.68 1ji8 h VAL 75 Ca 0.11 -0.44 0.14 0.00 0.82 0.00 0.00 66.70 67.33 1ji8 h VAL 75 Cb 0.67 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ji8 h VAL 75 CO 0.05 0.07 0.46 0.74 0.02 0.00 0.00 177.57 178.92 1ji8 h THR 76 N -0.85 0.44 -0.95 2.57 2.02 -1.82 -0.91 112.91 113.41 1ji8 h THR 76 Ca -0.06 0.00 0.24 0.00 0.77 0.00 0.00 66.41 67.36 1ji8 h THR 76 Cb 0.55 0.64 -0.13 0.00 -1.74 0.00 0.00 68.15 67.48 1ji8 h THR 76 CO 0.10 0.00 0.48 0.50 0.37 0.00 0.00 175.52 176.97 1ji8 h LYS 77 N 0.00 0.45 -0.13 6.66 1.63 -1.17 -2.92 116.57 121.10 1ji8 h LYS 77 Ca 0.23 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.82 1ji8 h LYS 77 Cb 1.16 -0.10 -0.35 0.00 -0.60 0.00 0.00 32.23 32.34 1ji8 h LYS 77 CO -0.00 0.30 -0.99 0.39 -3.45 0.00 0.00 179.45 175.69 1ji8 n GLU 78 N -4.99 0.72 0.00 1.90 1.02 -0.47 -4.81 120.64 114.01 1ji8 n GLU 78 Ca 0.25 -2.58 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 1ji8 n GLU 78 Cb 0.71 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.49 1ji8 n GLU 78 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ji8 n THR 79 N 0.02 0.00 -1.26 2.62 -1.04 -0.47 -5.01 114.28 109.14 1ji8 n THR 79 Ca 0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 1ji8 n THR 79 Cb 1.01 0.12 -0.04 0.00 -1.82 0.00 0.00 70.33 69.61 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 2.15 1.03 4.00 3.41 0.00 -1.21 -4.99 105.19 109.58 1ji8 n GLY 80 Ca 0.00 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.32 2.39 -0.00 1.61 0.40 -1.26 -5.09 117.98 113.71 1ji8 s PHE 81 Ca 0.00 -0.31 -0.07 0.00 -0.60 0.00 0.00 56.93 55.95 1ji8 s PHE 81 Cb 0.00 -2.56 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1ji8 s PHE 81 CO 0.00 -0.90 0.14 0.45 0.70 0.00 0.00 175.22 175.61 1ji8 s SER 82 N -4.49 0.01 0.56 1.36 0.15 -1.26 -4.74 113.70 105.29 1ji8 s SER 82 Ca 0.59 -0.16 0.24 0.00 0.70 0.00 0.00 55.95 57.32 1ji8 s SER 82 Cb -0.09 0.22 1.54 0.00 -1.71 0.00 0.00 66.02 65.98 1ji8 s SER 82 CO 0.38 -0.34 2.15 0.25 1.20 0.00 0.00 173.24 176.88 1ji8 h LEU 83 N 4.44 0.00 0.20 3.45 5.85 -2.00 -2.43 115.31 124.82 1ji8 h LEU 83 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1ji8 h LEU 83 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1ji8 h LEU 83 CO 0.41 0.00 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.08 1ji8 h GLU 84 N 0.00 -0.25 -0.47 1.25 4.39 -1.99 -0.90 114.58 116.61 1ji8 h GLU 84 Ca 0.05 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.83 1ji8 h GLU 84 Cb 0.23 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1ji8 h GLU 84 CO -0.00 -0.07 0.32 0.87 -1.16 0.00 0.00 179.01 178.97 1ji8 h LYS 85 N -0.39 0.38 0.00 2.33 1.57 -1.86 -0.23 116.57 118.37 1ji8 h LYS 85 Ca -0.03 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1ji8 h LYS 85 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1ji8 h LYS 85 CO 0.04 0.25 -0.62 0.82 -0.57 0.00 0.00 179.45 179.38 1ji8 h ILE 86 N 0.39 1.34 -0.10 1.86 2.04 -1.30 -2.19 117.51 119.56 1ji8 h ILE 86 Ca 0.20 -2.18 -0.19 0.00 1.00 0.00 0.00 64.86 63.70 1ji8 h ILE 86 Cb 0.31 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1ji8 h ILE 86 CO -0.05 0.60 -0.71 0.22 0.00 0.00 0.00 178.15 178.21 1ji8 h TYR 87 N 0.00 0.63 0.02 1.37 3.20 0.36 -1.58 116.97 120.97 1ji8 h TYR 87 Ca -0.01 -0.27 -0.25 0.00 3.14 0.00 0.00 58.73 61.34 1ji8 h TYR 87 Cb 1.16 -0.10 0.02 0.00 1.54 0.00 0.00 36.73 39.35 1ji8 h TYR 87 CO 0.00 1.03 -1.00 0.37 -1.64 0.00 0.00 178.16 176.92 1ji8 h GLN 88 N 0.33 0.64 -0.41 1.82 5.75 -1.34 -3.29 115.11 118.60 1ji8 h GLN 88 Ca -0.03 -0.72 -0.15 0.00 -0.15 0.00 0.00 58.65 57.61 1ji8 h GLN 88 Cb 1.29 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 30.04 1ji8 h GLN 88 CO 0.13 1.30 -0.32 -0.07 -2.65 0.00 0.00 178.83 177.22 1ji8 h LEU 89 N 0.28 0.97 -7.97 -2.39 3.38 -1.43 -3.41 115.31 104.74 1ji8 h LEU 89 Ca -0.13 -0.41 -0.66 0.00 0.09 0.00 0.00 57.88 56.77 1ji8 h LEU 89 Cb 1.67 -0.27 -0.36 0.00 0.09 0.00 0.00 40.66 41.79 1ji8 h LEU 89 CO 0.20 1.19 -0.83 0.12 0.09 0.00 0.00 178.44 179.21 1ji8 s PHE 90 N -4.50 2.89 -1.22 1.13 2.19 -0.60 -4.97 117.98 112.91 1ji8 s PHE 90 Ca -0.11 -1.86 0.20 0.00 0.33 0.00 0.00 56.93 55.50 1ji8 s PHE 90 Cb 0.12 -1.89 0.95 0.00 -1.31 0.00 0.00 43.02 40.90 1ji8 s PHE 90 CO 0.87 -0.82 1.65 -0.35 1.83 0.00 0.00 175.22 178.40 1ji8 n PRO 91 N 4.57 0.15 -0.78 10.12 -0.04 -1.26 -2.73 135.00 145.03 1ji8 n PRO 91 Ca -0.18 0.12 0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1ji8 n PRO 91 Cb 0.47 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.76 1ji8 n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ji8 n SER 92 N -1.39 4.85 -1.44 3.54 2.88 -1.26 -5.06 113.62 115.74 1ji8 n SER 92 Ca 0.07 -3.06 0.17 0.00 -1.33 0.00 0.00 58.87 54.72 1ji8 n SER 92 Cb 0.20 -0.65 -0.09 0.00 -0.75 0.00 0.00 64.21 62.91 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ji8 n GLY 93 N 0.03 -3.20 0.17 0.46 0.00 -1.10 -4.21 105.19 97.33 1ji8 n GLY 93 Ca 0.29 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.44 0.00 0.00 1.61 0.13 -1.86 -3.09 132.00 127.35 1ji8 h PRO 94 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1ji8 h PRO 94 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1ji8 h PRO 94 CO 0.07 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.84 1ji8 n ALA 95 N -1.90 0.00 1.47 -0.56 0.00 -1.26 -3.00 120.51 115.26 1ji8 n ALA 95 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1ji8 n ALA 95 Cb 0.32 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.51 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 0.00 0.00 0.00 0.00 8.25 -1.26 -3.48 115.22 118.73 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 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 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 0.82 0.71 0.51 -1.41 0.00 -1.17 -1.81 105.19 102.85 1ji8 n GLY 97 Ca 0.16 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.57 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 2.93 0.62 4.61 0.00 -1.73 -0.69 119.26 122.99 1ji8 h ALA 98 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ji8 h ALA 98 Cb 0.00 0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ji8 h ALA 98 CO 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 179.25 177.46 1ji8 h LYS 100 N -0.99 0.59 0.83 0.00 3.64 -0.36 0.15 116.57 120.43 1ji8 h LYS 100 Ca -0.08 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1ji8 h LYS 100 Cb 0.63 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1ji8 h LYS 100 CO 0.14 0.39 -0.45 0.28 -2.27 0.00 0.00 179.45 177.54 1ji8 h VAL 101 N 0.60 0.09 0.00 2.00 2.07 -1.24 -1.96 116.25 117.81 1ji8 h VAL 101 Ca 0.55 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.07 1ji8 h VAL 101 Cb 1.08 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1ji8 h VAL 101 CO -0.31 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.28 1ji8 n ALA 102 N -2.66 1.90 -1.29 1.67 0.00 -0.82 -4.86 120.51 114.45 1ji8 n ALA 102 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1ji8 n ALA 102 Cb 0.48 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 0.22 -0.48 2.51 0.00 0.00 0.46 -4.96 105.19 102.94 1ji8 n GLY 103 Ca 0.07 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.97 1.12 1.07 4.61 0.00 -0.78 -4.96 121.76 121.84 1ji8 s ALA 104 Ca 0.00 -1.94 -0.16 0.00 0.00 0.00 0.00 51.96 49.86 1ji8 s ALA 104 Cb 0.00 -1.64 0.22 0.00 0.00 0.00 0.00 23.12 21.70 1ji8 s ALA 104 CO 0.00 -2.07 1.14 -1.25 0.00 0.00 0.00 175.76 173.58 1ji8 s PRO 105 N 1.01 -0.13 -0.21 0.00 0.04 -1.26 -4.54 135.00 129.92 1ji8 s PRO 105 Ca 0.17 0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 1ji8 s PRO 105 Cb -0.23 -1.71 0.08 0.00 0.04 0.00 0.00 34.50 32.68 1ji8 s PRO 105 CO -0.01 -3.02 0.14 0.15 0.04 0.00 0.00 177.00 174.30 1ji8 s LYS 106 N -5.34 0.13 -0.16 4.56 1.02 -1.26 -4.92 119.74 113.77 1ji8 s LYS 106 Ca 0.69 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 1ji8 s LYS 106 Cb -0.12 -1.48 -0.02 0.00 -0.52 0.00 0.00 37.83 35.68 1ji8 s LYS 106 CO 0.55 -0.74 1.41 -1.25 -0.92 0.00 0.00 175.35 174.40 1ji8 s PRO 107 N 2.20 4.13 -0.02 -1.68 0.04 -1.26 -4.86 135.00 133.55 1ji8 s PRO 107 Ca 0.05 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.86 1ji8 s PRO 107 Cb -0.16 -3.86 0.04 0.00 0.04 0.00 0.00 34.50 30.55 1ji8 s PRO 107 CO -0.16 -0.86 0.95 -2.37 0.04 0.00 0.00 177.00 174.61 1ji8 n THR 108 N 5.62 0.96 0.00 1.26 5.66 -1.26 -5.11 114.28 121.40 1ji8 n THR 108 Ca 0.15 -1.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1ji8 n THR 108 Cb 0.45 0.47 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1ji8 n THR 108 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ji8 n GLY 109 N -0.54 -0.06 1.69 1.09 0.00 -1.26 -4.65 105.19 101.46 1ji8 n GLY 109 Ca 0.02 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 43.88 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32