#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 4.20 0.16 0.03 0.04 -1.26 -5.05 135.00 133.11 1ji8 s PRO 2 Ca 0.00 1.80 0.10 0.00 0.04 0.00 0.00 61.00 62.94 1ji8 s PRO 2 Cb 0.00 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1ji8 s PRO 2 CO 0.00 -0.18 -0.23 0.14 0.04 0.00 0.00 177.00 176.77 1ji8 s VAL 3 N -1.39 2.08 -0.23 -0.36 -7.23 -1.26 -5.14 120.40 106.88 1ji8 s VAL 3 Ca 0.54 -1.85 -0.30 0.00 -1.81 0.00 0.00 61.98 58.56 1ji8 s VAL 3 Cb -0.30 -1.92 0.16 0.00 0.56 0.00 0.00 36.38 34.88 1ji8 s VAL 3 CO 0.38 -0.11 1.21 -0.75 -0.31 0.00 0.00 175.10 175.52 1ji8 s LYS 4 N -2.42 0.28 0.24 4.82 2.36 -1.26 -5.18 119.74 118.59 1ji8 s LYS 4 Ca 0.15 0.03 0.08 0.00 -2.55 0.00 0.00 55.97 53.69 1ji8 s LYS 4 Cb -0.08 0.13 -0.05 0.00 -1.05 0.00 0.00 37.83 36.78 1ji8 s LYS 4 CO 0.07 -0.09 -0.12 0.00 1.55 0.00 0.00 175.35 176.76 1ji8 s PRO 6 N -3.66 4.22 -0.17 0.00 0.04 -1.24 -4.67 135.00 129.52 1ji8 s PRO 6 Ca 0.26 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 1ji8 s PRO 6 Cb 0.00 -2.62 0.14 0.00 0.04 0.00 0.00 34.50 32.06 1ji8 s PRO 6 CO 0.10 -0.10 1.09 0.20 0.04 0.00 0.00 177.00 178.33 1ji8 s GLY 7 N -1.48 -0.22 -0.07 0.56 0.00 -0.52 -4.99 107.32 100.60 1ji8 s GLY 7 Ca 0.56 2.02 -0.03 0.00 0.00 0.00 0.00 44.72 47.27 1ji8 s GLY 7 CO 0.29 0.90 0.08 -0.54 0.00 0.00 0.00 173.10 173.83 1ji8 s GLU 8 N -1.50 3.17 -0.02 2.90 2.02 -1.26 -1.60 118.70 122.41 1ji8 s GLU 8 Ca 0.03 -0.34 -0.19 0.00 0.02 0.00 0.00 54.97 54.48 1ji8 s GLU 8 Cb -0.01 -2.95 0.04 0.00 0.10 0.00 0.00 34.13 31.31 1ji8 s GLU 8 CO -0.02 0.71 0.41 0.71 0.02 0.00 0.00 175.26 177.09 1ji8 s TYR 9 N -1.04 -0.31 -0.22 1.61 2.02 -0.87 -5.02 117.35 113.52 1ji8 s TYR 9 Ca 0.17 0.50 -0.08 0.00 -0.37 0.00 0.00 57.07 57.29 1ji8 s TYR 9 Cb -0.12 0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.59 1ji8 s TYR 9 CO 0.07 -0.46 0.08 -0.65 -1.57 0.00 0.00 175.55 173.02 1ji8 s GLN 10 N -1.34 3.85 -0.26 -0.62 -0.21 -1.26 -1.59 119.66 118.22 1ji8 s GLN 10 Ca -0.13 -0.39 -0.08 0.00 0.02 0.00 0.00 55.36 54.78 1ji8 s GLN 10 Cb -0.04 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.64 1ji8 s GLN 10 CO 0.06 0.05 0.09 0.08 -2.12 0.00 0.00 175.29 173.44 1ji8 s VAL 11 N 1.01 4.37 0.00 1.09 1.01 -0.88 -4.90 120.40 122.10 1ji8 s VAL 11 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ji8 s VAL 11 Cb -0.14 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1ji8 s VAL 11 CO 0.03 0.27 0.00 0.47 0.00 0.00 0.00 175.10 175.87 1ji8 n ASP 12 N 4.93 0.00 -2.69 3.32 8.00 -1.26 -1.66 116.55 127.19 1ji8 n ASP 12 Ca -0.16 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.25 1ji8 n ASP 12 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.64 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ji8 n GLY 13 N 0.00 1.61 3.27 0.44 0.00 -1.26 -5.10 105.19 104.15 1ji8 n GLY 13 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.85 0.95 -0.31 1.61 2.47 -0.67 -5.14 119.74 115.81 1ji8 s LYS 14 Ca 0.27 -0.73 -0.09 0.00 -1.56 0.00 0.00 55.97 53.86 1ji8 s LYS 14 Cb 0.45 0.41 -0.01 0.00 -1.46 0.00 0.00 37.83 37.22 1ji8 s LYS 14 CO 0.02 -0.34 0.15 0.21 0.16 0.00 0.00 175.35 175.55 1ji8 s LYS 15 N -3.55 3.32 -0.17 4.03 2.20 -1.26 -2.07 119.74 122.24 1ji8 s LYS 15 Ca 0.02 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.85 1ji8 s LYS 15 Cb 0.02 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.76 1ji8 s LYS 15 CO -0.10 -0.42 0.00 0.08 -0.36 0.00 0.00 175.35 174.55 1ji8 s VAL 16 N 1.61 4.21 -0.23 4.02 1.01 -0.62 -4.89 120.40 125.51 1ji8 s VAL 16 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1ji8 s VAL 16 Cb -0.17 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.36 1ji8 s VAL 16 CO 0.06 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 1ji8 s ILE 17 N 0.39 2.80 -0.42 2.22 1.09 -1.26 -2.04 121.20 123.99 1ji8 s ILE 17 Ca -0.01 -0.94 -0.18 0.00 -1.10 0.00 0.00 60.65 58.41 1ji8 s ILE 17 Cb -0.14 -2.37 0.02 0.00 -1.06 0.00 0.00 42.46 38.91 1ji8 s ILE 17 CO 0.02 0.28 0.50 -0.76 -0.10 0.00 0.00 174.94 174.88 1ji8 s LEU 18 N 1.34 4.71 0.00 2.97 1.43 -0.63 -3.06 118.68 125.44 1ji8 s LEU 18 Ca 0.02 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1ji8 s LEU 18 Cb -0.16 -2.50 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1ji8 s LEU 18 CO -0.06 -0.62 0.00 -0.67 0.23 0.00 0.00 176.35 175.23 1ji8 n ASP 19 N 5.79 -0.08 -4.76 2.29 2.03 -0.80 -1.44 116.55 119.59 1ji8 n ASP 19 Ca -0.06 -0.13 -0.41 0.00 0.52 0.00 0.00 54.79 54.71 1ji8 n ASP 19 Cb 0.48 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.86 1ji8 n ASP 19 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ji8 s GLU 20 N -0.51 4.24 -1.20 -0.67 0.41 -1.26 -2.31 118.70 117.40 1ji8 s GLU 20 Ca 0.00 2.36 -0.00 0.00 -0.41 0.00 0.00 54.97 56.92 1ji8 s GLU 20 Cb 0.00 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 1ji8 s GLU 20 CO 0.00 -0.40 0.03 -3.47 -0.49 0.00 0.00 175.26 170.93 1ji8 n ASP 21 N 1.55 -4.38 -3.61 -0.19 2.03 -1.26 -2.95 116.55 107.75 1ji8 n ASP 21 Ca 0.04 -0.03 -0.20 0.00 0.52 0.00 0.00 54.79 55.12 1ji8 n ASP 21 Cb 0.40 -3.51 0.05 0.00 -0.72 0.00 0.00 41.12 37.34 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 -3.57 3.12 -0.44 0.00 0.40 -1.15 -4.79 117.98 111.54 1ji8 s PHE 23 Ca 0.02 -0.30 -0.32 0.00 -0.60 0.00 0.00 56.93 55.73 1ji8 s PHE 23 Cb -0.01 -3.13 -0.11 0.00 0.51 0.00 0.00 43.02 40.29 1ji8 s PHE 23 CO 0.79 -0.80 2.31 -1.33 0.70 0.00 0.00 175.22 176.89 1ji8 n MET 24 N 5.88 1.04 -1.35 0.44 2.81 -1.26 -1.90 117.12 122.78 1ji8 n MET 24 Ca -0.05 0.22 -0.22 0.00 -1.81 0.00 0.00 57.70 55.83 1ji8 n MET 24 Cb 0.47 -2.65 0.11 0.00 -0.71 0.00 0.00 33.22 30.44 1ji8 n MET 24 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1ji8 n GLN 25 N 8.48 2.63 -2.93 0.03 -0.06 -1.17 -4.25 117.38 120.10 1ji8 n GLN 25 Ca 0.42 -3.46 -0.14 0.00 -2.00 0.00 0.00 57.00 51.82 1ji8 n GLN 25 Cb 0.30 -2.14 0.01 0.00 -4.06 0.00 0.00 30.24 24.35 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1ji8 n ASN 26 N -0.95 -1.53 0.00 1.69 6.94 -1.26 -4.92 115.26 115.22 1ji8 n ASN 26 Ca 0.49 -3.12 0.10 0.00 -0.02 0.00 0.00 54.58 52.03 1ji8 n ASN 26 Cb 0.98 0.83 0.47 0.00 -2.36 0.00 0.00 39.78 39.69 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 1.34 0.17 -0.00 -0.53 -0.04 -1.26 -2.85 135.00 131.82 1ji8 n PRO 27 Ca 0.14 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.55 1ji8 n PRO 27 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 0.19 -0.00 0.54 4.81 -1.92 -3.28 114.58 114.92 1ji8 h GLU 28 Ca 0.00 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1ji8 h GLU 28 Cb 0.25 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ji8 h GLU 28 CO 0.00 1.12 -0.11 -0.25 -0.73 0.00 0.00 179.01 179.04 1ji8 n ASP 29 N -4.33 0.48 -4.63 1.04 8.00 -1.20 -4.90 116.55 111.00 1ji8 n ASP 29 Ca -0.12 -0.58 -0.35 0.00 0.71 0.00 0.00 54.79 54.45 1ji8 n ASP 29 Cb 0.67 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.95 0.82 -2.29 1.24 -0.00 -1.13 -4.89 117.44 110.25 1ji8 n TRP 30 Ca 0.14 0.39 0.00 0.00 -0.00 0.00 0.00 57.50 58.04 1ji8 n TRP 30 Cb 0.28 -2.09 0.00 0.00 -0.00 0.00 0.00 31.31 29.49 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 -1.97 0.00 0.06 5.87 -0.08 -1.26 -5.00 116.55 114.17 1ji8 n ASP 31 Ca 0.13 -0.01 -0.09 0.00 -1.51 0.00 0.00 54.79 53.32 1ji8 n ASP 31 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.90 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ji8 h GLU 32 N 0.00 -0.24 -0.99 -0.67 4.22 -1.99 -2.29 114.58 112.61 1ji8 h GLU 32 Ca 0.00 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.53 1ji8 h GLU 32 Cb 0.00 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.24 1ji8 h GLU 32 CO 0.00 0.09 0.64 -0.22 -2.18 0.00 0.00 179.01 177.34 1ji8 h LYS 33 N -0.97 1.11 -0.07 1.92 3.64 -1.99 -1.91 116.57 118.30 1ji8 h LYS 33 Ca -0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1ji8 h LYS 33 Cb 0.44 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ji8 h LYS 33 CO 0.04 0.74 0.02 0.28 -2.27 0.00 0.00 179.45 178.26 1ji8 h VAL 34 N 1.15 1.18 -0.32 2.00 2.07 -1.93 -1.99 116.25 118.40 1ji8 h VAL 34 Ca 0.43 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.45 1ji8 h VAL 34 Cb 0.19 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1ji8 h VAL 34 CO -0.18 0.16 0.02 0.00 0.02 0.00 0.00 177.57 177.59 1ji8 h ALA 35 N 0.81 0.30 0.54 1.67 0.00 -0.96 -1.69 119.26 119.93 1ji8 h ALA 35 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ji8 h ALA 35 Cb 0.23 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ji8 h ALA 35 CO -0.00 -0.38 -0.39 1.49 0.00 0.00 0.00 179.25 179.96 1ji8 h GLU 36 N 0.12 -0.87 -1.06 0.00 4.81 -1.28 -1.54 114.58 114.76 1ji8 h GLU 36 Ca 0.15 0.06 0.29 0.00 -0.13 0.00 0.00 59.36 59.73 1ji8 h GLU 36 Cb 0.19 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1ji8 h GLU 36 CO -0.24 -0.58 0.73 2.35 -0.73 0.00 0.00 179.01 180.54 1ji8 h TRP 37 N -0.91 0.25 0.52 0.92 7.01 -1.12 -1.84 115.95 120.78 1ji8 h TRP 37 Ca -0.06 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 1ji8 h TRP 37 Cb 0.76 -0.07 0.01 0.00 -2.10 0.00 0.00 29.16 27.75 1ji8 h TRP 37 CO -0.15 0.03 -0.25 1.25 -2.79 0.00 0.00 178.44 176.53 1ji8 h LEU 38 N 0.15 -0.59 -0.71 0.65 6.46 -0.35 -0.36 115.31 120.56 1ji8 h LEU 38 Ca 0.54 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.48 1ji8 h LEU 38 Cb 1.84 0.15 -0.12 0.00 -0.73 0.00 0.00 40.66 41.80 1ji8 h LEU 38 CO -0.11 -0.27 0.06 0.00 -0.62 0.00 0.00 178.44 177.50 1ji8 h ALA 39 N -1.37 0.79 -0.17 1.25 0.00 -0.78 0.38 119.26 119.37 1ji8 h ALA 39 Ca -0.07 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ji8 h ALA 39 Cb 0.54 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1ji8 h ALA 39 CO 0.12 -0.39 -0.17 -0.09 0.00 0.00 0.00 179.25 178.71 1ji8 h ARG 40 N 0.15 0.28 -0.23 0.00 2.43 -1.38 -0.74 114.38 114.88 1ji8 h ARG 40 Ca 0.39 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.42 1ji8 h ARG 40 Cb 0.67 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1ji8 h ARG 40 CO -0.58 0.46 -0.11 1.49 -1.51 0.00 0.00 179.97 179.71 1ji8 h GLU 41 N 0.26 0.38 0.00 0.20 4.81 0.15 -3.26 114.58 117.13 1ji8 h GLU 41 Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ji8 h GLU 41 Cb 0.47 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ji8 h GLU 41 CO 0.03 0.50 0.00 -0.11 -0.73 0.00 0.00 179.01 178.70 1ji8 n LEU 42 N -4.24 0.46 0.00 1.64 7.94 -0.70 -4.90 117.00 117.20 1ji8 n LEU 42 Ca 0.00 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1ji8 n LEU 42 Cb 0.29 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.92 1ji8 n LEU 42 CO 0.39 -0.32 0.00 -0.62 -1.11 0.00 0.00 177.39 175.73 1ji8 n GLU 43 N -1.85 0.00 0.00 1.96 1.02 -0.33 -5.06 120.64 116.38 1ji8 n GLU 43 Ca 0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ji8 n GLU 43 Cb 0.00 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 2.30 -0.33 3.53 0.62 0.00 -1.05 -4.92 105.19 105.35 1ji8 n GLY 44 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 5.14 0.55 -0.61 1.01 -1.26 -4.92 121.20 121.12 1ji8 s ILE 45 Ca 0.00 -0.03 0.39 0.00 0.00 0.00 0.00 60.65 61.01 1ji8 s ILE 45 Cb 0.00 -3.88 0.57 0.00 0.01 0.00 0.00 42.46 39.17 1ji8 s ILE 45 CO 0.00 -0.17 1.74 -0.61 0.00 0.00 0.00 174.94 175.89 1ji8 h GLN 46 N 8.52 0.00 -1.11 2.79 4.15 -1.98 -3.42 115.11 124.06 1ji8 h GLN 46 Ca -0.29 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.33 1ji8 h GLN 46 Cb 1.13 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.50 1ji8 h GLN 46 CO 0.72 0.00 0.72 0.15 -1.93 0.00 0.00 178.83 178.49 1ji8 s LYS 47 N -4.88 0.08 -0.04 1.69 1.02 -1.26 -5.12 119.74 111.23 1ji8 s LYS 47 Ca -0.05 0.13 -0.39 0.00 0.02 0.00 0.00 55.97 55.68 1ji8 s LYS 47 Cb 0.23 0.02 -0.18 0.00 -0.52 0.00 0.00 37.83 37.37 1ji8 s LYS 47 CO 0.79 -0.02 1.29 -1.33 -0.92 0.00 0.00 175.35 175.17 1ji8 n MET 48 N 3.06 0.56 -2.44 1.68 2.81 -1.26 -4.94 117.12 116.60 1ji8 n MET 48 Ca -0.17 0.20 -0.25 0.00 -1.81 0.00 0.00 57.70 55.67 1ji8 n MET 48 Cb 0.56 -1.78 0.13 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.82 2.06 0.09 2.03 -4.23 -1.26 -4.88 115.64 110.27 1ji8 s THR 49 Ca 0.90 -0.46 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 1ji8 s THR 49 Cb -1.15 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 70.01 1ji8 s THR 49 CO 0.56 0.00 1.46 -0.08 -0.54 0.00 0.00 174.62 176.03 1ji8 h GLU 50 N -0.84 0.61 -0.84 3.99 4.81 -2.00 -2.39 114.58 117.91 1ji8 h GLU 50 Ca -0.38 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 58.58 1ji8 h GLU 50 Cb 1.25 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.58 1ji8 h GLU 50 CO 0.38 0.84 0.47 0.93 -0.73 0.00 0.00 179.01 180.89 1ji8 h GLU 51 N 0.36 1.17 0.42 1.92 5.08 -1.99 -1.73 114.58 119.81 1ji8 h GLU 51 Ca 0.07 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1ji8 h GLU 51 Cb 0.65 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1ji8 h GLU 51 CO 0.04 0.85 -0.20 0.45 -1.00 0.00 0.00 179.01 179.15 1ji8 h HIS 52 N 1.18 -0.52 -1.07 4.33 3.86 -1.92 -2.30 115.15 118.71 1ji8 h HIS 52 Ca 0.30 -0.01 0.30 0.00 -1.16 0.00 0.00 60.37 59.80 1ji8 h HIS 52 Cb 0.02 0.17 -0.12 0.00 1.06 0.00 0.00 27.41 28.54 1ji8 h HIS 52 CO 0.01 -0.32 0.66 -1.49 0.86 0.00 0.00 177.93 177.64 1ji8 h TRP 53 N -0.70 0.79 0.76 2.45 -0.00 -1.43 -0.70 115.95 117.11 1ji8 h TRP 53 Ca -0.06 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.82 1ji8 h TRP 53 Cb 0.43 -0.22 0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1ji8 h TRP 53 CO 0.08 -0.04 -0.36 0.87 -0.00 0.00 0.00 178.44 178.98 1ji8 h LYS 54 N 0.37 -0.98 -0.24 0.49 6.56 -1.20 -1.55 116.57 120.03 1ji8 h LYS 54 Ca 0.68 0.07 0.06 0.00 -1.06 0.00 0.00 60.65 60.39 1ji8 h LYS 54 Cb 1.66 0.22 -0.07 0.00 -0.57 0.00 0.00 32.23 33.47 1ji8 h LYS 54 CO -0.43 -0.65 -0.31 -0.07 -2.06 0.00 0.00 179.45 175.93 1ji8 h LEU 55 N -1.04 -0.98 -1.62 2.94 4.07 -0.56 0.14 115.31 118.27 1ji8 h LEU 55 Ca -0.10 0.16 0.18 0.00 0.08 0.00 0.00 57.88 58.20 1ji8 h LEU 55 Cb 0.79 0.44 -0.05 0.00 1.08 0.00 0.00 40.66 42.91 1ji8 h LEU 55 CO 0.17 -0.33 0.55 0.58 -1.08 0.00 0.00 178.44 178.33 1ji8 h VAL 56 N -0.32 0.71 0.51 1.22 2.07 -1.34 -2.23 116.25 116.87 1ji8 h VAL 56 Ca 0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ji8 h VAL 56 Cb 0.53 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ji8 h VAL 56 CO -0.42 0.06 -0.24 0.50 0.02 0.00 0.00 177.57 177.49 1ji8 h LYS 57 N 0.34 -0.66 -1.14 1.57 3.64 0.30 -1.83 116.57 118.80 1ji8 h LYS 57 Ca 0.41 0.04 0.34 0.00 -1.27 0.00 0.00 60.65 60.18 1ji8 h LYS 57 Cb 1.09 0.15 -0.12 0.00 -0.41 0.00 0.00 32.23 32.94 1ji8 h LYS 57 CO -0.13 -0.44 0.72 1.88 -2.27 0.00 0.00 179.45 179.21 1ji8 h TYR 58 N -1.02 0.66 -0.07 1.91 -1.99 -0.92 0.14 116.97 115.69 1ji8 h TYR 58 Ca -0.07 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1ji8 h TYR 58 Cb 0.52 -0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.07 1ji8 h TYR 58 CO 0.02 -0.10 -0.07 1.25 -0.00 0.00 0.00 178.16 179.27 1ji8 h LEU 59 N 0.26 0.18 -1.15 3.88 6.46 -1.34 -3.08 115.31 120.52 1ji8 h LEU 59 Ca 0.71 -0.48 0.38 0.00 -0.12 0.00 0.00 57.88 58.38 1ji8 h LEU 59 Cb 1.96 -0.05 -0.15 0.00 -0.73 0.00 0.00 40.66 41.69 1ji8 h LEU 59 CO -0.41 0.62 0.66 -0.09 -0.62 0.00 0.00 178.44 178.60 1ji8 h ARG 60 N -0.25 0.16 0.30 1.25 9.65 0.18 0.11 114.38 125.77 1ji8 h ARG 60 Ca 0.01 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1ji8 h ARG 60 Cb 0.57 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1ji8 h ARG 60 CO 0.02 0.11 -0.14 1.49 2.80 0.00 0.00 179.97 184.24 1ji8 h GLU 61 N 0.16 -0.39 -0.80 0.20 4.81 -1.44 -1.87 114.58 115.26 1ji8 h GLU 61 Ca 0.79 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 60.20 1ji8 h GLU 61 Cb 2.11 0.09 -0.10 0.00 0.63 0.00 0.00 28.75 31.48 1ji8 h GLU 61 CO -0.58 -0.08 0.33 -0.92 -0.73 0.00 0.00 179.01 177.03 1ji8 h TYR 62 N -0.71 0.56 -0.20 0.92 3.20 -0.83 -1.23 116.97 118.68 1ji8 h TYR 62 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1ji8 h TYR 62 Cb 0.49 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1ji8 h TYR 62 CO 0.02 0.05 0.07 2.35 -1.64 0.00 0.00 178.16 179.00 1ji8 h TRP 63 N 0.45 0.31 0.00 -3.82 7.01 -1.28 -1.97 115.95 116.65 1ji8 h TRP 63 Ca 0.45 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.42 1ji8 h TRP 63 Cb 0.72 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.69 1ji8 h TRP 63 CO -0.16 0.38 0.20 1.49 -2.79 0.00 0.00 178.44 177.56 1ji8 h GLU 64 N 0.15 0.00 0.06 2.65 4.81 -0.37 0.46 114.58 122.34 1ji8 h GLU 64 Ca 0.06 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1ji8 h GLU 64 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ji8 h GLU 64 CO -0.00 0.00 -0.63 1.15 -0.73 0.00 0.00 179.01 178.80 1ji8 h THR 65 N 0.00 1.48 0.00 0.32 2.02 -0.90 -3.45 112.91 112.39 1ji8 h THR 65 Ca 0.00 -2.39 0.00 0.00 0.77 0.00 0.00 66.41 64.79 1ji8 h THR 65 Cb 0.39 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.89 1ji8 h THR 65 CO 0.00 0.62 -0.15 0.33 0.37 0.00 0.00 175.52 176.69 1ji8 n PHE 66 N -4.33 0.00 0.00 3.16 -0.00 -0.62 -5.08 117.46 110.59 1ji8 n PHE 66 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 1ji8 n PHE 66 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.16 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 1.42 0.73 3.28 7.13 0.00 0.15 -5.02 105.19 112.89 1ji8 n GLY 67 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.34 1.46 -0.57 2.61 2.01 -1.26 -4.92 115.64 113.63 1ji8 s THR 68 Ca 0.00 -1.96 0.04 0.00 0.31 0.00 0.00 61.69 60.08 1ji8 s THR 68 Cb 0.00 -1.79 0.14 0.00 0.01 0.00 0.00 72.50 70.87 1ji8 s THR 68 CO 0.00 -0.54 0.33 0.00 -0.69 0.00 0.00 174.62 173.72 1ji8 s PRO 70 N -0.59 1.15 0.00 0.00 0.04 -1.26 -5.05 135.00 129.29 1ji8 s PRO 70 Ca 0.20 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ji8 s PRO 70 Cb -0.19 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ji8 s PRO 70 CO -0.05 -2.24 0.00 -0.35 0.04 0.00 0.00 177.00 174.39 1ji8 n PRO 71 N -3.84 0.00 -2.67 0.56 -0.04 -1.26 -4.83 135.00 122.92 1ji8 n PRO 71 Ca 0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 1ji8 n PRO 71 Cb 0.57 -0.16 0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.05 0.52 0.13 -1.26 -4.60 119.36 114.19 1ji8 n ILE 72 Ca 0.00 -0.52 0.00 0.00 -1.10 0.00 0.00 62.75 61.13 1ji8 n ILE 72 Cb 0.00 0.91 0.00 0.00 -0.84 0.00 0.00 39.64 39.71 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 1.98 0.00 0.05 9.51 4.81 -1.26 -4.73 118.16 128.51 1ji8 n LYS 73 Ca 0.06 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.56 1ji8 n LYS 73 Cb 0.68 -0.24 0.29 0.00 0.02 0.00 0.00 35.03 35.78 1ji8 n LYS 73 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1ji8 n MET 74 N -3.12 0.06 -0.06 1.64 2.81 -1.26 -2.48 117.12 114.71 1ji8 n MET 74 Ca 0.00 0.43 -0.13 0.00 -1.81 0.00 0.00 57.70 56.19 1ji8 n MET 74 Cb 0.00 -1.64 -0.07 0.00 -0.71 0.00 0.00 33.22 30.80 1ji8 n MET 74 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ji8 h VAL 75 N 0.00 1.34 -0.72 2.03 2.07 -1.97 -3.18 116.25 115.82 1ji8 h VAL 75 Ca 0.00 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1ji8 h VAL 75 Cb 0.14 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1ji8 h VAL 75 CO 0.00 0.40 0.22 0.74 0.02 0.00 0.00 177.57 178.95 1ji8 h THR 76 N 0.07 1.26 -0.83 2.57 2.02 -1.74 0.15 112.91 116.40 1ji8 h THR 76 Ca 0.03 -0.89 0.24 0.00 0.77 0.00 0.00 66.41 66.56 1ji8 h THR 76 Cb 0.71 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ji8 h THR 76 CO 0.04 0.35 0.61 0.50 0.37 0.00 0.00 175.52 177.39 1ji8 h LYS 77 N 1.06 0.00 0.00 6.66 3.64 -1.60 0.31 116.57 126.63 1ji8 h LYS 77 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1ji8 h LYS 77 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ji8 h LYS 77 CO -0.01 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 175.26 1ji8 n GLU 78 N -4.25 0.00 -0.11 1.90 4.07 -0.88 -4.69 120.64 116.68 1ji8 n GLU 78 Ca 0.17 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.21 1ji8 n GLU 78 Cb 0.91 -0.39 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 1ji8 n GLU 78 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ji8 h THR 79 N 0.00 0.36 -0.00 6.31 1.35 -1.06 -3.46 112.91 116.41 1ji8 h THR 79 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ji8 h THR 79 Cb 0.00 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1ji8 h THR 79 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ji8 n GLY 80 N -1.39 1.88 3.60 5.82 0.00 0.10 -5.03 105.19 110.16 1ji8 n GLY 80 Ca 0.02 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.00 3.23 0.51 1.61 0.40 -1.26 -5.04 117.98 115.43 1ji8 s PHE 81 Ca 0.00 0.15 -0.21 0.00 -0.60 0.00 0.00 56.93 56.27 1ji8 s PHE 81 Cb 0.00 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.08 1ji8 s PHE 81 CO 0.00 -0.15 1.21 -1.12 0.70 0.00 0.00 175.22 175.86 1ji8 s SER 82 N 1.69 5.76 0.55 1.36 0.01 -1.26 -4.62 113.70 117.19 1ji8 s SER 82 Ca 0.08 2.39 0.25 0.00 1.31 0.00 0.00 55.95 59.98 1ji8 s SER 82 Cb -0.16 -2.61 1.47 0.00 0.21 0.00 0.00 66.02 64.94 1ji8 s SER 82 CO 0.10 -1.21 2.07 0.25 0.41 0.00 0.00 173.24 174.86 1ji8 h LEU 83 N 1.61 0.00 -0.57 2.44 5.85 -1.97 -1.61 115.31 121.06 1ji8 h LEU 83 Ca -0.50 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.26 1ji8 h LEU 83 Cb 1.27 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 1ji8 h LEU 83 CO 0.58 0.00 0.33 -0.08 -0.34 0.00 0.00 178.44 178.93 1ji8 h GLU 84 N 0.00 0.62 0.29 1.25 4.81 -2.00 -1.67 114.58 117.89 1ji8 h GLU 84 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ji8 h GLU 84 Cb 0.61 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1ji8 h GLU 84 CO -0.00 0.41 -0.14 0.87 -0.73 0.00 0.00 179.01 179.42 1ji8 h LYS 85 N 0.64 -0.37 -0.70 1.92 1.57 -1.65 -1.62 116.57 116.36 1ji8 h LYS 85 Ca 0.24 0.03 0.20 0.00 -1.87 0.00 0.00 60.65 59.25 1ji8 h LYS 85 Cb 0.07 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1ji8 h LYS 85 CO -0.12 -0.14 0.50 0.82 -0.57 0.00 0.00 179.45 179.94 1ji8 h ILE 86 N -0.55 0.65 0.05 1.86 2.04 -1.47 0.55 117.51 120.64 1ji8 h ILE 86 Ca -0.04 -0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.57 1ji8 h ILE 86 Cb 0.41 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1ji8 h ILE 86 CO 0.07 0.00 -1.06 1.88 0.00 0.00 0.00 178.15 179.04 1ji8 h TYR 87 N 0.01 0.65 -0.39 1.37 -1.99 -0.85 -0.95 116.97 114.83 1ji8 h TYR 87 Ca 0.34 -0.39 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 1ji8 h TYR 87 Cb 1.32 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.98 1ji8 h TYR 87 CO -0.00 1.23 0.13 0.37 -0.00 0.00 0.00 178.16 179.89 1ji8 h GLN 88 N 0.20 0.60 0.02 4.88 4.15 0.06 -3.30 115.11 121.73 1ji8 h GLN 88 Ca -0.11 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 1ji8 h GLN 88 Cb 1.72 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.32 1ji8 h GLN 88 CO 0.18 0.60 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.61 1ji8 h LEU 89 N 0.48 -0.02-10.41 -2.39 3.38 -1.50 -3.46 115.31 101.38 1ji8 h LEU 89 Ca 0.13 -0.60 -0.47 0.00 0.09 0.00 0.00 57.88 57.03 1ji8 h LEU 89 Cb 0.25 0.01 0.05 0.00 0.09 0.00 0.00 40.66 41.05 1ji8 h LEU 89 CO -0.00 0.76 0.08 -0.36 0.09 0.00 0.00 178.44 179.00 1ji8 s PHE 90 N -2.20 3.21 1.06 1.13 0.08 -0.36 -5.09 117.98 115.82 1ji8 s PHE 90 Ca -0.12 0.47 -0.18 0.00 0.12 0.00 0.00 56.93 57.22 1ji8 s PHE 90 Cb -0.02 -2.61 0.26 0.00 -0.57 0.00 0.00 43.02 40.08 1ji8 s PHE 90 CO 0.45 -0.68 1.13 -0.35 -0.10 0.00 0.00 175.22 175.67 1ji8 n PRO 91 N -2.41 -2.26 -1.93 0.24 -0.04 -1.26 -4.43 135.00 122.91 1ji8 n PRO 91 Ca 0.04 -1.78 -0.24 0.00 -0.04 0.00 0.00 63.50 61.48 1ji8 n PRO 91 Cb 0.58 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1ji8 n PRO 91 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ji8 s SER 92 N -4.87 4.71 0.00 3.54 0.01 -1.26 -4.09 113.70 111.74 1ji8 s SER 92 Ca 0.69 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 57.08 1ji8 s SER 92 Cb -0.05 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1ji8 s SER 92 CO 0.51 -3.26 0.00 0.61 0.41 0.00 0.00 173.24 171.51 1ji8 n GLY 93 N 6.47 0.30 0.00 3.44 0.00 -1.26 -5.00 105.19 109.15 1ji8 n GLY 93 Ca 0.43 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 0.68 -0.06 1.61 -0.04 -1.26 -3.14 135.00 132.80 1ji8 n PRO 94 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1ji8 n PRO 94 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1ji8 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ji8 h ALA 95 N 3.37 -0.01 0.00 0.55 0.00 -1.88 -2.87 119.26 118.42 1ji8 h ALA 95 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1ji8 h ALA 95 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ji8 h ALA 95 CO 0.00 -0.02 -0.29 1.12 0.00 0.00 0.00 179.25 180.06 1ji8 h HIS 96 N -0.99 0.00 0.00 0.00 2.07 -1.95 -3.14 115.15 111.14 1ji8 h HIS 96 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ji8 h HIS 96 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 1ji8 h HIS 96 CO 0.17 0.29 0.00 0.41 -3.07 0.00 0.00 177.93 175.74 1ji8 n GLY 97 N 0.85 -0.38 0.43 6.13 0.00 -1.19 -1.95 105.19 109.08 1ji8 n GLY 97 Ca 0.02 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.39 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 2.58 0.07 4.61 0.00 -1.67 0.19 119.26 123.03 1ji8 h ALA 98 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ji8 h ALA 98 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ji8 h ALA 98 CO 0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 179.25 177.98 1ji8 h LYS 100 N -0.65 0.31 0.30 0.00 1.63 0.03 -1.54 116.57 116.63 1ji8 h LYS 100 Ca -0.01 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 1ji8 h LYS 100 Cb 0.55 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1ji8 h LYS 100 CO 0.02 0.20 -0.14 0.28 -3.45 0.00 0.00 179.45 176.36 1ji8 h VAL 101 N 0.32 0.64 -1.27 2.00 2.07 -1.44 -3.07 116.25 115.50 1ji8 h VAL 101 Ca 0.51 -0.74 0.39 0.00 0.82 0.00 0.00 66.70 67.68 1ji8 h VAL 101 Cb 0.95 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 31.59 1ji8 h VAL 101 CO -0.55 0.13 0.83 0.00 0.02 0.00 0.00 177.57 178.00 1ji8 h ALA 102 N -0.39 2.69 -2.59 1.67 0.00 -0.66 -3.46 119.26 116.52 1ji8 h ALA 102 Ca -0.04 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ji8 h ALA 102 Cb 0.52 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ji8 h ALA 102 CO 0.07 -1.24 0.00 0.41 0.00 0.00 0.00 179.25 178.48 1ji8 n GLY 103 N -1.54 0.57 0.00 0.00 0.00 -0.65 -4.99 105.19 98.58 1ji8 n GLY 103 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.15 0.00 -1.11 4.61 0.00 -1.25 -4.34 120.51 117.26 1ji8 n ALA 104 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1ji8 n ALA 104 Cb 0.43 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 -1.44 -1.87 0.00 -0.04 -1.26 -4.86 135.00 125.52 1ji8 n PRO 105 Ca 0.00 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 1ji8 n PRO 105 Cb 0.00 -0.58 0.06 0.00 -0.04 0.00 0.00 33.50 32.94 1ji8 n PRO 105 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ji8 s LYS 106 N -3.96 2.64 0.22 0.54 2.20 -1.26 -4.95 119.74 115.17 1ji8 s LYS 106 Ca 0.27 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 1ji8 s LYS 106 Cb -0.02 -2.00 -0.09 0.00 -1.51 0.00 0.00 37.83 34.21 1ji8 s LYS 106 CO 0.20 -1.18 1.17 -1.25 -0.36 0.00 0.00 175.35 173.93 1ji8 s PRO 107 N -5.40 4.53 0.08 4.03 0.04 -1.26 -4.96 135.00 132.07 1ji8 s PRO 107 Ca 0.59 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 63.33 1ji8 s PRO 107 Cb -0.11 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 1ji8 s PRO 107 CO 0.51 0.01 1.42 1.15 0.04 0.00 0.00 177.00 180.13 1ji8 h THR 108 N 3.52 1.31 0.00 1.26 2.02 -2.06 -3.47 112.91 115.49 1ji8 h THR 108 Ca -0.45 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.39 1ji8 h THR 108 Cb 1.21 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.22 1ji8 h THR 108 CO 0.72 0.42 0.00 0.61 0.37 0.00 0.00 175.52 177.63 1ji8 n GLY 109 N 0.09 1.29 3.14 2.16 0.00 -1.26 -5.09 105.19 105.52 1ji8 n GLY 109 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32