#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 -0.33 -5.38 2.12 0.13 -2.02 -3.40 132.00 123.11 1ji8 h PRO 2 Ca 0.00 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.51 1ji8 h PRO 2 Cb 0.00 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 31.05 1ji8 h PRO 2 CO 0.00 -0.04 0.35 0.54 -0.23 0.00 0.00 178.00 178.63 1ji8 s VAL 3 N -3.27 4.57 -0.06 1.56 0.11 -1.26 -5.03 120.40 117.01 1ji8 s VAL 3 Ca -0.10 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 58.53 1ji8 s VAL 3 Cb 0.01 -4.49 -0.04 0.00 -1.53 0.00 0.00 36.38 30.32 1ji8 s VAL 3 CO 0.35 -1.09 0.60 -0.75 -3.33 0.00 0.00 175.10 170.87 1ji8 s LYS 4 N 3.44 4.37 0.16 1.54 2.47 -1.26 -5.05 119.74 125.41 1ji8 s LYS 4 Ca 0.22 0.70 0.05 0.00 -1.56 0.00 0.00 55.97 55.37 1ji8 s LYS 4 Cb -0.17 -3.41 -0.04 0.00 -1.46 0.00 0.00 37.83 32.76 1ji8 s LYS 4 CO 0.14 0.19 0.16 0.00 0.16 0.00 0.00 175.35 175.99 1ji8 s PRO 6 N -3.11 3.70 -0.29 0.00 0.04 -1.19 -4.83 135.00 129.32 1ji8 s PRO 6 Ca 0.31 1.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 1ji8 s PRO 6 Cb -0.10 -2.09 0.15 0.00 0.04 0.00 0.00 34.50 32.50 1ji8 s PRO 6 CO 0.24 -0.50 1.17 0.20 0.04 0.00 0.00 177.00 178.15 1ji8 s GLY 7 N -2.48 0.05 -0.26 0.56 0.00 -0.57 -4.97 107.32 99.64 1ji8 s GLY 7 Ca 0.64 3.03 -0.12 0.00 0.00 0.00 0.00 44.72 48.27 1ji8 s GLY 7 CO 0.27 1.96 0.22 1.85 0.00 0.00 0.00 173.10 177.40 1ji8 s GLU 8 N 0.27 4.01 0.15 2.90 -6.30 -1.26 -1.94 118.70 116.53 1ji8 s GLU 8 Ca 0.03 -0.22 0.05 0.00 -2.50 0.00 0.00 54.97 52.33 1ji8 s GLU 8 Cb -0.05 -3.62 -0.04 0.00 0.00 0.00 0.00 34.13 30.42 1ji8 s GLU 8 CO -0.10 -0.12 -0.12 0.71 0.02 0.00 0.00 175.26 175.65 1ji8 s TYR 9 N 1.58 1.36 0.20 5.30 2.02 -0.80 -4.96 117.35 122.05 1ji8 s TYR 9 Ca 0.09 -0.68 0.08 0.00 -0.37 0.00 0.00 57.07 56.19 1ji8 s TYR 9 Cb -0.15 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1ji8 s TYR 9 CO 0.09 0.14 0.03 -0.65 -1.57 0.00 0.00 175.55 173.59 1ji8 s GLN 10 N -3.45 2.47 -0.26 -0.62 -0.21 -1.26 -0.84 119.66 115.50 1ji8 s GLN 10 Ca 0.15 -1.15 -0.00 0.00 0.02 0.00 0.00 55.36 54.38 1ji8 s GLN 10 Cb 0.00 -2.36 0.08 0.00 1.00 0.00 0.00 33.01 31.73 1ji8 s GLN 10 CO 0.02 0.43 0.02 0.08 -2.12 0.00 0.00 175.29 173.73 1ji8 s VAL 11 N -1.89 1.16 -1.48 1.09 1.01 -0.98 -4.76 120.40 114.53 1ji8 s VAL 11 Ca 0.29 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1ji8 s VAL 11 Cb -0.09 -1.66 0.08 0.00 0.00 0.00 0.00 36.38 34.72 1ji8 s VAL 11 CO 0.20 -0.35 0.80 0.47 0.00 0.00 0.00 175.10 176.21 1ji8 n ASP 12 N 4.78 -4.57 0.00 3.32 9.92 -1.26 -1.25 116.55 127.49 1ji8 n ASP 12 Ca -0.07 -0.64 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 1ji8 n ASP 12 Cb 0.44 -3.68 0.00 0.00 -0.64 0.00 0.00 41.12 37.23 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 -1.51 1.05 3.78 0.44 0.00 -1.26 -5.09 105.19 102.61 1ji8 n GLY 13 Ca 0.02 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.24 2.20 -0.03 1.61 -0.14 -0.38 -5.13 119.74 116.64 1ji8 s LYS 14 Ca 0.00 -2.09 0.03 0.00 -1.36 0.00 0.00 55.97 52.54 1ji8 s LYS 14 Cb 0.00 -1.84 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 1ji8 s LYS 14 CO 0.00 -0.32 -0.10 0.21 -0.76 0.00 0.00 175.35 174.38 1ji8 s LYS 15 N -3.98 1.03 -0.05 1.68 2.36 -1.26 -2.33 119.74 117.20 1ji8 s LYS 15 Ca 0.27 -0.33 -0.02 0.00 -2.55 0.00 0.00 55.97 53.34 1ji8 s LYS 15 Cb 0.02 -0.96 0.03 0.00 -1.05 0.00 0.00 37.83 35.88 1ji8 s LYS 15 CO 0.15 0.12 0.08 0.08 1.55 0.00 0.00 175.35 177.33 1ji8 s VAL 16 N 0.19 -0.13 -0.43 4.02 1.01 -0.02 -4.90 120.40 120.14 1ji8 s VAL 16 Ca -0.03 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.17 1ji8 s VAL 16 Cb -0.09 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 36.16 1ji8 s VAL 16 CO 0.01 0.16 0.35 -0.63 0.00 0.00 0.00 175.10 174.98 1ji8 s ILE 17 N 2.02 5.23 -0.28 2.22 1.01 -1.26 -1.91 121.20 128.23 1ji8 s ILE 17 Ca 0.02 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1ji8 s ILE 17 Cb -0.12 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1ji8 s ILE 17 CO -0.04 -0.42 0.64 -0.76 0.00 0.00 0.00 174.94 174.37 1ji8 s LEU 18 N 1.72 4.09 0.00 2.97 1.43 -0.82 -3.29 118.68 124.79 1ji8 s LEU 18 Ca 0.05 0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 53.70 1ji8 s LEU 18 Cb -0.21 -2.86 0.08 0.00 0.03 0.00 0.00 46.19 43.24 1ji8 s LEU 18 CO 0.09 -0.43 0.31 -0.67 0.23 0.00 0.00 176.35 175.89 1ji8 n ASP 19 N 5.81 -1.09 -0.12 2.29 2.03 -0.64 -1.52 116.55 123.31 1ji8 n ASP 19 Ca -0.00 -0.76 0.27 0.00 0.52 0.00 0.00 54.79 54.82 1ji8 n ASP 19 Cb 0.49 -0.28 0.71 0.00 -0.72 0.00 0.00 41.12 41.32 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ji8 h GLU 20 N 0.00 0.00 -1.67 -0.67 5.08 -1.92 -0.90 114.58 114.50 1ji8 h GLU 20 Ca -0.11 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.63 1ji8 h GLU 20 Cb 0.34 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.20 1ji8 h GLU 20 CO 0.08 0.00 -0.43 -0.25 -1.00 0.00 0.00 179.01 177.40 1ji8 n ASP 21 N -3.98 5.14 -2.98 1.42 8.00 -1.26 -4.17 116.55 118.71 1ji8 n ASP 21 Ca 0.17 -3.73 -0.13 0.00 0.71 0.00 0.00 54.79 51.81 1ji8 n ASP 21 Cb 0.95 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.44 3.55 -0.53 0.00 0.40 -1.26 -4.63 117.98 113.08 1ji8 s PHE 23 Ca 0.21 1.35 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1ji8 s PHE 23 Cb -0.12 -2.74 0.11 0.00 0.51 0.00 0.00 43.02 40.78 1ji8 s PHE 23 CO 0.25 -0.53 0.51 -1.64 0.70 0.00 0.00 175.22 174.51 1ji8 s MET 24 N -4.65 3.00 -0.10 0.44 -1.94 -1.26 -1.62 119.30 113.17 1ji8 s MET 24 Ca 0.56 -1.52 0.09 0.00 -1.71 0.00 0.00 55.69 53.11 1ji8 s MET 24 Cb -0.10 -4.24 0.45 0.00 2.01 0.00 0.00 34.83 32.94 1ji8 s MET 24 CO 0.43 -1.28 1.24 1.04 -0.01 0.00 0.00 175.02 176.44 1ji8 n GLN 25 N 5.43 2.92 -3.10 2.03 1.13 -1.21 -4.48 117.38 120.10 1ji8 n GLN 25 Ca -0.13 -1.73 -0.17 0.00 -1.94 0.00 0.00 57.00 53.03 1ji8 n GLN 25 Cb 0.42 -1.79 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 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 0.45 -1.65 0.00 1.08 4.13 -1.26 -4.95 115.26 113.06 1ji8 n ASN 26 Ca 0.15 -2.67 0.09 0.00 1.68 0.00 0.00 54.58 53.84 1ji8 n ASN 26 Cb 0.68 0.43 0.46 0.00 -1.54 0.00 0.00 39.78 39.81 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 2.64 0.17 0.07 3.52 -0.04 -1.26 -2.81 135.00 137.29 1ji8 n PRO 27 Ca 0.23 0.13 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 1ji8 n PRO 27 Cb 0.52 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.91 1ji8 n PRO 27 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ji8 n GLU 28 N -1.37 0.12 -1.17 0.54 2.13 -1.26 -2.76 120.64 116.86 1ji8 n GLU 28 Ca 0.08 0.31 -0.10 0.00 0.66 0.00 0.00 57.16 58.10 1ji8 n GLU 28 Cb 0.18 -1.70 0.14 0.00 0.27 0.00 0.00 31.44 30.33 1ji8 n GLU 28 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ji8 n ASP 29 N -1.92 3.38 -4.89 4.31 -0.08 -1.12 -5.03 116.55 111.20 1ji8 n ASP 29 Ca 0.03 -3.82 -0.31 0.00 -1.51 0.00 0.00 54.79 49.19 1ji8 n ASP 29 Cb 0.24 -0.53 -0.05 0.00 2.34 0.00 0.00 41.12 43.11 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1ji8 s TRP 30 N -3.40 3.45 0.05 -0.67 -0.00 -1.11 -4.88 118.94 112.38 1ji8 s TRP 30 Ca 0.46 0.71 -0.03 0.00 -0.00 0.00 0.00 56.10 57.24 1ji8 s TRP 30 Cb 0.40 -2.14 0.01 0.00 -0.00 0.00 0.00 33.47 31.75 1ji8 s TRP 30 CO -0.01 0.31 0.15 -0.25 -0.00 0.00 0.00 176.95 177.15 1ji8 n ASP 31 N -0.23 -0.34 0.15 5.86 8.00 -1.26 -5.00 116.55 123.73 1ji8 n ASP 31 Ca -0.01 -1.21 -0.12 0.00 0.71 0.00 0.00 54.79 54.17 1ji8 n ASP 31 Cb 0.52 0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 42.11 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ji8 h GLU 32 N 0.00 -0.42 -0.96 -1.24 4.57 -2.00 -2.04 114.58 112.49 1ji8 h GLU 32 Ca -0.05 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 1ji8 h GLU 32 Cb 0.20 0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.83 1ji8 h GLU 32 CO 0.07 -0.10 0.62 -0.22 -1.18 0.00 0.00 179.01 178.20 1ji8 h LYS 33 N -0.92 1.07 0.15 1.92 3.64 -2.00 -2.38 116.57 118.06 1ji8 h LYS 33 Ca -0.05 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1ji8 h LYS 33 Cb 0.52 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ji8 h LYS 33 CO 0.07 0.71 -0.07 0.28 -2.27 0.00 0.00 179.45 178.17 1ji8 h VAL 34 N 1.10 0.92 -0.34 2.00 2.07 -1.93 -1.73 116.25 118.34 1ji8 h VAL 34 Ca 0.41 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1ji8 h VAL 34 Cb 0.19 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 1ji8 h VAL 34 CO -0.16 0.07 -0.13 0.00 0.02 0.00 0.00 177.57 177.37 1ji8 h ALA 35 N 0.49 0.16 -0.86 1.67 0.00 -0.97 -1.22 119.26 118.52 1ji8 h ALA 35 Ca -0.02 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ji8 h ALA 35 Cb 0.27 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1ji8 h ALA 35 CO 0.03 -0.50 0.55 1.49 0.00 0.00 0.00 179.25 180.82 1ji8 h GLU 36 N -0.06 1.03 -0.31 0.00 4.81 -1.35 -2.19 114.58 116.51 1ji8 h GLU 36 Ca 0.17 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1ji8 h GLU 36 Cb 0.32 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1ji8 h GLU 36 CO -0.38 0.68 0.02 2.35 -0.73 0.00 0.00 179.01 180.95 1ji8 h TRP 37 N 1.06 0.02 0.11 0.92 7.01 -0.29 -1.76 115.95 123.01 1ji8 h TRP 37 Ca 0.35 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.37 1ji8 h TRP 37 Cb 0.04 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1ji8 h TRP 37 CO -0.02 -0.03 -0.05 1.25 -2.79 0.00 0.00 178.44 176.80 1ji8 h LEU 38 N 0.11 -0.12 -1.07 0.65 6.46 -0.99 -1.89 115.31 118.46 1ji8 h LEU 38 Ca 0.15 -0.07 0.20 0.00 -0.12 0.00 0.00 57.88 58.04 1ji8 h LEU 38 Cb 0.19 0.03 -0.10 0.00 -0.73 0.00 0.00 40.66 40.04 1ji8 h LEU 38 CO -0.23 -0.01 0.61 0.00 -0.62 0.00 0.00 178.44 178.19 1ji8 h ALA 39 N 0.67 1.76 0.14 1.25 0.00 -1.10 -1.56 119.26 120.41 1ji8 h ALA 39 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ji8 h ALA 39 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ji8 h ALA 39 CO 0.02 -0.14 -0.07 -0.09 0.00 0.00 0.00 179.25 178.98 1ji8 h ARG 40 N 0.70 -0.18 -1.20 0.00 2.43 -0.98 -2.02 114.38 113.14 1ji8 h ARG 40 Ca 0.57 0.01 0.35 0.00 -0.81 0.00 0.00 59.98 60.11 1ji8 h ARG 40 Cb 0.98 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.52 1ji8 h ARG 40 CO -0.36 -0.12 1.14 1.49 -1.51 0.00 0.00 179.97 180.60 1ji8 h GLU 41 N -0.34 0.00 0.00 0.20 4.81 -1.20 -2.87 114.58 115.19 1ji8 h GLU 41 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ji8 h GLU 41 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1ji8 h GLU 41 CO 0.03 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.59 1ji8 n LEU 42 N -3.57 2.30 0.00 1.64 4.32 -0.60 -4.89 117.00 116.20 1ji8 n LEU 42 Ca 0.27 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.28 1ji8 n LEU 42 Cb 1.51 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 43.28 1ji8 n LEU 42 CO 0.31 -0.03 0.00 -0.62 -1.22 0.00 0.00 177.39 175.83 1ji8 n GLU 43 N -0.76 0.00 0.00 3.23 1.02 -0.76 -5.03 120.64 118.33 1ji8 n GLU 43 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1ji8 n GLU 43 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 2.46 0.00 3.63 0.62 0.00 -1.13 -4.97 105.19 105.81 1ji8 n GLY 44 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.12 0.19 -0.61 1.01 -1.26 -4.90 121.20 119.76 1ji8 s ILE 45 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 1ji8 s ILE 45 Cb 0.00 -4.11 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1ji8 s ILE 45 CO 0.00 -0.43 1.79 1.56 0.00 0.00 0.00 174.94 177.86 1ji8 h GLN 46 N 9.29 0.55 -2.14 2.79 4.20 -1.98 -3.41 115.11 124.41 1ji8 h GLN 46 Ca -0.27 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.44 1ji8 h GLN 46 Cb 1.10 -0.12 -0.22 0.00 0.30 0.00 0.00 27.48 28.54 1ji8 h GLN 46 CO 1.02 0.36 -0.16 0.21 -0.67 0.00 0.00 178.83 179.59 1ji8 s LYS 47 N -6.12 0.54 -0.35 1.46 2.36 -1.26 -5.08 119.74 111.29 1ji8 s LYS 47 Ca -0.13 1.30 -0.42 0.00 -2.55 0.00 0.00 55.97 54.18 1ji8 s LYS 47 Cb 0.15 0.61 -0.17 0.00 -1.05 0.00 0.00 37.83 37.37 1ji8 s LYS 47 CO 0.74 -0.20 1.77 -1.33 1.55 0.00 0.00 175.35 177.89 1ji8 n MET 48 N 5.20 0.80 -0.69 4.03 2.81 -1.26 -4.90 117.12 123.10 1ji8 n MET 48 Ca -0.13 0.29 -0.30 0.00 -1.81 0.00 0.00 57.70 55.74 1ji8 n MET 48 Cb 0.51 -1.95 0.27 0.00 -0.71 0.00 0.00 33.22 31.34 1ji8 n MET 48 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ji8 s THR 49 N 3.88 1.39 0.20 2.03 -4.23 -1.26 -4.81 115.64 112.84 1ji8 s THR 49 Ca 1.02 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 61.79 1ji8 s THR 49 Cb -1.19 -2.25 0.26 0.00 1.34 0.00 0.00 72.50 70.66 1ji8 s THR 49 CO 0.69 0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 176.58 1ji8 h GLU 50 N -3.05 0.00 0.03 3.99 4.81 -2.01 -2.92 114.58 115.44 1ji8 h GLU 50 Ca -0.44 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.55 1ji8 h GLU 50 Cb 1.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1ji8 h GLU 50 CO 0.31 0.18 -1.01 0.93 -0.73 0.00 0.00 179.01 178.70 1ji8 h GLU 51 N 0.00 0.34 0.00 1.92 3.07 -1.99 -2.72 114.58 115.19 1ji8 h GLU 51 Ca -0.00 -0.41 -0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1ji8 h GLU 51 Cb 0.63 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1ji8 h GLU 51 CO 0.02 1.11 -0.00 0.45 -1.40 0.00 0.00 179.01 179.19 1ji8 h HIS 52 N 0.17 -0.00 -0.33 4.33 3.86 -1.85 -2.15 115.15 119.18 1ji8 h HIS 52 Ca -0.09 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.04 1ji8 h HIS 52 Cb 1.67 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.12 1ji8 h HIS 52 CO 0.06 0.13 -0.15 -1.49 0.86 0.00 0.00 177.93 177.34 1ji8 h TRP 53 N -0.13 0.64 0.86 2.45 -0.00 -1.64 -2.35 115.95 115.79 1ji8 h TRP 53 Ca -0.00 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.89 58.73 1ji8 h TRP 53 Cb 0.13 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 29.13 1ji8 h TRP 53 CO -0.03 0.71 -0.41 0.87 -0.00 0.00 0.00 178.44 179.57 1ji8 h LYS 54 N 0.54 -1.11 -0.06 0.49 1.79 -1.26 -0.28 116.57 116.68 1ji8 h LYS 54 Ca 0.09 0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.67 1ji8 h LYS 54 Cb 0.56 0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 31.42 1ji8 h LYS 54 CO 0.04 -0.74 -0.19 1.25 -1.08 0.00 0.00 179.45 178.73 1ji8 h LEU 55 N -1.18 -0.56 -2.05 2.94 5.85 -1.42 -0.36 115.31 118.53 1ji8 h LEU 55 Ca -0.12 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1ji8 h LEU 55 Cb 0.88 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1ji8 h LEU 55 CO 0.19 -0.25 0.29 0.58 -0.34 0.00 0.00 178.44 178.91 1ji8 h VAL 56 N -0.27 0.70 0.02 1.05 2.07 -1.41 -1.03 116.25 117.37 1ji8 h VAL 56 Ca 0.07 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.34 1ji8 h VAL 56 Cb 0.38 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1ji8 h VAL 56 CO -0.22 0.00 -1.04 0.50 0.02 0.00 0.00 177.57 176.83 1ji8 h LYS 57 N 0.00 0.57 -0.48 1.57 3.64 0.60 -2.79 116.57 119.69 1ji8 h LYS 57 Ca 0.17 -0.65 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 1ji8 h LYS 57 Cb 0.74 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1ji8 h LYS 57 CO -0.00 1.25 0.07 -0.92 -2.27 0.00 0.00 179.45 177.58 1ji8 h TYR 58 N 0.31 0.85 -0.59 1.91 5.03 -0.13 -2.93 116.97 121.41 1ji8 h TYR 58 Ca -0.12 -0.12 -0.09 0.00 2.58 0.00 0.00 58.73 60.98 1ji8 h TYR 58 Cb 1.69 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.72 1ji8 h TYR 58 CO 0.09 0.78 0.02 1.25 -1.32 0.00 0.00 178.16 178.98 1ji8 h LEU 59 N 0.66 0.98 -1.31 2.82 6.46 -1.49 -2.75 115.31 120.68 1ji8 h LEU 59 Ca 0.14 -0.26 0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1ji8 h LEU 59 Cb 0.40 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.01 1ji8 h LEU 59 CO 0.01 1.02 0.54 -0.09 -0.62 0.00 0.00 178.44 179.30 1ji8 h ARG 60 N 0.93 0.73 -0.55 1.25 2.43 -1.32 -1.47 114.38 116.38 1ji8 h ARG 60 Ca 0.17 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1ji8 h ARG 60 Cb 0.51 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1ji8 h ARG 60 CO 0.02 0.48 0.32 1.49 -1.51 0.00 0.00 179.97 180.78 1ji8 h GLU 61 N 0.75 0.61 -0.07 0.20 4.81 -1.36 -1.89 114.58 117.64 1ji8 h GLU 61 Ca 0.39 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1ji8 h GLU 61 Cb 0.49 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1ji8 h GLU 61 CO -0.16 0.41 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.16 1ji8 h TYR 62 N 0.63 0.19 0.00 0.92 3.20 -1.35 -2.43 116.97 118.13 1ji8 h TYR 62 Ca 0.23 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1ji8 h TYR 62 Cb 0.05 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1ji8 h TYR 62 CO -0.07 0.58 0.00 1.87 -1.64 0.00 0.00 178.16 178.90 1ji8 n TRP 63 N -4.00 0.36 -0.02 -3.82 -0.00 -0.74 -0.94 117.44 108.28 1ji8 n TRP 63 Ca -0.02 0.15 -0.16 0.00 -0.00 0.00 0.00 57.50 57.47 1ji8 n TRP 63 Cb 0.49 -0.74 -0.13 0.00 -0.00 0.00 0.00 31.31 30.93 1ji8 n TRP 63 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1ji8 h GLU 64 N 0.00 0.14 0.00 5.87 5.08 -1.12 -3.28 114.58 121.27 1ji8 h GLU 64 Ca 0.00 -0.21 -0.18 0.00 -1.00 0.00 0.00 59.36 57.97 1ji8 h GLU 64 Cb 0.24 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1ji8 h GLU 64 CO 0.00 1.04 -1.16 2.41 -1.00 0.00 0.00 179.01 180.30 1ji8 n THR 65 N -4.44 1.50 0.00 1.13 -1.04 -1.13 -4.77 114.28 105.53 1ji8 n THR 65 Ca -0.11 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1ji8 n THR 65 Cb 0.58 -2.13 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 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 -4.47 0.00 0.00 -1.42 3.72 -0.12 -5.01 117.46 110.17 1ji8 n PHE 66 Ca -0.27 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 1ji8 n PHE 66 Cb 0.58 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ji8 n GLY 67 N 2.11 1.34 3.48 1.37 0.00 -0.95 -4.95 105.19 107.59 1ji8 n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.92 -0.48 2.61 2.01 -1.26 -4.27 115.64 115.16 1ji8 s THR 68 Ca 0.00 -1.22 -0.09 0.00 0.31 0.00 0.00 61.69 60.69 1ji8 s THR 68 Cb 0.00 -2.27 0.12 0.00 0.01 0.00 0.00 72.50 70.37 1ji8 s THR 68 CO 0.00 0.28 0.36 0.00 -0.69 0.00 0.00 174.62 174.57 1ji8 s PRO 70 N 1.35 0.19 0.00 0.00 0.04 -1.26 -4.95 135.00 130.37 1ji8 s PRO 70 Ca 0.06 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.21 1ji8 s PRO 70 Cb -0.26 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1ji8 s PRO 70 CO -0.01 -2.80 0.00 -0.35 0.04 0.00 0.00 177.00 173.88 1ji8 n PRO 71 N -4.15 0.96 -2.74 0.56 -0.04 -1.26 -4.76 135.00 123.58 1ji8 n PRO 71 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1ji8 n PRO 71 Cb 0.59 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.04 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 -0.40 2.27 0.00 0.52 0.13 -1.26 -4.75 119.36 115.87 1ji8 n ILE 72 Ca 0.00 -4.96 0.00 0.00 -1.10 0.00 0.00 62.75 56.69 1ji8 n ILE 72 Cb 0.00 -1.03 0.00 0.00 -0.84 0.00 0.00 39.64 37.77 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1ji8 n LYS 73 N -0.28 0.00 0.24 9.51 5.02 -1.26 -4.84 118.16 126.55 1ji8 n LYS 73 Ca 0.32 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.74 1ji8 n LYS 73 Cb 0.58 -0.27 0.41 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 -0.05 1.97 2.86 -2.00 -3.08 114.93 114.62 1ji8 h MET 74 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1ji8 h MET 74 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1ji8 h MET 74 CO 0.00 0.07 -0.62 0.28 1.06 0.00 0.00 176.91 177.70 1ji8 h VAL 75 N 0.00 1.40 -1.43 -2.22 2.07 -1.88 -3.10 116.25 111.09 1ji8 h VAL 75 Ca -0.00 -2.04 0.42 0.00 0.82 0.00 0.00 66.70 65.90 1ji8 h VAL 75 Cb 0.80 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1ji8 h VAL 75 CO 0.01 0.60 0.99 0.74 0.02 0.00 0.00 177.57 179.93 1ji8 h THR 76 N 0.14 0.23 -0.06 2.57 2.02 -1.86 0.19 112.91 116.14 1ji8 h THR 76 Ca -0.01 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1ji8 h THR 76 Cb 1.13 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 1ji8 h THR 76 CO 0.09 0.01 -0.11 0.50 0.37 0.00 0.00 175.52 176.38 1ji8 h LYS 77 N 0.07 -0.16 0.19 6.66 1.63 -1.75 0.36 116.57 123.58 1ji8 h LYS 77 Ca 0.74 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.55 1ji8 h LYS 77 Cb 2.68 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 34.35 1ji8 h LYS 77 CO -0.16 -0.10 -0.09 1.49 -3.45 0.00 0.00 179.45 177.13 1ji8 h GLU 78 N -0.16 -0.25 0.00 1.90 4.81 -0.85 -3.40 114.58 116.63 1ji8 h GLU 78 Ca 0.06 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ji8 h GLU 78 Cb 0.25 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ji8 h GLU 78 CO -0.16 -0.16 0.00 0.25 -0.73 0.00 0.00 179.01 178.21 1ji8 n THR 79 N -3.39 0.00 0.00 0.32 -2.24 -0.97 -4.97 114.28 103.03 1ji8 n THR 79 Ca -0.03 1.02 0.00 0.00 -2.27 0.00 0.00 64.05 62.77 1ji8 n THR 79 Cb 0.10 -1.99 0.00 0.00 -2.10 0.00 0.00 70.33 66.34 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ji8 n GLY 80 N 0.37 1.12 3.25 3.38 0.00 0.13 -5.01 105.19 108.42 1ji8 n GLY 80 Ca 0.00 0.00 -0.31 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 -1.59 -1.53 -3.64 1.61 3.01 -1.26 -4.95 117.46 109.10 1ji8 n PHE 81 Ca 0.00 0.10 -0.36 0.00 1.01 0.00 0.00 57.45 58.19 1ji8 n PHE 81 Cb 0.00 -1.54 -0.06 0.00 -0.01 0.00 0.00 39.48 37.87 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 -1.88 6.63 0.36 4.37 1.04 -1.26 -4.96 113.70 118.00 1ji8 s SER 82 Ca 0.55 0.75 0.14 0.00 0.48 0.00 0.00 55.95 57.87 1ji8 s SER 82 Cb -0.11 -2.17 0.67 0.00 0.10 0.00 0.00 66.02 64.51 1ji8 s SER 82 CO 0.63 0.30 1.77 0.25 0.98 0.00 0.00 173.24 177.17 1ji8 h LEU 83 N 4.42 0.00 0.54 2.42 5.85 -1.97 -3.16 115.31 123.41 1ji8 h LEU 83 Ca -0.51 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.18 1ji8 h LEU 83 Cb 1.21 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.25 1ji8 h LEU 83 CO 0.63 0.42 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.80 1ji8 h GLU 84 N 0.00 -0.70 -0.06 1.25 4.81 -1.99 -0.77 114.58 117.12 1ji8 h GLU 84 Ca -0.00 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1ji8 h GLU 84 Cb 0.78 0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.26 1ji8 h GLU 84 CO 0.05 -0.44 -0.37 -0.22 -0.73 0.00 0.00 179.01 177.30 1ji8 h LYS 85 N -0.79 -0.48 -0.26 1.92 3.64 -1.98 0.18 116.57 118.81 1ji8 h LYS 85 Ca -0.07 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1ji8 h LYS 85 Cb 0.58 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1ji8 h LYS 85 CO 0.12 -0.32 0.25 0.82 -2.27 0.00 0.00 179.45 178.05 1ji8 h ILE 86 N -0.49 0.56 0.48 2.00 2.04 -1.51 -1.85 117.51 118.74 1ji8 h ILE 86 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1ji8 h ILE 86 Cb 0.60 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1ji8 h ILE 86 CO -0.33 0.00 -0.23 1.88 0.00 0.00 0.00 178.15 179.47 1ji8 h TYR 87 N 0.00 -0.60 -0.55 1.37 -1.99 0.89 -1.90 116.97 114.19 1ji8 h TYR 87 Ca 0.13 -0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.89 1ji8 h TYR 87 Cb 0.62 0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.52 1ji8 h TYR 87 CO 0.00 -0.30 0.36 0.37 -0.00 0.00 0.00 178.16 178.59 1ji8 h GLN 88 N -1.08 0.54 0.12 4.88 5.75 -0.97 -2.62 115.11 121.73 1ji8 h GLN 88 Ca -0.07 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1ji8 h GLN 88 Cb 0.57 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.99 1ji8 h GLN 88 CO 0.11 0.36 -0.06 -0.07 -2.65 0.00 0.00 178.83 176.52 1ji8 h LEU 89 N 0.56 -0.14 -7.95 -2.39 3.38 -1.34 -3.43 115.31 104.01 1ji8 h LEU 89 Ca 0.23 -0.23 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1ji8 h LEU 89 Cb 0.20 0.04 -0.34 0.00 0.09 0.00 0.00 40.66 40.65 1ji8 h LEU 89 CO -0.06 0.16 -0.81 0.12 0.09 0.00 0.00 178.44 177.93 1ji8 s PHE 90 N -5.01 1.49 0.64 1.13 2.19 -0.72 -5.11 117.98 112.59 1ji8 s PHE 90 Ca -0.15 -0.58 -0.14 0.00 0.33 0.00 0.00 56.93 56.39 1ji8 s PHE 90 Cb 0.03 -1.11 -0.01 0.00 -1.31 0.00 0.00 43.02 40.62 1ji8 s PHE 90 CO 0.63 -0.32 1.07 -1.25 1.83 0.00 0.00 175.22 177.18 1ji8 s PRO 91 N 0.80 3.06 -1.50 10.12 0.04 -1.25 -3.41 135.00 142.86 1ji8 s PRO 91 Ca -0.12 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1ji8 s PRO 91 Cb -0.15 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1ji8 s PRO 91 CO 0.02 -1.02 0.15 0.43 0.04 0.00 0.00 177.00 176.62 1ji8 n SER 92 N -2.44 -5.24 -1.48 6.66 7.64 -1.26 -4.52 113.62 112.98 1ji8 n SER 92 Ca 0.09 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1ji8 n SER 92 Cb 0.53 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 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 -1.06 -4.16 0.00 0.23 0.00 -1.22 -4.92 105.19 94.06 1ji8 n GLY 93 Ca -0.18 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.05 0.00 0.00 1.61 -0.04 -1.26 -4.62 135.00 128.64 1ji8 n PRO 94 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ji8 n PRO 94 Cb 0.32 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 1ji8 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ji8 n ALA 95 N -3.00 0.00 -0.09 0.55 0.00 -1.26 -1.05 120.51 115.66 1ji8 n ALA 95 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1ji8 n ALA 95 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 0.60 -0.59 0.00 3.86 -1.88 -2.76 115.15 114.38 1ji8 h HIS 96 Ca 0.00 -0.14 -0.06 0.00 -1.16 0.00 0.00 60.37 59.01 1ji8 h HIS 96 Cb 0.00 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1ji8 h HIS 96 CO 0.00 0.77 0.14 0.78 0.86 0.00 0.00 177.93 180.47 1ji8 h GLY 97 N 0.26 1.02 0.57 2.45 0.00 -1.35 -1.88 103.07 104.14 1ji8 h GLY 97 Ca 0.06 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 46.79 1ji8 h GLY 97 CO 0.03 0.60 0.02 0.00 0.00 0.00 0.00 176.54 177.19 1ji8 h ALA 98 N 1.03 0.28 0.43 3.60 0.00 -1.64 -2.03 119.26 120.93 1ji8 h ALA 98 Ca 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ji8 h ALA 98 Cb 0.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ji8 h ALA 98 CO 0.00 -0.39 -0.21 0.00 0.00 0.00 0.00 179.25 178.65 1ji8 h LYS 100 N -0.79 0.00 -0.54 0.00 3.64 -1.17 0.67 116.57 118.38 1ji8 h LYS 100 Ca -0.06 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1ji8 h LYS 100 Cb 0.54 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1ji8 h LYS 100 CO 0.10 0.00 0.03 0.28 -2.27 0.00 0.00 179.45 177.59 1ji8 h VAL 101 N 0.00 1.25 0.00 2.00 2.07 -1.28 -1.77 116.25 118.52 1ji8 h VAL 101 Ca 0.43 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1ji8 h VAL 101 Cb 0.66 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1ji8 h VAL 101 CO -0.90 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.06 1ji8 n ALA 102 N -2.47 1.90 -3.16 1.67 0.00 0.21 -4.72 120.51 113.93 1ji8 n ALA 102 Ca 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1ji8 n ALA 102 Cb 0.30 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.52 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 0.37 -0.19 3.39 0.00 0.00 0.36 -4.98 105.19 104.14 1ji8 n GLY 103 Ca 0.06 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.27 3.24 1.13 4.61 0.00 -1.17 -4.88 121.76 121.42 1ji8 s ALA 104 Ca 0.09 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.30 1ji8 s ALA 104 Cb -0.04 -2.45 0.26 0.00 0.00 0.00 0.00 23.12 20.89 1ji8 s ALA 104 CO 0.57 -1.15 1.17 -1.25 0.00 0.00 0.00 175.76 175.09 1ji8 s PRO 105 N 1.56 -0.66 0.46 0.00 0.04 -1.26 -4.78 135.00 130.36 1ji8 s PRO 105 Ca 0.03 -0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.00 1ji8 s PRO 105 Cb -0.18 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1ji8 s PRO 105 CO 0.06 -3.32 0.42 0.15 0.04 0.00 0.00 177.00 174.34 1ji8 s LYS 106 N -5.52 2.44 -1.09 4.56 1.02 -1.26 -4.90 119.74 114.99 1ji8 s LYS 106 Ca 0.71 -1.66 -0.23 0.00 0.02 0.00 0.00 55.97 54.82 1ji8 s LYS 106 Cb -0.08 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1ji8 s LYS 106 CO 0.55 -0.35 1.83 -1.25 -0.92 0.00 0.00 175.35 175.21 1ji8 s PRO 107 N -4.21 2.94 0.00 -1.68 0.04 -1.26 -4.46 135.00 126.38 1ji8 s PRO 107 Ca 0.46 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1ji8 s PRO 107 Cb -0.03 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.26 1ji8 s PRO 107 CO 0.27 -3.21 0.00 0.25 0.04 0.00 0.00 177.00 174.35 1ji8 n THR 108 N 7.44 0.00 -3.66 1.26 -2.24 -1.26 -5.00 114.28 110.82 1ji8 n THR 108 Ca 0.42 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.10 1ji8 n THR 108 Cb 0.47 -1.05 -0.11 0.00 -2.10 0.00 0.00 70.33 67.55 1ji8 n THR 108 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ji8 s GLY 109 N -4.88 -0.29 -1.87 3.38 0.00 -1.26 -4.86 107.32 97.52 1ji8 s GLY 109 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 44.72 46.08 1ji8 s GLY 109 CO 0.00 2.21 0.00 0.00 0.00 0.00 0.00 173.10 175.31