#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 2.81 0.67 2.12 0.04 -1.26 -4.98 135.00 134.39 1ji8 s PRO 2 Ca 0.00 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.10 1ji8 s PRO 2 Cb 0.00 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1ji8 s PRO 2 CO 0.00 -2.64 1.11 0.14 0.04 0.00 0.00 177.00 175.65 1ji8 s VAL 3 N 8.16 3.28 0.16 -0.36 -7.23 -1.26 -5.06 120.40 118.09 1ji8 s VAL 3 Ca 0.58 0.57 0.06 0.00 -1.81 0.00 0.00 61.98 61.39 1ji8 s VAL 3 Cb -0.10 -3.09 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1ji8 s VAL 3 CO 0.15 -0.39 -0.13 -1.59 -0.31 0.00 0.00 175.10 172.83 1ji8 s LYS 4 N -4.19 1.14 0.06 4.82 -2.85 -1.26 -5.13 119.74 112.34 1ji8 s LYS 4 Ca 0.66 -1.41 0.08 0.00 -1.00 0.00 0.00 55.97 54.30 1ji8 s LYS 4 Cb -0.20 -0.91 -0.03 0.00 -2.06 0.00 0.00 37.83 34.62 1ji8 s LYS 4 CO 0.43 0.15 -0.19 0.00 0.10 0.00 0.00 175.35 175.84 1ji8 s PRO 6 N -1.61 0.48 -0.02 0.00 0.04 -1.16 -4.79 135.00 127.92 1ji8 s PRO 6 Ca 0.15 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 1ji8 s PRO 6 Cb -0.10 -1.79 0.12 0.00 0.04 0.00 0.00 34.50 32.76 1ji8 s PRO 6 CO 0.06 -2.59 1.30 0.20 0.04 0.00 0.00 177.00 176.02 1ji8 s GLY 7 N -4.28 -0.33 -0.15 0.56 0.00 -0.74 -4.94 107.32 97.44 1ji8 s GLY 7 Ca 0.68 0.51 -0.13 0.00 0.00 0.00 0.00 44.72 45.79 1ji8 s GLY 7 CO 0.54 1.85 0.39 1.85 0.00 0.00 0.00 173.10 177.72 1ji8 s GLU 8 N -2.25 0.44 0.24 2.90 -6.30 -1.26 -0.47 118.70 112.00 1ji8 s GLU 8 Ca 0.19 0.58 -0.05 0.00 -2.50 0.00 0.00 54.97 53.18 1ji8 s GLU 8 Cb 0.04 0.18 -0.02 0.00 0.00 0.00 0.00 34.13 34.32 1ji8 s GLU 8 CO -0.03 -0.07 0.30 0.71 0.02 0.00 0.00 175.26 176.19 1ji8 s TYR 9 N 0.40 0.88 -0.36 5.30 2.02 -0.67 -4.98 117.35 119.94 1ji8 s TYR 9 Ca -0.02 -1.14 -0.11 0.00 -0.37 0.00 0.00 57.07 55.44 1ji8 s TYR 9 Cb -0.04 -0.24 0.02 0.00 -0.40 0.00 0.00 41.96 41.30 1ji8 s TYR 9 CO -0.02 -0.83 0.19 -1.14 -1.57 0.00 0.00 175.55 172.18 1ji8 s GLN 10 N -3.96 2.95 -0.29 -0.62 2.00 -1.26 -1.96 119.66 116.52 1ji8 s GLN 10 Ca 0.32 -0.99 0.02 0.00 -2.00 0.00 0.00 55.36 52.71 1ji8 s GLN 10 Cb 0.03 -3.69 0.07 0.00 0.80 0.00 0.00 33.01 30.22 1ji8 s GLN 10 CO 0.13 -0.63 -0.05 0.08 -0.50 0.00 0.00 175.29 174.32 1ji8 s VAL 11 N 1.57 2.37 -0.63 1.34 1.01 -0.78 -4.79 120.40 120.49 1ji8 s VAL 11 Ca 0.03 -1.74 -0.02 0.00 0.00 0.00 0.00 61.98 60.24 1ji8 s VAL 11 Cb -0.19 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1ji8 s VAL 11 CO 0.06 -0.17 0.57 -0.67 0.00 0.00 0.00 175.10 174.89 1ji8 n ASP 12 N 4.44 -5.63 -2.87 3.32 -0.08 -1.26 -2.76 116.55 111.71 1ji8 n ASP 12 Ca -0.10 -0.28 -0.12 0.00 -1.51 0.00 0.00 54.79 52.77 1ji8 n ASP 12 Cb 0.42 -3.89 -0.01 0.00 2.34 0.00 0.00 41.12 39.98 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ji8 n GLY 13 N -1.42 -0.49 3.36 0.27 0.00 -1.26 -4.89 105.19 100.77 1ji8 n GLY 13 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -5.44 1.41 -0.22 1.61 1.02 -1.11 -5.13 119.74 111.87 1ji8 s LYS 14 Ca 0.17 -1.71 0.02 0.00 0.02 0.00 0.00 55.97 54.46 1ji8 s LYS 14 Cb -0.09 -0.83 0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1ji8 s LYS 14 CO 0.20 -0.04 -0.12 0.15 -0.92 0.00 0.00 175.35 174.63 1ji8 s LYS 15 N -3.80 2.23 0.03 1.68 1.02 -1.26 -1.87 119.74 117.76 1ji8 s LYS 15 Ca 0.28 -1.04 0.04 0.00 0.02 0.00 0.00 55.97 55.27 1ji8 s LYS 15 Cb 0.05 -2.63 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1ji8 s LYS 15 CO 0.10 -0.46 -0.07 0.08 -0.92 0.00 0.00 175.35 174.08 1ji8 s VAL 16 N 1.27 3.63 -0.19 3.17 1.01 -0.83 -4.97 120.40 123.49 1ji8 s VAL 16 Ca -0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 1ji8 s VAL 16 Cb -0.17 -2.61 0.06 0.00 0.00 0.00 0.00 36.38 33.66 1ji8 s VAL 16 CO -0.08 0.32 0.07 -0.51 0.00 0.00 0.00 175.10 174.90 1ji8 s ILE 17 N -1.06 0.19 0.13 2.22 2.07 -1.26 -1.67 121.20 121.81 1ji8 s ILE 17 Ca 0.19 -0.37 -0.30 0.00 -1.41 0.00 0.00 60.65 58.76 1ji8 s ILE 17 Cb -0.11 -0.80 -0.06 0.00 0.13 0.00 0.00 42.46 41.62 1ji8 s ILE 17 CO 0.10 -0.27 1.02 -0.76 -1.91 0.00 0.00 174.94 173.12 1ji8 s LEU 18 N 2.01 4.49 0.00 8.50 1.43 0.38 -4.17 118.68 131.32 1ji8 s LEU 18 Ca 0.01 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1ji8 s LEU 18 Cb -0.16 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1ji8 s LEU 18 CO -0.09 -0.14 0.00 -0.67 0.23 0.00 0.00 176.35 175.67 1ji8 n ASP 19 N 2.74 -1.03 0.24 2.29 -0.08 -0.88 -1.80 116.55 118.04 1ji8 n ASP 19 Ca 0.03 -0.28 0.16 0.00 -1.51 0.00 0.00 54.79 53.19 1ji8 n ASP 19 Cb 0.48 0.00 0.73 0.00 2.34 0.00 0.00 41.12 44.68 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ji8 h GLU 20 N 0.00 0.00 -0.72 -0.67 4.81 -1.92 -2.69 114.58 113.38 1ji8 h GLU 20 Ca 0.00 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.72 1ji8 h GLU 20 Cb 0.00 0.00 -0.33 0.00 0.63 0.00 0.00 28.75 29.05 1ji8 h GLU 20 CO 0.00 0.00 -0.30 -0.25 -0.73 0.00 0.00 179.01 177.73 1ji8 n ASP 21 N -2.76 5.09 -4.03 1.04 9.92 -1.26 -4.37 116.55 120.18 1ji8 n ASP 21 Ca -0.00 -3.77 -0.33 0.00 -0.53 0.00 0.00 54.79 50.15 1ji8 n ASP 21 Cb 0.20 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 40.12 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 -3.20 3.48 -0.90 0.00 0.40 -1.26 -4.79 117.98 111.71 1ji8 s PHE 23 Ca 0.68 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 57.11 1ji8 s PHE 23 Cb -0.37 -1.82 0.13 0.00 0.51 0.00 0.00 43.02 41.48 1ji8 s PHE 23 CO 0.83 0.37 1.09 1.41 0.70 0.00 0.00 175.22 179.62 1ji8 s MET 24 N -3.47 3.57 0.00 0.44 1.75 -1.26 -2.07 119.30 118.26 1ji8 s MET 24 Ca 0.38 -1.76 0.29 0.00 -1.25 0.00 0.00 55.69 53.36 1ji8 s MET 24 Cb -0.11 -4.84 1.34 0.00 2.84 0.00 0.00 34.83 34.06 1ji8 s MET 24 CO 0.30 -1.74 1.92 0.00 -0.65 0.00 0.00 175.02 174.85 1ji8 n GLN 25 N 6.43 0.72 -3.08 4.11 10.64 -1.26 -4.02 117.38 130.92 1ji8 n GLN 25 Ca 0.21 -0.20 -0.26 0.00 -1.83 0.00 0.00 57.00 54.92 1ji8 n GLN 25 Cb 0.49 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.32 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1ji8 n ASN 26 N -0.96 4.05 0.16 2.61 5.15 -1.26 -4.82 115.26 120.18 1ji8 n ASN 26 Ca 0.16 -3.58 0.13 0.00 -0.60 0.00 0.00 54.58 50.69 1ji8 n ASN 26 Cb 0.26 -0.59 0.49 0.00 -0.53 0.00 0.00 39.78 39.41 1ji8 n ASN 26 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1ji8 h PRO 27 N 3.30 0.00 0.00 1.20 0.13 -1.85 -3.01 132.00 131.78 1ji8 h PRO 27 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1ji8 h PRO 27 Cb 0.57 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 1ji8 h PRO 27 CO 0.80 0.00 -0.11 1.05 -0.23 0.00 0.00 178.00 179.52 1ji8 h GLU 28 N 0.00 0.00 -0.05 0.86 9.09 -1.95 -1.88 114.58 120.65 1ji8 h GLU 28 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ji8 h GLU 28 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1ji8 h GLU 28 CO 0.00 0.11 0.00 -0.25 0.05 0.00 0.00 179.01 178.92 1ji8 n ASP 29 N -3.69 2.67 -4.42 3.06 8.00 -1.14 -5.00 116.55 116.02 1ji8 n ASP 29 Ca -0.02 -1.82 -0.40 0.00 0.71 0.00 0.00 54.79 53.26 1ji8 n ASP 29 Cb 0.22 -0.01 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 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 1.11 -0.98 -2.95 1.24 -0.00 -0.71 -4.97 117.44 110.18 1ji8 n TRP 30 Ca 0.12 0.51 0.00 0.00 -0.00 0.00 0.00 57.50 58.13 1ji8 n TRP 30 Cb 0.49 -1.92 0.00 0.00 -0.00 0.00 0.00 31.31 29.88 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 1.16 0.00 0.03 5.87 2.03 -1.26 -5.01 116.55 119.37 1ji8 n ASP 31 Ca 0.11 -0.85 -0.09 0.00 0.52 0.00 0.00 54.79 54.48 1ji8 n ASP 31 Cb 0.44 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ji8 h GLU 32 N 0.00 -0.18 -0.08 -0.67 4.81 -2.00 -2.32 114.58 114.14 1ji8 h GLU 32 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ji8 h GLU 32 Cb 0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ji8 h GLU 32 CO 0.00 0.23 -0.04 0.87 -0.73 0.00 0.00 179.01 179.34 1ji8 h LYS 33 N -0.93 0.11 0.00 1.92 1.79 -1.97 -1.96 116.57 115.53 1ji8 h LYS 33 Ca -0.02 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1ji8 h LYS 33 Cb 0.49 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1ji8 h LYS 33 CO 0.03 0.17 -0.00 0.28 -1.08 0.00 0.00 179.45 178.85 1ji8 h VAL 34 N 0.11 1.39 0.08 0.50 2.07 -1.87 -1.66 116.25 116.87 1ji8 h VAL 34 Ca 0.03 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1ji8 h VAL 34 Cb 0.15 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1ji8 h VAL 34 CO 0.01 0.30 -0.04 0.00 0.02 0.00 0.00 177.57 177.86 1ji8 h ALA 35 N 0.49 -0.11 0.58 1.67 0.00 -1.16 -1.94 119.26 118.78 1ji8 h ALA 35 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ji8 h ALA 35 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ji8 h ALA 35 CO 0.00 -0.56 -0.39 1.49 0.00 0.00 0.00 179.25 179.78 1ji8 h GLU 36 N -0.11 -0.90 -1.07 0.00 4.81 -1.43 -1.91 114.58 113.97 1ji8 h GLU 36 Ca -0.01 0.06 0.29 0.00 -0.13 0.00 0.00 59.36 59.57 1ji8 h GLU 36 Cb 0.09 0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.57 1ji8 h GLU 36 CO 0.01 -0.60 0.68 2.35 -0.73 0.00 0.00 179.01 180.73 1ji8 h TRP 37 N -0.93 0.69 0.52 0.92 7.01 -1.24 -1.19 115.95 121.72 1ji8 h TRP 37 Ca -0.07 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 60.93 1ji8 h TRP 37 Cb 0.77 -0.19 0.01 0.00 -2.10 0.00 0.00 29.16 27.64 1ji8 h TRP 37 CO -0.13 0.01 -0.25 1.25 -2.79 0.00 0.00 178.44 176.53 1ji8 h LEU 38 N 0.37 -0.59 -1.96 0.65 6.46 -0.61 -2.39 115.31 117.24 1ji8 h LEU 38 Ca 0.64 -0.06 0.21 0.00 -0.12 0.00 0.00 57.88 58.55 1ji8 h LEU 38 Cb 1.63 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.69 1ji8 h LEU 38 CO -0.35 -0.24 0.59 0.00 -0.62 0.00 0.00 178.44 177.83 1ji8 h ALA 39 N -0.69 2.61 0.31 1.25 0.00 -0.53 -1.80 119.26 120.41 1ji8 h ALA 39 Ca -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ji8 h ALA 39 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ji8 h ALA 39 CO 0.12 -0.97 -0.15 -0.09 0.00 0.00 0.00 179.25 178.16 1ji8 h ARG 40 N 0.00 -0.40 -1.03 0.00 2.43 -1.08 0.18 114.38 114.47 1ji8 h ARG 40 Ca 0.35 0.03 0.26 0.00 -0.81 0.00 0.00 59.98 59.81 1ji8 h ARG 40 Cb 1.53 0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 31.07 1ji8 h ARG 40 CO -0.00 -0.27 0.66 0.93 -1.51 0.00 0.00 179.97 179.77 1ji8 h GLU 41 N -0.85 0.42 0.00 0.20 3.07 -0.93 -2.72 114.58 113.78 1ji8 h GLU 41 Ca -0.04 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1ji8 h GLU 41 Cb 0.32 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1ji8 h GLU 41 CO 0.07 0.28 0.00 1.28 -1.40 0.00 0.00 179.01 179.24 1ji8 n LEU 42 N -4.67 1.54 0.00 1.33 7.99 -0.73 -4.85 117.00 117.61 1ji8 n LEU 42 Ca 0.25 0.22 0.00 0.00 -0.01 0.00 0.00 56.01 56.48 1ji8 n LEU 42 Cb 0.85 -0.23 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 1ji8 n LEU 42 CO 0.24 -0.23 0.00 1.21 -1.51 0.00 0.00 177.39 177.10 1ji8 n GLU 43 N -1.23 0.00 0.00 3.23 0.00 0.43 -5.04 120.64 118.03 1ji8 n GLU 43 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 57.16 57.28 1ji8 n GLU 43 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 31.44 30.89 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ji8 n GLY 44 N 2.30 0.00 3.57 8.31 0.00 -0.05 -4.90 105.19 114.42 1ji8 n GLY 44 Ca 0.00 0.00 -0.42 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 3.92 -0.43 -0.61 1.01 -1.22 -4.84 121.20 119.02 1ji8 s ILE 45 Ca 0.00 0.76 0.25 0.00 0.00 0.00 0.00 60.65 61.65 1ji8 s ILE 45 Cb 0.00 -4.76 0.34 0.00 0.01 0.00 0.00 42.46 38.05 1ji8 s ILE 45 CO 0.00 -1.47 1.68 1.56 0.00 0.00 0.00 174.94 176.71 1ji8 h GLN 46 N 9.79 0.00 -1.72 2.79 4.20 -1.95 -3.40 115.11 124.83 1ji8 h GLN 46 Ca -0.26 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.22 1ji8 h GLN 46 Cb 1.06 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.55 1ji8 h GLN 46 CO 1.21 0.00 -0.57 0.21 -0.67 0.00 0.00 178.83 179.01 1ji8 s LYS 47 N -3.24 0.51 -0.57 1.46 2.20 -1.26 -5.09 119.74 113.75 1ji8 s LYS 47 Ca 0.07 -0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.19 1ji8 s LYS 47 Cb 0.07 -0.39 -0.12 0.00 -1.51 0.00 0.00 37.83 35.87 1ji8 s LYS 47 CO 0.64 -1.09 2.42 -1.33 -0.36 0.00 0.00 175.35 175.62 1ji8 n MET 48 N 4.97 0.81 -0.73 4.03 2.81 -1.26 -4.88 117.12 122.86 1ji8 n MET 48 Ca 0.04 0.10 -0.32 0.00 -1.81 0.00 0.00 57.70 55.72 1ji8 n MET 48 Cb 0.49 -2.64 0.15 0.00 -0.71 0.00 0.00 33.22 30.51 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 7.63 0.00 -0.27 2.03 5.66 -1.26 -4.63 114.28 123.44 1ji8 n THR 49 Ca 0.46 -0.11 0.15 0.00 -3.05 0.00 0.00 64.05 61.50 1ji8 n THR 49 Cb 0.31 -0.80 0.43 0.00 -1.55 0.00 0.00 70.33 68.72 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 -1.75 0.56 -0.43 1.09 4.57 -2.01 0.11 114.58 116.71 1ji8 h GLU 50 Ca -0.44 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 1ji8 h GLU 50 Cb 1.28 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1ji8 h GLU 50 CO 0.38 0.37 0.11 0.93 -1.18 0.00 0.00 179.01 179.62 1ji8 h GLU 51 N 0.57 0.64 0.72 1.92 3.07 -1.99 -1.62 114.58 117.89 1ji8 h GLU 51 Ca 0.48 -0.11 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 1ji8 h GLU 51 Cb 0.96 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1ji8 h GLU 51 CO -0.22 0.58 -0.34 0.45 -1.40 0.00 0.00 179.01 178.07 1ji8 h HIS 52 N 0.63 -0.89 -0.60 4.33 3.86 -1.08 -2.37 115.15 119.02 1ji8 h HIS 52 Ca 0.15 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.41 1ji8 h HIS 52 Cb 0.22 0.30 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1ji8 h HIS 52 CO 0.01 -0.56 0.40 -1.49 0.86 0.00 0.00 177.93 177.15 1ji8 h TRP 53 N -1.21 0.51 0.86 2.45 -0.00 -1.50 -2.31 115.95 114.76 1ji8 h TRP 53 Ca -0.10 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.76 1ji8 h TRP 53 Cb 0.74 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 29.74 1ji8 h TRP 53 CO 0.01 0.26 -0.41 -0.22 -0.00 0.00 0.00 178.44 178.07 1ji8 h LYS 54 N 0.49 -1.12 -0.99 0.49 3.64 -1.23 -0.27 116.57 117.60 1ji8 h LYS 54 Ca 0.27 0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.90 1ji8 h LYS 54 Cb 0.41 0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 1ji8 h LYS 54 CO -0.08 -0.74 0.61 1.25 -2.27 0.00 0.00 179.45 178.22 1ji8 h LEU 55 N -1.30 0.77 -1.08 5.20 5.85 -1.22 0.20 115.31 123.72 1ji8 h LEU 55 Ca -0.12 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 1ji8 h LEU 55 Cb 0.89 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1ji8 h LEU 55 CO 0.19 0.32 -0.41 0.58 -0.34 0.00 0.00 178.44 178.78 1ji8 h VAL 56 N 0.77 1.31 -0.01 1.05 2.07 -1.26 -1.96 116.25 118.21 1ji8 h VAL 56 Ca 0.54 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1ji8 h VAL 56 Cb 0.83 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1ji8 h VAL 56 CO -0.32 0.43 -0.00 0.11 0.02 0.00 0.00 177.57 177.81 1ji8 h LYS 57 N 0.07 0.02 -0.25 1.57 1.57 0.12 -2.49 116.57 117.18 1ji8 h LYS 57 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1ji8 h LYS 57 Cb 0.77 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1ji8 h LYS 57 CO 0.06 0.35 -0.22 -0.92 -0.57 0.00 0.00 179.45 178.14 1ji8 h TYR 58 N -0.31 0.51 -0.19 -1.35 3.20 -1.39 -2.64 116.97 114.80 1ji8 h TYR 58 Ca 0.00 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 61.74 1ji8 h TYR 58 Cb 0.34 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1ji8 h TYR 58 CO 0.04 0.66 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.11 1ji8 h LEU 59 N 0.41 0.27 -0.03 2.82 -0.00 -1.26 -2.89 115.31 114.62 1ji8 h LEU 59 Ca 0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 1ji8 h LEU 59 Cb 0.62 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.21 1ji8 h LEU 59 CO 0.04 0.35 0.00 -0.09 -0.00 0.00 0.00 178.44 178.74 1ji8 h ARG 60 N 0.28 0.06 -0.88 1.13 2.43 -1.07 -1.85 114.38 114.48 1ji8 h ARG 60 Ca 0.06 -0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.45 1ji8 h ARG 60 Cb 0.25 -0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 29.64 1ji8 h ARG 60 CO 0.01 0.35 0.09 0.93 -1.51 0.00 0.00 179.97 179.84 1ji8 h GLU 61 N -0.24 0.10 -0.03 0.20 4.39 -1.48 0.67 114.58 118.20 1ji8 h GLU 61 Ca 0.01 -0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1ji8 h GLU 61 Cb 0.32 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1ji8 h GLU 61 CO 0.00 0.06 -0.73 -0.92 -1.16 0.00 0.00 179.01 176.27 1ji8 h TYR 62 N 0.10 0.23 -0.05 4.33 5.03 -1.56 -2.85 116.97 122.19 1ji8 h TYR 62 Ca 0.53 -0.10 0.00 0.00 2.58 0.00 0.00 58.73 61.74 1ji8 h TYR 62 Cb 1.05 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.30 1ji8 h TYR 62 CO -0.40 0.83 0.00 1.87 -1.32 0.00 0.00 178.16 179.14 1ji8 n TRP 63 N -3.75 0.07 0.08 -3.82 -0.00 0.21 -2.41 117.44 107.82 1ji8 n TRP 63 Ca -0.02 -0.04 0.04 0.00 -0.00 0.00 0.00 57.50 57.48 1ji8 n TRP 63 Cb 0.70 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.96 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 -0.38 1.29 -0.07 5.87 2.13 0.06 -4.30 120.64 125.24 1ji8 n GLU 64 Ca 0.05 -0.05 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 1ji8 n GLU 64 Cb 0.06 -1.09 -0.06 0.00 0.27 0.00 0.00 31.44 30.63 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 -1.61 0.78 -0.07 6.31 -1.04 -1.20 -4.77 114.28 112.69 1ji8 n THR 65 Ca -0.01 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1ji8 n THR 65 Cb 0.17 -1.41 -0.12 0.00 -1.82 0.00 0.00 70.33 67.15 1ji8 n THR 65 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1ji8 h PHE 66 N -0.31 -0.00 0.00 -1.42 3.04 -1.76 -3.49 116.94 113.00 1ji8 h PHE 66 Ca -0.34 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.61 1ji8 h PHE 66 Cb 1.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.89 1ji8 h PHE 66 CO -0.02 0.90 0.00 0.41 -2.02 0.00 0.00 178.31 177.58 1ji8 n GLY 67 N 1.60 1.86 3.70 2.40 0.00 -1.24 -5.08 105.19 108.42 1ji8 n GLY 67 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ji8 s THR 68 N -2.00 0.00 -0.36 2.61 -1.32 -1.26 -5.02 115.64 108.30 1ji8 s THR 68 Ca 0.00 -0.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.94 1ji8 s THR 68 Cb 0.00 -1.81 0.08 0.00 -1.51 0.00 0.00 72.50 69.26 1ji8 s THR 68 CO 0.00 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.51 1ji8 s PRO 70 N 1.19 0.48 0.00 0.00 0.04 -1.26 -4.93 135.00 130.51 1ji8 s PRO 70 Ca 0.02 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1ji8 s PRO 70 Cb -0.21 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ji8 s PRO 70 CO -0.03 -2.63 0.00 -0.35 0.04 0.00 0.00 177.00 174.03 1ji8 n PRO 71 N -4.05 -0.68 -2.61 0.56 -0.04 -1.26 -4.93 135.00 121.98 1ji8 n PRO 71 Ca 0.08 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1ji8 n PRO 71 Cb 0.59 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.06 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 -2.32 5.63 -0.03 0.52 2.08 -1.26 -4.64 119.36 119.33 1ji8 n ILE 72 Ca 0.00 -5.58 -0.04 0.00 0.56 0.00 0.00 62.75 57.69 1ji8 n ILE 72 Cb 0.00 -1.84 -0.01 0.00 -0.75 0.00 0.00 39.64 37.03 1ji8 n ILE 72 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1ji8 n LYS 73 N 0.93 0.23 0.24 0.38 0.00 -1.26 -4.38 118.16 114.30 1ji8 n LYS 73 Ca 0.43 0.09 0.15 0.00 0.00 0.00 0.00 58.31 58.98 1ji8 n LYS 73 Cb 0.29 -0.85 0.45 0.00 0.00 0.00 0.00 35.03 34.91 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1ji8 h MET 74 N -0.44 0.00 0.00 1.64 2.86 -2.00 -3.06 114.93 113.93 1ji8 h MET 74 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1ji8 h MET 74 Cb 0.44 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1ji8 h MET 74 CO 0.00 0.00 -0.69 0.28 1.06 0.00 0.00 176.91 177.56 1ji8 h VAL 75 N 0.00 1.49 -0.70 -2.22 2.07 -1.84 -3.11 116.25 111.94 1ji8 h VAL 75 Ca 0.00 -2.35 0.02 0.00 0.82 0.00 0.00 66.70 65.19 1ji8 h VAL 75 Cb 0.71 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.72 1ji8 h VAL 75 CO 0.00 0.67 0.46 0.74 0.02 0.00 0.00 177.57 179.47 1ji8 h THR 76 N 0.00 1.13 0.00 2.57 2.02 -1.73 -1.00 112.91 115.90 1ji8 h THR 76 Ca -0.01 -0.31 -0.15 0.00 0.77 0.00 0.00 66.41 66.72 1ji8 h THR 76 Cb 1.22 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1ji8 h THR 76 CO 0.09 0.16 -0.70 0.50 0.37 0.00 0.00 175.52 175.94 1ji8 h LYS 77 N 0.89 0.00 0.00 6.66 3.64 -1.70 -2.26 116.57 123.81 1ji8 h LYS 77 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1ji8 h LYS 77 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ji8 h LYS 77 CO -0.07 0.70 0.00 -1.91 -2.27 0.00 0.00 179.45 175.90 1ji8 n GLU 78 N -3.45 0.00 0.04 1.90 4.07 -0.65 -4.58 120.64 117.98 1ji8 n GLU 78 Ca 0.00 0.19 -0.13 0.00 -0.06 0.00 0.00 57.16 57.16 1ji8 n GLU 78 Cb 0.75 -0.68 -0.09 0.00 -0.06 0.00 0.00 31.44 31.36 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 1.14 0.00 6.31 1.35 -1.42 -3.47 112.91 116.82 1ji8 h THR 79 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1ji8 h THR 79 Cb 0.00 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1ji8 h THR 79 CO 0.00 0.20 0.00 0.61 -0.25 0.00 0.00 175.52 176.08 1ji8 n GLY 80 N -0.14 1.12 3.59 5.82 0.00 -0.85 -5.04 105.19 109.69 1ji8 n GLY 80 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 1.68 0.33 1.61 0.40 -1.26 -4.93 117.98 113.82 1ji8 s PHE 81 Ca 0.00 0.68 -0.28 0.00 -0.60 0.00 0.00 56.93 56.73 1ji8 s PHE 81 Cb 0.00 -4.07 -0.12 0.00 0.51 0.00 0.00 43.02 39.33 1ji8 s PHE 81 CO 0.00 -2.98 1.33 0.45 0.70 0.00 0.00 175.22 174.72 1ji8 n SER 82 N 11.00 2.88 0.28 1.36 2.88 -1.26 -4.72 113.62 126.03 1ji8 n SER 82 Ca 0.24 1.20 0.11 0.00 -1.33 0.00 0.00 58.87 59.09 1ji8 n SER 82 Cb 0.48 -1.49 0.76 0.00 -0.75 0.00 0.00 64.21 63.20 1ji8 n SER 82 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1ji8 h LEU 83 N 2.80 0.00 -0.05 2.46 5.85 -1.91 -2.48 115.31 121.97 1ji8 h LEU 83 Ca -0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 1ji8 h LEU 83 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 1ji8 h LEU 83 CO 0.64 0.01 0.02 -0.08 -0.34 0.00 0.00 178.44 178.68 1ji8 h GLU 84 N 0.00 0.08 -0.12 1.25 4.57 -2.00 -2.17 114.58 116.20 1ji8 h GLU 84 Ca -0.00 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1ji8 h GLU 84 Cb 0.01 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 1ji8 h GLU 84 CO 0.00 0.26 -0.33 -0.22 -1.18 0.00 0.00 179.01 177.54 1ji8 h LYS 85 N -0.11 -0.40 -0.97 1.92 3.64 -1.81 -0.42 116.57 118.42 1ji8 h LYS 85 Ca 0.02 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 1ji8 h LYS 85 Cb 0.21 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 1ji8 h LYS 85 CO -0.00 -0.27 0.61 0.82 -2.27 0.00 0.00 179.45 178.35 1ji8 h ILE 86 N -0.41 0.92 -0.68 2.00 2.04 -1.53 -0.08 117.51 119.76 1ji8 h ILE 86 Ca 0.09 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ji8 h ILE 86 Cb 0.56 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.51 1ji8 h ILE 86 CO -0.35 0.17 0.43 1.88 0.00 0.00 0.00 178.15 180.29 1ji8 h TYR 87 N 0.93 0.87 0.00 1.37 -1.99 -0.43 0.19 116.97 117.91 1ji8 h TYR 87 Ca 0.47 0.01 -0.12 0.00 2.00 0.00 0.00 58.73 61.10 1ji8 h TYR 87 Cb 0.51 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 1ji8 h TYR 87 CO -0.00 0.56 -0.56 0.37 -0.00 0.00 0.00 178.16 178.52 1ji8 h GLN 88 N 0.93 0.00 -0.01 4.88 4.15 -0.13 -3.05 115.11 121.88 1ji8 h GLN 88 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1ji8 h GLN 88 Cb -0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1ji8 h GLN 88 CO -0.05 0.56 -0.33 1.28 -1.93 0.00 0.00 178.83 178.36 1ji8 n LEU 89 N -3.49 1.20 -3.22 -2.39 4.77 -0.64 -4.73 117.00 108.50 1ji8 n LEU 89 Ca 0.00 -0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 55.61 1ji8 n LEU 89 Cb 0.66 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1ji8 n LEU 89 CO 0.40 0.23 0.02 0.12 -1.33 0.00 0.00 177.39 176.84 1ji8 s PHE 90 N -2.54 -1.47 -0.30 -1.77 5.36 0.57 -4.99 117.98 112.84 1ji8 s PHE 90 Ca 0.22 0.71 0.28 0.00 -0.96 0.00 0.00 56.93 57.17 1ji8 s PHE 90 Cb 0.19 0.10 0.99 0.00 -0.34 0.00 0.00 43.02 43.97 1ji8 s PHE 90 CO 0.55 -1.05 1.81 -1.00 -1.46 0.00 0.00 175.22 174.07 1ji8 h PRO 91 N 8.03 0.00 0.00 10.12 0.13 -1.83 -3.04 132.00 145.42 1ji8 h PRO 91 Ca -0.04 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1ji8 h PRO 91 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1ji8 h PRO 91 CO 0.20 0.00 -0.37 0.77 -0.23 0.00 0.00 178.00 178.37 1ji8 h SER 92 N 0.00 0.00 -3.85 1.44 0.02 -1.94 -3.49 113.55 105.73 1ji8 h SER 92 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ji8 h SER 92 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1ji8 h SER 92 CO 0.00 0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.67 1ji8 n GLY 93 N -0.46 3.29 0.00 -3.77 0.00 -1.15 -4.80 105.19 98.31 1ji8 n GLY 93 Ca -0.02 -1.70 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.47 0.54 0.00 1.61 -0.04 -1.26 -2.19 135.00 133.19 1ji8 n PRO 94 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1ji8 n PRO 94 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 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 -1.09 0.00 1.01 0.55 0.00 -1.26 -4.35 120.51 115.37 1ji8 n ALA 95 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.68 1ji8 n ALA 95 Cb 0.10 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.17 0.00 0.00 0.00 8.25 -1.26 -3.60 115.22 118.44 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 0.49 -1.22 0.57 -1.41 0.00 -0.93 -1.43 105.19 101.26 1ji8 n GLY 97 Ca 0.10 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.48 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 3.16 -2.89 4.61 0.00 -1.76 -1.99 119.26 118.38 1ji8 h ALA 98 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ji8 h ALA 98 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ji8 h ALA 98 CO 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 179.25 177.46 1ji8 h LYS 100 N 0.00 0.20 -0.31 0.00 3.64 -0.81 0.37 116.57 119.66 1ji8 h LYS 100 Ca 0.00 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1ji8 h LYS 100 Cb 0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1ji8 h LYS 100 CO 0.00 0.13 0.04 0.28 -2.27 0.00 0.00 179.45 177.63 1ji8 h VAL 101 N 0.20 0.82 -0.02 2.00 2.07 -1.41 -2.80 116.25 117.11 1ji8 h VAL 101 Ca 0.77 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 68.24 1ji8 h VAL 101 Cb 1.85 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1ji8 h VAL 101 CO -0.67 0.03 0.00 0.00 0.02 0.00 0.00 177.57 176.95 1ji8 h ALA 102 N 1.24 0.03 0.00 1.67 0.00 0.49 -3.46 119.26 119.23 1ji8 h ALA 102 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ji8 h ALA 102 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ji8 h ALA 102 CO -0.21 -0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1ji8 n GLY 103 N -0.37 0.14 3.59 0.00 0.00 -0.73 -4.97 105.19 102.86 1ji8 n GLY 103 Ca -0.07 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.26 -0.05 4.61 0.00 -1.23 -4.72 121.76 123.62 1ji8 s ALA 104 Ca 0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 1ji8 s ALA 104 Cb 0.00 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 1ji8 s ALA 104 CO 0.00 -2.00 0.59 -1.00 0.00 0.00 0.00 175.76 173.35 1ji8 h PRO 105 N 8.93 -0.36 -4.75 0.00 0.13 -1.96 -3.39 132.00 130.60 1ji8 h PRO 105 Ca -0.23 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.25 1ji8 h PRO 105 Cb 1.07 0.08 -0.35 0.00 0.13 0.00 0.00 31.00 31.93 1ji8 h PRO 105 CO 1.06 -0.13 -0.71 0.15 -0.23 0.00 0.00 178.00 178.14 1ji8 s LYS 106 N -3.05 2.21 0.22 0.86 1.02 -1.26 -4.92 119.74 114.83 1ji8 s LYS 106 Ca -0.08 -1.43 -0.04 0.00 0.02 0.00 0.00 55.97 54.44 1ji8 s LYS 106 Cb 0.01 -3.16 0.05 0.00 -0.52 0.00 0.00 37.83 34.21 1ji8 s LYS 106 CO 0.27 -0.70 0.23 -0.35 -0.92 0.00 0.00 175.35 173.87 1ji8 n PRO 107 N 4.53 -1.00 -3.08 -1.68 -0.04 -1.26 -5.00 135.00 127.47 1ji8 n PRO 107 Ca -0.10 -0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 62.81 1ji8 n PRO 107 Cb 0.43 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.55 1ji8 n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ji8 n THR 108 N -2.74 -0.51 0.00 0.52 -1.04 -1.26 -4.98 114.28 104.28 1ji8 n THR 108 Ca 0.03 -3.42 0.00 0.00 -2.04 0.00 0.00 64.05 58.62 1ji8 n THR 108 Cb 0.11 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1ji8 n THR 108 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ji8 n GLY 109 N 1.40 -2.32 0.40 3.41 0.00 -1.26 -5.15 105.19 101.68 1ji8 n GLY 109 Ca 0.18 0.75 -0.03 0.00 0.00 0.00 0.00 46.02 46.92 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32