#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 1.78 0.03 2.12 0.04 -1.26 -4.98 135.00 132.73 1ji8 s PRO 2 Ca 0.00 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.75 1ji8 s PRO 2 Cb 0.00 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1ji8 s PRO 2 CO 0.00 -1.85 -0.05 0.14 0.04 0.00 0.00 177.00 175.28 1ji8 s VAL 3 N -3.08 0.34 0.25 -0.36 -7.23 -1.26 -5.15 120.40 103.90 1ji8 s VAL 3 Ca 0.62 -0.93 -0.07 0.00 -1.81 0.00 0.00 61.98 59.79 1ji8 s VAL 3 Cb -0.16 -0.43 -0.06 0.00 0.56 0.00 0.00 36.38 36.29 1ji8 s VAL 3 CO 0.55 -0.40 0.53 -0.75 -0.31 0.00 0.00 175.10 174.72 1ji8 s LYS 4 N -1.41 3.69 0.03 4.82 2.20 -1.26 -5.07 119.74 122.74 1ji8 s LYS 4 Ca -0.12 0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.65 1ji8 s LYS 4 Cb -0.09 -2.67 -0.03 0.00 -1.51 0.00 0.00 37.83 33.52 1ji8 s LYS 4 CO -0.00 0.29 -0.16 0.00 -0.36 0.00 0.00 175.35 175.12 1ji8 s PRO 6 N -1.42 1.71 -0.30 0.00 0.04 -1.23 -4.90 135.00 128.90 1ji8 s PRO 6 Ca 0.15 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.36 1ji8 s PRO 6 Cb -0.11 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.73 1ji8 s PRO 6 CO 0.06 -1.83 1.44 0.20 0.04 0.00 0.00 177.00 176.90 1ji8 s GLY 7 N -4.05 0.32 0.24 0.56 0.00 -0.72 -4.98 107.32 98.69 1ji8 s GLY 7 Ca 0.62 3.41 0.04 0.00 0.00 0.00 0.00 44.72 48.79 1ji8 s GLY 7 CO 0.53 1.76 0.38 1.85 0.00 0.00 0.00 173.10 177.62 1ji8 s GLU 8 N -0.21 3.45 0.21 2.90 2.12 -1.26 -1.04 118.70 124.87 1ji8 s GLU 8 Ca 0.08 -0.69 -0.23 0.00 0.36 0.00 0.00 54.97 54.49 1ji8 s GLU 8 Cb -0.04 -2.87 0.04 0.00 0.26 0.00 0.00 34.13 31.52 1ji8 s GLU 8 CO -0.14 0.41 0.74 0.71 -0.54 0.00 0.00 175.26 176.43 1ji8 s TYR 9 N -2.00 -0.28 -0.18 5.30 2.02 -0.56 -4.96 117.35 116.69 1ji8 s TYR 9 Ca 0.35 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.95 1ji8 s TYR 9 Cb -0.09 0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 42.10 1ji8 s TYR 9 CO 0.30 -1.04 -0.07 -0.65 -1.57 0.00 0.00 175.55 172.52 1ji8 s GLN 10 N -3.73 3.44 -0.60 -0.62 -0.21 -1.26 -1.94 119.66 114.73 1ji8 s GLN 10 Ca 0.08 -0.62 -0.16 0.00 0.02 0.00 0.00 55.36 54.68 1ji8 s GLN 10 Cb -0.04 -2.88 0.14 0.00 1.00 0.00 0.00 33.01 31.23 1ji8 s GLN 10 CO 0.00 0.01 0.58 0.08 -2.12 0.00 0.00 175.29 173.84 1ji8 s VAL 11 N 0.93 5.22 -0.70 1.09 1.01 -1.16 -4.70 120.40 122.09 1ji8 s VAL 11 Ca -0.01 -1.59 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1ji8 s VAL 11 Cb -0.15 -4.39 0.02 0.00 0.00 0.00 0.00 36.38 31.86 1ji8 s VAL 11 CO 0.00 -0.94 0.63 -0.67 0.00 0.00 0.00 175.10 174.12 1ji8 n ASP 12 N 5.21 -5.45 -3.24 3.32 2.03 -1.26 -2.66 116.55 114.50 1ji8 n ASP 12 Ca -0.08 -0.60 -0.15 0.00 0.52 0.00 0.00 54.79 54.47 1ji8 n ASP 12 Cb 0.42 -2.19 0.07 0.00 -0.72 0.00 0.00 41.12 38.70 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 -1.22 -0.80 3.66 0.27 0.00 -1.26 -5.02 105.19 100.81 1ji8 n GLY 13 Ca -0.21 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.70 1.65 -0.13 1.61 2.20 -1.09 -5.15 119.74 114.12 1ji8 s LYS 14 Ca 0.28 -1.23 0.01 0.00 -0.36 0.00 0.00 55.97 54.67 1ji8 s LYS 14 Cb -0.04 0.51 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1ji8 s LYS 14 CO 0.71 -0.71 -0.17 0.15 -0.36 0.00 0.00 175.35 174.97 1ji8 s LYS 15 N -3.87 2.49 -0.05 4.03 1.02 -1.26 -2.97 119.74 119.12 1ji8 s LYS 15 Ca 0.20 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.52 1ji8 s LYS 15 Cb -0.02 -2.14 0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1ji8 s LYS 15 CO 0.09 -0.12 0.09 0.08 -0.92 0.00 0.00 175.35 174.57 1ji8 s VAL 16 N 1.14 -0.12 -0.00 3.17 1.01 -0.82 -4.94 120.40 119.84 1ji8 s VAL 16 Ca -0.02 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.28 1ji8 s VAL 16 Cb -0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1ji8 s VAL 16 CO -0.06 0.13 0.05 -0.51 0.00 0.00 0.00 175.10 174.71 1ji8 s ILE 17 N 1.73 4.50 -0.29 2.22 2.07 -1.26 -1.49 121.20 128.68 1ji8 s ILE 17 Ca -0.02 -0.49 -0.04 0.00 -1.41 0.00 0.00 60.65 58.70 1ji8 s ILE 17 Cb -0.12 -3.04 0.03 0.00 0.13 0.00 0.00 42.46 39.46 1ji8 s ILE 17 CO -0.04 0.36 0.03 -0.76 -1.91 0.00 0.00 174.94 172.61 1ji8 s LEU 18 N -1.67 3.78 0.00 8.50 1.43 -0.21 -3.45 118.68 127.06 1ji8 s LEU 18 Ca 0.21 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1ji8 s LEU 18 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.33 1ji8 s LEU 18 CO 0.12 -0.22 0.00 0.47 0.23 0.00 0.00 176.35 176.95 1ji8 n ASP 19 N 4.74 -0.52 0.22 2.29 8.00 -0.84 -1.76 116.55 128.68 1ji8 n ASP 19 Ca -0.14 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.42 1ji8 n ASP 19 Cb 0.46 0.00 0.53 0.00 -0.02 0.00 0.00 41.12 42.09 1ji8 n ASP 19 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1ji8 h GLU 20 N 0.00 0.00 -1.30 -1.24 4.81 -1.91 -2.84 114.58 112.10 1ji8 h GLU 20 Ca 0.00 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 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 0.22 0.35 -0.25 -0.73 0.00 0.00 179.01 178.60 1ji8 n ASP 21 N -4.04 6.66 -2.80 1.04 9.92 -1.26 -4.41 116.55 121.67 1ji8 n ASP 21 Ca -0.02 -3.79 -0.09 0.00 -0.53 0.00 0.00 54.79 50.37 1ji8 n ASP 21 Cb 0.29 -0.80 -0.01 0.00 -0.64 0.00 0.00 41.12 39.96 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 -2.31 3.73 -0.09 0.00 5.36 -1.26 -4.74 117.98 118.66 1ji8 s PHE 23 Ca 0.13 1.37 -0.30 0.00 -0.96 0.00 0.00 56.93 57.17 1ji8 s PHE 23 Cb -0.07 -2.59 -0.02 0.00 -0.34 0.00 0.00 43.02 40.00 1ji8 s PHE 23 CO 0.16 0.44 1.09 1.41 -1.46 0.00 0.00 175.22 176.86 1ji8 s MET 24 N -1.61 4.38 0.00 10.12 -2.45 -1.26 -1.98 119.30 126.50 1ji8 s MET 24 Ca 0.38 1.50 0.26 0.00 -1.25 0.00 0.00 55.69 56.58 1ji8 s MET 24 Cb -0.18 -3.56 0.59 0.00 1.25 0.00 0.00 34.83 32.93 1ji8 s MET 24 CO 0.21 -0.39 1.48 1.04 1.05 0.00 0.00 175.02 178.42 1ji8 n GLN 25 N 5.17 2.03 -3.35 4.11 6.02 -1.22 -4.48 117.38 125.66 1ji8 n GLN 25 Ca 0.10 -1.50 -0.27 0.00 -0.01 0.00 0.00 57.00 55.32 1ji8 n GLN 25 Cb 0.48 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.19 1ji8 n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1ji8 n ASN 26 N 0.81 3.82 0.23 1.08 5.15 -1.26 -4.84 115.26 120.26 1ji8 n ASN 26 Ca 0.16 -3.47 0.15 0.00 -0.60 0.00 0.00 54.58 50.82 1ji8 n ASN 26 Cb 0.49 -0.65 0.53 0.00 -0.53 0.00 0.00 39.78 39.61 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 3.99 0.00 0.00 1.20 0.13 -1.98 -2.93 132.00 132.42 1ji8 h PRO 27 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ji8 h PRO 27 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ji8 h PRO 27 CO 0.83 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.99 1ji8 n GLU 28 N -2.92 0.15 -0.08 0.86 1.02 -1.26 -1.75 120.64 116.65 1ji8 n GLU 28 Ca 0.02 0.48 0.04 0.00 -0.02 0.00 0.00 57.16 57.68 1ji8 n GLU 28 Cb 0.35 -1.85 0.08 0.00 -0.02 0.00 0.00 31.44 30.01 1ji8 n GLU 28 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1ji8 n ASP 29 N -2.14 2.33 -4.24 1.62 9.92 -1.10 -5.04 116.55 117.89 1ji8 n ASP 29 Ca 0.01 -1.78 -0.35 0.00 -0.53 0.00 0.00 54.79 52.14 1ji8 n ASP 29 Cb 0.15 -0.11 0.07 0.00 -0.64 0.00 0.00 41.12 40.59 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 0.30 -3.07 -0.80 1.24 -0.00 -0.72 -4.92 117.44 109.46 1ji8 n TRP 30 Ca 0.07 0.14 0.00 0.00 -0.00 0.00 0.00 57.50 57.71 1ji8 n TRP 30 Cb 0.32 -1.64 0.00 0.00 -0.00 0.00 0.00 31.31 29.98 1ji8 n TRP 30 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1ji8 n ASP 31 N 1.05 0.00 -0.14 5.87 9.92 -1.26 -4.95 116.55 127.04 1ji8 n ASP 31 Ca 0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 1ji8 n ASP 31 Cb 0.54 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.02 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1ji8 h GLU 32 N 0.00 0.61 0.00 -1.24 4.81 -2.00 -1.95 114.58 114.81 1ji8 h GLU 32 Ca 0.00 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1ji8 h GLU 32 Cb 0.00 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1ji8 h GLU 32 CO 0.00 0.54 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.50 1ji8 h LYS 33 N 0.53 0.00 0.23 1.92 3.64 -1.97 -2.03 116.57 118.89 1ji8 h LYS 33 Ca 0.14 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ji8 h LYS 33 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ji8 h LYS 33 CO -0.02 0.10 -0.11 0.28 -2.27 0.00 0.00 179.45 177.43 1ji8 h VAL 34 N 0.00 0.00 -0.52 2.00 2.07 -1.74 -2.01 116.25 116.05 1ji8 h VAL 34 Ca -0.00 -0.71 0.15 0.00 0.82 0.00 0.00 66.70 66.96 1ji8 h VAL 34 Cb 0.22 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1ji8 h VAL 34 CO 0.01 0.00 0.38 0.00 0.02 0.00 0.00 177.57 177.99 1ji8 h ALA 35 N -1.15 2.45 0.21 1.67 0.00 -1.35 -1.76 119.26 119.34 1ji8 h ALA 35 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ji8 h ALA 35 Cb 0.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ji8 h ALA 35 CO 0.05 -0.65 -0.10 0.93 0.00 0.00 0.00 179.25 179.48 1ji8 h GLU 36 N 0.00 -0.27 -1.02 0.00 5.08 -1.42 -2.17 114.58 114.77 1ji8 h GLU 36 Ca 0.24 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.88 1ji8 h GLU 36 Cb 1.01 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1ji8 h GLU 36 CO -0.00 -0.16 0.67 2.35 -1.00 0.00 0.00 179.01 180.87 1ji8 h TRP 37 N -1.07 0.58 0.05 4.33 7.01 -1.07 -1.09 115.95 124.69 1ji8 h TRP 37 Ca -0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 1ji8 h TRP 37 Cb 0.23 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.12 1ji8 h TRP 37 CO 0.00 0.07 -0.02 1.25 -2.79 0.00 0.00 178.44 176.95 1ji8 h LEU 38 N 0.36 -0.05 -2.05 0.65 6.46 -1.39 -2.44 115.31 116.85 1ji8 h LEU 38 Ca 0.57 -0.55 0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1ji8 h LEU 38 Cb 1.50 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.43 1ji8 h LEU 38 CO -0.25 0.55 0.30 0.00 -0.62 0.00 0.00 178.44 178.42 1ji8 h ALA 39 N 0.19 2.24 0.15 1.25 0.00 -0.57 -1.30 119.26 121.23 1ji8 h ALA 39 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ji8 h ALA 39 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ji8 h ALA 39 CO 0.01 -0.49 -0.07 -0.09 0.00 0.00 0.00 179.25 178.61 1ji8 h ARG 40 N 0.00 -0.19 -0.45 0.00 2.43 -1.20 -0.94 114.38 114.03 1ji8 h ARG 40 Ca 0.18 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.49 1ji8 h ARG 40 Cb 0.77 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1ji8 h ARG 40 CO -0.00 -0.13 0.42 0.93 -1.51 0.00 0.00 179.97 179.69 1ji8 h GLU 41 N -1.03 0.00 0.00 0.20 4.39 -1.21 0.12 114.58 117.04 1ji8 h GLU 41 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ji8 h GLU 41 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ji8 h GLU 41 CO 0.03 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 179.16 1ji8 n LEU 42 N -3.89 0.61 -0.07 1.33 4.32 -0.51 -4.76 117.00 114.04 1ji8 n LEU 42 Ca 0.08 0.20 -0.11 0.00 -0.02 0.00 0.00 56.01 56.17 1ji8 n LEU 42 Cb 0.61 -0.33 -0.09 0.00 -1.62 0.00 0.00 43.42 41.99 1ji8 n LEU 42 CO 0.30 -0.33 0.25 -0.33 -1.22 0.00 0.00 177.39 176.06 1ji8 h GLU 43 N 0.00 0.00 0.00 3.23 5.08 -1.21 -3.49 114.58 118.20 1ji8 h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ji8 h GLU 43 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ji8 h GLU 43 CO 0.00 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.15 1ji8 n GLY 44 N 1.65 1.47 3.57 -3.84 0.00 0.41 -4.98 105.19 103.47 1ji8 n GLY 44 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1ji8 n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ji8 s ILE 45 N -1.47 3.67 0.55 -0.61 1.01 -1.21 -4.77 121.20 118.37 1ji8 s ILE 45 Ca 0.00 -0.90 0.43 0.00 0.00 0.00 0.00 60.65 60.19 1ji8 s ILE 45 Cb 0.00 -4.58 0.64 0.00 0.01 0.00 0.00 42.46 38.53 1ji8 s ILE 45 CO 0.00 -1.30 1.68 1.56 0.00 0.00 0.00 174.94 176.88 1ji8 h GLN 46 N 9.85 0.00 -2.08 2.79 4.20 -1.92 -3.35 115.11 124.60 1ji8 h GLN 46 Ca 0.22 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.76 1ji8 h GLN 46 Cb 0.96 0.00 -0.30 0.00 0.30 0.00 0.00 27.48 28.43 1ji8 h GLN 46 CO 1.29 0.00 -0.49 0.21 -0.67 0.00 0.00 178.83 179.17 1ji8 s LYS 47 N -4.88 0.32 0.78 1.46 2.20 -1.26 -5.06 119.74 113.29 1ji8 s LYS 47 Ca -0.05 0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.96 1ji8 s LYS 47 Cb 0.25 -0.47 -0.05 0.00 -1.51 0.00 0.00 37.83 36.05 1ji8 s LYS 47 CO 0.84 -0.59 0.27 -1.33 -0.36 0.00 0.00 175.35 174.18 1ji8 n MET 48 N 5.36 0.12 -3.03 4.03 2.81 -1.26 -5.00 117.12 120.16 1ji8 n MET 48 Ca -0.04 0.07 -0.18 0.00 -1.81 0.00 0.00 57.70 55.74 1ji8 n MET 48 Cb 0.50 -1.65 0.02 0.00 -0.71 0.00 0.00 33.22 31.38 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 -2.54 0.00 0.07 2.03 5.66 -1.26 -5.03 114.28 113.20 1ji8 n THR 49 Ca 0.08 -1.59 -0.12 0.00 -3.05 0.00 0.00 64.05 59.37 1ji8 n THR 49 Cb 0.51 -0.29 -0.03 0.00 -1.55 0.00 0.00 70.33 68.97 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ji8 h GLU 50 N 0.00 0.39 -0.81 1.09 4.39 -2.00 -3.15 114.58 114.49 1ji8 h GLU 50 Ca -0.24 -0.40 -0.03 0.00 0.34 0.00 0.00 59.36 59.03 1ji8 h GLU 50 Cb 0.95 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.67 1ji8 h GLU 50 CO 0.38 1.07 0.39 0.93 -1.16 0.00 0.00 179.01 180.62 1ji8 h GLU 51 N 0.22 1.16 0.52 2.33 5.08 -1.99 -0.63 114.58 121.28 1ji8 h GLU 51 Ca -0.07 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1ji8 h GLU 51 Cb 1.53 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.57 1ji8 h GLU 51 CO 0.15 0.90 -0.25 0.45 -1.00 0.00 0.00 179.01 179.26 1ji8 h HIS 52 N 1.14 -0.65 0.00 4.33 3.86 -1.96 -2.21 115.15 119.66 1ji8 h HIS 52 Ca 0.28 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 1ji8 h HIS 52 Cb 0.11 0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 1ji8 h HIS 52 CO 0.01 -0.35 -0.04 -1.49 0.86 0.00 0.00 177.93 176.92 1ji8 h TRP 53 N -0.82 0.00 0.18 2.45 -0.00 -1.50 -1.76 115.95 114.50 1ji8 h TRP 53 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 1ji8 h TRP 53 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.75 1ji8 h TRP 53 CO -0.02 0.04 -0.09 -0.22 -0.00 0.00 0.00 178.44 178.16 1ji8 h LYS 54 N 0.00 -0.23 -0.79 0.49 1.63 -0.74 -2.30 116.57 114.63 1ji8 h LYS 54 Ca -0.00 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.92 1ji8 h LYS 54 Cb 0.10 0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 31.70 1ji8 h LYS 54 CO 0.01 -0.15 0.42 1.25 -3.45 0.00 0.00 179.45 177.52 1ji8 h LEU 55 N -0.36 0.56 0.15 5.20 6.46 -1.38 -2.37 115.31 123.57 1ji8 h LEU 55 Ca -0.02 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1ji8 h LEU 55 Cb 0.18 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.03 1ji8 h LEU 55 CO 0.04 0.31 -0.42 0.58 -0.62 0.00 0.00 178.44 178.33 1ji8 h VAL 56 N 0.69 0.16 -0.65 1.05 2.07 -1.38 -1.54 116.25 116.64 1ji8 h VAL 56 Ca 0.39 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.04 1ji8 h VAL 56 Cb 0.42 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.26 1ji8 h VAL 56 CO -0.28 0.00 0.17 0.50 0.02 0.00 0.00 177.57 177.98 1ji8 h LYS 57 N -0.67 0.29 -0.76 1.57 3.64 -0.95 -0.25 116.57 119.45 1ji8 h LYS 57 Ca 0.01 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 1ji8 h LYS 57 Cb 0.69 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1ji8 h LYS 57 CO -0.22 0.19 0.38 1.88 -2.27 0.00 0.00 179.45 179.41 1ji8 h TYR 58 N 0.30 0.68 -0.86 1.91 -1.99 -0.88 -1.07 116.97 115.07 1ji8 h TYR 58 Ca 0.35 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 61.09 1ji8 h TYR 58 Cb 0.52 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 39.02 1ji8 h TYR 58 CO -0.23 0.23 0.46 1.25 -0.00 0.00 0.00 178.16 179.87 1ji8 h LEU 59 N 0.63 1.08 -2.07 3.88 6.46 -0.10 -1.83 115.31 123.35 1ji8 h LEU 59 Ca 0.38 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 58.03 1ji8 h LEU 59 Cb 0.43 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1ji8 h LEU 59 CO -0.29 0.87 -0.02 -0.09 -0.62 0.00 0.00 178.44 178.29 1ji8 h ARG 60 N 1.20 0.00 0.14 1.25 2.43 -0.63 -1.30 114.38 117.47 1ji8 h ARG 60 Ca 0.30 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1ji8 h ARG 60 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1ji8 h ARG 60 CO -0.05 0.02 -0.07 1.49 -1.51 0.00 0.00 179.97 179.86 1ji8 h GLU 61 N 0.00 -0.18 0.00 0.20 4.81 -0.95 -1.29 114.58 117.17 1ji8 h GLU 61 Ca -0.00 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1ji8 h GLU 61 Cb 0.05 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ji8 h GLU 61 CO 0.00 0.05 -0.39 -0.92 -0.73 0.00 0.00 179.01 177.02 1ji8 h TYR 62 N -0.38 0.00 -0.00 0.92 5.03 -1.47 -2.58 116.97 118.49 1ji8 h TYR 62 Ca -0.02 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1ji8 h TYR 62 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1ji8 h TYR 62 CO -0.01 0.39 -0.03 1.87 -1.32 0.00 0.00 178.16 179.07 1ji8 n TRP 63 N -3.64 0.00 -0.05 -3.82 -0.00 -0.52 -3.78 117.44 105.63 1ji8 n TRP 63 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.36 1ji8 n TRP 63 Cb 0.49 -0.30 -0.12 0.00 -0.00 0.00 0.00 31.31 31.39 1ji8 n TRP 63 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1ji8 h GLU 64 N 0.08 -0.01 -1.00 5.87 4.81 -0.81 -1.92 114.58 121.60 1ji8 h GLU 64 Ca 0.00 0.00 0.32 0.00 -0.13 0.00 0.00 59.36 59.55 1ji8 h GLU 64 Cb 0.33 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.57 1ji8 h GLU 64 CO 0.00 0.81 0.57 1.15 -0.73 0.00 0.00 179.01 180.81 1ji8 h THR 65 N -0.88 0.30 0.00 0.32 2.02 -1.68 -3.40 112.91 109.59 1ji8 h THR 65 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1ji8 h THR 65 Cb 0.82 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1ji8 h THR 65 CO 0.00 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.44 1ji8 n PHE 66 N -5.05 -3.33 0.00 3.16 3.72 -1.24 -5.08 117.46 109.65 1ji8 n PHE 66 Ca 0.32 0.90 0.00 0.00 -0.05 0.00 0.00 57.45 58.62 1ji8 n PHE 66 Cb 0.99 2.03 0.00 0.00 -0.94 0.00 0.00 39.48 41.56 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 0.12 0.45 3.40 1.37 0.00 -0.72 -5.02 105.19 104.79 1ji8 n GLY 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.61 4.48 -0.37 2.61 2.01 -1.26 -5.01 115.64 117.48 1ji8 s THR 68 Ca 0.00 -0.60 -0.32 0.00 0.31 0.00 0.00 61.69 61.08 1ji8 s THR 68 Cb 0.00 -3.35 -0.10 0.00 0.01 0.00 0.00 72.50 69.06 1ji8 s THR 68 CO 0.00 -0.02 2.26 0.00 -0.69 0.00 0.00 174.62 176.17 1ji8 s PRO 70 N 6.70 0.90 0.00 0.00 0.04 -1.26 -5.06 135.00 136.32 1ji8 s PRO 70 Ca 1.07 0.39 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1ji8 s PRO 70 Cb -0.66 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1ji8 s PRO 70 CO 0.42 -2.38 0.00 -0.35 0.04 0.00 0.00 177.00 174.74 1ji8 n PRO 71 N -3.91 0.60 0.00 0.56 -0.04 -1.26 -4.90 135.00 126.05 1ji8 n PRO 71 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ji8 n PRO 71 Cb 0.58 0.00 0.00 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 -0.80 0.00 0.87 0.52 0.13 -1.26 -4.62 119.36 114.19 1ji8 n ILE 72 Ca 0.00 -0.35 0.12 0.00 -1.10 0.00 0.00 62.75 61.41 1ji8 n ILE 72 Cb 0.00 1.27 0.18 0.00 -0.84 0.00 0.00 39.64 40.25 1ji8 n ILE 72 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 1ji8 n LYS 73 N -0.05 0.09 -0.09 9.51 2.85 -1.26 -3.67 118.16 125.54 1ji8 n LYS 73 Ca 0.00 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.19 1ji8 n LYS 73 Cb 0.07 -1.54 -0.14 0.00 -0.65 0.00 0.00 35.03 32.76 1ji8 n LYS 73 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1ji8 n MET 74 N -1.67 1.09 0.10 -1.58 2.81 -1.26 -3.99 117.12 112.63 1ji8 n MET 74 Ca 0.04 -0.01 -0.04 0.00 -1.81 0.00 0.00 57.70 55.89 1ji8 n MET 74 Cb 0.37 -1.46 0.04 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.56 0.04 2.03 2.07 -1.82 -3.12 116.25 117.01 1ji8 h VAL 75 Ca -0.48 -2.71 -0.25 0.00 0.82 0.00 0.00 66.70 64.08 1ji8 h VAL 75 Cb 2.10 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 34.34 1ji8 h VAL 75 CO 0.03 0.77 -1.05 0.00 0.02 0.00 0.00 177.57 177.34 1ji8 h THR 76 N 0.00 1.40 0.00 2.57 1.03 -1.77 -3.18 112.91 112.96 1ji8 h THR 76 Ca -0.01 -2.57 -0.06 0.00 -0.01 0.00 0.00 66.41 63.76 1ji8 h THR 76 Cb 1.40 2.56 -0.01 0.00 -1.07 0.00 0.00 68.15 71.04 1ji8 h THR 76 CO 0.10 0.77 -0.27 0.50 -0.01 0.00 0.00 175.52 176.61 1ji8 h LYS 77 N 0.21 0.00 -0.01 0.00 3.11 -1.69 -0.99 116.57 117.20 1ji8 h LYS 77 Ca -0.11 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1ji8 h LYS 77 Cb 1.71 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.94 1ji8 h LYS 77 CO 0.18 0.27 0.00 0.39 -2.81 0.00 0.00 179.45 177.49 1ji8 n GLU 78 N -4.12 1.37 -0.65 1.90 1.02 -1.18 -3.73 120.64 115.26 1ji8 n GLU 78 Ca -0.02 -0.54 0.03 0.00 -0.02 0.00 0.00 57.16 56.61 1ji8 n GLU 78 Cb 0.33 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1ji8 n GLU 78 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ji8 n THR 79 N -0.35 0.46 -2.04 2.62 -2.24 -0.64 -4.97 114.28 107.12 1ji8 n THR 79 Ca 0.21 -0.80 -0.04 0.00 -2.27 0.00 0.00 64.05 61.15 1ji8 n THR 79 Cb 0.25 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.21 -0.22 0.00 3.38 0.00 -0.53 -4.87 105.19 102.73 1ji8 n GLY 80 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.28 -1.47 -3.69 1.61 3.01 -0.49 -5.03 117.46 109.12 1ji8 n PHE 81 Ca -0.04 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.29 1ji8 n PHE 81 Cb 0.40 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.78 1ji8 n PHE 81 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ji8 s SER 82 N -1.59 -0.57 0.44 4.37 0.15 -1.26 -4.91 113.70 110.33 1ji8 s SER 82 Ca 0.00 1.06 0.21 0.00 0.70 0.00 0.00 55.95 57.92 1ji8 s SER 82 Cb 0.00 1.04 1.18 0.00 -1.71 0.00 0.00 66.02 66.53 1ji8 s SER 82 CO 0.00 -0.19 1.82 0.25 1.20 0.00 0.00 173.24 176.33 1ji8 h LEU 83 N 5.78 0.34 -0.56 3.45 5.85 -1.98 0.27 115.31 128.46 1ji8 h LEU 83 Ca -0.29 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.32 1ji8 h LEU 83 Cb 1.18 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 1ji8 h LEU 83 CO 0.20 0.10 -0.58 -0.33 -0.34 0.00 0.00 178.44 177.49 1ji8 h GLU 84 N 0.32 0.45 -0.33 1.25 5.08 -1.98 -1.24 114.58 118.13 1ji8 h GLU 84 Ca 0.52 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ji8 h GLU 84 Cb 1.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 1ji8 h GLU 84 CO -0.18 0.90 0.20 0.87 -1.00 0.00 0.00 179.01 179.80 1ji8 h LYS 85 N 0.34 0.44 0.01 2.33 1.57 -0.87 -1.20 116.57 119.19 1ji8 h LYS 85 Ca 0.00 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1ji8 h LYS 85 Cb 1.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 1ji8 h LYS 85 CO 0.10 0.33 -0.88 0.82 -0.57 0.00 0.00 179.45 179.24 1ji8 h ILE 86 N 0.43 1.56 -0.12 1.86 2.04 -1.48 -2.03 117.51 119.77 1ji8 h ILE 86 Ca 0.12 -2.82 -0.08 0.00 1.00 0.00 0.00 64.86 63.07 1ji8 h ILE 86 Cb -0.01 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1ji8 h ILE 86 CO -0.02 0.81 -0.30 1.88 0.00 0.00 0.00 178.15 180.52 1ji8 h TYR 87 N 0.04 0.26 0.17 1.37 -1.99 -0.95 -1.49 116.97 114.38 1ji8 h TYR 87 Ca -0.03 -0.05 -0.35 0.00 2.00 0.00 0.00 58.73 60.30 1ji8 h TYR 87 Cb 1.54 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 40.20 1ji8 h TYR 87 CO 0.01 0.51 -1.81 0.37 -0.00 0.00 0.00 178.16 177.24 1ji8 h GLN 88 N 0.20 0.35 -0.27 4.88 4.15 -1.22 -3.35 115.11 119.86 1ji8 h GLN 88 Ca 0.03 -0.61 -0.06 0.00 0.77 0.00 0.00 58.65 58.78 1ji8 h GLN 88 Cb 0.63 0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.53 1ji8 h GLN 88 CO 0.05 1.28 -0.11 -0.07 -1.93 0.00 0.00 178.83 178.05 1ji8 h LEU 89 N 0.10 0.43-10.13 -2.39 3.38 -1.33 -3.44 115.31 101.94 1ji8 h LEU 89 Ca -0.36 -0.10 -0.52 0.00 0.09 0.00 0.00 57.88 56.98 1ji8 h LEU 89 Cb 2.08 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 42.67 1ji8 h LEU 89 CO 0.15 0.58 -0.40 -0.36 0.09 0.00 0.00 178.44 178.51 1ji8 s PHE 90 N -4.77 2.52 -0.05 1.13 0.08 -0.56 -5.07 117.98 111.26 1ji8 s PHE 90 Ca -0.07 -0.57 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 1ji8 s PHE 90 Cb 0.15 -2.08 -0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1ji8 s PHE 90 CO 0.77 -0.10 0.42 -1.00 -0.10 0.00 0.00 175.22 175.21 1ji8 h PRO 91 N 1.09 -0.32 -0.18 0.24 0.13 -1.85 -3.44 132.00 127.67 1ji8 h PRO 91 Ca -0.41 0.02 0.26 0.00 -0.87 0.00 0.00 66.00 65.00 1ji8 h PRO 91 Cb 1.27 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.27 1ji8 h PRO 91 CO 0.61 -0.21 0.18 0.45 -0.23 0.00 0.00 178.00 178.79 1ji8 s SER 92 N -4.73 -0.26 0.00 1.44 0.15 -1.26 -4.97 113.70 104.08 1ji8 s SER 92 Ca -0.05 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1ji8 s SER 92 Cb 0.00 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.52 1ji8 s SER 92 CO 0.14 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1ji8 n GLY 93 N 5.40 0.76 0.18 9.45 0.00 -1.26 -4.97 105.19 114.75 1ji8 n GLY 93 Ca -0.04 -0.67 0.14 0.00 0.00 0.00 0.00 46.02 45.45 1ji8 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ji8 h PRO 94 N 0.00 0.00 0.05 1.61 0.13 -1.97 -2.36 132.00 129.46 1ji8 h PRO 94 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ji8 h PRO 94 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ji8 h PRO 94 CO 0.00 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 177.75 1ji8 h ALA 95 N 2.20 -0.88 0.00 -0.56 0.00 -1.92 -2.89 119.26 115.21 1ji8 h ALA 95 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ji8 h ALA 95 Cb 0.52 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ji8 h ALA 95 CO 0.00 -0.88 0.00 -2.39 0.00 0.00 0.00 179.25 175.98 1ji8 n HIS 96 N -2.20 0.00 0.00 0.00 1.44 -1.25 -3.61 115.22 109.60 1ji8 n HIS 96 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 1ji8 n HIS 96 Cb 0.03 -0.40 0.00 0.00 0.12 0.00 0.00 29.99 29.74 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ji8 n GLY 97 N 0.99 0.43 0.62 -1.39 0.00 -0.89 -1.92 105.19 103.04 1ji8 n GLY 97 Ca 0.09 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.58 1ji8 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ji8 h ALA 98 N -2.00 3.45 0.44 4.61 0.00 -1.68 -0.01 119.26 124.08 1ji8 h ALA 98 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ji8 h ALA 98 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ji8 h ALA 98 CO 0.00 -2.04 -0.21 0.00 0.00 0.00 0.00 179.25 177.00 1ji8 h LYS 100 N -0.87 -0.09 -0.24 0.00 3.64 -0.33 -1.61 116.57 117.07 1ji8 h LYS 100 Ca -0.06 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1ji8 h LYS 100 Cb 0.45 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 1ji8 h LYS 100 CO 0.10 -0.06 -0.43 0.28 -2.27 0.00 0.00 179.45 177.07 1ji8 h VAL 101 N -0.10 0.12 -0.80 2.00 2.07 -1.39 0.15 116.25 118.31 1ji8 h VAL 101 Ca 0.19 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.87 1ji8 h VAL 101 Cb 0.39 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 1ji8 h VAL 101 CO -0.44 0.00 0.53 0.00 0.02 0.00 0.00 177.57 177.68 1ji8 h ALA 102 N 0.22 2.13 0.00 1.67 0.00 -0.87 -3.45 119.26 118.95 1ji8 h ALA 102 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ji8 h ALA 102 Cb 0.61 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ji8 h ALA 102 CO -0.47 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1ji8 n GLY 103 N -1.52 1.58 3.81 0.00 0.00 0.52 -4.95 105.19 104.63 1ji8 n GLY 103 Ca 0.16 -0.16 -0.34 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 n ALA 104 N 0.00 -2.50 -1.79 4.61 0.00 -1.21 -4.67 120.51 114.95 1ji8 n ALA 104 Ca 0.00 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 52.77 1ji8 n ALA 104 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 19.45 15.96 1ji8 n ALA 104 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ji8 s PRO 105 N -6.39 3.65 -0.04 0.00 0.04 -1.26 -4.94 135.00 126.06 1ji8 s PRO 105 Ca 0.42 1.48 0.07 0.00 0.04 0.00 0.00 61.00 63.01 1ji8 s PRO 105 Cb -0.17 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1ji8 s PRO 105 CO 0.89 -0.58 -0.24 0.15 0.04 0.00 0.00 177.00 177.26 1ji8 s LYS 106 N -3.19 2.37 -0.81 4.56 1.02 -1.26 -5.06 119.74 117.37 1ji8 s LYS 106 Ca 0.69 -0.90 -0.25 0.00 0.02 0.00 0.00 55.97 55.53 1ji8 s LYS 106 Cb -0.20 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.97 1ji8 s LYS 106 CO 0.23 0.48 1.69 -1.25 -0.92 0.00 0.00 175.35 175.59 1ji8 s PRO 107 N -0.40 2.90 -0.01 -1.68 0.04 -1.26 -4.96 135.00 129.63 1ji8 s PRO 107 Ca 0.04 -0.17 0.08 0.00 0.04 0.00 0.00 61.00 60.98 1ji8 s PRO 107 Cb -0.12 -4.75 -0.02 0.00 0.04 0.00 0.00 34.50 29.65 1ji8 s PRO 107 CO 0.01 -2.72 -0.25 0.99 0.04 0.00 0.00 177.00 175.07 1ji8 s THR 108 N 7.93 2.01 -0.41 1.26 2.01 -1.26 -5.06 115.64 122.12 1ji8 s THR 108 Ca 0.58 -1.12 0.09 0.00 0.31 0.00 0.00 61.69 61.54 1ji8 s THR 108 Cb -0.07 -1.67 0.29 0.00 0.01 0.00 0.00 72.50 71.06 1ji8 s THR 108 CO 0.07 0.53 0.77 0.61 -0.69 0.00 0.00 174.62 175.91 1ji8 n GLY 109 N 2.36 2.18 0.00 4.40 0.00 -1.26 -4.96 105.19 107.92 1ji8 n GLY 109 Ca -0.16 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32