#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 2.66 -0.02 0.03 0.04 -1.26 -5.01 135.00 131.44 1ji8 s PRO 2 Ca 0.00 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1ji8 s PRO 2 Cb 0.00 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1ji8 s PRO 2 CO 0.00 -1.32 -0.02 0.28 0.04 0.00 0.00 177.00 175.98 1ji8 n VAL 3 N -3.26 0.10 -3.60 -0.36 0.31 -1.26 -5.11 118.33 105.15 1ji8 n VAL 3 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1ji8 n VAL 3 Cb 0.53 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 1ji8 n VAL 3 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ji8 n LYS 4 N -3.06 0.00 -3.60 5.55 4.81 -1.26 -4.81 118.16 115.78 1ji8 n LYS 4 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.38 1ji8 n LYS 4 Cb 0.53 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.56 1ji8 n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ji8 s PRO 6 N -2.44 3.46 0.08 0.00 0.04 -1.26 -4.85 135.00 130.03 1ji8 s PRO 6 Ca 0.11 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 1ji8 s PRO 6 Cb 0.00 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.58 1ji8 s PRO 6 CO -0.04 -0.70 1.00 0.20 0.04 0.00 0.00 177.00 177.50 1ji8 s GLY 7 N -2.63 -0.31 0.11 0.56 0.00 -0.75 -4.98 107.32 99.32 1ji8 s GLY 7 Ca 0.64 0.47 0.10 0.00 0.00 0.00 0.00 44.72 45.93 1ji8 s GLY 7 CO 0.33 0.12 -0.26 -0.54 0.00 0.00 0.00 173.10 172.74 1ji8 s GLU 8 N -3.09 1.47 -0.15 2.90 2.02 -1.26 -1.10 118.70 119.48 1ji8 s GLU 8 Ca 0.11 -1.27 -0.22 0.00 0.02 0.00 0.00 54.97 53.61 1ji8 s GLU 8 Cb -0.00 -1.86 0.06 0.00 0.10 0.00 0.00 34.13 32.42 1ji8 s GLU 8 CO -0.01 0.45 0.57 0.71 0.02 0.00 0.00 175.26 177.00 1ji8 s TYR 9 N -1.00 -0.59 -0.04 1.61 2.02 -0.91 -5.00 117.35 113.44 1ji8 s TYR 9 Ca 0.13 1.29 0.03 0.00 -0.37 0.00 0.00 57.07 58.15 1ji8 s TYR 9 Cb -0.10 0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.68 1ji8 s TYR 9 CO 0.05 -0.40 -0.13 -0.65 -1.57 0.00 0.00 175.55 172.85 1ji8 s GLN 10 N -0.28 2.51 -0.45 -0.62 -0.21 -1.26 -1.04 119.66 118.30 1ji8 s GLN 10 Ca -0.05 -0.70 -0.07 0.00 0.02 0.00 0.00 55.36 54.57 1ji8 s GLN 10 Cb -0.03 -2.40 0.12 0.00 1.00 0.00 0.00 33.01 31.69 1ji8 s GLN 10 CO 0.04 0.62 0.30 0.08 -2.12 0.00 0.00 175.29 174.20 1ji8 s VAL 11 N -0.78 3.84 0.00 1.09 1.01 -0.96 -4.91 120.40 119.69 1ji8 s VAL 11 Ca 0.12 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1ji8 s VAL 11 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1ji8 s VAL 11 CO 0.02 -0.75 0.00 -0.67 0.00 0.00 0.00 175.10 173.70 1ji8 n ASP 12 N 4.74 0.00 -2.22 3.32 2.03 -1.26 -1.10 116.55 122.06 1ji8 n ASP 12 Ca -0.05 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.04 1ji8 n ASP 12 Cb 0.41 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1ji8 n ASP 12 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ji8 n GLY 13 N 0.00 5.69 3.20 0.27 0.00 -1.26 -5.04 105.19 108.04 1ji8 n GLY 13 Ca 0.00 -2.48 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.59 1.16 -0.02 1.61 2.47 -0.26 -5.16 119.74 115.94 1ji8 s LYS 14 Ca 0.47 -1.60 0.05 0.00 -1.56 0.00 0.00 55.97 53.33 1ji8 s LYS 14 Cb 0.40 0.23 -0.01 0.00 -1.46 0.00 0.00 37.83 36.99 1ji8 s LYS 14 CO -0.02 -0.36 -0.16 0.21 0.16 0.00 0.00 175.35 175.19 1ji8 s LYS 15 N -4.13 1.44 -0.06 4.03 2.47 -1.26 -2.26 119.74 119.97 1ji8 s LYS 15 Ca 0.36 -0.57 0.01 0.00 -1.56 0.00 0.00 55.97 54.21 1ji8 s LYS 15 Cb 0.07 -1.34 0.02 0.00 -1.46 0.00 0.00 37.83 35.12 1ji8 s LYS 15 CO 0.10 0.30 -0.09 0.08 0.16 0.00 0.00 175.35 175.90 1ji8 s VAL 16 N -0.20 0.89 -0.36 4.02 1.01 -0.21 -4.94 120.40 120.62 1ji8 s VAL 16 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1ji8 s VAL 16 Cb -0.08 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.54 1ji8 s VAL 16 CO 0.00 0.31 0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1ji8 s ILE 17 N 0.88 2.82 -0.03 2.22 1.01 -1.24 -2.15 121.20 124.72 1ji8 s ILE 17 Ca -0.11 -2.00 -0.23 0.00 0.00 0.00 0.00 60.65 58.32 1ji8 s ILE 17 Cb -0.15 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1ji8 s ILE 17 CO 0.01 -0.51 0.67 -0.76 0.00 0.00 0.00 174.94 174.36 1ji8 s LEU 18 N 1.08 4.37 0.00 2.97 1.43 -0.26 -3.52 118.68 124.75 1ji8 s LEU 18 Ca 0.05 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.36 1ji8 s LEU 18 Cb -0.21 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1ji8 s LEU 18 CO -0.05 -0.03 0.01 0.47 0.23 0.00 0.00 176.35 176.98 1ji8 n ASP 19 N 3.31 1.83 -4.34 2.29 9.92 -0.80 -1.81 116.55 126.95 1ji8 n ASP 19 Ca -0.03 -1.12 -0.40 0.00 -0.53 0.00 0.00 54.79 52.70 1ji8 n ASP 19 Cb 0.51 0.01 0.01 0.00 -0.64 0.00 0.00 41.12 41.02 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1ji8 n GLU 20 N -0.20 0.21 -1.34 -1.24 2.13 -1.26 -0.72 120.64 118.22 1ji8 n GLU 20 Ca -0.01 0.08 -0.12 0.00 0.66 0.00 0.00 57.16 57.77 1ji8 n GLU 20 Cb 0.04 -1.24 -0.05 0.00 0.27 0.00 0.00 31.44 30.46 1ji8 n GLU 20 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1ji8 n ASP 21 N 1.82 -4.73 -3.91 4.31 -0.08 -1.26 -2.93 116.55 109.77 1ji8 n ASP 21 Ca 0.10 0.29 -0.27 0.00 -1.51 0.00 0.00 54.79 53.40 1ji8 n ASP 21 Cb 0.44 -3.25 0.01 0.00 2.34 0.00 0.00 41.12 40.66 1ji8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ji8 s PHE 23 N -3.59 3.48 0.43 0.00 0.40 -1.03 -4.80 117.98 112.87 1ji8 s PHE 23 Ca 0.30 1.19 0.28 0.00 -0.60 0.00 0.00 56.93 58.10 1ji8 s PHE 23 Cb -0.16 -2.87 1.39 0.00 0.51 0.00 0.00 43.02 41.89 1ji8 s PHE 23 CO 0.86 -0.07 1.64 1.98 0.70 0.00 0.00 175.22 180.32 1ji8 h MET 24 N 7.10 0.12 -1.31 0.44 4.05 -1.91 -2.13 114.93 121.29 1ji8 h MET 24 Ca -0.35 -0.01 -0.29 0.00 -0.28 0.00 0.00 59.70 58.77 1ji8 h MET 24 Cb 1.16 -0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 31.82 1ji8 h MET 24 CO 0.78 0.08 -0.26 0.94 0.23 0.00 0.00 176.91 178.68 1ji8 n GLN 25 N -4.69 -1.32 -2.93 0.39 0.00 -1.23 -3.62 117.38 103.98 1ji8 n GLN 25 Ca 0.36 0.84 -0.13 0.00 -0.00 0.00 0.00 57.00 58.06 1ji8 n GLN 25 Cb 1.36 -5.10 0.04 0.00 0.00 0.00 0.00 30.24 26.54 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1ji8 n ASN 26 N -0.61 -0.94 0.13 1.69 4.13 -1.26 -4.72 115.26 113.68 1ji8 n ASN 26 Ca -0.14 -3.39 -0.02 0.00 1.68 0.00 0.00 54.58 52.71 1ji8 n ASN 26 Cb 0.47 0.80 0.16 0.00 -1.54 0.00 0.00 39.78 39.67 1ji8 n ASN 26 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 1ji8 h PRO 27 N 2.99 0.03 -0.17 3.52 0.13 -1.87 -3.09 132.00 133.53 1ji8 h PRO 27 Ca -0.01 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1ji8 h PRO 27 Cb 1.05 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1ji8 h PRO 27 CO 0.29 0.64 -0.44 1.49 -0.23 0.00 0.00 178.00 179.75 1ji8 h GLU 28 N 0.02 0.42 -1.00 0.86 4.22 -1.92 -2.90 114.58 114.28 1ji8 h GLU 28 Ca -0.01 -0.22 -0.42 0.00 0.08 0.00 0.00 59.36 58.79 1ji8 h GLU 28 Cb 1.10 0.01 -0.25 0.00 0.50 0.00 0.00 28.75 30.10 1ji8 h GLU 28 CO 0.08 0.78 0.54 -0.25 -2.18 0.00 0.00 179.01 177.98 1ji8 n ASP 29 N -4.00 3.66 -4.88 1.04 9.92 -1.17 -4.96 116.55 116.15 1ji8 n ASP 29 Ca -0.02 -3.31 -0.30 0.00 -0.53 0.00 0.00 54.79 50.64 1ji8 n ASP 29 Cb 0.52 -0.78 0.01 0.00 -0.64 0.00 0.00 41.12 40.23 1ji8 n ASP 29 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1ji8 s TRP 30 N -2.68 3.57 0.00 1.24 -0.00 -1.10 -4.94 118.94 115.03 1ji8 s TRP 30 Ca 0.46 1.09 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 1ji8 s TRP 30 Cb 0.39 -2.62 0.00 0.00 -0.00 0.00 0.00 33.47 31.24 1ji8 s TRP 30 CO 0.09 -0.61 0.00 -0.25 -0.00 0.00 0.00 176.95 176.18 1ji8 n ASP 31 N -2.61 0.00 0.17 5.86 8.00 -1.26 -4.99 116.55 121.71 1ji8 n ASP 31 Ca 0.04 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.52 1ji8 n ASP 31 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.59 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ji8 h GLU 32 N 0.00 -0.48 -0.37 -1.24 5.08 -2.00 -2.39 114.58 113.18 1ji8 h GLU 32 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ji8 h GLU 32 Cb 0.00 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1ji8 h GLU 32 CO 0.00 -0.23 0.24 -0.22 -1.00 0.00 0.00 179.01 177.80 1ji8 h LYS 33 N -1.07 0.49 0.62 2.33 1.63 -2.00 -2.26 116.57 116.31 1ji8 h LYS 33 Ca -0.05 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.69 1ji8 h LYS 33 Cb 0.47 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1ji8 h LYS 33 CO 0.08 0.33 -0.30 0.28 -3.45 0.00 0.00 179.45 176.40 1ji8 h VAL 34 N 0.50 0.28 -0.85 2.00 2.07 -1.94 -2.30 116.25 116.01 1ji8 h VAL 34 Ca 0.13 -0.27 0.12 0.00 0.82 0.00 0.00 66.70 67.50 1ji8 h VAL 34 Cb -0.04 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.03 1ji8 h VAL 34 CO -0.03 0.03 0.55 0.00 0.02 0.00 0.00 177.57 178.14 1ji8 h ALA 35 N -0.79 1.78 0.44 1.67 0.00 -1.26 -1.95 119.26 119.15 1ji8 h ALA 35 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ji8 h ALA 35 Cb 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ji8 h ALA 35 CO 0.14 0.02 -0.21 1.49 0.00 0.00 0.00 179.25 180.69 1ji8 h GLU 36 N 0.73 -0.56 -0.07 0.00 4.81 -1.27 -1.87 114.58 116.34 1ji8 h GLU 36 Ca 0.41 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1ji8 h GLU 36 Cb 0.56 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ji8 h GLU 36 CO -0.17 -0.34 0.06 2.35 -0.73 0.00 0.00 179.01 180.18 1ji8 h TRP 37 N -0.66 0.00 -0.27 0.92 7.01 -0.94 -1.47 115.95 120.54 1ji8 h TRP 37 Ca -0.06 0.00 -0.16 0.00 2.11 0.00 0.00 58.89 60.78 1ji8 h TRP 37 Cb 0.49 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.55 1ji8 h TRP 37 CO -0.03 0.00 -0.44 1.25 -2.79 0.00 0.00 178.44 176.43 1ji8 h LEU 38 N 0.00 0.85 -0.61 0.65 6.46 -0.92 -2.30 115.31 119.45 1ji8 h LEU 38 Ca 0.03 -0.52 -0.11 0.00 -0.12 0.00 0.00 57.88 57.16 1ji8 h LEU 38 Cb 0.15 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.82 1ji8 h LEU 38 CO -0.00 1.21 -0.51 0.00 -0.62 0.00 0.00 178.44 178.52 1ji8 h ALA 39 N 0.67 0.85 -0.00 1.25 0.00 -0.64 -2.16 119.26 119.22 1ji8 h ALA 39 Ca 0.02 -0.46 -0.26 0.00 0.00 0.00 0.00 54.91 54.21 1ji8 h ALA 39 Cb 1.04 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ji8 h ALA 39 CO 0.10 0.64 -1.02 -0.09 0.00 0.00 0.00 179.25 178.88 1ji8 h ARG 40 N 0.00 0.69 0.03 0.00 2.43 -1.24 -1.23 114.38 115.05 1ji8 h ARG 40 Ca -0.01 -0.74 -0.22 0.00 -0.81 0.00 0.00 59.98 58.20 1ji8 h ARG 40 Cb 1.13 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1ji8 h ARG 40 CO 0.07 1.32 -0.98 0.93 -1.51 0.00 0.00 179.97 179.79 1ji8 h GLU 41 N 0.37 0.25 0.00 0.20 3.07 -1.44 -3.15 114.58 113.88 1ji8 h GLU 41 Ca -0.13 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1ji8 h GLU 41 Cb 1.68 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 1ji8 h GLU 41 CO 0.20 1.05 -0.01 -0.07 -1.40 0.00 0.00 179.01 178.79 1ji8 h LEU 42 N 0.12 0.00 0.00 1.33 4.07 -1.47 -3.45 115.31 115.92 1ji8 h LEU 42 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1ji8 h LEU 42 Cb 1.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.38 1ji8 h LEU 42 CO 0.16 0.07 0.00 -0.62 -1.08 0.00 0.00 178.44 176.97 1ji8 n GLU 43 N -2.39 0.00 0.00 1.13 4.71 -0.75 -5.02 120.64 118.31 1ji8 n GLU 43 Ca -0.00 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 1ji8 n GLU 43 Cb 0.00 -0.87 0.00 0.00 -1.01 0.00 0.00 31.44 29.56 1ji8 n GLU 43 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ji8 n GLY 44 N 2.08 0.00 3.36 0.62 0.00 -0.54 -4.98 105.19 105.73 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 4.74 0.40 -0.61 1.01 -1.18 -4.94 121.20 120.62 1ji8 s ILE 45 Ca 0.00 -1.01 0.23 0.00 0.00 0.00 0.00 60.65 59.87 1ji8 s ILE 45 Cb 0.00 -3.75 0.41 0.00 0.01 0.00 0.00 42.46 39.13 1ji8 s ILE 45 CO 0.00 -0.39 1.64 1.56 0.00 0.00 0.00 174.94 177.75 1ji8 h GLN 46 N 8.53 0.17 -2.29 2.79 4.20 -1.91 -3.33 115.11 123.27 1ji8 h GLN 46 Ca -0.26 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1ji8 h GLN 46 Cb 1.10 -0.04 -0.22 0.00 0.30 0.00 0.00 27.48 28.62 1ji8 h GLN 46 CO 0.75 0.11 -0.01 -1.59 -0.67 0.00 0.00 178.83 177.42 1ji8 s LYS 47 N -5.46 0.71 -0.64 1.46 -2.85 -1.26 -4.92 119.74 106.78 1ji8 s LYS 47 Ca -0.09 0.79 -0.28 0.00 -1.00 0.00 0.00 55.97 55.39 1ji8 s LYS 47 Cb 0.30 0.35 -0.12 0.00 -2.06 0.00 0.00 37.83 36.30 1ji8 s LYS 47 CO 0.80 -0.10 2.49 -1.33 0.10 0.00 0.00 175.35 177.32 1ji8 n MET 48 N 2.65 0.72 -0.76 1.78 2.81 -1.26 -4.88 117.12 118.18 1ji8 n MET 48 Ca -0.14 0.02 -0.33 0.00 -1.81 0.00 0.00 57.70 55.45 1ji8 n MET 48 Cb 0.56 -2.75 0.13 0.00 -0.71 0.00 0.00 33.22 30.45 1ji8 n MET 48 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ji8 n THR 49 N 7.78 0.00 -0.11 2.03 -2.24 -1.26 -4.47 114.28 116.01 1ji8 n THR 49 Ca 0.47 -0.21 0.27 0.00 -2.27 0.00 0.00 64.05 62.30 1ji8 n THR 49 Cb 0.36 -0.63 0.70 0.00 -2.10 0.00 0.00 70.33 68.66 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ji8 h GLU 50 N -1.70 0.00 0.00 -0.78 4.81 -2.00 0.23 114.58 115.14 1ji8 h GLU 50 Ca -0.46 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.51 1ji8 h GLU 50 Cb 1.30 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.70 1ji8 h GLU 50 CO 0.35 0.00 -1.04 1.49 -0.73 0.00 0.00 179.01 179.08 1ji8 h GLU 51 N 0.00 0.68 -0.82 1.92 4.81 -1.99 -2.30 114.58 116.88 1ji8 h GLU 51 Ca 0.38 -0.74 -0.02 0.00 -0.13 0.00 0.00 59.36 58.86 1ji8 h GLU 51 Cb 1.77 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 31.32 1ji8 h GLU 51 CO -0.00 1.31 0.45 0.45 -0.73 0.00 0.00 179.01 180.49 1ji8 h HIS 52 N 0.38 1.12 -0.07 0.92 3.86 -0.82 -2.37 115.15 118.18 1ji8 h HIS 52 Ca -0.13 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.85 1ji8 h HIS 52 Cb 1.70 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.81 1ji8 h HIS 52 CO 0.10 0.78 -0.79 -1.49 0.86 0.00 0.00 177.93 177.39 1ji8 h TRP 53 N 1.13 0.65 -0.47 2.45 -0.00 -1.52 -2.23 115.95 115.97 1ji8 h TRP 53 Ca 0.29 -0.31 0.02 0.00 -0.00 0.00 0.00 58.89 58.89 1ji8 h TRP 53 Cb 0.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.16 29.07 1ji8 h TRP 53 CO 0.00 1.09 0.28 -0.22 -0.00 0.00 0.00 178.44 179.60 1ji8 h LYS 54 N 0.31 0.55 0.31 0.49 1.63 -1.08 -1.03 116.57 117.74 1ji8 h LYS 54 Ca -0.05 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1ji8 h LYS 54 Cb 1.39 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 1ji8 h LYS 54 CO 0.14 0.36 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.29 1ji8 h LEU 55 N 0.56 -0.35 -1.93 5.20 4.07 -1.46 -2.47 115.31 118.93 1ji8 h LEU 55 Ca 0.19 -0.10 0.37 0.00 0.08 0.00 0.00 57.88 58.42 1ji8 h LEU 55 Cb 0.01 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 1ji8 h LEU 55 CO -0.08 0.13 0.90 0.58 -1.08 0.00 0.00 178.44 178.89 1ji8 h VAL 56 N -1.05 0.36 0.03 1.22 2.07 -1.40 -0.31 116.25 117.17 1ji8 h VAL 56 Ca -0.04 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ji8 h VAL 56 Cb 0.42 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1ji8 h VAL 56 CO 0.07 0.01 -0.01 0.11 0.02 0.00 0.00 177.57 177.76 1ji8 h LYS 57 N 0.03 -0.03 -0.48 1.57 1.57 -1.16 -1.61 116.57 116.46 1ji8 h LYS 57 Ca 0.62 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.49 1ji8 h LYS 57 Cb 2.39 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 34.63 1ji8 h LYS 57 CO -0.04 0.68 0.02 -0.92 -0.57 0.00 0.00 179.45 178.62 1ji8 h TYR 58 N -0.86 0.02 -0.30 -1.35 3.20 -0.59 -1.96 116.97 115.12 1ji8 h TYR 58 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1ji8 h TYR 58 Cb 0.73 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1ji8 h TYR 58 CO 0.18 -0.08 -0.17 1.25 -1.64 0.00 0.00 178.16 177.71 1ji8 h LEU 59 N 0.14 0.66 -1.03 2.82 6.46 -1.46 -3.06 115.31 119.86 1ji8 h LEU 59 Ca 0.24 -0.42 0.21 0.00 -0.12 0.00 0.00 57.88 57.79 1ji8 h LEU 59 Cb 0.35 -0.18 -0.11 0.00 -0.73 0.00 0.00 40.66 39.99 1ji8 h LEU 59 CO -0.38 0.94 0.61 -0.09 -0.62 0.00 0.00 178.44 178.90 1ji8 h ARG 60 N 0.39 0.67 -0.15 1.25 2.43 -0.58 -1.17 114.38 117.22 1ji8 h ARG 60 Ca 0.06 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1ji8 h ARG 60 Cb 0.70 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.03 1ji8 h ARG 60 CO 0.05 0.44 -0.33 1.49 -1.51 0.00 0.00 179.97 180.11 1ji8 h GLU 61 N 0.69 -0.38 0.00 0.20 4.81 -1.27 0.39 114.58 119.02 1ji8 h GLU 61 Ca 0.60 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.80 1ji8 h GLU 61 Cb 1.02 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1ji8 h GLU 61 CO -0.41 -0.26 -0.26 -0.92 -0.73 0.00 0.00 179.01 176.44 1ji8 h TYR 62 N -0.40 0.00 0.00 0.92 5.03 -1.39 -2.27 116.97 118.86 1ji8 h TYR 62 Ca 0.10 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.39 1ji8 h TYR 62 Cb 0.55 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 1ji8 h TYR 62 CO -0.42 0.26 -0.08 2.35 -1.32 0.00 0.00 178.16 178.95 1ji8 h TRP 63 N 0.00 0.00 0.00 -3.82 7.01 0.15 -2.47 115.95 116.82 1ji8 h TRP 63 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1ji8 h TRP 63 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 1ji8 h TRP 63 CO 0.00 0.08 0.00 1.49 -2.79 0.00 0.00 178.44 177.22 1ji8 h GLU 64 N 0.00 0.00 0.00 2.65 4.81 -0.52 0.08 114.58 121.60 1ji8 h GLU 64 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ji8 h GLU 64 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1ji8 h GLU 64 CO 0.01 0.00 0.00 2.41 -0.73 0.00 0.00 179.01 180.70 1ji8 n THR 65 N -2.72 0.00 -1.86 0.32 -1.04 -0.93 -4.60 114.28 103.45 1ji8 n THR 65 Ca 0.03 0.68 0.04 0.00 -2.04 0.00 0.00 64.05 62.77 1ji8 n THR 65 Cb 0.41 -1.63 0.15 0.00 -1.82 0.00 0.00 70.33 67.44 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 -1.91 0.15 -3.38 -1.42 3.72 -1.25 -5.02 117.46 108.35 1ji8 n PHE 66 Ca 0.00 -1.30 -0.33 0.00 -0.05 0.00 0.00 57.45 55.78 1ji8 n PHE 66 Cb 0.00 -0.23 0.03 0.00 -0.94 0.00 0.00 39.48 38.34 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 -0.69 -0.12 2.67 1.37 0.00 0.01 -4.99 105.19 103.44 1ji8 n GLY 67 Ca 0.17 1.15 -0.16 0.00 0.00 0.00 0.00 46.02 47.18 1ji8 n GLY 67 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ji8 n THR 68 N -0.16 0.00 -3.48 2.61 -2.24 -1.26 -4.92 114.28 104.83 1ji8 n THR 68 Ca -0.05 -2.02 -0.29 0.00 -2.27 0.00 0.00 64.05 59.43 1ji8 n THR 68 Cb 0.64 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.73 1ji8 n THR 68 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ji8 s PRO 70 N 1.39 2.81 0.00 0.00 0.04 -1.26 -5.06 135.00 132.92 1ji8 s PRO 70 Ca 0.15 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1ji8 s PRO 70 Cb -0.21 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1ji8 s PRO 70 CO -0.10 -1.21 0.00 -0.35 0.04 0.00 0.00 177.00 175.38 1ji8 n PRO 71 N -2.86 1.08 -2.42 0.56 -0.04 -1.26 -4.99 135.00 125.06 1ji8 n PRO 71 Ca 0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.34 1ji8 n PRO 71 Cb 0.53 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.35 2.07 0.00 0.52 3.06 -1.26 -4.81 119.36 118.60 1ji8 n ILE 72 Ca 0.00 -4.24 0.00 0.00 -2.50 0.00 0.00 62.75 56.01 1ji8 n ILE 72 Cb 0.00 -0.67 0.00 0.00 0.54 0.00 0.00 39.64 39.51 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1ji8 n LYS 73 N -0.48 0.00 0.21 9.51 4.01 -1.26 -3.96 118.16 126.18 1ji8 n LYS 73 Ca 0.32 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 58.26 1ji8 n LYS 73 Cb 0.78 -0.14 0.74 0.00 -0.51 0.00 0.00 35.03 35.89 1ji8 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1ji8 h MET 74 N 0.00 0.00 -0.32 1.97 -0.00 -2.02 -2.01 114.93 112.55 1ji8 h MET 74 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.54 1ji8 h MET 74 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1ji8 h MET 74 CO 0.00 0.00 -0.41 0.28 -0.00 0.00 0.00 176.91 176.78 1ji8 h VAL 75 N 0.00 1.28 -0.96 -0.10 2.07 -1.87 -3.02 116.25 113.65 1ji8 h VAL 75 Ca 0.00 -1.59 0.14 0.00 0.82 0.00 0.00 66.70 66.07 1ji8 h VAL 75 Cb 0.04 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 1ji8 h VAL 75 CO 0.00 0.52 0.61 0.74 0.02 0.00 0.00 177.57 179.46 1ji8 h THR 76 N 0.63 0.87 -0.18 2.57 2.02 -1.48 0.28 112.91 117.62 1ji8 h THR 76 Ca 0.04 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.81 1ji8 h THR 76 Cb 1.00 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1ji8 h THR 76 CO 0.10 0.16 -0.39 0.11 0.37 0.00 0.00 175.52 175.86 1ji8 h LYS 77 N 0.86 0.40 -0.00 6.66 1.57 -1.65 0.11 116.57 124.52 1ji8 h LYS 77 Ca 0.48 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1ji8 h LYS 77 Cb 0.61 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ji8 h LYS 77 CO -0.25 0.73 -0.00 -1.91 -0.57 0.00 0.00 179.45 177.45 1ji8 n GLU 78 N -4.04 1.03 0.00 3.15 4.07 -0.00 -4.53 120.64 120.32 1ji8 n GLU 78 Ca -0.01 -0.07 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1ji8 n GLU 78 Cb 0.49 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.37 1ji8 n GLU 78 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1ji8 n THR 79 N -0.92 0.00 0.00 6.31 -2.24 -0.65 -5.08 114.28 111.70 1ji8 n THR 79 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1ji8 n THR 79 Cb 0.13 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 2.84 2.00 3.55 3.38 0.00 0.34 -5.08 105.19 112.21 1ji8 n GLY 80 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.50 -0.04 1.61 0.08 -1.26 -4.96 117.98 113.91 1ji8 s PHE 81 Ca 0.00 0.07 -0.39 0.00 0.12 0.00 0.00 56.93 56.73 1ji8 s PHE 81 Cb 0.00 -4.48 -0.18 0.00 -0.57 0.00 0.00 43.02 37.79 1ji8 s PHE 81 CO 0.00 -1.76 1.32 0.43 -0.10 0.00 0.00 175.22 175.10 1ji8 n SER 82 N 8.62 1.09 -0.34 1.36 7.64 -1.26 -4.71 113.62 126.02 1ji8 n SER 82 Ca 0.04 1.14 0.24 0.00 1.01 0.00 0.00 58.87 61.30 1ji8 n SER 82 Cb 0.48 -1.06 0.52 0.00 -1.01 0.00 0.00 64.21 63.15 1ji8 n SER 82 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ji8 h LEU 83 N 4.35 0.43 -0.22 -3.43 5.85 -2.00 0.74 115.31 121.04 1ji8 h LEU 83 Ca -0.48 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.37 1ji8 h LEU 83 Cb 1.37 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1ji8 h LEU 83 CO 0.77 0.04 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.55 1ji8 h GLU 84 N 0.36 0.03 0.08 1.25 3.07 -2.00 -1.65 114.58 115.71 1ji8 h GLU 84 Ca 0.63 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1ji8 h GLU 84 Cb 1.65 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 1ji8 h GLU 84 CO -0.33 0.02 -0.04 0.87 -1.40 0.00 0.00 179.01 178.12 1ji8 h LYS 85 N 0.03 -0.11 -1.00 2.33 1.79 -1.19 -1.96 116.57 116.45 1ji8 h LYS 85 Ca 0.10 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.79 1ji8 h LYS 85 Cb 0.15 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 30.71 1ji8 h LYS 85 CO -0.20 -0.06 0.61 0.82 -1.08 0.00 0.00 179.45 179.54 1ji8 h ILE 86 N -0.13 0.64 -0.35 1.86 1.08 -1.13 0.18 117.51 119.66 1ji8 h ILE 86 Ca -0.01 -0.23 -0.12 0.00 -0.39 0.00 0.00 64.86 64.10 1ji8 h ILE 86 Cb 0.10 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1ji8 h ILE 86 CO 0.02 0.12 -0.28 0.22 -0.69 0.00 0.00 178.15 177.54 1ji8 h TYR 87 N 0.68 0.83 -0.10 1.37 3.20 -0.77 -2.32 116.97 119.87 1ji8 h TYR 87 Ca 0.60 -0.20 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 1ji8 h TYR 87 Cb 1.04 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.10 1ji8 h TYR 87 CO -0.00 0.92 -0.17 1.96 -1.64 0.00 0.00 178.16 179.22 1ji8 h GLN 88 N 0.62 0.16 0.14 1.82 4.20 0.06 -3.25 115.11 118.85 1ji8 h GLN 88 Ca 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1ji8 h GLN 88 Cb 0.79 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1ji8 h GLN 88 CO 0.07 0.34 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.42 1ji8 h LEU 89 N 0.15 -0.16 -9.90 1.46 3.38 -1.07 -3.46 115.31 105.71 1ji8 h LEU 89 Ca 0.03 0.01 -0.58 0.00 0.09 0.00 0.00 57.88 57.43 1ji8 h LEU 89 Cb 0.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ji8 h LEU 89 CO 0.03 0.24 -0.25 -0.36 0.09 0.00 0.00 178.44 178.19 1ji8 s PHE 90 N -2.14 3.51 -1.12 1.13 0.08 -0.90 -4.99 117.98 113.56 1ji8 s PHE 90 Ca -0.03 0.71 -0.22 0.00 0.12 0.00 0.00 56.93 57.52 1ji8 s PHE 90 Cb 0.00 -2.12 -0.02 0.00 -0.57 0.00 0.00 43.02 40.32 1ji8 s PHE 90 CO 0.08 0.44 1.81 -1.25 -0.10 0.00 0.00 175.22 176.20 1ji8 s PRO 91 N -2.37 3.06 -0.78 0.24 0.04 -1.26 -4.38 135.00 129.54 1ji8 s PRO 91 Ca 0.39 -1.16 -0.03 0.00 0.04 0.00 0.00 61.00 60.24 1ji8 s PRO 91 Cb -0.13 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.12 1ji8 s PRO 91 CO 0.21 -3.13 0.62 0.43 0.04 0.00 0.00 177.00 175.18 1ji8 n SER 92 N 11.91 -5.36 0.00 6.66 7.64 -1.26 -4.89 113.62 128.32 1ji8 n SER 92 Ca 0.43 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1ji8 n SER 92 Cb 0.47 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.43 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 -1.55 -1.81 0.00 0.23 0.00 -1.26 -5.00 105.19 95.80 1ji8 n GLY 93 Ca -0.25 0.76 0.11 0.00 0.00 0.00 0.00 46.02 46.64 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 0.65 -0.06 1.61 -0.04 -1.26 -1.49 135.00 134.42 1ji8 n PRO 94 Ca 0.00 0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1ji8 n PRO 94 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.02 0.55 0.59 0.55 0.00 -1.26 -4.22 120.51 115.71 1ji8 n ALA 95 Ca 0.16 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 53.13 1ji8 n ALA 95 Cb 0.08 0.02 0.44 0.00 0.00 0.00 0.00 19.45 19.99 1ji8 n ALA 95 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ji8 n HIS 96 N -3.81 0.80 0.00 0.00 -0.00 -1.25 -3.24 115.22 107.73 1ji8 n HIS 96 Ca -0.09 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.35 1ji8 n HIS 96 Cb 0.33 -0.92 0.00 0.00 -0.12 0.00 0.00 29.99 29.28 1ji8 n HIS 96 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ji8 n GLY 97 N 0.93 0.56 0.42 1.57 0.00 -0.55 -1.95 105.19 106.17 1ji8 n GLY 97 Ca 0.05 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 2.51 0.06 4.61 0.00 -1.73 0.26 119.26 122.97 1ji8 h ALA 98 Ca 0.00 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ji8 h ALA 98 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ji8 h ALA 98 CO 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 179.25 178.07 1ji8 h LYS 100 N -0.39 0.13 0.00 0.00 1.63 0.17 0.04 116.57 118.15 1ji8 h LYS 100 Ca -0.01 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.71 1ji8 h LYS 100 Cb 0.35 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1ji8 h LYS 100 CO 0.01 0.08 -0.35 0.28 -3.45 0.00 0.00 179.45 176.03 1ji8 h VAL 101 N 0.13 1.01 0.00 2.00 2.07 -1.38 -2.53 116.25 117.55 1ji8 h VAL 101 Ca 0.21 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1ji8 h VAL 101 Cb 0.30 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1ji8 h VAL 101 CO -0.33 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1ji8 h ALA 102 N 1.65 1.00 -2.34 1.67 0.00 0.76 -3.43 119.26 118.57 1ji8 h ALA 102 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ji8 h ALA 102 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ji8 h ALA 102 CO 0.05 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1ji8 n GLY 103 N 0.63 0.61 2.41 0.00 0.00 -0.28 -4.97 105.19 103.59 1ji8 n GLY 103 Ca 0.03 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.05 1.87 -1.76 4.61 0.00 -1.16 -4.81 120.51 118.20 1ji8 n ALA 104 Ca 0.00 -2.79 -0.39 0.00 0.00 0.00 0.00 53.44 50.25 1ji8 n ALA 104 Cb 0.39 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.10 4.45 0.14 0.00 0.04 -1.26 -4.79 135.00 133.49 1ji8 s PRO 105 Ca 0.33 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.85 1ji8 s PRO 105 Cb 0.08 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.54 1ji8 s PRO 105 CO -0.16 0.05 1.55 0.87 0.04 0.00 0.00 177.00 179.34 1ji8 h LYS 106 N 3.39 -0.26 -6.34 4.56 1.57 -1.98 -3.33 116.57 114.18 1ji8 h LYS 106 Ca -0.47 0.02 -0.55 0.00 -1.87 0.00 0.00 60.65 57.77 1ji8 h LYS 106 Cb 1.22 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 1ji8 h LYS 106 CO 0.65 -0.18 1.18 -1.25 -0.57 0.00 0.00 179.45 179.29 1ji8 s PRO 107 N -5.63 3.28 -0.29 3.15 0.04 -1.26 -4.85 135.00 129.44 1ji8 s PRO 107 Ca -0.14 0.87 0.10 0.00 0.04 0.00 0.00 61.00 61.88 1ji8 s PRO 107 Cb 0.10 -4.16 0.55 0.00 0.04 0.00 0.00 34.50 31.04 1ji8 s PRO 107 CO 0.62 -1.93 1.54 2.41 0.04 0.00 0.00 177.00 179.68 1ji8 n THR 108 N 7.13 2.61 -0.37 1.26 -1.04 -1.25 -4.86 114.28 117.75 1ji8 n THR 108 Ca 0.18 -2.34 0.00 0.00 -2.04 0.00 0.00 64.05 59.84 1ji8 n THR 108 Cb 0.49 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.91 0.76 0.07 3.41 0.00 -1.26 -4.96 105.19 102.31 1ji8 n GLY 109 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32