#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 0.70 -5.20 0.03 0.13 -2.02 -3.43 132.00 122.21 1ji8 h PRO 2 Ca 0.00 -0.56 -0.66 0.00 -0.87 0.00 0.00 66.00 63.92 1ji8 h PRO 2 Cb 0.00 0.11 -0.27 0.00 0.13 0.00 0.00 31.00 30.97 1ji8 h PRO 2 CO 0.00 1.17 -0.75 0.08 -0.23 0.00 0.00 178.00 178.27 1ji8 s VAL 3 N -3.76 3.11 -0.92 1.56 1.01 -1.26 -5.03 120.40 115.12 1ji8 s VAL 3 Ca -0.09 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1ji8 s VAL 3 Cb 0.09 -2.35 -0.11 0.00 0.00 0.00 0.00 36.38 34.02 1ji8 s VAL 3 CO 0.89 0.49 2.13 -0.75 0.00 0.00 0.00 175.10 177.86 1ji8 s LYS 4 N 0.76 2.02 0.10 2.72 2.20 -1.26 -4.90 119.74 121.39 1ji8 s LYS 4 Ca -0.04 -0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.37 1ji8 s LYS 4 Cb -0.15 -4.98 -0.05 0.00 -1.51 0.00 0.00 37.83 31.14 1ji8 s LYS 4 CO 0.01 -4.12 0.34 0.00 -0.36 0.00 0.00 175.35 171.22 1ji8 s PRO 6 N -2.39 3.85 0.07 0.00 0.04 -1.26 -4.75 135.00 130.57 1ji8 s PRO 6 Ca 0.37 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 1ji8 s PRO 6 Cb -0.13 -2.11 0.08 0.00 0.04 0.00 0.00 34.50 32.39 1ji8 s PRO 6 CO 0.23 -0.38 0.69 0.20 0.04 0.00 0.00 177.00 177.78 1ji8 s GLY 7 N -2.10 -0.56 0.27 0.56 0.00 -0.46 -4.99 107.32 100.03 1ji8 s GLY 7 Ca 0.66 0.82 0.09 0.00 0.00 0.00 0.00 44.72 46.29 1ji8 s GLY 7 CO 0.20 0.39 0.08 -1.83 0.00 0.00 0.00 173.10 171.94 1ji8 s GLU 8 N -3.02 2.49 0.26 2.90 -1.05 -1.26 -1.09 118.70 117.93 1ji8 s GLU 8 Ca -0.01 -1.33 -0.16 0.00 -0.15 0.00 0.00 54.97 53.33 1ji8 s GLU 8 Cb -0.01 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.40 1ji8 s GLU 8 CO -0.07 0.33 0.56 0.71 0.95 0.00 0.00 175.26 177.74 1ji8 s TYR 9 N -2.28 0.17 -0.03 4.83 2.02 -0.67 -4.99 117.35 116.40 1ji8 s TYR 9 Ca 0.33 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.52 1ji8 s TYR 9 Cb -0.06 0.37 -0.01 0.00 -0.40 0.00 0.00 41.96 41.85 1ji8 s TYR 9 CO 0.22 -1.07 -0.17 -0.65 -1.57 0.00 0.00 175.55 172.31 1ji8 s GLN 10 N -3.98 1.57 -0.06 -0.62 -0.21 -1.26 -1.78 119.66 113.31 1ji8 s GLN 10 Ca 0.18 -0.61 -0.02 0.00 0.02 0.00 0.00 55.36 54.92 1ji8 s GLN 10 Cb -0.02 -1.44 0.04 0.00 1.00 0.00 0.00 33.01 32.58 1ji8 s GLN 10 CO 0.08 0.32 0.10 0.08 -2.12 0.00 0.00 175.29 173.74 1ji8 s VAL 11 N -0.21 -0.16 -0.66 1.09 1.01 -1.05 -4.92 120.40 115.51 1ji8 s VAL 11 Ca 0.02 0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1ji8 s VAL 11 Cb -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1ji8 s VAL 11 CO 0.01 0.16 0.63 -0.67 0.00 0.00 0.00 175.10 175.23 1ji8 n ASP 12 N 5.18 -5.28 -3.88 3.32 2.03 -1.26 -2.07 116.55 114.60 1ji8 n ASP 12 Ca -0.06 -0.56 -0.36 0.00 0.52 0.00 0.00 54.79 54.32 1ji8 n ASP 12 Cb 0.50 -1.85 0.02 0.00 -0.72 0.00 0.00 41.12 39.07 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 -1.00 -1.01 3.38 0.27 0.00 -1.26 -4.95 105.19 100.62 1ji8 n GLY 13 Ca -0.20 0.44 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 -6.32 1.20 -0.19 1.61 2.20 -0.88 -5.15 119.74 112.22 1ji8 s LYS 14 Ca 0.35 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1ji8 s LYS 14 Cb -0.17 0.55 0.03 0.00 -1.51 0.00 0.00 37.83 36.72 1ji8 s LYS 14 CO 0.92 -0.51 -0.15 0.15 -0.36 0.00 0.00 175.35 175.40 1ji8 s LYS 15 N -3.75 2.51 -0.21 4.03 1.02 -1.26 -2.51 119.74 119.56 1ji8 s LYS 15 Ca 0.02 -0.86 -0.03 0.00 0.02 0.00 0.00 55.97 55.11 1ji8 s LYS 15 Cb 0.00 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1ji8 s LYS 15 CO -0.13 -0.32 -0.07 0.08 -0.92 0.00 0.00 175.35 173.99 1ji8 s VAL 16 N 1.32 3.12 -0.09 3.17 1.01 -0.74 -4.90 120.40 123.30 1ji8 s VAL 16 Ca 0.01 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1ji8 s VAL 16 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1ji8 s VAL 16 CO -0.10 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 174.93 1ji8 s ILE 17 N 1.40 5.18 -0.16 2.22 1.01 -1.26 -1.67 121.20 127.92 1ji8 s ILE 17 Ca 0.05 0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1ji8 s ILE 17 Cb -0.14 -3.27 0.02 0.00 0.01 0.00 0.00 42.46 39.08 1ji8 s ILE 17 CO -0.05 0.57 -0.17 -0.76 0.00 0.00 0.00 174.94 174.53 1ji8 s LEU 18 N -1.14 1.90 0.00 2.97 1.43 -0.25 -3.26 118.68 120.33 1ji8 s LEU 18 Ca 0.16 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1ji8 s LEU 18 Cb -0.12 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1ji8 s LEU 18 CO 0.06 -0.02 0.00 -0.67 0.23 0.00 0.00 176.35 175.94 1ji8 n ASP 19 N 4.67 0.00 -4.53 2.29 2.03 -0.78 -1.36 116.55 118.87 1ji8 n ASP 19 Ca -0.19 -0.97 -0.39 0.00 0.52 0.00 0.00 54.79 53.76 1ji8 n ASP 19 Cb 0.50 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.93 1ji8 n ASP 19 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ji8 n GLU 20 N -0.97 0.81 -1.55 -0.67 2.13 -1.26 -1.06 120.64 118.07 1ji8 n GLU 20 Ca 0.00 0.30 -0.16 0.00 0.66 0.00 0.00 57.16 57.96 1ji8 n GLU 20 Cb 0.00 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 29.80 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 0.38 -4.97 -3.70 4.31 -0.08 -1.26 -2.96 116.55 108.27 1ji8 n ASP 21 Ca 0.11 0.37 -0.25 0.00 -1.51 0.00 0.00 54.79 53.51 1ji8 n ASP 21 Cb 0.44 -3.94 0.03 0.00 2.34 0.00 0.00 41.12 39.99 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 -3.62 3.65 -0.19 0.00 0.08 -1.14 -4.82 117.98 111.94 1ji8 s PHE 23 Ca 0.22 0.73 -0.29 0.00 0.12 0.00 0.00 56.93 57.72 1ji8 s PHE 23 Cb -0.07 -2.10 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 1ji8 s PHE 23 CO 0.84 0.68 1.68 1.41 -0.10 0.00 0.00 175.22 179.73 1ji8 s MET 24 N -1.00 3.81 -0.29 0.44 1.75 -1.26 -1.86 119.30 120.88 1ji8 s MET 24 Ca 0.19 1.79 0.08 0.00 -1.25 0.00 0.00 55.69 56.50 1ji8 s MET 24 Cb -0.14 -4.06 0.46 0.00 2.84 0.00 0.00 34.83 33.93 1ji8 s MET 24 CO 0.08 -1.28 1.33 1.04 -0.65 0.00 0.00 175.02 175.53 1ji8 n GLN 25 N 7.67 2.47 -2.80 4.11 1.13 -1.20 -4.07 117.38 124.69 1ji8 n GLN 25 Ca 0.19 -3.60 -0.10 0.00 -1.94 0.00 0.00 57.00 51.55 1ji8 n GLN 25 Cb 0.45 -1.96 0.04 0.00 0.11 0.00 0.00 30.24 28.88 1ji8 n GLN 25 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ji8 n ASN 26 N -0.96 -2.48 0.00 1.08 6.94 -1.26 -4.88 115.26 113.70 1ji8 n ASN 26 Ca 0.35 -3.29 0.10 0.00 -0.02 0.00 0.00 54.58 51.72 1ji8 n ASN 26 Cb 0.88 1.57 0.61 0.00 -2.36 0.00 0.00 39.78 40.48 1ji8 n ASN 26 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ji8 n PRO 27 N 1.45 0.62 0.13 -0.53 -0.04 -1.26 -2.86 135.00 132.51 1ji8 n PRO 27 Ca 0.10 0.01 0.01 0.00 -0.04 0.00 0.00 63.50 63.58 1ji8 n PRO 27 Cb 0.63 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1ji8 n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ji8 h GLU 28 N 0.00 0.00 -0.17 0.54 4.39 -1.94 -3.28 114.58 114.12 1ji8 h GLU 28 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1ji8 h GLU 28 Cb 0.02 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1ji8 h GLU 28 CO 0.00 0.58 -0.19 -0.25 -1.16 0.00 0.00 179.01 177.99 1ji8 n ASP 29 N -3.25 2.39 -4.76 1.42 9.92 -1.13 -5.03 116.55 116.10 1ji8 n ASP 29 Ca 0.02 -3.61 -0.39 0.00 -0.53 0.00 0.00 54.79 50.28 1ji8 n ASP 29 Cb 0.77 -0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 40.64 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 -3.13 3.59 0.00 1.24 -0.00 -1.24 -4.91 118.94 114.49 1ji8 s TRP 30 Ca 0.40 1.73 0.00 0.00 -0.00 0.00 0.00 56.10 58.23 1ji8 s TRP 30 Cb 0.37 -3.19 0.00 0.00 -0.00 0.00 0.00 33.47 30.64 1ji8 s TRP 30 CO -0.01 -0.37 0.00 -3.47 -0.00 0.00 0.00 176.95 173.11 1ji8 n ASP 31 N 0.98 0.00 0.07 5.86 -0.08 -1.26 -5.00 116.55 117.11 1ji8 n ASP 31 Ca -0.00 -0.74 -0.07 0.00 -1.51 0.00 0.00 54.79 52.47 1ji8 n ASP 31 Cb 0.46 0.00 0.08 0.00 2.34 0.00 0.00 41.12 44.00 1ji8 n ASP 31 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ji8 h GLU 32 N 0.00 0.31 -0.21 -0.67 5.08 -1.99 -2.32 114.58 114.77 1ji8 h GLU 32 Ca 0.00 -0.23 -0.17 0.00 -1.00 0.00 0.00 59.36 57.96 1ji8 h GLU 32 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ji8 h GLU 32 CO 0.00 0.85 -0.57 0.87 -1.00 0.00 0.00 179.01 179.16 1ji8 h LYS 33 N 0.22 0.67 0.06 2.33 1.79 -1.97 -1.80 116.57 117.87 1ji8 h LYS 33 Ca -0.01 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1ji8 h LYS 33 Cb 1.18 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1ji8 h LYS 33 CO 0.10 1.06 -0.03 0.28 -1.08 0.00 0.00 179.45 179.78 1ji8 h VAL 34 N 0.51 1.23 -0.19 0.50 2.07 -1.90 0.21 116.25 118.69 1ji8 h VAL 34 Ca 0.00 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1ji8 h VAL 34 Cb 1.15 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 1ji8 h VAL 34 CO 0.11 0.27 0.09 0.00 0.02 0.00 0.00 177.57 178.07 1ji8 h ALA 35 N 0.29 0.22 0.00 1.67 0.00 -1.48 -1.66 119.26 118.30 1ji8 h ALA 35 Ca -0.01 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ji8 h ALA 35 Cb 0.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ji8 h ALA 35 CO 0.01 -0.33 -0.25 1.49 0.00 0.00 0.00 179.25 180.17 1ji8 h GLU 36 N 0.19 0.00 0.61 0.00 4.22 -1.38 -2.29 114.58 115.94 1ji8 h GLU 36 Ca 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.49 1ji8 h GLU 36 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1ji8 h GLU 36 CO -0.06 0.25 -0.29 2.35 -2.18 0.00 0.00 179.01 179.08 1ji8 h TRP 37 N 0.00 -0.76 -0.93 0.92 7.01 -0.05 -0.99 115.95 121.14 1ji8 h TRP 37 Ca -0.00 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.04 1ji8 h TRP 37 Cb 0.55 0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.80 1ji8 h TRP 37 CO 0.00 -0.48 0.61 -0.07 -2.79 0.00 0.00 178.44 175.71 1ji8 h LEU 38 N -1.14 0.94 -1.38 0.65 3.38 -1.38 -0.39 115.31 115.99 1ji8 h LEU 38 Ca -0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1ji8 h LEU 38 Cb 0.63 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1ji8 h LEU 38 CO 0.14 0.60 -0.25 0.00 0.09 0.00 0.00 178.44 179.02 1ji8 h ALA 39 N 1.49 1.49 0.03 1.53 0.00 -1.40 -0.99 119.26 121.42 1ji8 h ALA 39 Ca 0.40 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 1ji8 h ALA 39 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ji8 h ALA 39 CO -0.15 0.37 -0.99 -0.09 0.00 0.00 0.00 179.25 178.39 1ji8 h ARG 40 N 0.08 0.32 0.00 0.00 2.43 0.31 -0.76 114.38 116.76 1ji8 h ARG 40 Ca 0.01 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 58.68 1ji8 h ARG 40 Cb 0.49 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1ji8 h ARG 40 CO 0.03 1.09 -0.57 0.93 -1.51 0.00 0.00 179.97 179.94 1ji8 h GLU 41 N 0.16 0.00 0.00 0.20 5.08 -0.95 -1.92 114.58 117.15 1ji8 h GLU 41 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1ji8 h GLU 41 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1ji8 h GLU 41 CO 0.16 0.57 -0.26 1.28 -1.00 0.00 0.00 179.01 179.77 1ji8 n LEU 42 N -3.37 0.73 0.08 1.33 4.32 -0.40 -4.63 117.00 115.05 1ji8 n LEU 42 Ca 0.01 0.32 -0.10 0.00 -0.02 0.00 0.00 56.01 56.22 1ji8 n LEU 42 Cb 0.70 -0.63 -0.12 0.00 -1.62 0.00 0.00 43.42 41.75 1ji8 n LEU 42 CO 0.41 -0.47 0.08 -0.33 -1.22 0.00 0.00 177.39 175.86 1ji8 h GLU 43 N -0.39 0.11 0.00 3.23 3.07 -1.37 -3.48 114.58 115.75 1ji8 h GLU 43 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1ji8 h GLU 43 Cb 0.26 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1ji8 h GLU 43 CO 0.00 1.07 0.00 0.41 -1.40 0.00 0.00 179.01 179.09 1ji8 n GLY 44 N 1.39 0.36 3.70 -3.84 0.00 -0.72 -5.00 105.19 101.08 1ji8 n GLY 44 Ca -0.03 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.46 1ji8 n GLY 44 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ji8 n ILE 45 N -1.80 0.46 0.03 -0.61 5.41 -1.22 -4.83 119.36 116.80 1ji8 n ILE 45 Ca 0.00 -0.08 -0.01 0.00 1.00 0.00 0.00 62.75 63.65 1ji8 n ILE 45 Cb 0.00 -1.58 -0.09 0.00 -0.71 0.00 0.00 39.64 37.26 1ji8 n ILE 45 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1ji8 h GLN 46 N 8.34 0.00 -3.30 0.38 4.20 -1.92 -3.34 115.11 119.47 1ji8 h GLN 46 Ca -0.48 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 57.69 1ji8 h GLN 46 Cb 1.29 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.67 1ji8 h GLN 46 CO 0.96 0.33 -0.76 -1.59 -0.67 0.00 0.00 178.83 177.10 1ji8 s LYS 47 N -2.87 0.50 -0.29 1.46 -2.85 -1.26 -5.08 119.74 109.35 1ji8 s LYS 47 Ca -0.03 -0.67 -0.40 0.00 -1.00 0.00 0.00 55.97 53.88 1ji8 s LYS 47 Cb 0.09 -1.78 -0.15 0.00 -2.06 0.00 0.00 37.83 33.92 1ji8 s LYS 47 CO 0.81 -0.88 1.80 -1.33 0.10 0.00 0.00 175.35 175.85 1ji8 n MET 48 N 5.05 1.14 0.00 1.78 2.81 -1.26 -4.93 117.12 121.71 1ji8 n MET 48 Ca -0.05 0.41 0.00 0.00 -1.81 0.00 0.00 57.70 56.24 1ji8 n MET 48 Cb 0.44 -2.13 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 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 4.87 0.00 0.15 2.03 -2.24 -1.26 -4.92 114.28 112.91 1ji8 n THR 49 Ca 0.28 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 1ji8 n THR 49 Cb 0.13 -1.16 0.07 0.00 -2.10 0.00 0.00 70.33 67.28 1ji8 n THR 49 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1ji8 h GLU 50 N 0.00 0.00 0.03 -0.78 3.07 -2.00 -3.32 114.58 111.58 1ji8 h GLU 50 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1ji8 h GLU 50 Cb 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1ji8 h GLU 50 CO 0.00 0.06 -0.58 0.93 -1.40 0.00 0.00 179.01 178.02 1ji8 h GLU 51 N 0.00 0.33 -0.06 2.33 3.07 -1.99 -2.33 114.58 115.94 1ji8 h GLU 51 Ca -0.01 -0.40 0.03 0.00 -0.50 0.00 0.00 59.36 58.48 1ji8 h GLU 51 Cb 1.07 0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 1ji8 h GLU 51 CO 0.01 1.10 -0.19 0.45 -1.40 0.00 0.00 179.01 178.99 1ji8 h HIS 52 N -0.26 -0.49 0.00 4.33 3.86 -1.94 -1.18 115.15 119.47 1ji8 h HIS 52 Ca -0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1ji8 h HIS 52 Cb 1.33 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 30.02 1ji8 h HIS 52 CO 0.17 -0.27 -0.29 -1.49 0.86 0.00 0.00 177.93 176.91 1ji8 h TRP 53 N -0.27 0.00 0.39 2.45 -0.00 -1.67 -1.65 115.95 115.20 1ji8 h TRP 53 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.95 1ji8 h TRP 53 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.54 1ji8 h TRP 53 CO -0.26 0.29 -0.19 -0.22 -0.00 0.00 0.00 178.44 178.06 1ji8 h LYS 54 N 0.00 -0.51 -0.67 0.49 3.64 -0.65 0.13 116.57 119.00 1ji8 h LYS 54 Ca -0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1ji8 h LYS 54 Cb 0.59 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 1ji8 h LYS 54 CO 0.04 -0.34 0.44 1.25 -2.27 0.00 0.00 179.45 178.57 1ji8 h LEU 55 N -0.56 0.76 -2.03 5.20 5.85 -1.45 -0.96 115.31 122.13 1ji8 h LEU 55 Ca -0.05 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1ji8 h LEU 55 Cb 0.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1ji8 h LEU 55 CO 0.09 0.55 0.25 0.58 -0.34 0.00 0.00 178.44 179.57 1ji8 h VAL 56 N 0.90 0.77 -0.00 1.05 2.07 -1.28 -2.01 116.25 117.75 1ji8 h VAL 56 Ca 0.25 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.74 1ji8 h VAL 56 Cb -0.09 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1ji8 h VAL 56 CO -0.06 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.54 1ji8 h LYS 57 N 0.00 0.08 -0.95 1.57 1.57 0.41 -2.68 116.57 116.56 1ji8 h LYS 57 Ca 0.16 -0.08 0.10 0.00 -1.87 0.00 0.00 60.65 58.96 1ji8 h LYS 57 Cb 0.66 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.91 1ji8 h LYS 57 CO -0.00 0.82 0.59 -0.92 -0.57 0.00 0.00 179.45 179.37 1ji8 h TYR 58 N -0.64 1.08 -0.42 -1.35 5.03 -0.89 -1.34 116.97 118.45 1ji8 h TYR 58 Ca -0.01 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 1ji8 h TYR 58 Cb 0.85 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1ji8 h TYR 58 CO 0.19 0.47 -0.21 -0.07 -1.32 0.00 0.00 178.16 177.21 1ji8 h LEU 59 N 0.99 0.85 -2.11 2.82 4.07 -1.45 -2.69 115.31 117.78 1ji8 h LEU 59 Ca 0.45 -0.31 0.03 0.00 0.08 0.00 0.00 57.88 58.14 1ji8 h LEU 59 Cb 0.37 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1ji8 h LEU 59 CO -0.23 1.03 0.10 -0.09 -1.08 0.00 0.00 178.44 178.17 1ji8 h ARG 60 N 0.73 0.00 0.05 1.13 1.12 -0.89 -1.68 114.38 114.83 1ji8 h ARG 60 Ca 0.10 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.75 1ji8 h ARG 60 Cb 0.74 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.72 1ji8 h ARG 60 CO 0.06 0.00 -0.87 1.49 -3.11 0.00 0.00 179.97 177.53 1ji8 h GLU 61 N 0.00 0.51 0.00 0.20 4.57 -1.21 -3.23 114.58 115.42 1ji8 h GLU 61 Ca 0.06 -0.61 -0.05 0.00 -1.18 0.00 0.00 59.36 57.57 1ji8 h GLU 61 Cb 0.25 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1ji8 h GLU 61 CO -0.00 1.24 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.91 1ji8 h TYR 62 N 0.06 0.00 0.00 0.92 3.20 -1.28 -1.92 116.97 117.96 1ji8 h TYR 62 Ca -0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1ji8 h TYR 62 Cb 1.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.85 1ji8 h TYR 62 CO 0.14 0.24 0.00 1.87 -1.64 0.00 0.00 178.16 178.76 1ji8 n TRP 63 N -3.80 0.00 -0.44 -3.82 -0.00 -0.70 -2.26 117.44 106.42 1ji8 n TRP 63 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.58 1ji8 n TRP 63 Cb 0.33 -0.13 0.29 0.00 -0.00 0.00 0.00 31.31 31.80 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 -1.13 3.08 -0.06 5.87 2.13 -0.72 -3.74 120.64 126.06 1ji8 n GLU 64 Ca 0.12 -2.61 -0.12 0.00 0.66 0.00 0.00 57.16 55.20 1ji8 n GLU 64 Cb 0.10 -1.62 -0.05 0.00 0.27 0.00 0.00 31.44 30.15 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 1.14 0.72 0.00 6.31 -1.04 -0.96 -4.91 114.28 115.53 1ji8 n THR 65 Ca 0.22 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 1ji8 n THR 65 Cb 0.68 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1ji8 n THR 65 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1ji8 n PHE 66 N -3.35 0.00 -0.15 -1.42 -0.00 -1.25 -5.07 117.46 106.22 1ji8 n PHE 66 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.20 1ji8 n PHE 66 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.18 1ji8 n PHE 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ji8 n GLY 67 N 2.07 0.74 0.00 7.13 0.00 -1.25 -5.10 105.19 108.78 1ji8 n GLY 67 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.11 0.00 -3.32 2.61 -2.24 -1.26 -4.93 114.28 105.03 1ji8 n THR 68 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1ji8 n THR 68 Cb 0.04 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 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 1.87 0.04 0.00 0.00 0.04 -1.26 -5.04 135.00 130.66 1ji8 s PRO 70 Ca 0.14 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1ji8 s PRO 70 Cb -0.12 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1ji8 s PRO 70 CO -0.13 -2.90 0.00 -0.35 0.04 0.00 0.00 177.00 173.66 1ji8 n PRO 71 N -4.22 0.92 -0.04 0.56 -0.04 -1.26 -4.99 135.00 125.93 1ji8 n PRO 71 Ca 0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1ji8 n PRO 71 Cb 0.59 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.12 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 -0.44 0.28 0.08 0.52 0.13 -1.26 -4.46 119.36 114.21 1ji8 n ILE 72 Ca 0.00 -0.64 0.02 0.00 -1.10 0.00 0.00 62.75 61.03 1ji8 n ILE 72 Cb 0.00 1.01 -0.03 0.00 -0.84 0.00 0.00 39.64 39.77 1ji8 n ILE 72 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1ji8 h LYS 73 N 1.88 0.00 0.01 9.51 3.64 -2.00 -3.32 116.57 126.28 1ji8 h LYS 73 Ca 0.00 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 1ji8 h LYS 73 Cb 0.49 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1ji8 h LYS 73 CO 0.00 0.33 -1.54 0.52 -2.27 0.00 0.00 179.45 176.49 1ji8 h MET 74 N 0.00 0.01 0.00 1.90 2.86 -1.98 -3.33 114.93 114.40 1ji8 h MET 74 Ca -0.09 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 1ji8 h MET 74 Cb 1.45 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.11 1ji8 h MET 74 CO 0.05 0.65 -0.25 0.28 1.06 0.00 0.00 176.91 178.69 1ji8 h VAL 75 N 0.00 1.10 -0.16 -2.22 2.07 -1.78 -2.41 116.25 112.85 1ji8 h VAL 75 Ca -0.22 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1ji8 h VAL 75 Cb 1.96 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1ji8 h VAL 75 CO 0.09 0.25 -0.02 0.74 0.02 0.00 0.00 177.57 178.65 1ji8 h THR 76 N 0.00 1.12 -0.62 2.57 2.02 -1.67 -1.99 112.91 114.34 1ji8 h THR 76 Ca -0.00 -0.46 0.18 0.00 0.77 0.00 0.00 66.41 66.89 1ji8 h THR 76 Cb 0.47 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1ji8 h THR 76 CO 0.03 0.15 0.58 0.50 0.37 0.00 0.00 175.52 177.16 1ji8 h LYS 77 N 0.23 0.00 -1.35 6.66 3.11 -1.61 -2.44 116.57 121.16 1ji8 h LYS 77 Ca 0.05 0.00 -0.42 0.00 -2.81 0.00 0.00 60.65 57.47 1ji8 h LYS 77 Cb 0.19 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 31.02 1ji8 h LYS 77 CO 0.01 0.00 -1.13 0.39 -2.81 0.00 0.00 179.45 175.91 1ji8 n GLU 78 N -3.82 1.43 0.00 1.90 1.02 -0.76 -4.95 120.64 115.46 1ji8 n GLU 78 Ca 0.12 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 1ji8 n GLU 78 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.73 1ji8 n GLU 78 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ji8 n THR 79 N -0.03 0.00 0.00 2.62 -1.04 -0.92 -5.06 114.28 109.85 1ji8 n THR 79 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1ji8 n THR 79 Cb 0.75 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.26 1ji8 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ji8 n GLY 80 N -1.20 0.93 3.64 3.41 0.00 -1.23 -5.06 105.19 105.68 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 -1.36 0.00 0.00 0.00 173.32 171.96 1ji8 s PHE 81 N -0.19 2.93 -0.17 1.61 0.08 -1.26 -5.11 117.98 115.87 1ji8 s PHE 81 Ca 0.00 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.91 1ji8 s PHE 81 Cb 0.00 -1.56 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 1ji8 s PHE 81 CO 0.00 0.44 0.18 0.45 -0.10 0.00 0.00 175.22 176.18 1ji8 s SER 82 N -1.93 6.30 0.41 1.36 0.15 -1.26 -4.92 113.70 113.81 1ji8 s SER 82 Ca 0.22 0.34 0.10 0.00 0.70 0.00 0.00 55.95 57.31 1ji8 s SER 82 Cb -0.11 -2.11 0.87 0.00 -1.71 0.00 0.00 66.02 62.95 1ji8 s SER 82 CO 0.13 0.20 1.98 0.25 1.20 0.00 0.00 173.24 177.00 1ji8 h LEU 83 N 6.39 0.26 0.52 3.45 5.85 -1.99 -2.29 115.31 127.49 1ji8 h LEU 83 Ca -0.43 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1ji8 h LEU 83 Cb 1.17 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1ji8 h LEU 83 CO 0.73 0.32 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.82 1ji8 h GLU 84 N 0.28 -0.67 -0.23 1.25 4.22 -1.99 -0.84 114.58 116.60 1ji8 h GLU 84 Ca 0.07 0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.60 1ji8 h GLU 84 Cb 0.21 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1ji8 h GLU 84 CO 0.01 -0.37 -0.09 0.87 -2.18 0.00 0.00 179.01 177.25 1ji8 h LYS 85 N -0.92 -0.05 -0.66 1.92 1.79 -1.95 -0.49 116.57 116.21 1ji8 h LYS 85 Ca -0.07 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.48 1ji8 h LYS 85 Cb 0.61 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1ji8 h LYS 85 CO 0.12 -0.03 0.44 0.82 -1.08 0.00 0.00 179.45 179.71 1ji8 h ILE 86 N -0.05 0.95 -0.05 1.86 2.04 -1.40 -1.45 117.51 119.41 1ji8 h ILE 86 Ca 0.12 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1ji8 h ILE 86 Cb 0.23 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1ji8 h ILE 86 CO -0.27 0.11 0.03 0.22 0.00 0.00 0.00 178.15 178.23 1ji8 h TYR 87 N 0.58 0.07 0.00 1.37 3.20 0.41 -0.46 116.97 122.13 1ji8 h TYR 87 Ca 0.30 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1ji8 h TYR 87 Cb 0.40 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1ji8 h TYR 87 CO -0.00 0.13 -0.13 0.37 -1.64 0.00 0.00 178.16 176.89 1ji8 h GLN 88 N -0.01 0.00 0.00 1.82 5.75 -0.80 -2.36 115.11 119.50 1ji8 h GLN 88 Ca 0.02 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.32 1ji8 h GLN 88 Cb 0.09 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 1ji8 h GLN 88 CO -0.00 0.13 -0.92 -0.07 -2.65 0.00 0.00 178.83 175.32 1ji8 h LEU 89 N 0.00 0.00 -9.68 -2.39 3.38 -0.59 -3.46 115.31 102.57 1ji8 h LEU 89 Ca -0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 1ji8 h LEU 89 Cb 0.41 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 1ji8 h LEU 89 CO 0.02 0.92 -0.59 -0.36 0.09 0.00 0.00 178.44 178.52 1ji8 s PHE 90 N -2.82 2.54 -1.31 1.13 0.08 -0.25 -5.03 117.98 112.33 1ji8 s PHE 90 Ca 0.01 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.37 1ji8 s PHE 90 Cb 0.10 -1.67 0.00 0.00 -0.57 0.00 0.00 43.02 40.89 1ji8 s PHE 90 CO 0.81 0.41 2.14 -0.35 -0.10 0.00 0.00 175.22 178.12 1ji8 n PRO 91 N -1.02 2.60 -3.83 0.24 -0.04 -1.26 -4.61 135.00 127.08 1ji8 n PRO 91 Ca -0.04 -2.50 -0.27 0.00 -0.04 0.00 0.00 63.50 60.65 1ji8 n PRO 91 Cb 0.64 -3.24 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1ji8 n PRO 91 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ji8 n SER 92 N 6.65 -4.77 0.00 3.54 2.88 -1.26 -4.83 113.62 115.83 1ji8 n SER 92 Ca 0.51 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1ji8 n SER 92 Cb 0.40 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 1ji8 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ji8 n GLY 93 N -1.70 -1.51 0.06 0.46 0.00 -1.26 -5.02 105.19 96.23 1ji8 n GLY 93 Ca -0.30 0.53 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 0.12 0.00 1.61 -0.04 -1.26 -2.64 135.00 132.79 1ji8 n PRO 94 Ca 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1ji8 n PRO 94 Cb 0.00 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 -1.65 0.00 0.28 0.55 0.00 -1.26 -1.98 120.51 116.45 1ji8 n ALA 95 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 1ji8 n ALA 95 Cb 0.28 0.00 0.85 0.00 0.00 0.00 0.00 19.45 20.57 1ji8 n ALA 95 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ji8 h HIS 96 N 0.00 0.00 0.56 0.00 2.07 -1.95 -3.07 115.15 112.76 1ji8 h HIS 96 Ca 0.00 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1ji8 h HIS 96 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 1ji8 h HIS 96 CO 0.00 0.06 -0.27 0.78 -3.07 0.00 0.00 177.93 175.42 1ji8 h GLY 97 N 0.42 -0.79 -0.04 6.13 0.00 -1.60 -1.58 103.07 105.61 1ji8 h GLY 97 Ca -0.00 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.63 1ji8 h GLY 97 CO 0.01 -0.29 -0.21 0.00 0.00 0.00 0.00 176.54 176.05 1ji8 h ALA 98 N -1.56 -0.63 -0.94 3.60 0.00 -1.31 -1.48 119.26 116.94 1ji8 h ALA 98 Ca -0.08 -0.03 0.25 0.00 0.00 0.00 0.00 54.91 55.05 1ji8 h ALA 98 Cb 0.58 0.72 -0.17 0.00 0.00 0.00 0.00 17.79 18.92 1ji8 h ALA 98 CO 0.13 -0.70 0.03 0.00 0.00 0.00 0.00 179.25 178.70 1ji8 h LYS 100 N 0.04 -0.40 0.00 0.00 1.57 -0.24 0.17 116.57 117.70 1ji8 h LYS 100 Ca 0.55 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 1ji8 h LYS 100 Cb 1.10 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1ji8 h LYS 100 CO -0.86 -0.27 -0.07 0.28 -0.57 0.00 0.00 179.45 177.96 1ji8 h VAL 101 N -0.42 0.65 -0.09 0.50 2.07 -0.29 -2.00 116.25 116.67 1ji8 h VAL 101 Ca 0.08 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.16 1ji8 h VAL 101 Cb 0.54 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1ji8 h VAL 101 CO -0.30 0.07 -0.54 0.00 0.02 0.00 0.00 177.57 176.82 1ji8 h ALA 102 N 1.93 0.91 0.00 1.67 0.00 0.27 -3.43 119.26 120.61 1ji8 h ALA 102 Ca -0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ji8 h ALA 102 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ji8 h ALA 102 CO 0.01 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1ji8 n GLY 103 N 0.14 0.67 3.33 0.00 0.00 -0.66 -5.02 105.19 103.65 1ji8 n GLY 103 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.33 2.78 0.54 4.61 0.00 -1.20 -4.57 121.76 122.58 1ji8 s ALA 104 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1ji8 s ALA 104 Cb 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 1ji8 s ALA 104 CO 0.00 -0.24 1.08 -1.25 0.00 0.00 0.00 175.76 175.35 1ji8 s PRO 105 N 1.16 3.49 0.54 0.00 0.04 -1.26 -4.75 135.00 134.22 1ji8 s PRO 105 Ca 0.02 1.43 -0.18 0.00 0.04 0.00 0.00 61.00 62.31 1ji8 s PRO 105 Cb -0.14 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.24 1ji8 s PRO 105 CO -0.01 -0.70 0.24 0.36 0.04 0.00 0.00 177.00 176.93 1ji8 n LYS 106 N -1.35 0.29 0.00 4.56 2.85 -1.26 -4.96 118.16 118.29 1ji8 n LYS 106 Ca 0.10 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.47 1ji8 n LYS 106 Cb 0.52 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.51 1ji8 n LYS 106 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ji8 n PRO 107 N 0.63 0.00 -3.12 -1.58 -0.04 -1.26 -4.92 135.00 124.71 1ji8 n PRO 107 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 1ji8 n PRO 107 Cb 0.47 -0.18 -0.05 0.00 -0.04 0.00 0.00 33.50 33.70 1ji8 n PRO 107 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1ji8 s THR 108 N -0.00 -0.24 0.00 0.52 2.01 -1.26 -5.11 115.64 111.56 1ji8 s THR 108 Ca 0.00 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.07 1ji8 s THR 108 Cb 0.00 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.80 1ji8 s THR 108 CO 0.00 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 1ji8 n GLY 109 N 2.91 -1.76 2.65 4.40 0.00 -1.26 -4.96 105.19 107.17 1ji8 n GLY 109 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1ji8 n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32