#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x18 s THR 5 N 0.00 1.46 -0.14 2.52 -4.23 -1.26 -4.95 115.64 109.04 2x18 s THR 5 Ca 0.00 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.17 2x18 s THR 5 Cb 0.00 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 2x18 s THR 5 CO 0.00 -0.17 0.96 -0.63 -0.54 0.00 0.00 174.62 174.24 2x18 s ILE 6 N -3.12 4.79 -0.11 2.99 1.01 -1.26 -1.04 121.20 124.46 2x18 s ILE 6 Ca 0.32 1.93 -0.09 0.00 0.00 0.00 0.00 60.65 62.81 2x18 s ILE 6 Cb 0.06 -4.26 -0.27 0.00 0.01 0.00 0.00 42.46 38.00 2x18 s ILE 6 CO 0.13 -0.02 0.43 0.58 0.00 0.00 0.00 174.94 176.06 2x18 h VAL 7 N 5.18 0.73 -2.40 2.92 2.07 -1.15 -3.48 116.25 120.12 2x18 h VAL 7 Ca -0.29 -2.37 -0.08 0.00 0.82 0.00 0.00 66.70 64.78 2x18 h VAL 7 Cb 1.13 2.55 -0.22 0.00 -1.52 0.00 0.00 31.29 33.24 2x18 h VAL 7 CO 0.87 0.84 -0.04 -0.75 0.02 0.00 0.00 177.57 178.51 2x18 s LYS 8 N -2.54 0.72 0.03 1.57 2.20 -1.20 -5.03 119.74 115.49 2x18 s LYS 8 Ca -0.21 0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.96 2x18 s LYS 8 Cb 0.06 0.35 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2x18 s LYS 8 CO 0.77 -0.13 -0.02 -1.83 -0.36 0.00 0.00 175.35 173.78 2x18 s GLU 9 N -0.16 0.40 0.00 4.03 -1.05 -1.26 -0.74 118.70 119.92 2x18 s GLU 9 Ca -0.04 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.02 2x18 s GLU 9 Cb -0.03 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2x18 s GLU 9 CO 0.03 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.58 2x18 n GLY 10 N 1.19 0.53 3.73 -3.83 0.00 -0.43 -5.00 105.19 101.38 2x18 n GLY 10 Ca -0.21 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 2x18 n GLY 10 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2x18 s TRP 11 N -2.00 3.66 0.09 1.61 0.52 -1.26 -1.13 118.94 120.42 2x18 s TRP 11 Ca 0.00 1.65 0.02 0.00 0.02 0.00 0.00 56.10 57.78 2x18 s TRP 11 Cb 0.00 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 2x18 s TRP 11 CO 0.00 -0.39 -0.07 0.14 0.02 0.00 0.00 176.95 176.65 2x18 s VAL 12 N -0.13 0.67 -0.11 4.03 -7.23 0.08 -4.93 120.40 112.78 2x18 s VAL 12 Ca 0.49 -1.88 -0.16 0.00 -1.81 0.00 0.00 61.98 58.61 2x18 s VAL 12 Cb -0.28 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 2x18 s VAL 12 CO 0.33 -0.85 0.41 -1.10 -0.31 0.00 0.00 175.10 173.58 2x18 s GLN 13 N -3.70 4.24 -0.06 4.82 -0.21 -0.44 -1.03 119.66 123.27 2x18 s GLN 13 Ca 0.10 0.34 0.04 0.00 0.02 0.00 0.00 55.36 55.86 2x18 s GLN 13 Cb 0.04 -3.39 -0.00 0.00 1.00 0.00 0.00 33.01 30.66 2x18 s GLN 13 CO -0.05 0.28 -0.19 0.21 -2.12 0.00 0.00 175.29 173.42 2x18 s LYS 14 N 0.27 2.19 0.33 2.91 2.20 0.06 -0.60 119.74 127.10 2x18 s LYS 14 Ca 0.23 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 2x18 s LYS 14 Cb -0.15 -1.79 -0.11 0.00 -1.51 0.00 0.00 37.83 34.27 2x18 s LYS 14 CO 0.09 0.21 1.44 1.03 -0.36 0.00 0.00 175.35 177.76 2x18 s ARG 15 N 0.20 4.21 0.69 4.03 0.52 0.17 -1.21 118.95 127.55 2x18 s ARG 15 Ca -0.10 2.42 -0.16 0.00 -0.52 0.00 0.00 55.73 57.37 2x18 s ARG 15 Cb -0.14 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.31 2x18 s ARG 15 CO 0.04 -0.43 1.23 0.20 0.02 0.00 0.00 175.30 176.37 2x18 s GLY 16 N -0.07 2.56 0.27 -3.53 0.00 0.00 -4.76 107.32 101.79 2x18 s GLY 16 Ca 0.54 1.00 0.07 0.00 0.00 0.00 0.00 44.72 46.33 2x18 s GLY 16 CO 0.55 1.41 1.64 0.83 0.00 0.00 0.00 173.10 177.54 2x18 h GLU 17 N 0.11 0.19 0.00 2.90 4.39 -1.93 -3.38 114.58 116.87 2x18 h GLU 17 Ca -0.49 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.02 2x18 h GLU 17 Cb 1.31 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 2x18 h GLU 17 CO 0.51 0.66 -1.30 0.66 -1.16 0.00 0.00 179.01 178.38 2x18 n TYR 18 N -3.94 0.00 -4.72 4.33 4.01 -1.26 -4.91 117.16 110.66 2x18 n TYR 18 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 2x18 n TYR 18 Cb 0.54 -0.21 -0.13 0.00 -0.31 0.00 0.00 39.34 39.24 2x18 n TYR 18 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2x18 s ILE 19 N -2.11 3.36 0.63 -0.72 1.01 -1.26 -5.02 121.20 117.09 2x18 s ILE 19 Ca -0.05 -0.59 0.36 0.00 0.00 0.00 0.00 60.65 60.36 2x18 s ILE 19 Cb 0.02 -2.38 0.39 0.00 0.01 0.00 0.00 42.46 40.50 2x18 s ILE 19 CO 0.14 0.56 2.27 0.07 0.00 0.00 0.00 174.94 177.98 2x18 h LYS 20 N 5.84 0.00 -7.14 2.79 5.09 -1.96 -2.93 116.57 118.26 2x18 h LYS 20 Ca -0.40 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 59.82 2x18 h LYS 20 Cb 1.18 0.00 0.20 0.00 0.10 0.00 0.00 32.23 33.71 2x18 h LYS 20 CO 0.54 0.00 0.03 0.27 -2.09 0.00 0.00 179.45 178.20 2x18 n ASN 21 N -3.49 -0.21 -4.79 7.07 0.23 -1.26 -3.81 115.26 109.00 2x18 n ASN 21 Ca -0.02 0.41 -0.38 0.00 -0.53 0.00 0.00 54.58 54.05 2x18 n ASN 21 Cb 0.12 -1.41 -0.06 0.00 -2.08 0.00 0.00 39.78 36.35 2x18 n ASN 21 CO 0.00 0.00 0.00 0.26 -0.93 0.00 0.00 177.26 176.59 2x18 s TRP 22 N -2.54 3.68 0.08 -2.53 0.52 -1.26 -0.82 118.94 116.06 2x18 s TRP 22 Ca 0.65 1.06 0.02 0.00 0.02 0.00 0.00 56.10 57.85 2x18 s TRP 22 Cb -0.23 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.59 2x18 s TRP 22 CO 0.60 0.45 -0.08 1.03 0.02 0.00 0.00 176.95 178.97 2x18 s ARG 23 N -0.45 0.72 0.28 4.98 1.81 -0.35 -4.91 118.95 121.03 2x18 s ARG 23 Ca 0.27 -1.09 -0.29 0.00 -1.72 0.00 0.00 55.73 52.89 2x18 s ARG 23 Cb -0.17 -0.30 -0.09 0.00 -0.45 0.00 0.00 34.95 33.93 2x18 s ARG 23 CO 0.14 0.03 1.08 -2.14 -0.68 0.00 0.00 175.30 173.73 2x18 s PRO 24 N -2.81 4.64 -0.01 3.54 0.02 -1.26 -0.76 135.00 138.36 2x18 s PRO 24 Ca 0.03 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.78 2x18 s PRO 24 Cb -0.02 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 2x18 s PRO 24 CO -0.02 0.23 0.06 1.03 -0.33 0.00 0.00 177.00 177.96 2x18 s ARG 25 N -1.46 0.24 -0.30 5.54 1.81 -0.20 -4.78 118.95 119.80 2x18 s ARG 25 Ca 0.45 -0.22 -0.10 0.00 -1.72 0.00 0.00 55.73 54.13 2x18 s ARG 25 Cb -0.31 0.10 -0.02 0.00 -0.45 0.00 0.00 34.95 34.27 2x18 s ARG 25 CO 0.40 -0.05 0.16 -0.47 -0.68 0.00 0.00 175.30 174.66 2x18 s TYR 26 N -0.73 3.18 0.04 -0.53 5.04 -0.12 -0.74 117.35 123.49 2x18 s TYR 26 Ca -0.08 -0.33 0.05 0.00 -2.44 0.00 0.00 57.07 54.26 2x18 s TYR 26 Cb -0.05 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.86 2x18 s TYR 26 CO 0.00 -0.36 -0.07 -0.06 -1.34 0.00 0.00 175.55 173.72 2x18 s PHE 27 N 1.66 2.84 -0.10 4.97 0.40 -0.29 -0.74 117.98 126.73 2x18 s PHE 27 Ca 0.06 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.34 2x18 s PHE 27 Cb -0.17 -1.55 0.01 0.00 0.51 0.00 0.00 43.02 41.83 2x18 s PHE 27 CO 0.08 0.39 -0.19 -0.51 0.70 0.00 0.00 175.22 175.68 2x18 s LEU 28 N -1.73 1.92 -0.21 -0.37 1.02 0.34 -1.32 118.68 118.34 2x18 s LEU 28 Ca 0.19 -0.49 -0.08 0.00 0.02 0.00 0.00 54.13 53.78 2x18 s LEU 28 Cb -0.11 -1.23 -0.04 0.00 0.02 0.00 0.00 46.19 44.83 2x18 s LEU 28 CO 0.10 0.09 0.08 -0.22 0.02 0.00 0.00 176.35 176.43 2x18 s LEU 29 N 0.62 3.78 0.22 1.79 2.96 0.08 -1.00 118.68 127.12 2x18 s LEU 29 Ca -0.14 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2x18 s LEU 29 Cb -0.17 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 2x18 s LEU 29 CO 0.04 0.11 0.05 -0.54 -1.32 0.00 0.00 176.35 174.68 2x18 s LYS 30 N 0.78 2.51 0.66 1.98 1.02 -0.28 -0.56 119.74 125.85 2x18 s LYS 30 Ca 0.04 -1.17 0.39 0.00 0.02 0.00 0.00 55.97 55.24 2x18 s LYS 30 Cb -0.13 -2.36 2.10 0.00 -0.52 0.00 0.00 37.83 36.92 2x18 s LYS 30 CO 0.02 0.42 2.18 1.79 -0.92 0.00 0.00 175.35 178.84 2x18 h THR 31 N 2.06 0.00 -0.16 2.17 1.35 -1.41 -2.10 112.91 114.82 2x18 h THR 31 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2x18 h THR 31 Cb 1.22 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 2x18 h THR 31 CO 0.60 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.97 2x18 n ASP 32 N -2.98 1.22 0.00 5.36 5.68 -1.26 -4.89 116.55 119.67 2x18 n ASP 32 Ca -0.03 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2x18 n ASP 32 Cb 0.19 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2x18 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2x18 n GLY 33 N 0.98 1.05 3.75 6.12 0.00 -0.79 -4.96 105.19 111.34 2x18 n GLY 33 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2x18 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x18 s SER 34 N -3.01 7.08 -0.26 1.61 0.01 -1.26 -0.83 113.70 117.05 2x18 s SER 34 Ca 0.00 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.63 2x18 s SER 34 Cb 0.00 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.68 2x18 s SER 34 CO 0.00 -0.32 0.01 0.12 0.41 0.00 0.00 173.24 173.46 2x18 s PHE 35 N -0.80 2.17 -0.10 2.43 5.36 0.29 -1.13 117.98 126.19 2x18 s PHE 35 Ca 0.48 -1.76 0.02 0.00 -0.96 0.00 0.00 56.93 54.72 2x18 s PHE 35 Cb -0.34 -1.69 -0.01 0.00 -0.34 0.00 0.00 43.02 40.64 2x18 s PHE 35 CO 0.43 -0.79 -0.19 0.42 -1.46 0.00 0.00 175.22 173.63 2x18 s ILE 36 N 1.47 2.56 0.07 3.12 1.01 -0.17 -2.06 121.20 127.20 2x18 s ILE 36 Ca 0.01 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.90 2x18 s ILE 36 Cb -0.18 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 2x18 s ILE 36 CO -0.11 0.55 -0.25 -0.83 0.00 0.00 0.00 174.94 174.30 2x18 s GLY 37 N 0.21 1.38 0.15 6.18 0.00 -0.16 -0.50 107.32 114.58 2x18 s GLY 37 Ca -0.12 -1.28 0.05 0.00 0.00 0.00 0.00 44.72 43.38 2x18 s GLY 37 CO 0.06 -1.21 -0.12 -0.19 0.00 0.00 0.00 173.10 171.64 2x18 s TYR 38 N -0.91 1.38 -0.34 1.90 2.02 0.08 -0.65 117.35 120.84 2x18 s TYR 38 Ca 0.11 -0.66 0.27 0.00 -0.37 0.00 0.00 57.07 56.42 2x18 s TYR 38 Cb -0.10 -0.69 0.96 0.00 -0.40 0.00 0.00 41.96 41.72 2x18 s TYR 38 CO 0.03 0.15 1.79 1.57 -1.57 0.00 0.00 175.55 177.53 2x18 h LYS 39 N 2.96 0.00 -4.19 -0.62 2.10 -1.87 -0.30 116.57 114.66 2x18 h LYS 39 Ca -0.38 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.16 2x18 h LYS 39 Cb 1.20 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.38 2x18 h LYS 39 CO 0.59 0.00 -0.64 -1.21 -2.00 0.00 0.00 179.45 176.19 2x18 s GLU 40 N -3.37 0.64 0.10 0.07 2.02 -1.26 -4.73 118.70 112.17 2x18 s GLU 40 Ca 0.05 -1.19 -0.31 0.00 0.02 0.00 0.00 54.97 53.54 2x18 s GLU 40 Cb 0.09 0.23 -0.10 0.00 0.10 0.00 0.00 34.13 34.45 2x18 s GLU 40 CO 0.53 -0.13 1.88 0.21 0.02 0.00 0.00 175.26 177.77 2x18 s LYS 41 N -3.91 4.14 0.06 1.61 2.20 -1.26 -4.64 119.74 117.94 2x18 s LYS 41 Ca 0.07 2.61 -0.31 0.00 -0.36 0.00 0.00 55.97 57.98 2x18 s LYS 41 Cb 0.08 -3.78 -0.06 0.00 -1.51 0.00 0.00 37.83 32.55 2x18 s LYS 41 CO -0.10 -0.88 1.30 -1.25 -0.36 0.00 0.00 175.35 174.06 2x18 s PRO 42 N 3.31 4.36 0.50 4.03 0.04 -1.26 -4.98 135.00 141.00 2x18 s PRO 42 Ca 0.84 1.90 -0.22 0.00 0.04 0.00 0.00 61.00 63.56 2x18 s PRO 42 Cb -0.45 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 30.66 2x18 s PRO 42 CO 0.38 -0.39 1.22 -0.65 0.04 0.00 0.00 177.00 177.60 2x18 s GLN 43 N 1.40 3.52 0.26 4.56 1.11 -1.26 -4.92 119.66 124.33 2x18 s GLN 43 Ca 0.61 1.89 -0.03 0.00 0.01 0.00 0.00 55.36 57.84 2x18 s GLN 43 Cb -0.32 -2.31 0.54 0.00 -1.01 0.00 0.00 33.01 29.91 2x18 s GLN 43 CO 0.29 -0.78 1.67 -0.44 0.01 0.00 0.00 175.29 176.03 2x18 h ASP 44 N 1.77 -0.02 -0.95 5.90 3.32 -2.02 0.09 116.42 124.50 2x18 h ASP 44 Ca -0.50 0.17 0.24 0.00 0.02 0.00 0.00 57.03 56.96 2x18 h ASP 44 Cb 1.27 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.99 2x18 h ASP 44 CO 0.59 -0.08 0.65 1.62 -1.72 0.00 0.00 179.24 180.29 2x18 h VAL 45 N 0.24 0.58 -0.01 -1.35 3.04 -2.03 -2.77 116.25 113.96 2x18 h VAL 45 Ca 0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 2x18 h VAL 45 Cb 0.83 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2x18 h VAL 45 CO -0.57 0.04 -0.49 0.47 -1.01 0.00 0.00 177.57 176.01 2x18 n ASP 46 N -4.43 1.17 -0.25 3.17 8.00 0.01 -4.40 116.55 119.82 2x18 n ASP 46 Ca 0.21 -0.93 0.17 0.00 0.71 0.00 0.00 54.79 54.95 2x18 n ASP 46 Cb 0.86 0.40 0.48 0.00 -0.02 0.00 0.00 41.12 42.84 2x18 n ASP 46 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2x18 h LEU 47 N 1.05 0.47 0.00 0.64 3.38 -1.41 0.52 115.31 119.96 2x18 h LEU 47 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2x18 h LEU 47 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2x18 h LEU 47 CO 0.00 0.20 0.00 -2.65 0.09 0.00 0.00 178.44 176.08 2x18 n PRO 48 N -4.53 0.15 -2.93 1.13 -0.02 -1.26 -4.16 135.00 123.38 2x18 n PRO 48 Ca 0.19 0.12 -0.30 0.00 -2.02 0.00 0.00 63.50 61.49 2x18 n PRO 48 Cb 0.65 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.60 2x18 n PRO 48 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x18 n TYR 49 N -1.39 3.78 -1.66 6.00 4.02 0.17 -5.08 117.16 122.99 2x18 n TYR 49 Ca 0.08 -3.73 -0.33 0.00 -0.01 0.00 0.00 57.90 53.90 2x18 n TYR 49 Cb 0.20 -0.63 0.06 0.00 -0.02 0.00 0.00 39.34 38.95 2x18 n TYR 49 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2x18 s PRO 50 N -3.54 2.68 0.01 -0.72 0.04 -1.26 -4.98 135.00 127.24 2x18 s PRO 50 Ca 0.46 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.73 2x18 s PRO 50 Cb 0.25 -1.94 -0.35 0.00 0.04 0.00 0.00 34.50 32.50 2x18 s PRO 50 CO -0.12 -1.34 0.94 -0.07 0.04 0.00 0.00 177.00 176.44 2x18 h LEU 51 N -0.16 0.81 -8.58 -3.56 3.38 -1.25 -3.47 115.31 102.48 2x18 h LEU 51 Ca -0.46 -0.92 -0.68 0.00 0.09 0.00 0.00 57.88 55.90 2x18 h LEU 51 Cb 1.25 -0.26 -0.30 0.00 0.09 0.00 0.00 40.66 41.43 2x18 h LEU 51 CO 0.53 1.72 -0.88 0.20 0.09 0.00 0.00 178.44 180.10 2x18 s ASN 52 N -7.53 2.94 -0.28 -0.43 -0.87 -0.69 -4.98 114.94 103.11 2x18 s ASN 52 Ca -0.10 -0.45 0.01 0.00 -1.57 0.00 0.00 52.86 50.74 2x18 s ASN 52 Cb 0.04 -0.34 0.17 0.00 -0.02 0.00 0.00 41.25 41.10 2x18 s ASN 52 CO 0.93 0.31 0.47 0.21 -2.57 0.00 0.00 177.10 176.45 2x18 s ASN 53 N -0.58 -0.36 0.18 -1.22 3.84 -1.26 -0.99 114.94 114.56 2x18 s ASN 53 Ca 0.09 0.14 -0.04 0.00 0.21 0.00 0.00 52.86 53.26 2x18 s ASN 53 Cb -0.10 1.48 -0.03 0.00 -0.55 0.00 0.00 41.25 42.05 2x18 s ASN 53 CO -0.01 -0.31 0.19 0.72 -2.79 0.00 0.00 177.10 174.90 2x18 s PHE 54 N 2.66 0.83 -0.09 0.43 -0.12 -0.87 -5.00 117.98 115.81 2x18 s PHE 54 Ca 0.13 -1.13 -0.04 0.00 -0.05 0.00 0.00 56.93 55.84 2x18 s PHE 54 Cb -0.13 -0.33 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2x18 s PHE 54 CO -0.23 -0.68 0.08 0.45 -0.05 0.00 0.00 175.22 174.78 2x18 s SER 55 N -3.08 5.82 0.00 1.98 0.15 -1.26 -0.55 113.70 116.76 2x18 s SER 55 Ca 0.29 0.29 0.21 0.00 0.70 0.00 0.00 55.95 57.44 2x18 s SER 55 Cb 0.05 -1.76 0.53 0.00 -1.71 0.00 0.00 66.02 63.13 2x18 s SER 55 CO 0.07 0.38 1.45 1.33 1.20 0.00 0.00 173.24 177.67 2x18 n VAL 56 N 1.94 0.64 -1.64 4.45 0.24 -0.01 -4.95 118.33 118.99 2x18 n VAL 56 Ca -0.18 -0.74 -0.47 0.00 -2.04 0.00 0.00 64.34 60.91 2x18 n VAL 56 Cb 0.54 0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 33.47 2x18 n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x18 n ALA 57 N 1.25 0.59 -2.41 2.33 0.00 -1.26 -1.85 120.51 119.16 2x18 n ALA 57 Ca 0.20 0.44 -0.17 0.00 0.00 0.00 0.00 53.44 53.91 2x18 n ALA 57 Cb 0.53 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 2x18 n ALA 57 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2x18 n LYS 58 N 2.34 -1.92 -1.61 0.00 5.02 -1.26 -4.97 118.16 115.77 2x18 n LYS 58 Ca 0.14 0.84 -0.31 0.00 -2.02 0.00 0.00 58.31 56.96 2x18 n LYS 58 Cb 0.28 -5.47 0.05 0.00 -0.02 0.00 0.00 35.03 29.87 2x18 n LYS 58 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x18 s GLN 60 N -5.08 2.40 -0.01 0.00 -1.52 0.18 -4.96 119.66 110.66 2x18 s GLN 60 Ca 0.58 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 53.22 2x18 s GLN 60 Cb -0.14 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.23 2x18 s GLN 60 CO 0.55 0.57 -0.17 -0.51 -0.25 0.00 0.00 175.29 175.48 2x18 s LEU 61 N -1.59 2.03 0.01 2.90 1.43 -1.26 -0.87 118.68 121.33 2x18 s LEU 61 Ca 0.18 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2x18 s LEU 61 Cb -0.11 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2x18 s LEU 61 CO 0.09 0.21 -0.09 -0.04 0.23 0.00 0.00 176.35 176.75 2x18 s MET 62 N -0.39 0.67 -0.09 1.70 -1.94 -0.54 -4.98 119.30 113.73 2x18 s MET 62 Ca 0.06 -0.47 0.03 0.00 -1.71 0.00 0.00 55.69 53.61 2x18 s MET 62 Cb -0.07 -0.62 -0.01 0.00 2.01 0.00 0.00 34.83 36.14 2x18 s MET 62 CO -0.01 0.16 -0.18 0.15 -0.01 0.00 0.00 175.02 175.14 2x18 s LYS 63 N -0.64 2.95 0.14 2.03 1.02 -1.26 -0.35 119.74 123.63 2x18 s LYS 63 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 2x18 s LYS 63 Cb -0.05 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2x18 s LYS 63 CO 0.00 0.34 0.09 0.95 -0.92 0.00 0.00 175.35 175.81 2x18 s THR 64 N -0.01 0.10 0.00 2.17 -4.23 -0.75 -5.02 115.64 107.89 2x18 s THR 64 Ca -0.05 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2x18 s THR 64 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2x18 s THR 64 CO 0.05 -0.44 0.58 -0.62 -0.54 0.00 0.00 174.62 173.65 2x18 n GLU 65 N -0.11 -0.27 -3.88 3.99 -0.58 -1.26 -1.81 120.64 116.72 2x18 n GLU 65 Ca -0.06 -0.67 -0.13 0.00 -0.42 0.00 0.00 57.16 55.89 2x18 n GLU 65 Cb 0.64 -0.99 -0.14 0.00 -0.57 0.00 0.00 31.44 30.37 2x18 n GLU 65 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2x18 s ARG 66 N -0.18 0.02 0.48 3.49 1.81 -1.26 -2.61 118.95 120.70 2x18 s ARG 66 Ca 0.00 0.01 0.27 0.00 -1.72 0.00 0.00 55.73 54.28 2x18 s ARG 66 Cb 0.00 -0.05 1.13 0.00 -0.45 0.00 0.00 34.95 35.58 2x18 s ARG 66 CO 0.00 -0.01 1.91 -1.00 -0.68 0.00 0.00 175.30 175.52 2x18 h PRO 67 N 6.26 0.00 -5.82 3.54 0.13 -2.04 -3.49 132.00 130.58 2x18 h PRO 67 Ca -0.26 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.20 2x18 h PRO 67 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2x18 h PRO 67 CO 0.51 0.17 -0.71 0.15 -0.23 0.00 0.00 178.00 177.89 2x18 s LYS 68 N -3.78 3.06 0.74 0.86 -0.14 -1.25 -5.10 119.74 114.13 2x18 s LYS 68 Ca -0.00 -0.58 -0.15 0.00 -1.36 0.00 0.00 55.97 53.88 2x18 s LYS 68 Cb 0.11 -2.66 0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2x18 s LYS 68 CO 0.61 0.49 1.12 -2.30 -0.76 0.00 0.00 175.35 174.50 2x18 n PRO 69 N 2.76 0.52 -3.43 -1.68 -0.02 -1.07 -3.65 135.00 128.44 2x18 n PRO 69 Ca -0.18 0.24 -0.20 0.00 -2.02 0.00 0.00 63.50 61.34 2x18 n PRO 69 Cb 0.53 -2.37 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 2x18 n PRO 69 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2x18 n ASN 70 N -2.29 -5.41 -4.85 2.55 3.02 -1.24 -4.53 115.26 102.51 2x18 n ASN 70 Ca 0.14 -0.47 -0.37 0.00 -0.03 0.00 0.00 54.58 53.84 2x18 n ASN 70 Cb 0.49 -4.42 -0.06 0.00 -0.61 0.00 0.00 39.78 35.18 2x18 n ASN 70 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2x18 s THR 71 N -3.28 5.12 0.09 3.41 2.01 -0.75 -2.17 115.64 120.07 2x18 s THR 71 Ca 0.46 0.65 0.08 0.00 0.31 0.00 0.00 61.69 63.19 2x18 s THR 71 Cb -0.20 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 2x18 s THR 71 CO 0.63 0.53 -0.20 0.72 -0.69 0.00 0.00 174.62 175.61 2x18 s PHE 72 N -1.14 1.71 -0.06 4.92 -0.12 0.17 -1.82 117.98 121.65 2x18 s PHE 72 Ca 0.24 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 2x18 s PHE 72 Cb -0.15 -0.95 0.01 0.00 -0.63 0.00 0.00 43.02 41.30 2x18 s PHE 72 CO 0.13 0.17 -0.12 0.42 -0.05 0.00 0.00 175.22 175.77 2x18 s ILE 73 N -1.12 1.13 -0.11 -4.49 1.01 0.53 -0.92 121.20 117.22 2x18 s ILE 73 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2x18 s ILE 73 Cb -0.10 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2x18 s ILE 73 CO 0.04 0.35 -0.05 -0.63 0.00 0.00 0.00 174.94 174.65 2x18 s ILE 74 N 0.66 3.81 -0.04 2.92 1.01 0.07 -1.46 121.20 128.17 2x18 s ILE 74 Ca -0.14 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.11 2x18 s ILE 74 Cb -0.16 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.71 2x18 s ILE 74 CO 0.04 0.55 -0.08 -0.13 0.00 0.00 0.00 174.94 175.32 2x18 s ARG 75 N -0.22 1.01 0.05 2.79 0.52 -0.05 -1.05 118.95 122.00 2x18 s ARG 75 Ca 0.03 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2x18 s ARG 75 Cb -0.13 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 2x18 s ARG 75 CO 0.02 0.02 -0.14 0.00 0.02 0.00 0.00 175.30 175.22 2x18 h LEU 77 N 4.64 0.89 -0.42 0.00 5.85 -1.93 -2.22 115.31 122.13 2x18 h LEU 77 Ca -0.39 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2x18 h LEU 77 Cb 1.18 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2x18 h LEU 77 CO 0.42 0.51 0.00 0.00 -0.34 0.00 0.00 178.44 179.03 2x18 n GLN 78 N -4.62 1.28 -2.18 1.25 0.00 -1.26 -4.47 117.38 107.38 2x18 n GLN 78 Ca 0.16 -0.41 -0.42 0.00 0.00 0.00 0.00 57.00 56.32 2x18 n GLN 78 Cb 0.28 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 29.10 2x18 n GLN 78 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2x18 n TRP 79 N -0.44 3.07 0.97 2.61 8.01 -0.84 -4.80 117.44 126.02 2x18 n TRP 79 Ca 0.19 -2.83 0.13 0.00 -1.31 0.00 0.00 57.50 53.68 2x18 n TRP 79 Cb 0.19 -2.10 0.47 0.00 -2.01 0.00 0.00 31.31 27.87 2x18 n TRP 79 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 2x18 n THR 80 N 3.76 0.04 -0.08 -0.99 -2.24 -1.26 -0.58 114.28 112.93 2x18 n THR 80 Ca 0.43 -0.02 -0.11 0.00 -2.27 0.00 0.00 64.05 62.08 2x18 n THR 80 Cb 0.37 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.29 2x18 n THR 80 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2x18 h THR 81 N 0.00 0.39 0.00 4.28 2.02 -1.98 -3.41 112.91 114.21 2x18 h THR 81 Ca 0.00 -1.47 -0.13 0.00 0.77 0.00 0.00 66.41 65.58 2x18 h THR 81 Cb 0.52 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2x18 h THR 81 CO 0.00 0.13 -0.82 -0.37 0.37 0.00 0.00 175.52 174.83 2x18 h VAL 82 N -1.00 0.79 0.00 3.16 -1.51 -1.91 -3.47 116.25 112.30 2x18 h VAL 82 Ca -0.13 -2.20 0.00 0.00 -1.23 0.00 0.00 66.70 63.14 2x18 h VAL 82 Cb 0.78 2.32 0.00 0.00 -2.13 0.00 0.00 31.29 32.25 2x18 h VAL 82 CO -0.08 0.45 0.00 -0.38 -1.23 0.00 0.00 177.57 176.33 2x18 n ILE 83 N -3.12 0.00 -3.75 7.19 -0.00 0.25 -4.74 119.36 115.18 2x18 n ILE 83 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.62 2x18 n ILE 83 Cb 0.78 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.34 2x18 n ILE 83 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2x18 s GLU 84 N 0.00 0.81 -0.06 0.38 -1.05 -1.26 -4.31 118.70 113.21 2x18 s GLU 84 Ca 0.00 -0.50 0.05 0.00 -0.15 0.00 0.00 54.97 54.38 2x18 s GLU 84 Cb 0.00 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 2x18 s GLU 84 CO 0.00 -0.26 -0.22 1.03 0.95 0.00 0.00 175.26 176.77 2x18 s ARG 85 N -2.51 2.58 -0.06 -4.83 0.52 -0.21 -4.97 118.95 109.47 2x18 s ARG 85 Ca -0.05 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.35 2x18 s ARG 85 Cb -0.01 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.22 2x18 s ARG 85 CO -0.03 0.43 -0.18 0.99 0.02 0.00 0.00 175.30 176.53 2x18 s THR 86 N -0.27 1.50 0.05 0.02 2.01 -1.26 -0.75 115.64 116.95 2x18 s THR 86 Ca 0.00 -0.73 0.04 0.00 0.31 0.00 0.00 61.69 61.31 2x18 s THR 86 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2x18 s THR 86 CO 0.03 0.43 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.92 2x18 s PHE 87 N 0.22 0.94 0.02 4.92 0.08 -0.10 -0.66 117.98 123.40 2x18 s PHE 87 Ca -0.09 -0.47 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 2x18 s PHE 87 Cb -0.14 -0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 41.75 2x18 s PHE 87 CO 0.04 -0.01 -0.01 -3.38 -0.10 0.00 0.00 175.22 171.76 2x18 s HIS 88 N -1.28 0.21 0.38 0.36 -3.43 0.23 -0.66 115.29 111.10 2x18 s HIS 88 Ca -0.06 -0.44 0.04 0.00 -0.80 0.00 0.00 55.06 53.80 2x18 s HIS 88 Cb -0.10 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.85 2x18 s HIS 88 CO 0.01 -0.19 0.09 0.14 -2.00 0.00 0.00 174.74 172.79 2x18 s VAL 89 N -1.35 0.90 -0.45 -5.38 -7.23 -0.92 -1.32 120.40 104.64 2x18 s VAL 89 Ca -0.15 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.26 2x18 s VAL 89 Cb -0.09 -2.52 0.20 0.00 0.56 0.00 0.00 36.38 34.53 2x18 s VAL 89 CO -0.01 0.00 1.44 -0.78 -0.31 0.00 0.00 175.10 175.44 2x18 h ASP 90 N 1.89 0.00 -4.73 4.85 3.58 -1.91 -3.43 116.42 116.67 2x18 h ASP 90 Ca -0.38 -0.03 -0.23 0.00 0.42 0.00 0.00 57.03 56.80 2x18 h ASP 90 Cb 1.26 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.14 2x18 h ASP 90 CO 0.64 0.01 -0.71 0.42 -2.88 0.00 0.00 179.24 176.72 2x18 s THR 91 N -3.23 0.58 0.34 2.25 -4.23 -1.26 -5.03 115.64 105.06 2x18 s THR 91 Ca 0.05 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 59.08 2x18 s THR 91 Cb 0.09 -1.19 0.12 0.00 1.34 0.00 0.00 72.50 72.86 2x18 s THR 91 CO 0.70 -0.67 1.84 1.55 -0.54 0.00 0.00 174.62 177.49 2x18 h PRO 92 N 3.65 0.35 -0.64 3.99 0.13 -1.94 -2.63 132.00 134.90 2x18 h PRO 92 Ca -0.35 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2x18 h PRO 92 Cb 1.18 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 2x18 h PRO 92 CO 0.54 0.51 0.28 0.93 -0.23 0.00 0.00 178.00 180.04 2x18 h GLU 93 N 0.32 0.95 -0.71 0.86 3.07 -1.99 -1.34 114.58 115.73 2x18 h GLU 93 Ca 0.06 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.71 2x18 h GLU 93 Cb 0.49 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 2x18 h GLU 93 CO 0.03 0.78 0.23 1.49 -1.40 0.00 0.00 179.01 180.14 2x18 h GLU 94 N 0.90 1.09 -0.56 2.33 4.57 -1.95 -1.71 114.58 119.25 2x18 h GLU 94 Ca 0.22 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2x18 h GLU 94 Cb 0.16 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2x18 h GLU 94 CO -0.02 0.94 0.35 -0.09 -1.18 0.00 0.00 179.01 179.00 2x18 h ARG 95 N 1.04 0.76 -0.35 1.92 2.43 -1.11 -2.38 114.38 116.68 2x18 h ARG 95 Ca 0.23 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.22 2x18 h ARG 95 Cb 0.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2x18 h ARG 95 CO -0.01 0.54 -0.25 1.49 -1.51 0.00 0.00 179.97 180.23 2x18 h GLU 96 N 0.76 0.71 -0.51 0.20 4.57 -1.01 -1.21 114.58 118.09 2x18 h GLU 96 Ca 0.20 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 58.17 2x18 h GLU 96 Cb -0.03 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.46 2x18 h GLU 96 CO -0.04 0.89 0.14 0.93 -1.18 0.00 0.00 179.01 179.75 2x18 h GLU 97 N 0.62 0.28 -0.10 1.92 5.08 -1.00 0.13 114.58 121.51 2x18 h GLU 97 Ca 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2x18 h GLU 97 Cb 0.74 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2x18 h GLU 97 CO 0.06 0.19 0.01 -1.49 -1.00 0.00 0.00 179.01 176.77 2x18 h TRP 98 N 0.29 0.18 -0.19 4.33 4.06 -0.91 -0.43 115.95 123.29 2x18 h TRP 98 Ca 0.26 -0.03 -0.12 0.00 2.06 0.00 0.00 58.89 61.06 2x18 h TRP 98 Cb 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.42 2x18 h TRP 98 CO -0.20 0.40 -0.39 1.79 -3.56 0.00 0.00 178.44 176.48 2x18 h THR 99 N -0.09 1.30 -0.15 1.49 1.35 -1.05 0.06 112.91 115.83 2x18 h THR 99 Ca 0.03 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 2x18 h THR 99 Cb 0.32 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2x18 h THR 99 CO 0.00 0.47 0.10 -0.33 -0.25 0.00 0.00 175.52 175.51 2x18 h GLU 100 N 0.35 0.20 -0.37 4.72 5.08 -0.72 -2.18 114.58 121.66 2x18 h GLU 100 Ca 0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2x18 h GLU 100 Cb 0.84 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 2x18 h GLU 100 CO 0.07 0.16 0.15 0.00 -1.00 0.00 0.00 179.01 178.38 2x18 h ALA 101 N 1.04 0.48 0.12 3.43 0.00 -0.79 -0.13 119.26 123.41 2x18 h ALA 101 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x18 h ALA 101 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2x18 h ALA 101 CO -0.01 0.08 -0.12 0.82 0.00 0.00 0.00 179.25 180.02 2x18 h ILE 102 N 0.45 0.73 -0.62 0.00 2.04 -1.02 -1.17 117.51 117.92 2x18 h ILE 102 Ca 0.12 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 2x18 h ILE 102 Cb 0.19 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2x18 h ILE 102 CO -0.01 0.00 0.19 -0.61 0.00 0.00 0.00 178.15 177.72 2x18 h GLN 103 N -0.26 0.94 -0.81 2.37 5.75 -1.15 -1.28 115.11 120.67 2x18 h GLN 103 Ca 0.00 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 2x18 h GLN 103 Cb 0.25 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 2x18 h GLN 103 CO -0.03 0.81 0.42 0.00 -2.65 0.00 0.00 178.83 177.38 2x18 h ALA 104 N 1.29 1.04 -0.10 3.38 0.00 -0.71 0.14 119.26 124.30 2x18 h ALA 104 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2x18 h ALA 104 Cb 0.27 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2x18 h ALA 104 CO -0.01 0.57 0.03 0.28 0.00 0.00 0.00 179.25 180.13 2x18 h VAL 105 N 1.13 1.18 -0.84 0.00 2.07 -0.98 -2.06 116.25 116.75 2x18 h VAL 105 Ca 0.28 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.31 2x18 h VAL 105 Cb 0.07 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2x18 h VAL 105 CO -0.04 0.16 0.52 0.00 0.02 0.00 0.00 177.57 178.23 2x18 h ALA 106 N 0.84 1.13 -0.51 1.67 0.00 -0.89 -1.62 119.26 119.88 2x18 h ALA 106 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2x18 h ALA 106 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2x18 h ALA 106 CO -0.00 0.29 -0.05 -0.44 0.00 0.00 0.00 179.25 179.05 2x18 h ASP 107 N 0.98 0.89 -0.60 0.00 3.32 -0.59 -2.14 116.42 118.28 2x18 h ASP 107 Ca 0.35 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2x18 h ASP 107 Cb 0.11 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2x18 h ASP 107 CO -0.15 0.98 0.13 0.03 -1.72 0.00 0.00 179.24 178.51 2x18 h ARG 108 N 0.83 1.00 -0.54 3.56 3.08 -0.87 -1.43 114.38 120.01 2x18 h ARG 108 Ca 0.14 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 2x18 h ARG 108 Cb 0.57 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2x18 h ARG 108 CO 0.03 0.91 0.11 -0.07 -1.07 0.00 0.00 179.97 179.88 2x18 h LEU 109 N 0.95 0.78 -0.46 3.04 3.38 -0.91 0.04 115.31 122.13 2x18 h LEU 109 Ca 0.20 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2x18 h LEU 109 Cb 0.37 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2x18 h LEU 109 CO 0.01 0.78 -0.50 -0.61 0.09 0.00 0.00 178.44 178.20 2x18 h GLN 110 N 0.80 0.71 0.00 1.13 5.75 -0.97 -2.92 115.11 119.61 2x18 h GLN 110 Ca 0.17 -0.42 -0.11 0.00 -0.15 0.00 0.00 58.65 58.14 2x18 h GLN 110 Cb 0.32 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 2x18 h GLN 110 CO 0.00 1.04 -0.53 0.00 -2.65 0.00 0.00 178.83 176.69 2x18 h ARG 111 N 0.55 0.00 -0.09 1.69 2.47 -1.08 -2.86 114.38 115.06 2x18 h ARG 111 Ca 0.02 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2x18 h ARG 111 Cb 1.07 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.38 2x18 h ARG 111 CO 0.10 0.53 -0.14 1.96 0.56 0.00 0.00 179.97 182.99 2x18 h GLN 112 N 0.00 0.14 0.19 0.04 4.20 -0.80 -2.99 115.11 115.89 2x18 h GLN 112 Ca -0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2x18 h GLN 112 Cb 0.95 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2x18 h GLN 112 CO 0.07 0.29 -0.09 0.93 -0.67 0.00 0.00 178.83 179.35 2x18 h GLU 113 N 0.14 -0.25 0.00 1.46 3.07 -1.41 -3.51 114.58 114.08 2x18 h GLU 113 Ca 0.03 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2x18 h GLU 113 Cb 0.33 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 2x18 h GLU 113 CO 0.02 0.15 0.00 0.39 -1.40 0.00 0.00 179.01 178.17