#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 0.28 -0.12 2.52 -4.23 -1.26 -4.94 115.64 107.89 2x18 s THR 5 Ca 0.00 -1.99 -0.23 0.00 -1.18 0.00 0.00 61.69 58.29 2x18 s THR 5 Cb 0.00 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.34 2x18 s THR 5 CO 0.00 -0.09 0.71 -0.63 -0.54 0.00 0.00 174.62 174.08 2x18 s ILE 6 N -3.95 5.00 -0.15 2.99 1.01 -1.26 -1.17 121.20 123.68 2x18 s ILE 6 Ca 0.36 1.43 -0.11 0.00 0.00 0.00 0.00 60.65 62.33 2x18 s ILE 6 Cb 0.07 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 38.26 2x18 s ILE 6 CO 0.11 0.17 0.31 0.52 0.00 0.00 0.00 174.94 176.05 2x18 n VAL 7 N 4.19 1.71 -3.67 2.92 0.31 0.31 -4.96 118.33 119.14 2x18 n VAL 7 Ca 0.00 -0.48 -0.14 0.00 -0.01 0.00 0.00 64.34 63.71 2x18 n VAL 7 Cb 0.50 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.53 2x18 n VAL 7 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2x18 s LYS 8 N -2.50 0.73 0.02 5.55 2.20 -1.21 -5.03 119.74 119.49 2x18 s LYS 8 Ca -0.24 0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2x18 s LYS 8 Cb 0.06 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.72 2x18 s LYS 8 CO 0.72 -0.16 0.03 -1.83 -0.36 0.00 0.00 175.35 173.75 2x18 s GLU 9 N -0.48 0.41 0.00 4.03 -1.05 -1.26 -0.86 118.70 119.49 2x18 s GLU 9 Ca -0.06 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.15 2x18 s GLU 9 Cb -0.03 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2x18 s GLU 9 CO 0.04 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.57 2x18 n GLY 10 N 1.36 1.08 3.73 -3.83 0.00 -0.31 -4.99 105.19 102.23 2x18 n GLY 10 Ca -0.22 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 3.69 0.12 1.61 0.52 -1.26 -1.26 118.94 120.36 2x18 s TRP 11 Ca 0.00 1.68 0.03 0.00 0.02 0.00 0.00 56.10 57.83 2x18 s TRP 11 Cb 0.00 -3.16 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 2x18 s TRP 11 CO 0.00 -0.19 -0.08 0.14 0.02 0.00 0.00 176.95 176.84 2x18 s VAL 12 N 0.26 0.89 -0.01 4.03 -7.23 -0.15 -4.95 120.40 113.24 2x18 s VAL 12 Ca 0.50 -1.97 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 2x18 s VAL 12 Cb -0.25 -1.73 -0.06 0.00 0.56 0.00 0.00 36.38 34.91 2x18 s VAL 12 CO 0.31 -0.81 0.40 -1.10 -0.31 0.00 0.00 175.10 173.59 2x18 s GLN 13 N -3.75 3.95 -0.02 4.82 -1.52 -0.32 -0.91 119.66 121.91 2x18 s GLN 13 Ca 0.13 0.40 0.02 0.00 -1.95 0.00 0.00 55.36 53.96 2x18 s GLN 13 Cb 0.04 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 2x18 s GLN 13 CO -0.02 0.65 -0.08 0.21 -0.25 0.00 0.00 175.29 175.80 2x18 s LYS 14 N -0.93 0.78 0.40 2.91 2.20 -0.14 -0.67 119.74 124.29 2x18 s LYS 14 Ca 0.23 -0.26 -0.25 0.00 -0.36 0.00 0.00 55.97 55.33 2x18 s LYS 14 Cb -0.16 -0.75 -0.08 0.00 -1.51 0.00 0.00 37.83 35.32 2x18 s LYS 14 CO 0.13 0.11 1.14 1.03 -0.36 0.00 0.00 175.35 177.40 2x18 s ARG 15 N 0.13 4.09 0.80 4.03 0.52 -0.16 -1.36 118.95 126.98 2x18 s ARG 15 Ca -0.02 1.78 -0.10 0.00 -0.52 0.00 0.00 55.73 56.86 2x18 s ARG 15 Cb -0.07 -2.66 0.07 0.00 0.52 0.00 0.00 34.95 32.81 2x18 s ARG 15 CO 0.00 -0.27 1.10 0.20 0.02 0.00 0.00 175.30 176.34 2x18 s GLY 16 N -1.21 1.67 0.15 -3.53 0.00 -0.85 -4.74 107.32 98.81 2x18 s GLY 16 Ca 0.57 0.29 -0.03 0.00 0.00 0.00 0.00 44.72 45.55 2x18 s GLY 16 CO 0.36 0.65 1.35 0.83 0.00 0.00 0.00 173.10 176.30 2x18 h GLU 17 N -1.25 0.40 0.00 2.90 4.39 -1.94 -3.39 114.58 115.69 2x18 h GLU 17 Ca -0.44 -0.39 -0.17 0.00 0.34 0.00 0.00 59.36 58.70 2x18 h GLU 17 Cb 1.24 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 2x18 h GLU 17 CO 0.50 1.05 -1.66 0.66 -1.16 0.00 0.00 179.01 178.40 2x18 n TYR 18 N -3.78 0.00 -4.77 4.33 4.01 -1.26 -4.97 117.16 110.72 2x18 n TYR 18 Ca -0.06 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.36 2x18 n TYR 18 Cb 0.79 -0.45 -0.15 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.23 2.66 -1.22 -0.72 1.01 -1.26 -5.04 121.20 114.39 2x18 s ILE 19 Ca -0.16 -0.79 0.22 0.00 0.00 0.00 0.00 60.65 59.92 2x18 s ILE 19 Cb 0.04 -2.10 0.29 0.00 0.01 0.00 0.00 42.46 40.70 2x18 s ILE 19 CO 0.27 0.53 1.71 0.29 0.00 0.00 0.00 174.94 177.73 2x18 n LYS 20 N 3.75 0.16 -1.55 2.79 5.02 -1.26 -2.15 118.16 124.92 2x18 n LYS 20 Ca -0.19 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2x18 n LYS 20 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2x18 n LYS 20 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2x18 n ASN 21 N -1.39 0.53 -4.75 4.39 4.13 -1.26 -3.83 115.26 113.08 2x18 n ASN 21 Ca 0.08 1.03 -0.41 0.00 1.68 0.00 0.00 54.58 56.96 2x18 n ASN 21 Cb 0.21 -1.25 -0.03 0.00 -1.54 0.00 0.00 39.78 37.17 2x18 n ASN 21 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2x18 s TRP 22 N -1.28 3.39 0.01 3.10 0.52 -1.26 -2.01 118.94 121.41 2x18 s TRP 22 Ca 0.63 1.48 0.01 0.00 0.02 0.00 0.00 56.10 58.23 2x18 s TRP 22 Cb -0.61 -3.45 -0.01 0.00 -1.15 0.00 0.00 33.47 28.25 2x18 s TRP 22 CO 0.58 -1.19 -0.03 1.03 0.02 0.00 0.00 176.95 177.36 2x18 s ARG 23 N -0.84 0.24 0.29 4.98 3.00 -0.47 -4.91 118.95 121.24 2x18 s ARG 23 Ca 0.50 -0.34 -0.29 0.00 0.00 0.00 0.00 55.73 55.60 2x18 s ARG 23 Cb -0.34 -0.07 -0.10 0.00 0.00 0.00 0.00 34.95 34.45 2x18 s ARG 23 CO 0.41 0.01 1.14 -1.25 0.00 0.00 0.00 175.30 175.60 2x18 s PRO 24 N -0.72 4.59 -0.05 3.54 0.04 -1.26 -0.96 135.00 140.17 2x18 s PRO 24 Ca -0.06 1.88 -0.10 0.00 0.04 0.00 0.00 61.00 62.76 2x18 s PRO 24 Cb -0.05 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.34 2x18 s PRO 24 CO -0.00 0.13 0.24 1.03 0.04 0.00 0.00 177.00 178.44 2x18 s ARG 25 N -1.50 0.42 -0.34 4.56 1.81 -0.09 -4.91 118.95 118.90 2x18 s ARG 25 Ca 0.45 0.05 -0.12 0.00 -1.72 0.00 0.00 55.73 54.39 2x18 s ARG 25 Cb -0.33 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.34 2x18 s ARG 25 CO 0.43 -0.09 0.23 -0.47 -0.68 0.00 0.00 175.30 174.73 2x18 s TYR 26 N -0.55 3.22 0.05 -0.53 5.04 -0.03 -0.98 117.35 123.57 2x18 s TYR 26 Ca -0.07 -0.24 0.05 0.00 -2.44 0.00 0.00 57.07 54.37 2x18 s TYR 26 Cb -0.04 -2.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.77 2x18 s TYR 26 CO 0.02 -0.37 -0.07 -0.06 -1.34 0.00 0.00 175.55 173.73 2x18 s PHE 27 N 1.71 2.85 -0.13 4.97 0.40 -0.39 -0.52 117.98 126.88 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 -1.54 0.01 0.00 0.51 0.00 0.00 43.02 41.82 2x18 s PHE 27 CO 0.10 0.40 -0.22 -0.51 0.70 0.00 0.00 175.22 175.69 2x18 s LEU 28 N -1.77 2.09 -0.24 -0.37 1.02 0.03 -1.16 118.68 118.27 2x18 s LEU 28 Ca 0.20 -0.58 -0.09 0.00 0.02 0.00 0.00 54.13 53.67 2x18 s LEU 28 Cb -0.11 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.64 2x18 s LEU 28 CO 0.11 0.10 0.11 -0.22 0.02 0.00 0.00 176.35 176.47 2x18 s LEU 29 N 0.68 3.79 0.26 1.79 2.96 -0.04 -1.19 118.68 126.93 2x18 s LEU 29 Ca -0.11 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.85 2x18 s LEU 29 Cb -0.16 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.48 2x18 s LEU 29 CO 0.01 0.03 0.13 -0.54 -1.32 0.00 0.00 176.35 174.66 2x18 s LYS 30 N 1.28 2.71 0.61 1.98 1.02 -0.37 -0.53 119.74 126.43 2x18 s LYS 30 Ca 0.06 -1.18 0.38 0.00 0.02 0.00 0.00 55.97 55.25 2x18 s LYS 30 Cb -0.14 -2.43 1.94 0.00 -0.52 0.00 0.00 37.83 36.67 2x18 s LYS 30 CO 0.05 0.38 2.20 1.79 -0.92 0.00 0.00 175.35 178.85 2x18 h THR 31 N 1.61 0.10 -0.01 2.17 1.35 -1.47 -1.32 112.91 115.34 2x18 h THR 31 Ca -0.47 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2x18 h THR 31 Cb 1.24 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2x18 h THR 31 CO 0.61 0.02 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 2x18 n ASP 32 N -3.19 0.16 0.00 5.36 5.75 -1.26 -4.85 116.55 118.51 2x18 n ASP 32 Ca -0.02 -1.41 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 2x18 n ASP 32 Cb 0.17 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2x18 n ASP 32 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2x18 n GLY 33 N 0.84 0.86 3.76 6.12 0.00 -0.50 -4.94 105.19 111.34 2x18 n GLY 33 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2x18 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2x18 s SER 34 N -2.97 6.99 -0.25 1.61 1.04 -1.25 -1.05 113.70 117.81 2x18 s SER 34 Ca 0.00 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.94 2x18 s SER 34 Cb 0.00 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.55 2x18 s SER 34 CO 0.00 -0.37 -0.01 0.12 0.98 0.00 0.00 173.24 173.97 2x18 s PHE 35 N -1.12 2.23 -0.12 5.02 5.36 0.17 -1.24 117.98 128.27 2x18 s PHE 35 Ca 0.47 -1.75 0.03 0.00 -0.96 0.00 0.00 56.93 54.72 2x18 s PHE 35 Cb -0.36 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.67 2x18 s PHE 35 CO 0.48 -0.79 -0.23 0.42 -1.46 0.00 0.00 175.22 173.64 2x18 s ILE 36 N 1.45 2.08 -0.09 3.12 1.01 -0.33 -2.02 121.20 126.41 2x18 s ILE 36 Ca -0.01 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2x18 s ILE 36 Cb -0.18 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2x18 s ILE 36 CO -0.10 0.55 -0.16 -0.83 0.00 0.00 0.00 174.94 174.41 2x18 s GLY 37 N 0.57 1.48 0.21 6.18 0.00 -0.22 -0.79 107.32 114.75 2x18 s GLY 37 Ca -0.13 -0.95 0.10 0.00 0.00 0.00 0.00 44.72 43.73 2x18 s GLY 37 CO 0.04 -0.47 -0.18 -0.19 0.00 0.00 0.00 173.10 172.30 2x18 s TYR 38 N -0.10 1.97 0.45 1.90 2.02 0.33 -0.30 117.35 123.62 2x18 s TYR 38 Ca -0.03 -0.45 0.12 0.00 -0.37 0.00 0.00 57.07 56.34 2x18 s TYR 38 Cb -0.14 -0.92 1.00 0.00 -0.40 0.00 0.00 41.96 41.50 2x18 s TYR 38 CO 0.04 0.47 2.04 -0.22 -1.57 0.00 0.00 175.55 176.31 2x18 h LYS 39 N 2.73 0.20 -3.87 -0.62 3.64 -1.86 -0.05 116.57 116.74 2x18 h LYS 39 Ca -0.41 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.85 2x18 h LYS 39 Cb 1.23 -0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 2x18 h LYS 39 CO 0.57 0.21 -0.29 -1.83 -2.27 0.00 0.00 179.45 175.85 2x18 s GLU 40 N -5.02 1.26 -0.01 1.90 1.03 -1.26 -4.71 118.70 111.88 2x18 s GLU 40 Ca -0.06 -1.22 -0.30 0.00 0.03 0.00 0.00 54.97 53.42 2x18 s GLU 40 Cb 0.16 0.40 -0.07 0.00 -0.80 0.00 0.00 34.13 33.82 2x18 s GLU 40 CO 0.71 -0.48 1.89 0.21 -1.33 0.00 0.00 175.26 176.25 2x18 s LYS 41 N -3.99 4.07 0.47 -4.83 2.20 -1.26 -4.76 119.74 111.64 2x18 s LYS 41 Ca 0.20 2.42 0.17 0.00 -0.36 0.00 0.00 55.97 58.41 2x18 s LYS 41 Cb 0.03 -4.12 1.12 0.00 -1.51 0.00 0.00 37.83 33.34 2x18 s LYS 41 CO 0.03 -1.02 2.03 -1.00 -0.36 0.00 0.00 175.35 175.03 2x18 h PRO 42 N 10.62 0.00 -0.74 4.03 0.13 -1.93 -0.63 132.00 143.47 2x18 h PRO 42 Ca -0.46 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2x18 h PRO 42 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 2x18 h PRO 42 CO 0.95 0.15 0.49 1.96 -0.23 0.00 0.00 178.00 181.32 2x18 h GLN 43 N 0.00 0.76 0.00 0.86 7.50 -2.01 -2.82 115.11 119.40 2x18 h GLN 43 Ca -0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 2x18 h GLN 43 Cb 0.29 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.65 2x18 h GLN 43 CO 0.02 0.50 0.00 -0.25 -1.50 0.00 0.00 178.83 177.60 2x18 n ASP 44 N -4.48 0.00 -3.88 1.46 8.00 -0.24 -4.84 116.55 112.57 2x18 n ASP 44 Ca 0.11 -1.25 -0.11 0.00 0.71 0.00 0.00 54.79 54.25 2x18 n ASP 44 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 2x18 n ASP 44 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2x18 s VAL 45 N -2.00 0.09 0.11 2.53 -7.23 -1.06 -5.04 120.40 107.80 2x18 s VAL 45 Ca 0.17 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 2x18 s VAL 45 Cb 0.08 -0.55 -0.12 0.00 0.56 0.00 0.00 36.38 36.35 2x18 s VAL 45 CO 0.13 -0.43 1.36 0.44 -0.31 0.00 0.00 175.10 176.30 2x18 h ASP 46 N 4.09 0.93 -2.75 4.85 3.45 -1.88 -3.39 116.42 121.72 2x18 h ASP 46 Ca -0.31 -0.56 -0.61 0.00 0.43 0.00 0.00 57.03 55.98 2x18 h ASP 46 Cb 1.19 -0.27 -0.41 0.00 -0.56 0.00 0.00 39.33 39.28 2x18 h ASP 46 CO 0.43 1.33 -0.71 0.00 -1.57 0.00 0.00 179.24 178.72 2x18 n LEU 47 N -4.02 1.97 -4.73 1.55 -0.00 -1.26 -5.09 117.00 105.41 2x18 n LEU 47 Ca -0.06 -4.97 -0.41 0.00 -0.00 0.00 0.00 56.01 50.57 2x18 n LEU 47 Cb 0.65 -0.32 -0.04 0.00 -0.00 0.00 0.00 43.42 43.71 2x18 n LEU 47 CO 0.51 1.83 0.74 -2.16 -0.00 0.00 0.00 177.39 178.30 2x18 s PRO 48 N -1.12 4.64 -0.11 1.47 0.04 -1.26 -5.04 135.00 133.61 2x18 s PRO 48 Ca 0.29 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 2x18 s PRO 48 Cb 0.01 -3.33 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2x18 s PRO 48 CO -0.16 0.13 -0.03 0.71 0.04 0.00 0.00 177.00 177.68 2x18 s TYR 49 N -0.07 1.15 0.32 0.56 4.12 -1.26 -5.11 117.35 117.05 2x18 s TYR 49 Ca 0.49 -0.57 -0.29 0.00 0.02 0.00 0.00 57.07 56.71 2x18 s TYR 49 Cb -0.27 -1.06 -0.11 0.00 -1.52 0.00 0.00 41.96 39.00 2x18 s TYR 49 CO 0.32 -0.46 1.58 -2.30 0.02 0.00 0.00 175.55 174.71 2x18 n PRO 50 N 5.02 2.74 0.09 -1.71 -0.02 -1.26 -4.66 135.00 135.19 2x18 n PRO 50 Ca -0.10 0.97 0.10 0.00 -2.02 0.00 0.00 63.50 62.45 2x18 n PRO 50 Cb 0.49 -2.75 -0.02 0.00 -0.02 0.00 0.00 33.50 31.20 2x18 n PRO 50 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2x18 n LEU 51 N 1.73 0.78 -3.91 2.45 4.77 0.59 -4.95 117.00 118.47 2x18 n LEU 51 Ca 0.07 0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 2x18 n LEU 51 Cb 0.37 -0.04 -0.12 0.00 -2.33 0.00 0.00 43.42 41.30 2x18 n LEU 51 CO 0.64 -0.13 -0.32 0.20 -1.33 0.00 0.00 177.39 176.45 2x18 s ASN 52 N -5.34 0.07 -0.29 -1.43 -0.87 -1.02 -4.96 114.94 101.11 2x18 s ASN 52 Ca -0.01 -0.17 0.01 0.00 -1.57 0.00 0.00 52.86 51.12 2x18 s ASN 52 Cb 0.10 0.10 0.19 0.00 -0.02 0.00 0.00 41.25 41.61 2x18 s ASN 52 CO 0.80 -0.16 0.56 0.21 -2.57 0.00 0.00 177.10 175.95 2x18 s ASN 53 N -0.68 -1.21 0.07 -1.22 2.47 -1.26 -1.06 114.94 112.06 2x18 s ASN 53 Ca -0.08 0.52 -0.05 0.00 0.42 0.00 0.00 52.86 53.68 2x18 s ASN 53 Cb -0.05 1.96 -0.02 0.00 -1.45 0.00 0.00 41.25 41.69 2x18 s ASN 53 CO -0.00 -0.28 0.07 0.72 -3.72 0.00 0.00 177.10 173.89 2x18 s PHE 54 N 2.80 0.35 0.06 0.43 -0.12 -0.85 -4.96 117.98 115.69 2x18 s PHE 54 Ca 0.16 -0.84 -0.19 0.00 -0.05 0.00 0.00 56.93 56.00 2x18 s PHE 54 Cb -0.13 -0.24 -0.07 0.00 -0.63 0.00 0.00 43.02 41.95 2x18 s PHE 54 CO -0.23 -0.45 0.56 0.45 -0.05 0.00 0.00 175.22 175.49 2x18 s SER 55 N -2.89 7.04 0.00 1.98 0.15 -1.26 -0.66 113.70 118.06 2x18 s SER 55 Ca 0.06 1.23 0.21 0.00 0.70 0.00 0.00 55.95 58.15 2x18 s SER 55 Cb 0.07 -2.35 0.62 0.00 -1.71 0.00 0.00 66.02 62.65 2x18 s SER 55 CO -0.10 0.27 1.49 1.33 1.20 0.00 0.00 173.24 177.42 2x18 n VAL 56 N 1.80 0.30 -1.66 4.45 0.24 -0.21 -4.66 118.33 118.58 2x18 n VAL 56 Ca -0.10 -0.48 -0.46 0.00 -2.04 0.00 0.00 64.34 61.26 2x18 n VAL 56 Cb 0.51 0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 33.42 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 0.71 1.04 -1.31 2.33 0.00 -1.26 -1.78 120.51 120.24 2x18 n ALA 57 Ca 0.17 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.94 2x18 n ALA 57 Cb 0.42 -2.29 -0.05 0.00 0.00 0.00 0.00 19.45 17.53 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 2.69 -1.20 -1.50 0.00 5.02 -1.26 -4.58 118.16 117.33 2x18 n LYS 58 Ca 0.15 0.83 -0.31 0.00 -2.02 0.00 0.00 58.31 56.96 2x18 n LYS 58 Cb 0.29 -4.98 0.07 0.00 -0.02 0.00 0.00 35.03 30.40 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 -5.06 1.72 -0.03 0.00 -0.21 -0.80 -4.98 119.66 110.30 2x18 s GLN 60 Ca 0.60 -1.42 0.03 0.00 0.02 0.00 0.00 55.36 54.59 2x18 s GLN 60 Cb -0.15 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 31.90 2x18 s GLN 60 CO 0.55 0.42 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.52 2x18 s LEU 61 N -2.69 1.79 -0.01 2.90 1.43 -1.26 -0.45 118.68 120.38 2x18 s LEU 61 Ca 0.22 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 2x18 s LEU 61 Cb -0.08 -0.64 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2x18 s LEU 61 CO 0.12 0.08 -0.12 -0.04 0.23 0.00 0.00 176.35 176.61 2x18 s MET 62 N 0.22 0.99 -0.09 1.70 -1.94 -0.64 -4.99 119.30 114.55 2x18 s MET 62 Ca -0.04 -0.43 0.03 0.00 -1.71 0.00 0.00 55.69 53.54 2x18 s MET 62 Cb -0.10 -0.95 -0.02 0.00 2.01 0.00 0.00 34.83 35.77 2x18 s MET 62 CO 0.01 0.25 -0.17 0.15 -0.01 0.00 0.00 175.02 175.25 2x18 s LYS 63 N -0.24 2.94 0.16 2.03 1.02 -1.26 -0.43 119.74 123.96 2x18 s LYS 63 Ca 0.04 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 2x18 s LYS 63 Cb -0.05 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 2x18 s LYS 63 CO -0.00 0.36 0.09 -0.08 -0.92 0.00 0.00 175.35 174.79 2x18 s THR 64 N -0.05 0.06 -0.06 2.17 -1.32 -0.57 -5.01 115.64 110.86 2x18 s THR 64 Ca -0.04 -1.95 0.01 0.00 -1.21 0.00 0.00 61.69 58.50 2x18 s THR 64 Cb -0.14 -2.25 -0.00 0.00 -1.51 0.00 0.00 72.50 68.60 2x18 s THR 64 CO 0.04 -0.26 0.28 -0.62 -2.21 0.00 0.00 174.62 171.86 2x18 n GLU 65 N -0.17 2.81 -4.47 7.08 -0.58 -1.26 -1.66 120.64 122.39 2x18 n GLU 65 Ca -0.02 -0.28 -0.21 0.00 -0.42 0.00 0.00 57.16 56.23 2x18 n GLU 65 Cb 0.65 -0.78 -0.15 0.00 -0.57 0.00 0.00 31.44 30.58 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 -0.54 1.05 0.45 3.49 1.81 -1.26 -2.41 118.95 121.54 2x18 s ARG 66 Ca 0.01 -0.37 0.25 0.00 -1.72 0.00 0.00 55.73 53.90 2x18 s ARG 66 Cb 0.01 -0.98 0.97 0.00 -0.45 0.00 0.00 34.95 34.50 2x18 s ARG 66 CO 0.02 0.16 1.84 -1.00 -0.68 0.00 0.00 175.30 175.64 2x18 h PRO 67 N 6.24 0.00 -5.46 3.54 0.13 -2.04 -3.49 132.00 130.92 2x18 h PRO 67 Ca -0.33 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 2x18 h PRO 67 Cb 1.17 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.08 2x18 h PRO 67 CO 0.49 0.20 -0.70 0.15 -0.23 0.00 0.00 178.00 177.91 2x18 s LYS 68 N -3.66 3.42 0.76 0.86 -0.14 -1.23 -5.10 119.74 114.64 2x18 s LYS 68 Ca 0.01 -0.57 -0.15 0.00 -1.36 0.00 0.00 55.97 53.90 2x18 s LYS 68 Cb 0.10 -2.77 0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2x18 s LYS 68 CO 0.63 0.31 1.24 -2.30 -0.76 0.00 0.00 175.35 174.46 2x18 n PRO 69 N 3.29 0.48 -2.71 -1.68 -0.02 -1.01 -3.38 135.00 129.96 2x18 n PRO 69 Ca -0.18 0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.37 2x18 n PRO 69 Cb 0.53 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.85 -5.07 -4.79 2.55 3.02 -1.23 -4.57 115.26 102.32 2x18 n ASN 70 Ca 0.14 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.14 2x18 n ASN 70 Cb 0.50 -3.99 -0.06 0.00 -0.61 0.00 0.00 39.78 35.62 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 -2.98 4.39 -0.01 3.41 2.01 -0.66 -2.14 115.64 119.66 2x18 s THR 71 Ca 0.18 1.62 0.03 0.00 0.31 0.00 0.00 61.69 63.83 2x18 s THR 71 Cb -0.08 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2x18 s THR 71 CO 0.22 0.39 -0.11 0.72 -0.69 0.00 0.00 174.62 175.15 2x18 s PHE 72 N -1.30 0.99 -0.15 4.92 -0.12 0.05 -1.51 117.98 120.85 2x18 s PHE 72 Ca 0.39 -0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 57.07 2x18 s PHE 72 Cb -0.21 -0.64 -0.01 0.00 -0.63 0.00 0.00 43.02 41.53 2x18 s PHE 72 CO 0.25 -0.03 -0.12 0.42 -0.05 0.00 0.00 175.22 175.69 2x18 s ILE 73 N -0.20 3.00 -0.26 -4.49 1.01 0.43 -0.75 121.20 119.93 2x18 s ILE 73 Ca 0.03 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 2x18 s ILE 73 Cb -0.05 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2x18 s ILE 73 CO -0.00 0.51 0.08 -0.63 0.00 0.00 0.00 174.94 174.89 2x18 s ILE 74 N 0.67 4.29 -0.45 2.92 1.01 0.23 -1.61 121.20 128.25 2x18 s ILE 74 Ca -0.06 -0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.11 2x18 s ILE 74 Cb -0.15 -3.05 0.03 0.00 0.01 0.00 0.00 42.46 39.29 2x18 s ILE 74 CO 0.02 0.27 0.67 -0.60 0.00 0.00 0.00 174.94 175.30 2x18 s ARG 75 N 1.60 3.27 -0.06 2.79 3.52 0.40 -1.23 118.95 129.24 2x18 s ARG 75 Ca 0.06 -0.42 -0.05 0.00 -0.13 0.00 0.00 55.73 55.20 2x18 s ARG 75 Cb -0.16 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.22 2x18 s ARG 75 CO 0.04 -1.07 0.15 0.00 -0.81 0.00 0.00 175.30 173.61 2x18 s LEU 77 N -1.46 2.00 -0.19 0.00 2.96 -1.26 -1.29 118.68 119.43 2x18 s LEU 77 Ca 0.21 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2x18 s LEU 77 Cb -0.12 -1.16 0.09 0.00 0.50 0.00 0.00 46.19 45.50 2x18 s LEU 77 CO 0.11 0.21 0.26 -1.10 -1.32 0.00 0.00 176.35 174.50 2x18 s GLN 78 N -0.12 0.21 6.99 1.98 1.11 -0.75 -4.89 119.66 124.18 2x18 s GLN 78 Ca -0.02 0.41 0.00 0.00 0.01 0.00 0.00 55.36 55.76 2x18 s GLN 78 Cb -0.12 -0.76 0.00 0.00 -1.01 0.00 0.00 33.01 31.12 2x18 s GLN 78 CO 0.02 -0.55 0.00 0.91 0.01 0.00 0.00 175.29 175.68 2x18 n TRP 79 N 5.34 0.00 0.62 0.91 8.01 -1.26 -1.26 117.44 129.80 2x18 n TRP 79 Ca -0.05 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.21 2x18 n TRP 79 Cb 0.50 0.00 0.02 0.00 -2.01 0.00 0.00 31.31 29.81 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 0.00 0.00 -3.01 -0.99 -2.24 -1.26 -5.01 114.28 101.77 2x18 n THR 80 Ca 0.00 -0.40 -0.40 0.00 -2.27 0.00 0.00 64.05 60.98 2x18 n THR 80 Cb 0.00 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 2x18 n THR 80 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2x18 s THR 81 N -1.57 5.01 -0.20 4.28 2.01 -0.39 -5.04 115.64 119.74 2x18 s THR 81 Ca 0.13 1.49 -0.14 0.00 0.31 0.00 0.00 61.69 63.47 2x18 s THR 81 Cb 0.12 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2x18 s THR 81 CO 0.30 0.19 0.33 -0.69 -0.69 0.00 0.00 174.62 174.07 2x18 s VAL 82 N 1.16 5.25 -0.09 3.82 1.01 -1.26 -1.82 120.40 128.47 2x18 s VAL 82 Ca 0.38 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2x18 s VAL 82 Cb -0.17 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2x18 s VAL 82 CO 0.17 0.30 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 2x18 s ILE 83 N 1.05 0.94 -0.09 2.22 1.01 -0.41 -4.97 121.20 120.95 2x18 s ILE 83 Ca 0.16 -0.28 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 2x18 s ILE 83 Cb -0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 2x18 s ILE 83 CO 0.06 0.34 0.52 -1.61 0.00 0.00 0.00 174.94 174.25 2x18 s GLU 84 N 1.39 4.32 -0.06 2.79 2.02 -1.26 -0.20 118.70 127.70 2x18 s GLU 84 Ca -0.02 0.55 0.06 0.00 0.02 0.00 0.00 54.97 55.58 2x18 s GLU 84 Cb -0.14 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2x18 s GLU 84 CO -0.04 0.22 -0.24 1.03 0.02 0.00 0.00 175.26 176.24 2x18 s ARG 85 N 0.40 2.53 -0.11 1.61 0.52 -0.36 -4.97 118.95 118.56 2x18 s ARG 85 Ca 0.28 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.63 2x18 s ARG 85 Cb -0.16 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.14 2x18 s ARG 85 CO 0.13 0.41 -0.22 0.99 0.02 0.00 0.00 175.30 176.62 2x18 s THR 86 N -0.22 2.16 0.12 0.02 2.01 -1.26 -0.60 115.64 117.87 2x18 s THR 86 Ca -0.02 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.06 2x18 s THR 86 Cb -0.13 -1.84 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2x18 s THR 86 CO 0.03 0.55 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.03 2x18 s PHE 87 N 0.46 1.30 0.03 4.92 0.08 0.07 -0.99 117.98 123.85 2x18 s PHE 87 Ca -0.15 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.20 2x18 s PHE 87 Cb -0.17 -0.68 0.00 0.00 -0.57 0.00 0.00 43.02 41.60 2x18 s PHE 87 CO 0.06 0.10 0.19 -3.38 -0.10 0.00 0.00 175.22 172.09 2x18 s HIS 88 N -2.35 0.05 0.30 0.36 -3.43 0.15 -0.77 115.29 109.60 2x18 s HIS 88 Ca 0.09 -0.25 0.01 0.00 -0.80 0.00 0.00 55.06 54.12 2x18 s HIS 88 Cb -0.04 -0.03 -0.01 0.00 -1.43 0.00 0.00 32.58 31.08 2x18 s HIS 88 CO 0.02 -0.41 0.05 1.33 -2.00 0.00 0.00 174.74 173.73 2x18 n VAL 89 N 0.79 0.00 0.93 -5.38 0.24 -0.91 -1.17 118.33 112.83 2x18 n VAL 89 Ca -0.19 -1.58 0.10 0.00 -2.04 0.00 0.00 64.34 60.63 2x18 n VAL 89 Cb 0.58 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 2x18 n VAL 89 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2x18 n ASP 90 N -1.46 1.39 -4.11 -1.34 8.00 -1.26 -4.62 116.55 113.14 2x18 n ASP 90 Ca -0.09 -1.19 -0.10 0.00 0.71 0.00 0.00 54.79 54.12 2x18 n ASP 90 Cb 0.41 0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 42.17 2x18 n ASP 90 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2x18 s THR 91 N -2.61 0.45 0.31 -3.53 -4.23 -1.26 -5.03 115.64 99.74 2x18 s THR 91 Ca 0.12 -1.64 0.15 0.00 -1.18 0.00 0.00 61.69 59.13 2x18 s THR 91 Cb 0.16 -1.30 0.09 0.00 1.34 0.00 0.00 72.50 72.79 2x18 s THR 91 CO 0.68 -0.79 1.79 1.55 -0.54 0.00 0.00 174.62 177.30 2x18 h PRO 92 N 3.46 0.00 -0.48 3.99 0.13 -1.95 -2.46 132.00 134.70 2x18 h PRO 92 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.69 2x18 h PRO 92 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2x18 h PRO 92 CO 0.59 0.40 -0.08 0.93 -0.23 0.00 0.00 178.00 179.61 2x18 h GLU 93 N 0.00 0.90 -0.60 0.86 3.07 -1.99 -1.02 114.58 115.80 2x18 h GLU 93 Ca -0.00 -0.33 -0.07 0.00 -0.50 0.00 0.00 59.36 58.45 2x18 h GLU 93 Cb 0.77 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.59 2x18 h GLU 93 CO 0.05 0.97 0.08 1.49 -1.40 0.00 0.00 179.01 180.21 2x18 h GLU 94 N 0.75 1.00 -0.41 2.33 4.57 -1.94 -1.63 114.58 119.25 2x18 h GLU 94 Ca 0.13 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2x18 h GLU 94 Cb 0.62 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 2x18 h GLU 94 CO 0.04 0.95 0.24 -0.09 -1.18 0.00 0.00 179.01 178.96 2x18 h ARG 95 N 0.90 0.56 -0.53 1.92 2.43 -1.15 -2.56 114.38 115.95 2x18 h ARG 95 Ca 0.18 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2x18 h ARG 95 Cb 0.44 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2x18 h ARG 95 CO 0.01 0.44 0.20 1.49 -1.51 0.00 0.00 179.97 180.60 2x18 h GLU 96 N 0.53 0.77 -0.54 0.20 4.57 -0.97 0.44 114.58 119.58 2x18 h GLU 96 Ca 0.15 -0.12 0.09 0.00 -1.18 0.00 0.00 59.36 58.29 2x18 h GLU 96 Cb 0.03 -0.14 -0.07 0.00 -0.16 0.00 0.00 28.75 28.41 2x18 h GLU 96 CO -0.03 0.64 0.15 0.93 -1.18 0.00 0.00 179.01 179.53 2x18 h GLU 97 N 0.76 0.30 -0.15 1.92 5.08 -0.99 0.90 114.58 122.39 2x18 h GLU 97 Ca 0.18 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2x18 h GLU 97 Cb 0.17 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2x18 h GLU 97 CO -0.02 0.20 -0.00 -1.49 -1.00 0.00 0.00 179.01 176.70 2x18 h TRP 98 N 0.31 0.30 -0.06 4.33 4.06 -0.94 -1.39 115.95 122.57 2x18 h TRP 98 Ca 0.27 -0.05 -0.15 0.00 2.06 0.00 0.00 58.89 61.01 2x18 h TRP 98 Cb 0.34 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2x18 h TRP 98 CO -0.20 0.50 -0.63 1.79 -3.56 0.00 0.00 178.44 176.34 2x18 h THR 99 N 0.01 1.40 -0.11 1.49 1.35 -0.79 0.29 112.91 116.55 2x18 h THR 99 Ca 0.04 -2.06 -0.01 0.00 -0.55 0.00 0.00 66.41 63.84 2x18 h THR 99 Cb 0.38 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 2x18 h THR 99 CO 0.01 0.61 0.05 -0.33 -0.25 0.00 0.00 175.52 175.60 2x18 h GLU 100 N 0.16 0.16 -0.48 4.72 5.08 -0.83 -2.18 114.58 121.21 2x18 h GLU 100 Ca -0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2x18 h GLU 100 Cb 1.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2x18 h GLU 100 CO 0.10 0.26 0.16 0.00 -1.00 0.00 0.00 179.01 178.52 2x18 h ALA 101 N 0.90 0.63 -0.01 3.43 0.00 -0.94 -0.69 119.26 122.57 2x18 h ALA 101 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2x18 h ALA 101 Cb 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2x18 h ALA 101 CO -0.00 0.27 0.01 0.82 0.00 0.00 0.00 179.25 180.35 2x18 h ILE 102 N 0.64 1.04 -0.66 0.00 2.04 -0.98 -0.81 117.51 118.78 2x18 h ILE 102 Ca 0.16 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2x18 h ILE 102 Cb 0.25 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2x18 h ILE 102 CO -0.01 0.03 0.31 -0.61 0.00 0.00 0.00 178.15 177.88 2x18 h GLN 103 N -0.03 0.94 -0.32 2.37 5.75 -1.21 -1.17 115.11 121.43 2x18 h GLN 103 Ca 0.00 -0.12 -0.13 0.00 -0.15 0.00 0.00 58.65 58.25 2x18 h GLN 103 Cb 0.04 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.41 2x18 h GLN 103 CO -0.00 0.72 -0.34 0.00 -2.65 0.00 0.00 178.83 176.57 2x18 h ALA 104 N 1.41 0.80 -0.35 3.38 0.00 -0.75 0.13 119.26 123.88 2x18 h ALA 104 Ca 0.23 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2x18 h ALA 104 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2x18 h ALA 104 CO -0.03 0.65 0.03 0.28 0.00 0.00 0.00 179.25 180.18 2x18 h VAL 105 N 0.60 1.25 -0.83 0.00 2.07 -0.87 -1.88 116.25 116.58 2x18 h VAL 105 Ca 0.06 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2x18 h VAL 105 Cb 0.86 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2x18 h VAL 105 CO 0.08 0.30 0.53 0.00 0.02 0.00 0.00 177.57 178.49 2x18 h ALA 106 N 0.88 1.06 -0.75 1.67 0.00 -0.93 -0.95 119.26 120.24 2x18 h ALA 106 Ca 0.10 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2x18 h ALA 106 Cb 0.40 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2x18 h ALA 106 CO 0.01 0.50 0.29 -0.44 0.00 0.00 0.00 179.25 179.61 2x18 h ASP 107 N 1.14 1.05 -0.49 0.00 3.32 -0.62 -1.55 116.42 119.27 2x18 h ASP 107 Ca 0.30 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2x18 h ASP 107 Cb -0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.17 2x18 h ASP 107 CO -0.06 0.94 0.27 -0.09 -1.72 0.00 0.00 179.24 178.58 2x18 h ARG 108 N 1.09 0.69 -0.65 3.56 2.43 -0.96 -1.18 114.38 119.36 2x18 h ARG 108 Ca 0.25 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2x18 h ARG 108 Cb 0.23 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 2x18 h ARG 108 CO -0.02 0.54 0.26 -0.07 -1.51 0.00 0.00 179.97 179.18 2x18 h LEU 109 N 0.66 0.87 -0.34 3.80 3.38 -0.84 -0.72 115.31 122.12 2x18 h LEU 109 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2x18 h LEU 109 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2x18 h LEU 109 CO -0.03 0.78 -0.16 -0.61 0.09 0.00 0.00 178.44 178.52 2x18 h GLN 110 N 0.94 0.71 -0.81 1.13 5.75 -0.99 -0.94 115.11 120.90 2x18 h GLN 110 Ca 0.22 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2x18 h GLN 110 Cb 0.18 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 2x18 h GLN 110 CO -0.02 0.91 0.44 -0.09 -2.65 0.00 0.00 178.83 177.41 2x18 h ARG 111 N 0.48 1.14 -0.64 1.69 2.43 -0.93 -1.43 114.38 117.12 2x18 h ARG 111 Ca 0.08 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2x18 h ARG 111 Cb 0.69 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2x18 h ARG 111 CO 0.05 0.84 0.28 1.96 -1.51 0.00 0.00 179.97 181.59 2x18 h GLN 112 N 1.13 0.95 -0.69 0.20 4.20 -0.70 -0.80 115.11 119.38 2x18 h GLN 112 Ca 0.28 -0.16 0.05 0.00 0.06 0.00 0.00 58.65 58.89 2x18 h GLN 112 Cb 0.05 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2x18 h GLN 112 CO -0.04 0.78 0.41 1.49 -0.67 0.00 0.00 178.83 180.79 2x18 h GLU 113 N 0.90 0.74 -0.48 1.46 4.81 -0.84 -1.92 114.58 119.25 2x18 h GLU 113 Ca 0.22 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2x18 h GLU 113 Cb 0.17 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2x18 h GLU 113 CO -0.02 0.49 0.03 0.93 -0.73 0.00 0.00 179.01 179.70 2x18 h GLU 114 N 0.76 0.78 -0.42 1.92 5.08 -0.78 -2.29 114.58 119.63 2x18 h GLU 114 Ca 0.30 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2x18 h GLU 114 Cb 0.14 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2x18 h GLU 114 CO -0.16 0.77 -0.07 0.93 -1.00 0.00 0.00 179.01 179.48 2x18 h GLU 115 N 0.73 0.73 -0.09 2.33 5.08 -0.77 -1.84 114.58 120.75 2x18 h GLU 115 Ca 0.15 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2x18 h GLU 115 Cb 0.41 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x18 h GLU 115 CO 0.01 0.79 -0.01 0.00 -1.00 0.00 0.00 179.01 178.81 2x18 h ARG 116 N 0.67 0.17 0.00 2.33 3.08 -0.86 -3.08 114.38 116.68 2x18 h ARG 116 Ca 0.12 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2x18 h ARG 116 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2x18 h ARG 116 CO 0.03 0.45 -0.15 0.00 -1.07 0.00 0.00 179.97 179.23 2x18 h MET 117 N -0.13 0.00 0.00 0.04 -0.00 -1.40 -3.52 114.93 109.92 2x18 h MET 117 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 2x18 h MET 117 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2x18 h MET 117 CO 0.01 0.15 0.00 0.09 -0.00 0.00 0.00 176.91 177.16