#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 0.69 -0.15 2.52 -4.23 -1.26 -4.94 115.64 108.27 2x18 s THR 5 Ca 0.00 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.27 2x18 s THR 5 Cb 0.00 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 2x18 s THR 5 CO 0.00 0.00 0.75 -0.63 -0.54 0.00 0.00 174.62 174.20 2x18 s ILE 6 N -3.57 4.95 -0.09 2.99 1.01 -1.26 -1.10 121.20 124.13 2x18 s ILE 6 Ca 0.36 1.49 -0.09 0.00 0.00 0.00 0.00 60.65 62.40 2x18 s ILE 6 Cb 0.07 -4.07 -0.28 0.00 0.01 0.00 0.00 42.46 38.19 2x18 s ILE 6 CO 0.15 0.10 0.50 0.58 0.00 0.00 0.00 174.94 176.26 2x18 h VAL 7 N 5.09 0.77 -2.34 2.92 2.07 -0.98 -3.48 116.25 120.31 2x18 h VAL 7 Ca -0.32 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 64.71 2x18 h VAL 7 Cb 1.15 2.62 -0.21 0.00 -1.52 0.00 0.00 31.29 33.33 2x18 h VAL 7 CO 0.80 0.87 -0.01 -0.75 0.02 0.00 0.00 177.57 178.50 2x18 s LYS 8 N -2.56 0.75 -0.00 1.57 2.20 -1.21 -5.02 119.74 115.47 2x18 s LYS 8 Ca -0.20 0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 55.97 2x18 s LYS 8 Cb 0.06 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 2x18 s LYS 8 CO 0.80 -0.14 0.09 -1.83 -0.36 0.00 0.00 175.35 173.91 2x18 s GLU 9 N -0.15 0.38 0.00 4.03 -1.05 -1.26 -0.79 118.70 119.86 2x18 s GLU 9 Ca -0.04 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 2x18 s GLU 9 Cb -0.03 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2x18 s GLU 9 CO 0.03 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.57 2x18 n GLY 10 N 1.77 0.55 3.73 -3.83 0.00 -0.41 -5.00 105.19 102.00 2x18 n GLY 10 Ca -0.21 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 3.46 0.13 1.61 0.52 -1.26 -1.31 118.94 120.09 2x18 s TRP 11 Ca 0.00 1.44 0.03 0.00 0.02 0.00 0.00 56.10 57.59 2x18 s TRP 11 Cb 0.00 -3.40 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 2x18 s TRP 11 CO 0.00 -1.10 -0.09 0.14 0.02 0.00 0.00 176.95 175.92 2x18 s VAL 12 N 0.10 0.99 -0.05 4.03 -7.23 -0.08 -4.95 120.40 113.19 2x18 s VAL 12 Ca 0.53 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.52 2x18 s VAL 12 Cb -0.31 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2x18 s VAL 12 CO 0.35 -0.79 0.44 -1.10 -0.31 0.00 0.00 175.10 173.70 2x18 s GLN 13 N -3.78 4.15 -0.03 4.82 -1.52 -0.27 -0.81 119.66 122.21 2x18 s GLN 13 Ca 0.15 0.44 0.03 0.00 -1.95 0.00 0.00 55.36 54.02 2x18 s GLN 13 Cb 0.04 -3.33 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 2x18 s GLN 13 CO -0.01 0.43 -0.10 0.21 -0.25 0.00 0.00 175.29 175.57 2x18 s LYS 14 N -0.25 1.08 0.32 2.91 2.20 -0.14 -0.67 119.74 125.18 2x18 s LYS 14 Ca 0.25 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 55.23 2x18 s LYS 14 Cb -0.16 -0.99 -0.10 0.00 -1.51 0.00 0.00 37.83 35.07 2x18 s LYS 14 CO 0.12 0.12 1.29 1.03 -0.36 0.00 0.00 175.35 177.55 2x18 s ARG 15 N 0.20 4.38 0.75 4.03 0.52 -0.15 -0.82 118.95 127.86 2x18 s ARG 15 Ca -0.04 2.17 -0.14 0.00 -0.52 0.00 0.00 55.73 57.21 2x18 s ARG 15 Cb -0.09 -3.09 0.05 0.00 0.52 0.00 0.00 34.95 32.34 2x18 s ARG 15 CO 0.01 -0.16 1.16 0.20 0.02 0.00 0.00 175.30 176.53 2x18 s GLY 16 N -0.45 2.12 0.25 -3.53 0.00 -0.86 -4.73 107.32 100.11 2x18 s GLY 16 Ca 0.49 0.69 0.02 0.00 0.00 0.00 0.00 44.72 45.92 2x18 s GLY 16 CO 0.51 1.08 1.63 0.83 0.00 0.00 0.00 173.10 177.14 2x18 h GLU 17 N -0.58 0.42 0.00 2.90 4.39 -1.94 -3.38 114.58 116.38 2x18 h GLU 17 Ca -0.46 -0.21 -0.22 0.00 0.34 0.00 0.00 59.36 58.81 2x18 h GLU 17 Cb 1.27 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 2x18 h GLU 17 CO 0.49 0.77 -1.82 0.66 -1.16 0.00 0.00 179.01 177.96 2x18 n TYR 18 N -4.01 0.00 -4.43 4.33 4.01 -1.26 -4.97 117.16 110.82 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 0.51 -0.55 -0.15 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.29 2.61 -1.24 -0.72 1.01 -1.26 -5.04 121.20 114.27 2x18 s ILE 19 Ca -0.19 -0.78 0.19 0.00 0.00 0.00 0.00 60.65 59.86 2x18 s ILE 19 Cb 0.05 -2.10 0.25 0.00 0.01 0.00 0.00 42.46 40.66 2x18 s ILE 19 CO 0.33 0.51 1.58 0.29 0.00 0.00 0.00 174.94 177.65 2x18 n LYS 20 N 4.19 0.15 -1.62 2.79 5.02 -1.26 -2.04 118.16 125.39 2x18 n LYS 20 Ca -0.19 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 2x18 n LYS 20 Cb 0.51 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.03 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 -1.38 1.51 -4.74 4.39 4.13 -1.26 -4.01 115.26 113.90 2x18 n ASN 21 Ca 0.07 1.07 -0.41 0.00 1.68 0.00 0.00 54.58 56.99 2x18 n ASN 21 Cb 0.18 -1.37 -0.03 0.00 -1.54 0.00 0.00 39.78 37.02 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 -1.23 3.21 0.01 3.10 0.52 -1.26 -2.11 118.94 121.19 2x18 s TRP 22 Ca 0.62 1.22 0.03 0.00 0.02 0.00 0.00 56.10 57.98 2x18 s TRP 22 Cb -0.57 -3.63 -0.01 0.00 -1.15 0.00 0.00 33.47 28.10 2x18 s TRP 22 CO 0.58 -1.96 -0.08 1.03 0.02 0.00 0.00 176.95 176.53 2x18 s ARG 23 N -0.33 0.62 0.16 4.98 3.00 -0.00 -4.90 118.95 122.47 2x18 s ARG 23 Ca 0.56 -0.46 -0.30 0.00 0.00 0.00 0.00 55.73 55.52 2x18 s ARG 23 Cb -0.37 -0.55 -0.08 0.00 0.00 0.00 0.00 34.95 33.95 2x18 s ARG 23 CO 0.40 0.14 1.21 -1.25 0.00 0.00 0.00 175.30 175.80 2x18 s PRO 24 N -0.69 4.47 -0.02 3.54 0.04 -1.26 -0.97 135.00 140.10 2x18 s PRO 24 Ca -0.01 1.87 -0.07 0.00 0.04 0.00 0.00 61.00 62.84 2x18 s PRO 24 Cb -0.05 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2x18 s PRO 24 CO 0.00 -0.15 0.15 0.50 0.04 0.00 0.00 177.00 177.54 2x18 s ARG 25 N 0.12 0.38 -0.34 4.56 3.52 0.01 -4.87 118.95 122.34 2x18 s ARG 25 Ca 0.55 -0.16 -0.12 0.00 -0.13 0.00 0.00 55.73 55.87 2x18 s ARG 25 Cb -0.32 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.22 2x18 s ARG 25 CO 0.35 -0.08 0.21 -0.47 -0.81 0.00 0.00 175.30 174.49 2x18 s TYR 26 N -0.84 3.21 0.07 5.12 5.04 -0.20 -0.91 117.35 128.85 2x18 s TYR 26 Ca -0.09 -0.43 0.06 0.00 -2.44 0.00 0.00 57.07 54.16 2x18 s TYR 26 Cb -0.05 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.79 2x18 s TYR 26 CO 0.01 -0.43 -0.09 -0.06 -1.34 0.00 0.00 175.55 173.64 2x18 s PHE 27 N 1.66 2.79 -0.06 4.97 0.40 -0.43 -0.85 117.98 126.46 2x18 s PHE 27 Ca 0.05 -0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.30 2x18 s PHE 27 Cb -0.17 -1.50 0.00 0.00 0.51 0.00 0.00 43.02 41.86 2x18 s PHE 27 CO 0.09 0.40 -0.18 -0.51 0.70 0.00 0.00 175.22 175.72 2x18 s LEU 28 N -1.91 1.89 -0.24 -0.37 1.02 0.15 -1.29 118.68 117.93 2x18 s LEU 28 Ca 0.20 -0.39 -0.08 0.00 0.02 0.00 0.00 54.13 53.88 2x18 s LEU 28 Cb -0.11 -1.04 -0.04 0.00 0.02 0.00 0.00 46.19 45.02 2x18 s LEU 28 CO 0.12 0.13 0.09 -0.22 0.02 0.00 0.00 176.35 176.49 2x18 s LEU 29 N 0.23 3.63 0.21 1.79 2.96 0.03 -1.17 118.68 126.35 2x18 s LEU 29 Ca -0.09 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2x18 s LEU 29 Cb -0.14 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2x18 s LEU 29 CO 0.04 0.00 0.37 -0.54 -1.32 0.00 0.00 176.35 174.90 2x18 s LYS 30 N 1.39 3.48 0.63 1.98 1.02 -0.06 -0.31 119.74 127.88 2x18 s LYS 30 Ca 0.06 -0.49 0.40 0.00 0.02 0.00 0.00 55.97 55.96 2x18 s LYS 30 Cb -0.15 -2.86 2.15 0.00 -0.52 0.00 0.00 37.83 36.45 2x18 s LYS 30 CO 0.05 0.41 2.29 1.79 -0.92 0.00 0.00 175.35 178.97 2x18 h THR 31 N 1.42 0.10 -0.19 2.17 1.35 -1.44 -1.88 112.91 114.44 2x18 h THR 31 Ca -0.49 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2x18 h THR 31 Cb 1.20 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2x18 h THR 31 CO 0.66 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 2x18 n ASP 32 N -3.21 1.32 0.00 5.36 5.75 -1.26 -4.88 116.55 119.62 2x18 n ASP 32 Ca -0.02 -1.80 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2x18 n ASP 32 Cb 0.12 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.99 0.65 3.72 6.12 0.00 -0.71 -4.97 105.19 110.99 2x18 n GLY 33 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.58 6.85 -0.26 1.61 0.01 -1.26 -1.06 113.70 117.02 2x18 s SER 34 Ca 0.00 2.35 0.02 0.00 1.31 0.00 0.00 55.95 59.63 2x18 s SER 34 Cb 0.00 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.69 2x18 s SER 34 CO 0.00 -0.61 -0.09 0.12 0.41 0.00 0.00 173.24 173.07 2x18 s PHE 35 N 0.75 3.23 -0.10 2.43 5.36 0.65 -0.88 117.98 129.42 2x18 s PHE 35 Ca 0.62 -2.18 0.04 0.00 -0.96 0.00 0.00 56.93 54.45 2x18 s PHE 35 Cb -0.37 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.35 2x18 s PHE 35 CO 0.33 -0.86 -0.24 0.96 -1.46 0.00 0.00 175.22 173.96 2x18 s ILE 36 N 1.15 2.04 0.03 3.12 -4.36 -0.32 -1.91 121.20 120.95 2x18 s ILE 36 Ca -0.07 -1.01 0.08 0.00 -0.26 0.00 0.00 60.65 59.39 2x18 s ILE 36 Cb -0.19 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.73 2x18 s ILE 36 CO -0.05 0.56 -0.24 -0.83 0.24 0.00 0.00 174.94 174.61 2x18 s GLY 37 N 0.34 1.27 0.15 6.27 0.00 -0.14 -0.67 107.32 114.53 2x18 s GLY 37 Ca -0.19 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.40 2x18 s GLY 37 CO 0.09 -1.03 -0.04 -0.19 0.00 0.00 0.00 173.10 171.93 2x18 s TYR 38 N -0.74 1.14 -0.59 1.90 2.02 -0.03 -0.19 117.35 120.87 2x18 s TYR 38 Ca 0.10 -0.94 0.25 0.00 -0.37 0.00 0.00 57.07 56.11 2x18 s TYR 38 Cb -0.09 -0.64 0.90 0.00 -0.40 0.00 0.00 41.96 41.73 2x18 s TYR 38 CO 0.01 -0.14 1.75 0.36 -1.57 0.00 0.00 175.55 175.96 2x18 n LYS 39 N -0.18 0.23 -3.82 -0.62 2.85 -1.26 -1.03 118.16 114.33 2x18 n LYS 39 Ca -0.09 0.33 -0.09 0.00 -1.05 0.00 0.00 58.31 57.41 2x18 n LYS 39 Cb 0.62 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 33.10 2x18 n LYS 39 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2x18 s GLU 40 N -3.22 1.34 -0.00 -1.58 -1.05 -1.26 -4.71 118.70 108.22 2x18 s GLU 40 Ca 0.07 -0.98 -0.33 0.00 -0.15 0.00 0.00 54.97 53.59 2x18 s GLU 40 Cb 0.11 0.48 -0.11 0.00 -0.44 0.00 0.00 34.13 34.16 2x18 s GLU 40 CO 0.49 -0.55 1.86 1.17 0.95 0.00 0.00 175.26 179.18 2x18 n LYS 41 N -0.31 2.42 -2.45 -4.83 4.81 -1.26 -4.69 118.16 111.84 2x18 n LYS 41 Ca -0.09 0.88 -0.41 0.00 -0.87 0.00 0.00 58.31 57.83 2x18 n LYS 41 Cb 0.62 -2.75 -0.04 0.00 0.02 0.00 0.00 35.03 32.89 2x18 n LYS 41 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2x18 s PRO 42 N 3.58 4.55 0.60 1.64 0.04 -1.26 -5.02 135.00 139.13 2x18 s PRO 42 Ca 0.89 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.55 2x18 s PRO 42 Cb -0.60 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 30.65 2x18 s PRO 42 CO 0.46 0.01 1.13 -0.65 0.04 0.00 0.00 177.00 177.99 2x18 s GLN 43 N -0.39 3.04 0.18 4.56 1.11 -1.26 -4.92 119.66 121.98 2x18 s GLN 43 Ca 0.51 1.56 -0.13 0.00 0.01 0.00 0.00 55.36 57.30 2x18 s GLN 43 Cb -0.31 -1.97 0.13 0.00 -1.01 0.00 0.00 33.01 29.85 2x18 s GLN 43 CO 0.36 -1.09 1.78 -0.44 0.01 0.00 0.00 175.29 175.91 2x18 h ASP 44 N 0.64 0.36 0.11 5.90 3.32 -2.02 -0.53 116.42 124.19 2x18 h ASP 44 Ca -0.49 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2x18 h ASP 44 Cb 1.26 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2x18 h ASP 44 CO 0.55 0.25 0.00 -0.37 -1.72 0.00 0.00 179.24 177.95 2x18 h VAL 45 N 0.49 0.00 -0.01 -1.35 -1.51 -2.04 -1.95 116.25 109.88 2x18 h VAL 45 Ca 0.22 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 2x18 h VAL 45 Cb 0.13 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 2x18 h VAL 45 CO -0.16 0.00 -0.60 0.47 -1.23 0.00 0.00 177.57 176.05 2x18 n ASP 46 N -2.71 1.17 -0.25 4.19 8.00 -0.23 -4.47 116.55 122.25 2x18 n ASP 46 Ca -0.02 -0.95 0.15 0.00 0.71 0.00 0.00 54.79 54.68 2x18 n ASP 46 Cb 0.08 0.52 0.44 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.89 0.53 0.00 0.64 3.38 -1.08 -0.94 115.31 118.73 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 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2x18 h LEU 47 CO 0.00 0.25 0.00 -2.65 0.09 0.00 0.00 178.44 176.13 2x18 n PRO 48 N -4.54 0.74 -2.91 1.13 -0.02 -1.26 -4.12 135.00 124.02 2x18 n PRO 48 Ca 0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.42 2x18 n PRO 48 Cb 0.56 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.53 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 -0.99 3.03 -2.04 6.00 4.01 -0.36 -5.09 117.16 121.72 2x18 n TYR 49 Ca 0.17 -3.77 -0.33 0.00 -0.16 0.00 0.00 57.90 53.81 2x18 n TYR 49 Cb 0.08 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.71 2x18 n TYR 49 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x18 s PRO 50 N -3.26 3.24 0.20 -0.72 0.04 -1.26 -4.96 135.00 128.29 2x18 s PRO 50 Ca 0.46 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2x18 s PRO 50 Cb 0.32 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.97 2x18 s PRO 50 CO -0.13 -0.89 1.48 -0.07 0.04 0.00 0.00 177.00 177.44 2x18 h LEU 51 N 0.52 0.35 -8.25 -3.56 3.38 -0.94 -3.46 115.31 103.34 2x18 h LEU 51 Ca -0.47 -0.23 -0.42 0.00 0.09 0.00 0.00 57.88 56.85 2x18 h LEU 51 Cb 1.23 -0.10 -0.25 0.00 0.09 0.00 0.00 40.66 41.62 2x18 h LEU 51 CO 0.57 0.94 -0.79 0.20 0.09 0.00 0.00 178.44 179.45 2x18 s ASN 52 N -6.93 1.47 -0.29 -0.43 -0.87 -0.87 -4.97 114.94 102.05 2x18 s ASN 52 Ca -0.04 -0.40 0.05 0.00 -1.57 0.00 0.00 52.86 50.89 2x18 s ASN 52 Cb 0.11 -0.10 0.20 0.00 -0.02 0.00 0.00 41.25 41.44 2x18 s ASN 52 CO 0.82 0.03 0.58 0.21 -2.57 0.00 0.00 177.10 176.17 2x18 s ASN 53 N -0.98 -1.45 0.14 -1.22 2.47 -1.25 -0.97 114.94 111.67 2x18 s ASN 53 Ca 0.01 0.26 0.01 0.00 0.42 0.00 0.00 52.86 53.56 2x18 s ASN 53 Cb -0.07 1.99 -0.04 0.00 -1.45 0.00 0.00 41.25 41.67 2x18 s ASN 53 CO 0.01 -0.30 -0.00 0.72 -3.72 0.00 0.00 177.10 173.81 2x18 s PHE 54 N 2.81 1.01 0.03 0.43 -0.12 -0.80 -4.96 117.98 116.38 2x18 s PHE 54 Ca 0.12 -1.05 -0.14 0.00 -0.05 0.00 0.00 56.93 55.80 2x18 s PHE 54 Cb -0.11 -0.58 -0.06 0.00 -0.63 0.00 0.00 43.02 41.64 2x18 s PHE 54 CO -0.25 -0.28 0.43 0.45 -0.05 0.00 0.00 175.22 175.51 2x18 s SER 55 N -3.10 6.81 0.00 1.98 0.15 -1.26 -0.26 113.70 118.02 2x18 s SER 55 Ca 0.20 0.97 0.18 0.00 0.70 0.00 0.00 55.95 58.00 2x18 s SER 55 Cb 0.06 -2.25 0.51 0.00 -1.71 0.00 0.00 66.02 62.64 2x18 s SER 55 CO 0.01 0.29 1.42 1.33 1.20 0.00 0.00 173.24 177.48 2x18 n VAL 56 N 1.62 0.55 -1.70 4.45 0.24 -0.22 -4.70 118.33 118.56 2x18 n VAL 56 Ca -0.12 -0.63 -0.43 0.00 -2.04 0.00 0.00 64.34 61.12 2x18 n VAL 56 Cb 0.52 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.95 2.43 -1.55 2.33 0.00 -1.26 -1.66 120.51 121.75 2x18 n ALA 57 Ca 0.17 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.86 2x18 n ALA 57 Cb 0.44 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.35 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 3.80 -1.16 -1.55 0.00 5.02 -1.26 -4.59 118.16 118.43 2x18 n LYS 58 Ca 0.16 1.05 -0.32 0.00 -2.02 0.00 0.00 58.31 57.19 2x18 n LYS 58 Cb 0.33 -5.27 0.06 0.00 -0.02 0.00 0.00 35.03 30.13 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 -4.69 1.97 -0.04 0.00 -0.21 -0.80 -4.98 119.66 110.92 2x18 s GLN 60 Ca 0.62 -1.14 0.04 0.00 0.02 0.00 0.00 55.36 54.90 2x18 s GLN 60 Cb -0.17 -2.20 -0.00 0.00 1.00 0.00 0.00 33.01 31.64 2x18 s GLN 60 CO 0.50 0.48 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.49 2x18 s LEU 61 N -2.31 1.88 -0.02 2.90 1.43 -1.26 -0.43 118.68 120.87 2x18 s LEU 61 Ca 0.21 -0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 2x18 s LEU 61 Cb -0.10 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 2x18 s LEU 61 CO 0.13 0.13 -0.13 -0.04 0.23 0.00 0.00 176.35 176.67 2x18 s MET 62 N 0.12 1.15 -0.09 1.70 -1.94 -0.56 -4.99 119.30 114.69 2x18 s MET 62 Ca -0.05 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 53.48 2x18 s MET 62 Cb -0.12 -1.08 -0.02 0.00 2.01 0.00 0.00 34.83 35.62 2x18 s MET 62 CO 0.02 0.24 -0.13 0.15 -0.01 0.00 0.00 175.02 175.30 2x18 s LYS 63 N -0.16 2.99 0.15 2.03 1.02 -1.26 -0.12 119.74 124.40 2x18 s LYS 63 Ca 0.02 -0.67 -0.03 0.00 0.02 0.00 0.00 55.97 55.31 2x18 s LYS 63 Cb -0.07 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.67 2x18 s LYS 63 CO 0.00 0.42 0.12 -0.08 -0.92 0.00 0.00 175.35 174.89 2x18 s THR 64 N -0.18 0.07 0.00 2.17 -1.32 -0.61 -5.01 115.64 110.76 2x18 s THR 64 Ca 0.00 -1.83 0.00 0.00 -1.21 0.00 0.00 61.69 58.65 2x18 s THR 64 Cb -0.13 -2.11 0.00 0.00 -1.51 0.00 0.00 72.50 68.75 2x18 s THR 64 CO 0.03 -0.33 0.42 -0.62 -2.21 0.00 0.00 174.62 171.92 2x18 n GLU 65 N -0.16 -0.01 -4.12 7.08 -0.58 -1.26 -1.86 120.64 119.73 2x18 n GLU 65 Ca -0.04 -0.42 -0.17 0.00 -0.42 0.00 0.00 57.16 56.10 2x18 n GLU 65 Cb 0.64 -0.92 -0.15 0.00 -0.57 0.00 0.00 31.44 30.43 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 -0.12 0.54 0.50 3.49 1.81 -1.26 -2.40 118.95 121.51 2x18 s ARG 66 Ca 0.00 -0.11 0.29 0.00 -1.72 0.00 0.00 55.73 54.20 2x18 s ARG 66 Cb 0.00 -0.57 1.10 0.00 -0.45 0.00 0.00 34.95 35.03 2x18 s ARG 66 CO 0.00 -0.00 1.89 -1.00 -0.68 0.00 0.00 175.30 175.51 2x18 h PRO 67 N 6.66 0.00 -5.35 3.54 0.13 -2.04 -3.49 132.00 131.44 2x18 h PRO 67 Ca -0.35 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.13 2x18 h PRO 67 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 2x18 h PRO 67 CO 0.49 0.07 -0.73 0.15 -0.23 0.00 0.00 178.00 177.75 2x18 s LYS 68 N -3.60 3.46 0.61 0.86 -0.14 -1.24 -5.11 119.74 114.59 2x18 s LYS 68 Ca 0.02 -0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 53.82 2x18 s LYS 68 Cb 0.09 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.46 2x18 s LYS 68 CO 0.59 0.24 0.97 -2.30 -0.76 0.00 0.00 175.35 174.09 2x18 n PRO 69 N 3.47 0.89 -2.78 -1.68 -0.02 -1.01 -3.46 135.00 130.42 2x18 n PRO 69 Ca -0.18 0.35 -0.16 0.00 -2.02 0.00 0.00 63.50 61.49 2x18 n PRO 69 Cb 0.53 -2.18 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 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 -0.81 -4.83 -4.80 2.55 3.02 -1.23 -4.57 115.26 104.58 2x18 n ASN 70 Ca 0.14 -0.20 -0.38 0.00 -0.03 0.00 0.00 54.58 54.11 2x18 n ASN 70 Cb 0.47 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.88 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 4.56 -0.00 3.41 2.01 -0.78 -2.09 115.64 119.77 2x18 s THR 71 Ca 0.21 1.40 0.04 0.00 0.31 0.00 0.00 61.69 63.65 2x18 s THR 71 Cb -0.09 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 2x18 s THR 71 CO 0.26 0.45 -0.14 0.72 -0.69 0.00 0.00 174.62 175.22 2x18 s PHE 72 N -1.23 1.21 -0.13 4.92 -0.12 -0.08 -1.57 117.98 120.98 2x18 s PHE 72 Ca 0.35 -0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.00 2x18 s PHE 72 Cb -0.20 -0.77 0.00 0.00 -0.63 0.00 0.00 43.02 41.42 2x18 s PHE 72 CO 0.22 -0.01 -0.20 0.42 -0.05 0.00 0.00 175.22 175.60 2x18 s ILE 73 N -0.40 2.31 -0.31 -4.49 1.01 0.83 -0.75 121.20 119.40 2x18 s ILE 73 Ca 0.05 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2x18 s ILE 73 Cb -0.06 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 2x18 s ILE 73 CO -0.00 0.54 0.18 -0.63 0.00 0.00 0.00 174.94 175.02 2x18 s ILE 74 N 0.67 4.92 -0.49 2.92 1.01 0.46 -1.49 121.20 129.20 2x18 s ILE 74 Ca -0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.12 2x18 s ILE 74 Cb -0.16 -3.46 0.04 0.00 0.01 0.00 0.00 42.46 38.89 2x18 s ILE 74 CO 0.02 0.11 0.80 -0.60 0.00 0.00 0.00 174.94 175.27 2x18 s ARG 75 N 1.68 3.32 -0.11 2.79 3.52 0.42 -1.11 118.95 129.46 2x18 s ARG 75 Ca 0.06 -0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.26 2x18 s ARG 75 Cb -0.17 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.17 2x18 s ARG 75 CO 0.08 -1.26 0.17 0.00 -0.81 0.00 0.00 175.30 173.48 2x18 s LEU 77 N -0.95 2.16 -0.17 0.00 2.96 -1.26 -1.07 118.68 120.36 2x18 s LEU 77 Ca 0.16 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2x18 s LEU 77 Cb -0.12 -1.40 0.08 0.00 0.50 0.00 0.00 46.19 45.24 2x18 s LEU 77 CO 0.05 0.24 0.20 -1.10 -1.32 0.00 0.00 176.35 174.42 2x18 s GLN 78 N -0.11 0.14 6.91 1.98 -0.21 -0.63 -4.90 119.66 122.84 2x18 s GLN 78 Ca -0.05 0.33 0.00 0.00 0.02 0.00 0.00 55.36 55.67 2x18 s GLN 78 Cb -0.14 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 32.97 2x18 s GLN 78 CO 0.04 -0.53 0.00 0.91 -2.12 0.00 0.00 175.29 173.59 2x18 n TRP 79 N 5.32 0.00 0.56 0.91 8.01 -1.26 -1.12 117.44 129.87 2x18 n TRP 79 Ca -0.05 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.20 2x18 n TRP 79 Cb 0.50 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.85 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 -3.03 -0.99 -2.24 -1.26 -5.02 114.28 101.74 2x18 n THR 80 Ca 0.00 -0.50 -0.40 0.00 -2.27 0.00 0.00 64.05 60.88 2x18 n THR 80 Cb 0.00 1.28 -0.05 0.00 -2.10 0.00 0.00 70.33 69.46 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 -1.12 5.01 -0.25 4.28 2.01 -0.27 -5.04 115.64 120.26 2x18 s THR 81 Ca 0.16 1.42 -0.13 0.00 0.31 0.00 0.00 61.69 63.44 2x18 s THR 81 Cb 0.11 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2x18 s THR 81 CO 0.17 0.18 0.30 -0.69 -0.69 0.00 0.00 174.62 173.89 2x18 s VAL 82 N 1.29 5.25 -0.09 3.82 1.01 -1.26 -1.60 120.40 128.83 2x18 s VAL 82 Ca 0.36 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.80 2x18 s VAL 82 Cb -0.17 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.60 2x18 s VAL 82 CO 0.15 0.24 -0.11 -0.63 0.00 0.00 0.00 175.10 174.75 2x18 s ILE 83 N 1.58 1.17 -0.15 2.22 1.01 -0.23 -4.98 121.20 121.82 2x18 s ILE 83 Ca 0.13 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 2x18 s ILE 83 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2x18 s ILE 83 CO 0.08 0.37 0.34 -1.61 0.00 0.00 0.00 174.94 174.12 2x18 s GLU 84 N 1.03 4.27 -0.05 2.79 2.02 -1.26 0.05 118.70 127.55 2x18 s GLU 84 Ca -0.07 0.17 0.06 0.00 0.02 0.00 0.00 54.97 55.15 2x18 s GLU 84 Cb -0.15 -3.44 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 2x18 s GLU 84 CO -0.01 0.20 -0.22 1.03 0.02 0.00 0.00 175.26 176.28 2x18 s ARG 85 N 0.56 2.47 -0.14 1.61 0.52 -0.27 -4.97 118.95 118.73 2x18 s ARG 85 Ca 0.19 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2x18 s ARG 85 Cb -0.13 -2.20 0.01 0.00 0.52 0.00 0.00 34.95 33.15 2x18 s ARG 85 CO 0.05 0.47 -0.20 0.99 0.02 0.00 0.00 175.30 176.63 2x18 s THR 86 N -0.37 1.95 0.14 0.02 2.01 -1.26 -0.40 115.64 117.72 2x18 s THR 86 Ca 0.03 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.19 2x18 s THR 86 Cb -0.12 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2x18 s THR 86 CO 0.02 0.53 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.95 2x18 s PHE 87 N 0.89 1.62 0.05 4.92 0.08 0.07 -0.98 117.98 124.63 2x18 s PHE 87 Ca -0.06 -0.50 -0.07 0.00 0.12 0.00 0.00 56.93 56.42 2x18 s PHE 87 Cb -0.15 -0.83 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 2x18 s PHE 87 CO -0.03 0.23 0.14 -3.38 -0.10 0.00 0.00 175.22 172.08 2x18 s HIS 88 N -1.97 0.15 0.11 0.36 -3.43 0.16 -0.90 115.29 109.77 2x18 s HIS 88 Ca 0.11 -0.45 0.01 0.00 -0.80 0.00 0.00 55.06 53.93 2x18 s HIS 88 Cb -0.06 -0.10 -0.00 0.00 -1.43 0.00 0.00 32.58 30.99 2x18 s HIS 88 CO 0.05 -0.41 0.02 1.33 -2.00 0.00 0.00 174.74 173.72 2x18 n VAL 89 N 0.61 0.00 0.75 -5.38 0.24 -0.89 -1.12 118.33 112.54 2x18 n VAL 89 Ca -0.18 -0.59 0.09 0.00 -2.04 0.00 0.00 64.34 61.62 2x18 n VAL 89 Cb 0.59 0.17 0.05 0.00 -1.47 0.00 0.00 33.84 33.18 2x18 n VAL 89 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2x18 n ASP 90 N -1.51 2.25 -3.92 -1.34 5.68 -1.26 -4.65 116.55 111.80 2x18 n ASP 90 Ca -0.03 -1.63 -0.10 0.00 -0.50 0.00 0.00 54.79 52.53 2x18 n ASP 90 Cb 0.15 0.14 -0.10 0.00 -1.14 0.00 0.00 41.12 40.17 2x18 n ASP 90 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2x18 s THR 91 N -1.63 0.11 0.37 2.12 -4.23 -1.26 -5.03 115.64 106.09 2x18 s THR 91 Ca 0.19 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.88 2x18 s THR 91 Cb 0.15 -0.57 0.15 0.00 1.34 0.00 0.00 72.50 73.57 2x18 s THR 91 CO 0.28 -0.50 1.89 1.55 -0.54 0.00 0.00 174.62 177.31 2x18 h PRO 92 N 4.13 0.28 -0.58 3.99 0.13 -1.95 -2.36 132.00 135.65 2x18 h PRO 92 Ca -0.32 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2x18 h PRO 92 Cb 1.19 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 2x18 h PRO 92 CO 0.44 0.42 0.15 0.93 -0.23 0.00 0.00 178.00 179.71 2x18 h GLU 93 N 0.26 0.92 -0.62 0.86 3.07 -1.99 -0.75 114.58 116.33 2x18 h GLU 93 Ca 0.05 -0.22 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 2x18 h GLU 93 Cb 0.40 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 2x18 h GLU 93 CO 0.02 0.85 0.15 1.49 -1.40 0.00 0.00 179.01 180.12 2x18 h GLU 94 N 0.83 1.00 -0.62 2.33 4.57 -1.93 -1.74 114.58 119.01 2x18 h GLU 94 Ca 0.18 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2x18 h GLU 94 Cb 0.33 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 2x18 h GLU 94 CO 0.00 0.91 0.30 -0.09 -1.18 0.00 0.00 179.01 178.95 2x18 h ARG 95 N 0.91 0.89 -0.23 1.92 2.43 -1.10 -2.54 114.38 116.66 2x18 h ARG 95 Ca 0.19 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2x18 h ARG 95 Cb 0.36 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 2x18 h ARG 95 CO 0.00 0.72 -0.20 1.49 -1.51 0.00 0.00 179.97 180.47 2x18 h GLU 96 N 0.85 0.41 -0.29 0.20 4.57 -0.80 -0.14 114.58 119.38 2x18 h GLU 96 Ca 0.21 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2x18 h GLU 96 Cb 0.12 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2x18 h GLU 96 CO -0.03 0.60 0.10 0.93 -1.18 0.00 0.00 179.01 179.44 2x18 h GLU 97 N 0.37 0.23 0.08 1.92 5.08 -1.05 0.28 114.58 121.49 2x18 h GLU 97 Ca 0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2x18 h GLU 97 Cb 0.57 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2x18 h GLU 97 CO 0.04 0.15 -0.04 -1.49 -1.00 0.00 0.00 179.01 176.67 2x18 h TRP 98 N 0.24 -0.09 -0.20 4.33 4.06 -0.97 -0.66 115.95 122.65 2x18 h TRP 98 Ca 0.13 -0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.98 2x18 h TRP 98 Cb 0.10 0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 2x18 h TRP 98 CO -0.13 0.09 -0.30 1.79 -3.56 0.00 0.00 178.44 176.33 2x18 h THR 99 N -0.26 1.27 0.13 1.49 1.35 -0.95 0.28 112.91 116.22 2x18 h THR 99 Ca -0.01 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.51 2x18 h THR 99 Cb 0.22 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2x18 h THR 99 CO 0.02 0.41 -0.06 -0.33 -0.25 0.00 0.00 175.52 175.31 2x18 h GLU 100 N 0.35 -0.17 -0.36 4.72 5.08 -0.91 -2.12 114.58 121.18 2x18 h GLU 100 Ca 0.05 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2x18 h GLU 100 Cb 0.71 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2x18 h GLU 100 CO 0.05 0.01 0.21 0.00 -1.00 0.00 0.00 179.01 178.29 2x18 h ALA 101 N 0.54 0.45 -0.14 3.43 0.00 -0.79 -0.41 119.26 122.33 2x18 h ALA 101 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2x18 h ALA 101 Cb 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2x18 h ALA 101 CO 0.03 -0.13 0.08 0.82 0.00 0.00 0.00 179.25 180.06 2x18 h ILE 102 N 0.44 1.07 -0.49 0.00 2.04 -0.98 -1.20 117.51 118.38 2x18 h ILE 102 Ca 0.14 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2x18 h ILE 102 Cb -0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2x18 h ILE 102 CO -0.06 0.06 0.09 -0.61 0.00 0.00 0.00 178.15 177.64 2x18 h GLN 103 N 0.16 0.76 -0.33 2.37 5.75 -1.18 -1.12 115.11 121.52 2x18 h GLN 103 Ca 0.05 -0.16 -0.12 0.00 -0.15 0.00 0.00 58.65 58.27 2x18 h GLN 103 Cb 0.03 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.45 2x18 h GLN 103 CO -0.01 0.71 -0.30 0.00 -2.65 0.00 0.00 178.83 176.58 2x18 h ALA 104 N 1.37 0.86 -0.19 3.38 0.00 -0.76 0.46 119.26 124.37 2x18 h ALA 104 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2x18 h ALA 104 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2x18 h ALA 104 CO 0.00 0.63 -0.01 0.28 0.00 0.00 0.00 179.25 180.16 2x18 h VAL 105 N 0.60 1.26 -0.98 0.00 2.07 -0.98 -1.49 116.25 116.73 2x18 h VAL 105 Ca 0.07 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2x18 h VAL 105 Cb 0.81 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.99 2x18 h VAL 105 CO 0.07 0.27 0.64 0.00 0.02 0.00 0.00 177.57 178.57 2x18 h ALA 106 N 0.77 1.40 -0.45 1.67 0.00 -1.01 -0.80 119.26 120.84 2x18 h ALA 106 Ca 0.05 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2x18 h ALA 106 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2x18 h ALA 106 CO 0.01 0.49 -0.24 -0.44 0.00 0.00 0.00 179.25 179.07 2x18 h ASP 107 N 1.19 0.98 -0.55 0.00 3.32 -0.63 -1.16 116.42 119.57 2x18 h ASP 107 Ca 0.40 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 2x18 h ASP 107 Cb 0.08 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2x18 h ASP 107 CO -0.14 1.16 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.38 2x18 h ARG 108 N 0.81 1.03 -0.69 3.56 2.43 -0.80 -1.80 114.38 118.91 2x18 h ARG 108 Ca 0.10 -0.36 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 2x18 h ARG 108 Cb 0.81 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2x18 h ARG 108 CO 0.07 1.04 0.15 -0.07 -1.51 0.00 0.00 179.97 179.65 2x18 h LEU 109 N 0.92 1.07 -0.54 3.80 3.38 -0.91 -0.95 115.31 122.08 2x18 h LEU 109 Ca 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2x18 h LEU 109 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2x18 h LEU 109 CO 0.04 1.04 0.23 -0.61 0.09 0.00 0.00 178.44 179.23 2x18 h GLN 110 N 1.06 0.79 -0.59 1.13 5.75 -0.96 -1.27 115.11 121.01 2x18 h GLN 110 Ca 0.22 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.56 2x18 h GLN 110 Cb 0.40 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2x18 h GLN 110 CO 0.01 0.68 0.29 0.00 -2.65 0.00 0.00 178.83 177.16 2x18 h ARG 111 N 0.73 0.84 -0.78 1.69 -0.00 -1.11 -0.82 114.38 114.93 2x18 h ARG 111 Ca 0.18 -0.12 0.01 0.00 -0.50 0.00 0.00 59.98 59.55 2x18 h ARG 111 Cb 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 29.97 29.95 2x18 h ARG 111 CO -0.02 0.68 0.51 1.96 0.00 0.00 0.00 179.97 183.10 2x18 h GLN 112 N 0.80 1.01 -0.76 0.04 4.20 -0.89 -0.41 115.11 119.10 2x18 h GLN 112 Ca 0.20 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2x18 h GLN 112 Cb 0.11 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 2x18 h GLN 112 CO -0.03 0.67 0.29 1.49 -0.67 0.00 0.00 178.83 180.58 2x18 h GLU 113 N 1.04 1.14 -0.55 1.46 4.57 -0.83 -1.51 114.58 119.89 2x18 h GLU 113 Ca 0.29 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 2x18 h GLU 113 Cb -0.09 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.30 2x18 h GLU 113 CO -0.07 0.93 0.05 0.93 -1.18 0.00 0.00 179.01 179.67 2x18 h GLU 114 N 1.10 0.90 -0.18 1.92 5.08 -0.55 -2.26 114.58 120.58 2x18 h GLU 114 Ca 0.25 -0.23 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2x18 h GLU 114 Cb 0.23 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2x18 h GLU 114 CO -0.02 0.86 -0.23 0.93 -1.00 0.00 0.00 179.01 179.55 2x18 h GLU 115 N 0.84 0.33 -0.55 2.33 5.08 -0.87 -2.31 114.58 119.43 2x18 h GLU 115 Ca 0.17 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2x18 h GLU 115 Cb 0.43 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2x18 h GLU 115 CO 0.01 0.55 0.14 0.00 -1.00 0.00 0.00 179.01 178.71 2x18 h ARG 116 N 0.29 0.88 0.00 2.33 2.47 -0.70 -3.11 114.38 116.55 2x18 h ARG 116 Ca 0.05 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.49 2x18 h ARG 116 Cb 0.58 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2x18 h ARG 116 CO 0.04 0.82 -0.35 0.52 0.56 0.00 0.00 179.97 181.57 2x18 h MET 117 N 0.78 0.00 0.00 0.04 2.86 -1.43 -3.52 114.93 113.67 2x18 h MET 117 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 2x18 h MET 117 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2x18 h MET 117 CO 0.00 0.35 0.00 0.09 1.06 0.00 0.00 176.91 178.41