#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 1.13 -0.18 2.52 -4.23 -1.26 -4.94 115.64 108.68 2x18 s THR 5 Ca 0.00 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.24 2x18 s THR 5 Cb 0.00 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 2x18 s THR 5 CO 0.00 -0.40 0.67 -0.63 -0.54 0.00 0.00 174.62 173.73 2x18 s ILE 6 N -3.36 5.00 -0.06 2.99 1.01 -1.26 -1.16 121.20 124.36 2x18 s ILE 6 Ca 0.26 1.30 -0.09 0.00 0.00 0.00 0.00 60.65 62.12 2x18 s ILE 6 Cb 0.05 -3.99 -0.29 0.00 0.01 0.00 0.00 42.46 38.23 2x18 s ILE 6 CO 0.08 0.11 0.62 0.58 0.00 0.00 0.00 174.94 176.33 2x18 h VAL 7 N 5.13 0.88 -2.25 2.92 2.07 -1.24 -3.48 116.25 120.28 2x18 h VAL 7 Ca -0.32 -2.50 -0.07 0.00 0.82 0.00 0.00 66.70 64.63 2x18 h VAL 7 Cb 1.15 2.70 -0.20 0.00 -1.52 0.00 0.00 31.29 33.42 2x18 h VAL 7 CO 0.78 0.86 0.05 -0.75 0.02 0.00 0.00 177.57 178.54 2x18 s LYS 8 N -2.58 0.87 0.01 1.57 2.20 -1.22 -5.03 119.74 115.57 2x18 s LYS 8 Ca -0.17 0.41 -0.04 0.00 -0.36 0.00 0.00 55.97 55.82 2x18 s LYS 8 Cb 0.06 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 2x18 s LYS 8 CO 0.84 -0.22 0.05 -1.83 -0.36 0.00 0.00 175.35 173.83 2x18 s GLU 9 N -0.65 0.41 0.00 4.03 -1.05 -1.26 -1.02 118.70 119.16 2x18 s GLU 9 Ca -0.07 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.21 2x18 s GLU 9 Cb -0.02 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 2x18 s GLU 9 CO 0.06 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.59 2x18 n GLY 10 N 1.45 0.63 3.74 -3.83 0.00 -0.37 -5.00 105.19 101.81 2x18 n GLY 10 Ca -0.23 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 3.86 0.11 1.61 0.52 -1.26 -1.33 118.94 120.45 2x18 s TRP 11 Ca 0.00 1.79 0.01 0.00 0.02 0.00 0.00 56.10 57.92 2x18 s TRP 11 Cb 0.00 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.29 2x18 s TRP 11 CO 0.00 0.31 -0.04 0.14 0.02 0.00 0.00 176.95 177.38 2x18 s VAL 12 N -0.44 0.58 -0.15 4.03 -7.23 -0.25 -4.96 120.40 111.98 2x18 s VAL 12 Ca 0.43 -1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 2x18 s VAL 12 Cb -0.24 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.88 2x18 s VAL 12 CO 0.29 -0.78 0.20 -1.10 -0.31 0.00 0.00 175.10 173.40 2x18 s GLN 13 N -3.88 3.99 -0.04 4.82 -1.52 -0.46 -1.14 119.66 121.42 2x18 s GLN 13 Ca 0.14 -0.07 0.04 0.00 -1.95 0.00 0.00 55.36 53.53 2x18 s GLN 13 Cb 0.06 -3.35 -0.00 0.00 -0.22 0.00 0.00 33.01 29.50 2x18 s GLN 13 CO -0.03 0.44 -0.15 0.21 -0.25 0.00 0.00 175.29 175.50 2x18 s LYS 14 N -0.09 1.66 0.23 2.91 2.20 -0.11 -0.63 119.74 125.91 2x18 s LYS 14 Ca 0.13 -0.55 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 2x18 s LYS 14 Cb -0.12 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.67 2x18 s LYS 14 CO 0.02 0.20 1.27 1.03 -0.36 0.00 0.00 175.35 177.51 2x18 s ARG 15 N 0.12 4.43 0.82 4.03 0.52 -0.38 -1.26 118.95 127.22 2x18 s ARG 15 Ca -0.05 2.03 -0.12 0.00 -0.52 0.00 0.00 55.73 57.07 2x18 s ARG 15 Cb -0.11 -3.18 0.09 0.00 0.52 0.00 0.00 34.95 32.26 2x18 s ARG 15 CO 0.02 -0.17 1.14 0.20 0.02 0.00 0.00 175.30 176.52 2x18 s GLY 16 N 0.03 1.85 0.02 -3.53 0.00 -0.77 -4.72 107.32 100.21 2x18 s GLY 16 Ca 0.53 0.55 0.23 0.00 0.00 0.00 0.00 44.72 46.04 2x18 s GLY 16 CO 0.41 0.94 1.14 1.18 0.00 0.00 0.00 173.10 176.77 2x18 n GLU 17 N -3.59 0.09 -0.04 2.90 1.02 -1.26 -4.16 120.64 115.61 2x18 n GLU 17 Ca 0.11 -0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.20 2x18 n GLU 17 Cb 0.52 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.39 2x18 n GLU 17 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2x18 n TYR 18 N -1.65 0.00 -3.25 -0.32 4.01 -1.26 -4.94 117.16 109.75 2x18 n TYR 18 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 2x18 n TYR 18 Cb 0.37 -0.26 -0.06 0.00 -0.31 0.00 0.00 39.34 39.07 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 -2.24 5.11 -2.02 -0.72 1.01 -1.26 -4.98 121.20 116.10 2x18 s ILE 19 Ca -0.15 0.98 0.31 0.00 0.00 0.00 0.00 60.65 61.79 2x18 s ILE 19 Cb 0.02 -3.85 0.88 0.00 0.01 0.00 0.00 42.46 39.53 2x18 s ILE 19 CO 0.23 0.20 2.19 0.29 0.00 0.00 0.00 174.94 177.84 2x18 n LYS 20 N 4.61 1.03 -1.51 2.79 5.02 -1.26 -2.80 118.16 126.04 2x18 n LYS 20 Ca -0.05 -0.04 -0.37 0.00 -2.02 0.00 0.00 58.31 55.83 2x18 n LYS 20 Cb 0.51 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 34.08 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 -0.95 -0.12 -4.73 4.39 3.02 -1.26 -3.77 115.26 111.84 2x18 n ASN 21 Ca 0.23 0.74 -0.41 0.00 -0.03 0.00 0.00 54.58 55.11 2x18 n ASN 21 Cb 0.12 -1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 37.95 2x18 n ASN 21 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2x18 s TRP 22 N -1.66 3.59 0.03 3.10 0.52 -1.26 -1.85 118.94 121.41 2x18 s TRP 22 Ca 0.72 1.57 0.03 0.00 0.02 0.00 0.00 56.10 58.44 2x18 s TRP 22 Cb -0.41 -3.28 -0.02 0.00 -1.15 0.00 0.00 33.47 28.62 2x18 s TRP 22 CO 0.51 -0.63 -0.08 1.03 0.02 0.00 0.00 176.95 177.79 2x18 s ARG 23 N -0.05 0.57 0.27 4.98 0.52 -0.39 -4.92 118.95 119.94 2x18 s ARG 23 Ca 0.51 -0.60 -0.29 0.00 -0.52 0.00 0.00 55.73 54.83 2x18 s ARG 23 Cb -0.29 -0.45 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 2x18 s ARG 23 CO 0.33 0.10 1.18 -1.25 0.02 0.00 0.00 175.30 175.69 2x18 s PRO 24 N -1.09 4.52 0.01 3.54 0.04 -1.26 -0.94 135.00 139.82 2x18 s PRO 24 Ca -0.04 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 2x18 s PRO 24 Cb -0.07 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.29 2x18 s PRO 24 CO 0.00 0.02 0.03 1.03 0.04 0.00 0.00 177.00 178.13 2x18 s ARG 25 N -1.22 0.28 -0.34 4.56 1.81 -0.30 -4.84 118.95 118.91 2x18 s ARG 25 Ca 0.48 -0.38 -0.11 0.00 -1.72 0.00 0.00 55.73 54.00 2x18 s ARG 25 Cb -0.34 0.11 -0.00 0.00 -0.45 0.00 0.00 34.95 34.26 2x18 s ARG 25 CO 0.43 -0.05 0.20 -0.47 -0.68 0.00 0.00 175.30 174.73 2x18 s TYR 26 N -1.04 3.21 0.03 -0.53 5.04 -0.10 -1.09 117.35 122.87 2x18 s TYR 26 Ca -0.11 -0.54 0.03 0.00 -2.44 0.00 0.00 57.07 54.01 2x18 s TYR 26 Cb -0.07 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.78 2x18 s TYR 26 CO -0.00 -0.48 -0.02 -0.06 -1.34 0.00 0.00 175.55 173.65 2x18 s PHE 27 N 1.64 2.99 -0.13 4.97 0.40 -0.44 -0.71 117.98 126.70 2x18 s PHE 27 Ca 0.05 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 2x18 s PHE 27 Cb -0.18 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.75 2x18 s PHE 27 CO 0.08 0.44 -0.22 -0.51 0.70 0.00 0.00 175.22 175.71 2x18 s LEU 28 N -1.76 2.08 -0.23 -0.37 1.02 0.13 -1.24 118.68 118.32 2x18 s LEU 28 Ca 0.21 -0.59 -0.08 0.00 0.02 0.00 0.00 54.13 53.69 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 0.12 0.09 0.08 -0.22 0.02 0.00 0.00 176.35 176.44 2x18 s LEU 29 N 0.75 3.64 0.28 1.79 2.96 -0.19 -0.89 118.68 127.02 2x18 s LEU 29 Ca -0.09 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.83 2x18 s LEU 29 Cb -0.16 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 2x18 s LEU 29 CO -0.00 0.04 0.06 -0.54 -1.32 0.00 0.00 176.35 174.59 2x18 s LYS 30 N 1.16 2.42 0.44 1.98 1.02 -0.36 -0.69 119.74 125.72 2x18 s LYS 30 Ca 0.05 -1.37 0.30 0.00 0.02 0.00 0.00 55.97 54.97 2x18 s LYS 30 Cb -0.14 -2.24 1.51 0.00 -0.52 0.00 0.00 37.83 36.44 2x18 s LYS 30 CO 0.04 0.33 1.92 1.79 -0.92 0.00 0.00 175.35 178.50 2x18 h THR 31 N 1.76 0.00 -0.20 2.17 1.35 -1.46 -0.98 112.91 115.55 2x18 h THR 31 Ca -0.45 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2x18 h THR 31 Cb 1.25 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2x18 h THR 31 CO 0.61 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.98 2x18 n ASP 32 N -2.62 1.46 0.00 5.36 5.75 -1.26 -4.86 116.55 120.38 2x18 n ASP 32 Ca -0.01 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 2x18 n ASP 32 Cb 0.13 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 1.03 1.13 3.76 6.12 0.00 -0.37 -4.97 105.19 111.90 2x18 n GLY 33 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.39 7.00 -0.27 1.61 1.04 -1.25 -1.27 113.70 118.17 2x18 s SER 34 Ca 0.00 2.44 0.00 0.00 0.48 0.00 0.00 55.95 58.87 2x18 s SER 34 Cb 0.00 -2.63 0.08 0.00 0.10 0.00 0.00 66.02 63.57 2x18 s SER 34 CO 0.00 -0.35 0.03 0.12 0.98 0.00 0.00 173.24 174.02 2x18 s PHE 35 N -1.18 2.09 -0.15 5.02 5.36 -0.02 -1.22 117.98 127.88 2x18 s PHE 35 Ca 0.47 -1.77 0.01 0.00 -0.96 0.00 0.00 56.93 54.69 2x18 s PHE 35 Cb -0.35 -1.72 0.01 0.00 -0.34 0.00 0.00 43.02 40.61 2x18 s PHE 35 CO 0.45 -0.81 -0.18 0.42 -1.46 0.00 0.00 175.22 173.64 2x18 s ILE 36 N 1.49 2.36 -0.03 3.12 1.01 -0.07 -2.05 121.20 127.03 2x18 s ILE 36 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.85 2x18 s ILE 36 Cb -0.18 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2x18 s ILE 36 CO -0.14 0.53 -0.12 -0.83 0.00 0.00 0.00 174.94 174.38 2x18 s GLY 37 N 0.90 1.62 0.16 6.18 0.00 -0.29 -0.69 107.32 115.19 2x18 s GLY 37 Ca -0.04 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.73 2x18 s GLY 37 CO -0.03 -0.82 -0.12 -0.19 0.00 0.00 0.00 173.10 171.94 2x18 s TYR 38 N -0.83 1.42 0.43 1.90 2.02 0.11 -0.45 117.35 121.94 2x18 s TYR 38 Ca 0.13 -0.66 0.14 0.00 -0.37 0.00 0.00 57.07 56.31 2x18 s TYR 38 Cb -0.11 -0.70 0.94 0.00 -0.40 0.00 0.00 41.96 41.69 2x18 s TYR 38 CO 0.03 0.17 1.96 -0.22 -1.57 0.00 0.00 175.55 175.92 2x18 h LYS 39 N 2.87 0.01 -4.07 -0.62 3.64 -1.87 -0.25 116.57 116.29 2x18 h LYS 39 Ca -0.38 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.87 2x18 h LYS 39 Cb 1.20 -0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.88 2x18 h LYS 39 CO 0.60 0.22 -0.44 -1.21 -2.27 0.00 0.00 179.45 176.36 2x18 s GLU 40 N -4.56 1.06 -0.01 1.90 2.02 -1.26 -4.69 118.70 113.15 2x18 s GLU 40 Ca -0.04 -1.26 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 2x18 s GLU 40 Cb 0.15 0.33 -0.07 0.00 0.10 0.00 0.00 34.13 34.64 2x18 s GLU 40 CO 0.70 -0.36 1.81 0.21 0.02 0.00 0.00 175.26 177.64 2x18 s LYS 41 N -3.99 4.15 0.44 1.61 2.20 -1.26 -4.71 119.74 118.18 2x18 s LYS 41 Ca 0.19 2.39 0.12 0.00 -0.36 0.00 0.00 55.97 58.31 2x18 s LYS 41 Cb 0.05 -4.07 0.99 0.00 -1.51 0.00 0.00 37.83 33.28 2x18 s LYS 41 CO 0.00 -0.91 2.02 -1.00 -0.36 0.00 0.00 175.35 175.10 2x18 h PRO 42 N 10.10 0.14 -0.02 4.03 0.13 -1.93 -0.09 132.00 144.36 2x18 h PRO 42 Ca -0.44 -0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 2x18 h PRO 42 Cb 1.21 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2x18 h PRO 42 CO 0.95 0.22 0.02 1.96 -0.23 0.00 0.00 178.00 180.92 2x18 h GLN 43 N 0.14 0.00 -0.04 0.86 7.50 -2.02 -2.54 115.11 119.01 2x18 h GLN 43 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 2x18 h GLN 43 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.73 2x18 h GLN 43 CO 0.01 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 177.09 2x18 n ASP 44 N -3.98 0.75 -4.07 1.46 9.92 -0.05 -4.90 116.55 115.70 2x18 n ASP 44 Ca -0.02 -1.40 -0.10 0.00 -0.53 0.00 0.00 54.79 52.74 2x18 n ASP 44 Cb 0.11 -0.02 -0.11 0.00 -0.64 0.00 0.00 41.12 40.46 2x18 n ASP 44 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2x18 s VAL 45 N -1.95 0.39 0.16 2.53 -7.23 -0.96 -5.03 120.40 108.31 2x18 s VAL 45 Ca 0.37 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2x18 s VAL 45 Cb 0.18 -0.89 -0.11 0.00 0.56 0.00 0.00 36.38 36.12 2x18 s VAL 45 CO 0.30 -0.63 1.41 -2.24 -0.31 0.00 0.00 175.10 173.63 2x18 h ASP 46 N 3.99 0.63 -2.55 4.85 -0.00 -1.90 -3.40 116.42 118.03 2x18 h ASP 46 Ca -0.34 -0.40 -0.60 0.00 -0.00 0.00 0.00 57.03 55.68 2x18 h ASP 46 Cb 1.19 -0.19 -0.41 0.00 -0.00 0.00 0.00 39.33 39.92 2x18 h ASP 46 CO 0.50 1.15 -0.68 0.00 -0.00 0.00 0.00 179.24 180.21 2x18 n LEU 47 N -3.88 2.61 -4.76 0.15 -0.00 -1.26 -5.10 117.00 104.75 2x18 n LEU 47 Ca -0.05 -5.15 -0.40 0.00 -0.00 0.00 0.00 56.01 50.41 2x18 n LEU 47 Cb 0.70 -0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 43.66 2x18 n LEU 47 CO 0.49 1.92 0.83 -2.16 -0.00 0.00 0.00 177.39 178.47 2x18 s PRO 48 N -1.65 4.46 -0.05 1.47 0.04 -1.26 -5.04 135.00 132.97 2x18 s PRO 48 Ca 0.33 1.87 -0.02 0.00 0.04 0.00 0.00 61.00 63.21 2x18 s PRO 48 Cb 0.06 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.60 2x18 s PRO 48 CO -0.11 0.03 0.08 0.71 0.04 0.00 0.00 177.00 177.75 2x18 s TYR 49 N -1.24 0.02 0.23 0.56 4.12 -1.26 -5.12 117.35 114.65 2x18 s TYR 49 Ca 0.48 0.32 -0.30 0.00 0.02 0.00 0.00 57.07 57.60 2x18 s TYR 49 Cb -0.32 -0.44 -0.09 0.00 -1.52 0.00 0.00 41.96 39.58 2x18 s TYR 49 CO 0.42 -0.21 1.34 -2.14 0.02 0.00 0.00 175.55 174.99 2x18 s PRO 50 N 2.19 4.36 0.16 -1.71 0.02 -1.26 -4.62 135.00 134.14 2x18 s PRO 50 Ca 0.05 2.13 0.23 0.00 0.02 0.00 0.00 61.00 63.43 2x18 s PRO 50 Cb -0.12 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2x18 s PRO 50 CO -0.04 -0.29 0.99 1.28 -0.33 0.00 0.00 177.00 178.62 2x18 n LEU 51 N 2.36 0.73 -3.85 -5.54 4.77 0.40 -4.94 117.00 110.94 2x18 n LEU 51 Ca 0.06 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2x18 n LEU 51 Cb 0.42 -0.06 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 2x18 n LEU 51 CO 0.59 -0.15 -0.25 0.20 -1.33 0.00 0.00 177.39 176.45 2x18 s ASN 52 N -5.11 -0.07 -0.28 -1.43 -0.87 -0.93 -4.95 114.94 101.30 2x18 s ASN 52 Ca -0.01 0.11 -0.02 0.00 -1.57 0.00 0.00 52.86 51.38 2x18 s ASN 52 Cb 0.11 0.20 0.17 0.00 -0.02 0.00 0.00 41.25 41.70 2x18 s ASN 52 CO 0.80 -0.09 0.52 0.21 -2.57 0.00 0.00 177.10 175.98 2x18 s ASN 53 N -0.19 -0.82 0.11 -1.22 2.47 -1.26 -1.14 114.94 112.89 2x18 s ASN 53 Ca -0.03 0.65 -0.04 0.00 0.42 0.00 0.00 52.86 53.86 2x18 s ASN 53 Cb -0.02 1.80 -0.03 0.00 -1.45 0.00 0.00 41.25 41.56 2x18 s ASN 53 CO 0.00 -0.27 0.12 0.72 -3.72 0.00 0.00 177.10 173.95 2x18 s PHE 54 N 2.75 0.54 0.06 0.43 -0.12 -0.87 -4.98 117.98 115.80 2x18 s PHE 54 Ca 0.18 -0.96 -0.14 0.00 -0.05 0.00 0.00 56.93 55.96 2x18 s PHE 54 Cb -0.15 -0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 41.90 2x18 s PHE 54 CO -0.19 -0.54 0.45 0.45 -0.05 0.00 0.00 175.22 175.33 2x18 s SER 55 N -2.97 6.79 0.00 1.98 0.15 -1.26 -0.84 113.70 117.55 2x18 s SER 55 Ca 0.15 0.97 0.19 0.00 0.70 0.00 0.00 55.95 57.96 2x18 s SER 55 Cb 0.06 -2.25 0.53 0.00 -1.71 0.00 0.00 66.02 62.65 2x18 s SER 55 CO -0.03 0.23 1.43 1.33 1.20 0.00 0.00 173.24 177.40 2x18 n VAL 56 N 1.35 0.53 -1.68 4.45 0.24 -0.40 -4.93 118.33 117.88 2x18 n VAL 56 Ca -0.10 -0.63 -0.45 0.00 -2.04 0.00 0.00 64.34 61.12 2x18 n VAL 56 Cb 0.52 0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 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 0.98 1.46 -1.33 2.33 0.00 -1.26 -1.87 120.51 120.82 2x18 n ALA 57 Ca 0.18 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.93 2x18 n ALA 57 Cb 0.46 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.52 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 2.83 -1.36 -1.35 0.00 5.02 -1.26 -4.71 118.16 117.33 2x18 n LYS 58 Ca 0.14 0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 57.00 2x18 n LYS 58 Cb 0.31 -5.11 0.10 0.00 -0.02 0.00 0.00 35.03 30.30 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 -4.98 2.28 -0.04 0.00 -0.21 0.03 -4.96 119.66 111.77 2x18 s GLN 60 Ca 0.61 -1.05 0.03 0.00 0.02 0.00 0.00 55.36 54.97 2x18 s GLN 60 Cb -0.16 -2.34 0.00 0.00 1.00 0.00 0.00 33.01 31.51 2x18 s GLN 60 CO 0.56 0.49 -0.13 -0.51 -2.12 0.00 0.00 175.29 173.57 2x18 s LEU 61 N -2.55 1.83 -0.03 2.90 1.43 -1.26 -0.74 118.68 120.26 2x18 s LEU 61 Ca 0.25 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2x18 s LEU 61 Cb -0.10 -0.79 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2x18 s LEU 61 CO 0.16 0.10 -0.15 -0.04 0.23 0.00 0.00 176.35 176.66 2x18 s MET 62 N 0.18 1.41 -0.11 1.70 -1.94 -0.66 -4.99 119.30 114.89 2x18 s MET 62 Ca -0.05 -0.52 -0.00 0.00 -1.71 0.00 0.00 55.69 53.40 2x18 s MET 62 Cb -0.11 -1.29 -0.02 0.00 2.01 0.00 0.00 34.83 35.42 2x18 s MET 62 CO 0.02 0.25 -0.10 0.15 -0.01 0.00 0.00 175.02 175.33 2x18 s LYS 63 N -0.08 3.21 0.13 2.03 1.02 -1.26 -0.34 119.74 124.45 2x18 s LYS 63 Ca 0.00 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.34 2x18 s LYS 63 Cb -0.09 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2x18 s LYS 63 CO 0.01 0.36 0.08 0.99 -0.92 0.00 0.00 175.35 175.87 2x18 s THR 64 N -0.00 0.10 -0.15 2.17 2.01 -0.58 -5.01 115.64 114.17 2x18 s THR 64 Ca -0.02 -1.83 0.02 0.00 0.31 0.00 0.00 61.69 60.17 2x18 s THR 64 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 2x18 s THR 64 CO 0.04 -0.46 0.24 -0.62 -0.69 0.00 0.00 174.62 173.13 2x18 n GLU 65 N -0.10 4.02 -4.47 4.92 -0.58 -1.26 -1.82 120.64 121.34 2x18 n GLU 65 Ca -0.06 -0.21 -0.20 0.00 -0.42 0.00 0.00 57.16 56.27 2x18 n GLU 65 Cb 0.63 -0.74 -0.14 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.85 0.95 0.54 3.49 1.81 -1.26 -2.35 118.95 121.27 2x18 s ARG 66 Ca 0.01 -0.53 0.31 0.00 -1.72 0.00 0.00 55.73 53.81 2x18 s ARG 66 Cb 0.02 -0.92 1.48 0.00 -0.45 0.00 0.00 34.95 35.07 2x18 s ARG 66 CO 0.06 0.25 2.05 -1.00 -0.68 0.00 0.00 175.30 175.97 2x18 h PRO 67 N 5.56 0.00 -5.68 3.54 0.13 -2.04 -3.49 132.00 130.01 2x18 h PRO 67 Ca -0.34 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.11 2x18 h PRO 67 Cb 1.17 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.03 2x18 h PRO 67 CO 0.47 0.09 -0.79 0.15 -0.23 0.00 0.00 178.00 177.69 2x18 s LYS 68 N -3.93 3.01 0.71 0.86 -0.14 -1.22 -5.11 119.74 113.92 2x18 s LYS 68 Ca -0.01 -0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 53.70 2x18 s LYS 68 Cb 0.11 -2.47 0.01 0.00 -1.68 0.00 0.00 37.83 33.81 2x18 s LYS 68 CO 0.56 0.34 1.12 -2.30 -0.76 0.00 0.00 175.35 174.31 2x18 n PRO 69 N 3.13 0.67 -2.79 -1.68 -0.02 -0.99 -3.39 135.00 129.93 2x18 n PRO 69 Ca -0.18 0.29 -0.19 0.00 -2.02 0.00 0.00 63.50 61.40 2x18 n PRO 69 Cb 0.52 -2.37 0.02 0.00 -0.02 0.00 0.00 33.50 31.66 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 -2.01 -5.40 -4.76 2.55 3.02 -1.24 -4.57 115.26 102.84 2x18 n ASN 70 Ca 0.14 -0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.09 2x18 n ASN 70 Cb 0.49 -4.28 -0.06 0.00 -0.61 0.00 0.00 39.78 35.32 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 -3.05 4.21 -0.02 3.41 2.01 -0.76 -2.28 115.64 119.16 2x18 s THR 71 Ca 0.21 1.91 0.03 0.00 0.31 0.00 0.00 61.69 64.15 2x18 s THR 71 Cb -0.09 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.17 2x18 s THR 71 CO 0.26 0.51 -0.12 0.72 -0.69 0.00 0.00 174.62 175.30 2x18 s PHE 72 N -1.15 1.15 -0.14 4.92 -0.12 -0.08 -1.53 117.98 121.04 2x18 s PHE 72 Ca 0.39 -0.28 -0.00 0.00 -0.05 0.00 0.00 56.93 56.98 2x18 s PHE 72 Cb -0.25 -0.79 -0.01 0.00 -0.63 0.00 0.00 43.02 41.34 2x18 s PHE 72 CO 0.29 -0.09 -0.13 0.42 -0.05 0.00 0.00 175.22 175.67 2x18 s ILE 73 N 0.02 3.03 -0.19 -4.49 1.01 0.54 -0.79 121.20 120.33 2x18 s ILE 73 Ca -0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 2x18 s ILE 73 Cb -0.08 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2x18 s ILE 73 CO 0.01 0.52 0.03 -0.63 0.00 0.00 0.00 174.94 174.86 2x18 s ILE 74 N 0.44 4.33 -0.20 2.92 1.01 0.21 -1.66 121.20 128.24 2x18 s ILE 74 Ca -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.33 2x18 s ILE 74 Cb -0.16 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.35 2x18 s ILE 74 CO 0.05 0.44 -0.04 -0.60 0.00 0.00 0.00 174.94 174.79 2x18 s ARG 75 N 0.70 3.44 0.22 2.79 3.52 0.08 -1.29 118.95 128.40 2x18 s ARG 75 Ca 0.01 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 55.03 2x18 s ARG 75 Cb -0.14 -2.98 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 2x18 s ARG 75 CO 0.02 -0.10 0.02 0.00 -0.81 0.00 0.00 175.30 174.43 2x18 s LEU 77 N -3.28 3.28 -0.44 0.00 1.02 -1.26 -1.77 118.68 116.23 2x18 s LEU 77 Ca 0.29 -1.05 -0.19 0.00 0.02 0.00 0.00 54.13 53.20 2x18 s LEU 77 Cb 0.06 -1.63 0.03 0.00 0.02 0.00 0.00 46.19 44.67 2x18 s LEU 77 CO 0.09 -0.15 0.56 0.00 0.02 0.00 0.00 176.35 176.86 2x18 s GLN 78 N 1.26 3.19 5.81 1.70 0.00 0.35 -4.79 119.66 127.18 2x18 s GLN 78 Ca -0.03 -0.59 0.00 0.00 -0.00 0.00 0.00 55.36 54.75 2x18 s GLN 78 Cb -0.18 -3.98 0.00 0.00 0.00 0.00 0.00 33.01 28.86 2x18 s GLN 78 CO -0.05 -0.98 0.00 0.91 0.00 0.00 0.00 175.29 175.17 2x18 n TRP 79 N 6.00 0.00 0.45 9.60 8.01 -1.26 -0.69 117.44 139.55 2x18 n TRP 79 Ca -0.04 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.20 2x18 n TRP 79 Cb 0.47 0.00 0.04 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 -2.72 -0.99 -2.24 -1.26 -5.02 114.28 102.05 2x18 n THR 80 Ca 0.00 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 2x18 n THR 80 Cb 0.00 1.21 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.98 4.82 -0.19 4.28 2.01 0.13 -4.98 115.64 120.73 2x18 s THR 81 Ca 0.12 2.00 -0.21 0.00 0.31 0.00 0.00 61.69 63.91 2x18 s THR 81 Cb 0.09 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 2x18 s THR 81 CO 0.15 0.04 0.65 -0.69 -0.69 0.00 0.00 174.62 174.09 2x18 s VAL 82 N 1.78 5.01 -0.07 3.82 1.01 -1.26 -0.49 120.40 130.20 2x18 s VAL 82 Ca 0.48 1.23 0.02 0.00 0.00 0.00 0.00 61.98 63.71 2x18 s VAL 82 Cb -0.19 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2x18 s VAL 82 CO 0.20 0.10 -0.12 -0.63 0.00 0.00 0.00 175.10 174.65 2x18 s ILE 83 N 1.93 1.10 -0.18 2.22 1.01 -0.73 -4.99 121.20 121.56 2x18 s ILE 83 Ca 0.30 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 2x18 s ILE 83 Cb -0.16 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2x18 s ILE 83 CO 0.11 0.35 0.09 -1.61 0.00 0.00 0.00 174.94 173.87 2x18 s GLU 84 N 0.74 3.99 -0.04 2.79 2.02 -1.26 -2.17 118.70 124.77 2x18 s GLU 84 Ca -0.13 -0.29 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2x18 s GLU 84 Cb -0.16 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 2x18 s GLU 84 CO 0.03 0.32 -0.24 1.03 0.02 0.00 0.00 175.26 176.43 2x18 s ARG 85 N 0.25 2.28 -0.13 1.61 0.52 -0.42 -4.97 118.95 118.09 2x18 s ARG 85 Ca 0.06 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.43 2x18 s ARG 85 Cb -0.12 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.37 2x18 s ARG 85 CO -0.00 0.40 -0.17 0.99 0.02 0.00 0.00 175.30 176.53 2x18 s THR 86 N -0.24 1.69 0.20 0.02 2.01 -1.26 -0.62 115.64 117.43 2x18 s THR 86 Ca -0.00 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.35 2x18 s THR 86 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2x18 s THR 86 CO 0.02 0.48 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.89 2x18 s PHE 87 N 1.04 1.93 0.07 4.92 0.08 0.03 -1.25 117.98 124.79 2x18 s PHE 87 Ca -0.04 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.48 2x18 s PHE 87 Cb -0.15 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.38 2x18 s PHE 87 CO -0.04 0.43 0.13 -3.38 -0.10 0.00 0.00 175.22 172.26 2x18 s HIS 88 N -2.33 0.21 0.12 0.36 -3.43 0.20 -0.90 115.29 109.52 2x18 s HIS 88 Ca 0.21 -0.61 0.01 0.00 -0.80 0.00 0.00 55.06 53.86 2x18 s HIS 88 Cb -0.05 -0.13 -0.00 0.00 -1.43 0.00 0.00 32.58 30.97 2x18 s HIS 88 CO 0.09 -0.46 0.03 1.33 -2.00 0.00 0.00 174.74 173.72 2x18 n VAL 89 N 0.23 0.00 0.04 -5.38 0.24 -0.97 -1.36 118.33 111.14 2x18 n VAL 89 Ca -0.16 -0.67 0.02 0.00 -2.04 0.00 0.00 64.34 61.49 2x18 n VAL 89 Cb 0.61 0.22 -0.07 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.76 0.87 -4.03 -1.34 5.75 -1.26 -4.66 116.55 110.12 2x18 n ASP 90 Ca -0.02 0.38 -0.08 0.00 -0.01 0.00 0.00 54.79 55.05 2x18 n ASP 90 Cb 0.17 0.19 -0.10 0.00 -1.03 0.00 0.00 41.12 40.35 2x18 n ASP 90 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2x18 s THR 91 N -2.98 0.18 0.35 2.12 -4.23 -1.26 -5.03 115.64 104.78 2x18 s THR 91 Ca -0.03 -1.47 0.11 0.00 -1.18 0.00 0.00 61.69 59.12 2x18 s THR 91 Cb 0.09 -1.14 0.07 0.00 1.34 0.00 0.00 72.50 72.86 2x18 s THR 91 CO 0.81 -0.81 1.79 1.55 -0.54 0.00 0.00 174.62 177.41 2x18 h PRO 92 N 3.54 0.06 -0.70 3.99 0.13 -1.94 -2.40 132.00 134.67 2x18 h PRO 92 Ca -0.33 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2x18 h PRO 92 Cb 1.17 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2x18 h PRO 92 CO 0.58 0.44 0.21 0.93 -0.23 0.00 0.00 178.00 179.93 2x18 h GLU 93 N 0.05 1.10 -0.31 0.86 3.07 -1.99 -0.59 114.58 116.77 2x18 h GLU 93 Ca 0.00 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 58.46 2x18 h GLU 93 Cb 0.72 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 2x18 h GLU 93 CO 0.05 0.95 -0.46 1.49 -1.40 0.00 0.00 179.01 179.65 2x18 h GLU 94 N 1.04 0.81 -0.33 2.33 4.57 -1.92 -2.19 114.58 118.87 2x18 h GLU 94 Ca 0.22 -0.46 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2x18 h GLU 94 Cb 0.32 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2x18 h GLU 94 CO -0.00 1.09 0.18 -0.09 -1.18 0.00 0.00 179.01 179.01 2x18 h ARG 95 N 0.64 0.36 -0.04 1.92 2.43 -1.17 -2.48 114.38 116.06 2x18 h ARG 95 Ca 0.04 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2x18 h ARG 95 Cb 1.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2x18 h ARG 95 CO 0.10 0.24 -0.25 1.49 -1.51 0.00 0.00 179.97 180.04 2x18 h GLU 96 N 0.37 0.06 -0.12 0.20 4.57 -0.88 -0.70 114.58 118.09 2x18 h GLU 96 Ca 0.14 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.32 2x18 h GLU 96 Cb 0.02 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 2x18 h GLU 96 CO -0.08 0.32 -0.04 0.93 -1.18 0.00 0.00 179.01 178.96 2x18 h GLU 97 N 0.06 -0.01 -0.48 1.92 5.08 -1.12 0.07 114.58 120.10 2x18 h GLU 97 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2x18 h GLU 97 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2x18 h GLU 97 CO 0.03 -0.01 0.26 -1.49 -1.00 0.00 0.00 179.01 176.81 2x18 h TRP 98 N -0.01 0.65 0.00 4.33 4.06 -0.87 -1.61 115.95 122.50 2x18 h TRP 98 Ca 0.06 -0.01 -0.17 0.00 2.06 0.00 0.00 58.89 60.83 2x18 h TRP 98 Cb 0.11 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 2x18 h TRP 98 CO -0.17 0.49 -0.80 1.79 -3.56 0.00 0.00 178.44 176.19 2x18 h THR 99 N 0.63 1.50 -0.07 1.49 1.35 -1.05 0.33 112.91 117.09 2x18 h THR 99 Ca 0.17 -2.79 -0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2x18 h THR 99 Cb 0.05 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2x18 h THR 99 CO -0.03 0.78 0.03 -0.33 -0.25 0.00 0.00 175.52 175.73 2x18 h GLU 100 N 0.00 0.11 -0.15 4.72 5.08 -0.98 -2.22 114.58 121.13 2x18 h GLU 100 Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2x18 h GLU 100 Cb 1.47 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2x18 h GLU 100 CO 0.10 0.20 0.05 0.00 -1.00 0.00 0.00 179.01 178.37 2x18 h ALA 101 N 0.90 0.20 -0.24 3.43 0.00 -1.03 -0.15 119.26 122.37 2x18 h ALA 101 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x18 h ALA 101 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2x18 h ALA 101 CO -0.00 -0.20 0.14 0.82 0.00 0.00 0.00 179.25 180.01 2x18 h ILE 102 N 0.08 1.11 -0.82 0.00 2.04 -0.98 -1.00 117.51 117.94 2x18 h ILE 102 Ca 0.05 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 2x18 h ILE 102 Cb 0.20 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2x18 h ILE 102 CO -0.00 0.11 0.42 -0.61 0.00 0.00 0.00 178.15 178.07 2x18 h GLN 103 N 0.29 1.17 -0.63 2.37 5.75 -1.25 -0.96 115.11 121.84 2x18 h GLN 103 Ca 0.09 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.36 2x18 h GLN 103 Cb 0.05 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 2x18 h GLN 103 CO -0.01 0.88 0.11 0.00 -2.65 0.00 0.00 178.83 177.15 2x18 h ALA 104 N 1.22 0.84 -0.27 3.38 0.00 -0.78 0.65 119.26 124.31 2x18 h ALA 104 Ca 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2x18 h ALA 104 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2x18 h ALA 104 CO -0.04 0.60 0.12 0.28 0.00 0.00 0.00 179.25 180.20 2x18 h VAL 105 N 0.96 1.16 -0.74 0.00 2.07 -1.06 -1.67 116.25 116.97 2x18 h VAL 105 Ca 0.19 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2x18 h VAL 105 Cb 0.42 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2x18 h VAL 105 CO 0.01 0.17 0.44 0.00 0.02 0.00 0.00 177.57 178.21 2x18 h ALA 106 N 0.97 1.00 -0.47 1.67 0.00 -0.90 -0.91 119.26 120.62 2x18 h ALA 106 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2x18 h ALA 106 Cb 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2x18 h ALA 106 CO -0.01 0.16 0.20 -0.44 0.00 0.00 0.00 179.25 179.16 2x18 h ASP 107 N 0.82 0.64 -0.38 0.00 3.32 -0.73 -0.76 116.42 119.32 2x18 h ASP 107 Ca 0.32 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.23 2x18 h ASP 107 Cb 0.14 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2x18 h ASP 107 CO -0.16 0.62 0.23 -0.09 -1.72 0.00 0.00 179.24 178.12 2x18 h ARG 108 N 0.62 0.45 -0.53 3.56 2.43 -0.75 -1.81 114.38 118.33 2x18 h ARG 108 Ca 0.16 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2x18 h ARG 108 Cb 0.18 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2x18 h ARG 108 CO -0.01 0.29 0.12 -0.07 -1.51 0.00 0.00 179.97 178.79 2x18 h LEU 109 N 0.46 0.77 -0.33 3.80 3.38 -0.89 -1.70 115.31 120.80 2x18 h LEU 109 Ca 0.15 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2x18 h LEU 109 Cb -0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2x18 h LEU 109 CO -0.07 0.76 -0.15 -0.61 0.09 0.00 0.00 178.44 178.46 2x18 h GLN 110 N 0.79 0.68 -0.85 1.13 5.75 -0.90 -0.71 115.11 121.01 2x18 h GLN 110 Ca 0.17 -0.29 0.06 0.00 -0.15 0.00 0.00 58.65 58.43 2x18 h GLN 110 Cb 0.31 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 2x18 h GLN 110 CO 0.00 0.89 0.55 0.00 -2.65 0.00 0.00 178.83 177.62 2x18 h ARG 111 N 0.45 0.94 -0.13 1.69 -0.00 -1.10 -1.67 114.38 114.57 2x18 h ARG 111 Ca 0.07 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.98 59.36 2x18 h ARG 111 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 29.97 30.43 2x18 h ARG 111 CO 0.05 0.62 -0.50 1.96 0.00 0.00 0.00 179.97 182.10 2x18 h GLN 112 N 0.97 0.34 -0.38 0.04 4.20 -0.85 -1.06 115.11 118.36 2x18 h GLN 112 Ca 0.36 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 2x18 h GLN 112 Cb 0.17 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2x18 h GLN 112 CO -0.12 0.77 -0.11 1.49 -0.67 0.00 0.00 178.83 180.18 2x18 h GLU 113 N 0.27 0.75 -0.90 1.46 4.57 -0.81 -2.04 114.58 117.88 2x18 h GLU 113 Ca 0.01 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2x18 h GLU 113 Cb 0.98 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.49 2x18 h GLU 113 CO 0.08 0.90 0.54 0.93 -1.18 0.00 0.00 179.01 180.29 2x18 h GLU 114 N 0.55 1.21 -0.15 1.92 5.08 -1.06 0.13 114.58 122.27 2x18 h GLU 114 Ca 0.09 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2x18 h GLU 114 Cb 0.64 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2x18 h GLU 114 CO 0.04 0.85 -0.47 0.93 -1.00 0.00 0.00 179.01 179.36 2x18 h GLU 115 N 1.23 0.38 0.17 2.33 5.08 -1.13 -3.30 114.58 119.34 2x18 h GLU 115 Ca 0.32 -0.21 -0.30 0.00 -1.00 0.00 0.00 59.36 58.17 2x18 h GLU 115 Cb -0.06 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.22 2x18 h GLU 115 CO -0.06 0.77 -1.38 0.00 -1.00 0.00 0.00 179.01 177.35 2x18 h ARG 116 N 0.31 0.37 0.00 2.33 3.08 -0.82 -3.25 114.38 116.39 2x18 h ARG 116 Ca 0.02 -0.62 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2x18 h ARG 116 Cb 0.94 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2x18 h ARG 116 CO 0.08 1.29 0.00 0.00 -1.07 0.00 0.00 179.97 180.27 2x18 n MET 117 N -3.59 0.09 0.00 0.04 0.00 0.40 -5.10 117.12 108.97 2x18 n MET 117 Ca -0.13 0.24 0.03 0.00 0.00 0.00 0.00 57.70 57.85 2x18 n MET 117 Cb 1.06 -1.50 0.03 0.00 0.00 0.00 0.00 33.22 32.80 2x18 n MET 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06