#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x18 s VAL 4 N 0.00 3.36 0.13 5.18 1.01 -1.26 -5.02 120.40 123.80 2x18 s VAL 4 Ca 0.00 1.25 0.04 0.00 0.00 0.00 0.00 61.98 63.27 2x18 s VAL 4 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2x18 s VAL 4 CO 0.00 0.25 -0.09 0.42 0.00 0.00 0.00 175.10 175.68 2x18 s THR 5 N -0.59 1.03 -0.18 3.92 -4.23 -1.26 -4.95 115.64 109.39 2x18 s THR 5 Ca 0.50 -2.03 -0.29 0.00 -1.18 0.00 0.00 61.69 58.69 2x18 s THR 5 Cb -0.34 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 2x18 s THR 5 CO 0.41 -0.78 1.10 -0.63 -0.54 0.00 0.00 174.62 174.18 2x18 s ILE 6 N -3.41 4.57 -0.11 2.99 1.01 -1.26 -0.76 121.20 124.24 2x18 s ILE 6 Ca 0.15 1.88 0.04 0.00 0.00 0.00 0.00 60.65 62.73 2x18 s ILE 6 Cb 0.03 -4.21 -0.24 0.00 0.01 0.00 0.00 42.46 38.05 2x18 s ILE 6 CO -0.01 -0.12 0.41 0.52 0.00 0.00 0.00 174.94 175.74 2x18 n VAL 7 N 5.13 1.66 -3.57 2.92 0.31 0.23 -4.96 118.33 120.05 2x18 n VAL 7 Ca 0.12 -0.72 -0.16 0.00 -0.01 0.00 0.00 64.34 63.57 2x18 n VAL 7 Cb 0.46 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.57 0.93 0.04 5.55 2.20 -1.19 -5.04 119.74 119.67 2x18 s LYS 8 Ca -0.15 0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 55.99 2x18 s LYS 8 Cb 0.07 0.45 -0.01 0.00 -1.51 0.00 0.00 37.83 36.83 2x18 s LYS 8 CO 0.78 -0.22 0.09 -1.83 -0.36 0.00 0.00 175.35 173.82 2x18 s GLU 9 N -0.47 0.59 0.00 4.03 -1.05 -1.26 -1.05 118.70 119.49 2x18 s GLU 9 Ca -0.06 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2x18 s GLU 9 Cb -0.02 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 2x18 s GLU 9 CO 0.05 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.53 2x18 n GLY 10 N 0.75 1.15 3.73 -3.83 0.00 -0.75 -5.01 105.19 101.24 2x18 n GLY 10 Ca -0.19 -1.05 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 3.83 0.11 1.61 0.52 -1.26 -1.42 118.94 120.33 2x18 s TRP 11 Ca 0.00 1.81 0.02 0.00 0.02 0.00 0.00 56.10 57.95 2x18 s TRP 11 Cb 0.00 -3.04 -0.04 0.00 -1.15 0.00 0.00 33.47 29.24 2x18 s TRP 11 CO 0.00 0.24 -0.07 0.14 0.02 0.00 0.00 176.95 177.28 2x18 s VAL 12 N -0.15 0.74 -0.10 4.03 -7.23 0.18 -4.95 120.40 112.92 2x18 s VAL 12 Ca 0.46 -1.95 -0.15 0.00 -1.81 0.00 0.00 61.98 58.53 2x18 s VAL 12 Cb -0.24 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 2x18 s VAL 12 CO 0.30 -0.84 0.35 -1.10 -0.31 0.00 0.00 175.10 173.50 2x18 s GLN 13 N -3.83 4.12 -0.04 4.82 -0.21 -0.45 -0.95 119.66 123.12 2x18 s GLN 13 Ca 0.13 0.25 0.04 0.00 0.02 0.00 0.00 55.36 55.79 2x18 s GLN 13 Cb 0.05 -3.35 -0.00 0.00 1.00 0.00 0.00 33.01 30.70 2x18 s GLN 13 CO -0.04 0.38 -0.16 0.21 -2.12 0.00 0.00 175.29 173.56 2x18 s LYS 14 N -0.03 1.67 0.26 2.91 2.20 -0.09 -0.72 119.74 125.95 2x18 s LYS 14 Ca 0.20 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 2x18 s LYS 14 Cb -0.14 -1.46 -0.09 0.00 -1.51 0.00 0.00 37.83 34.62 2x18 s LYS 14 CO 0.08 0.23 1.26 1.03 -0.36 0.00 0.00 175.35 177.59 2x18 s ARG 15 N 0.06 4.43 0.84 4.03 0.52 0.08 -1.66 118.95 127.25 2x18 s ARG 15 Ca -0.04 2.06 -0.10 0.00 -0.52 0.00 0.00 55.73 57.13 2x18 s ARG 15 Cb -0.11 -3.15 0.10 0.00 0.52 0.00 0.00 34.95 32.31 2x18 s ARG 15 CO 0.02 -0.13 1.11 0.20 0.02 0.00 0.00 175.30 176.52 2x18 s GLY 16 N -0.20 1.68 0.26 -3.53 0.00 0.40 -4.74 107.32 101.19 2x18 s GLY 16 Ca 0.51 0.38 0.21 0.00 0.00 0.00 0.00 44.72 45.83 2x18 s GLY 16 CO 0.44 0.77 1.22 0.83 0.00 0.00 0.00 173.10 176.36 2x18 h GLU 17 N -1.48 0.00 0.00 2.90 4.39 -1.93 -3.39 114.58 115.06 2x18 h GLU 17 Ca -0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2x18 h GLU 17 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.90 2x18 h GLU 17 CO 0.47 0.09 -0.39 0.66 -1.16 0.00 0.00 179.01 178.68 2x18 n TYR 18 N -2.89 0.00 -3.30 4.33 4.01 -1.26 -4.98 117.16 113.07 2x18 n TYR 18 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 2x18 n TYR 18 Cb 0.60 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 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 5.16 -2.01 -0.72 1.01 -1.26 -4.99 121.20 116.10 2x18 s ILE 19 Ca -0.11 1.00 0.24 0.00 0.00 0.00 0.00 60.65 61.77 2x18 s ILE 19 Cb 0.02 -3.83 0.67 0.00 0.01 0.00 0.00 42.46 39.32 2x18 s ILE 19 CO 0.17 0.33 1.91 0.29 0.00 0.00 0.00 174.94 177.64 2x18 n LYS 20 N 3.57 1.02 -0.77 2.79 5.02 -1.26 -2.83 118.16 125.69 2x18 n LYS 20 Ca -0.07 -0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.87 2x18 n LYS 20 Cb 0.52 -1.37 0.13 0.00 -0.02 0.00 0.00 35.03 34.28 2x18 n LYS 20 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2x18 n ASN 21 N -0.85 -2.56 -4.80 4.39 0.23 -1.26 -3.88 115.26 106.53 2x18 n ASN 21 Ca 0.18 0.12 -0.37 0.00 -0.53 0.00 0.00 54.58 53.98 2x18 n ASN 21 Cb 0.09 -1.03 -0.06 0.00 -2.08 0.00 0.00 39.78 36.69 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 -2.28 3.58 0.01 -2.53 0.52 -1.26 -0.45 118.94 116.53 2x18 s TRP 22 Ca 0.54 0.69 -0.04 0.00 0.02 0.00 0.00 56.10 57.32 2x18 s TRP 22 Cb -0.15 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2x18 s TRP 22 CO 0.68 0.51 0.06 1.03 0.02 0.00 0.00 176.95 179.24 2x18 s ARG 23 N -0.43 0.41 0.33 4.98 1.81 -0.67 -4.92 118.95 120.46 2x18 s ARG 23 Ca 0.18 -0.53 -0.27 0.00 -1.72 0.00 0.00 55.73 53.39 2x18 s ARG 23 Cb -0.14 0.16 -0.09 0.00 -0.45 0.00 0.00 34.95 34.43 2x18 s ARG 23 CO 0.07 -0.09 1.12 -2.14 -0.68 0.00 0.00 175.30 173.58 2x18 s PRO 24 N -1.53 4.41 -0.01 3.54 0.02 -1.26 -0.91 135.00 139.27 2x18 s PRO 24 Ca -0.15 1.79 -0.01 0.00 0.02 0.00 0.00 61.00 62.65 2x18 s PRO 24 Cb -0.08 -2.95 0.00 0.00 0.02 0.00 0.00 34.50 31.49 2x18 s PRO 24 CO -0.00 0.01 0.02 1.03 -0.33 0.00 0.00 177.00 177.73 2x18 s ARG 25 N -1.85 0.06 -0.37 5.54 1.81 -0.13 -4.86 118.95 119.16 2x18 s ARG 25 Ca 0.50 -0.03 -0.16 0.00 -1.72 0.00 0.00 55.73 54.32 2x18 s ARG 25 Cb -0.30 0.03 0.00 0.00 -0.45 0.00 0.00 34.95 34.22 2x18 s ARG 25 CO 0.39 -0.01 0.37 -0.47 -0.68 0.00 0.00 175.30 174.90 2x18 s TYR 26 N -0.14 3.20 0.01 -0.53 5.04 -0.04 -0.65 117.35 124.25 2x18 s TYR 26 Ca -0.02 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 2x18 s TYR 26 Cb -0.01 -2.71 -0.04 0.00 0.35 0.00 0.00 41.96 39.55 2x18 s TYR 26 CO -0.00 -0.53 0.03 -0.06 -1.34 0.00 0.00 175.55 173.66 2x18 s PHE 27 N 1.99 3.15 -0.14 4.97 0.40 -0.51 -0.43 117.98 127.42 2x18 s PHE 27 Ca 0.11 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.58 2x18 s PHE 27 Cb -0.17 -1.68 0.01 0.00 0.51 0.00 0.00 43.02 41.69 2x18 s PHE 27 CO 0.12 0.50 -0.21 -0.51 0.70 0.00 0.00 175.22 175.81 2x18 s LEU 28 N -1.72 2.06 -0.22 -0.37 1.02 0.05 -1.81 118.68 117.70 2x18 s LEU 28 Ca 0.22 -0.58 -0.08 0.00 0.02 0.00 0.00 54.13 53.71 2x18 s LEU 28 Cb -0.12 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 2x18 s LEU 28 CO 0.13 0.07 0.08 -0.22 0.02 0.00 0.00 176.35 176.43 2x18 s LEU 29 N 0.82 3.63 0.30 1.79 2.96 -0.21 -1.40 118.68 126.58 2x18 s LEU 29 Ca -0.07 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.85 2x18 s LEU 29 Cb -0.15 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2x18 s LEU 29 CO -0.02 0.05 0.04 -0.54 -1.32 0.00 0.00 176.35 174.56 2x18 s LYS 30 N 1.13 2.27 0.62 1.98 1.02 -0.45 -0.60 119.74 125.71 2x18 s LYS 30 Ca 0.05 -1.53 0.40 0.00 0.02 0.00 0.00 55.97 54.91 2x18 s LYS 30 Cb -0.14 -2.11 2.02 0.00 -0.52 0.00 0.00 37.83 37.07 2x18 s LYS 30 CO 0.03 0.24 2.22 1.79 -0.92 0.00 0.00 175.35 178.72 2x18 h THR 31 N 1.78 0.00 0.00 2.17 1.35 -1.27 -0.81 112.91 116.12 2x18 h THR 31 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 2x18 h THR 31 Cb 1.25 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2x18 h THR 31 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 2x18 n ASP 32 N -3.06 0.00 0.00 5.36 5.68 -1.26 -4.84 116.55 118.43 2x18 n ASP 32 Ca -0.02 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 2x18 n ASP 32 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 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 0.70 1.15 3.76 6.12 0.00 -0.31 -4.95 105.19 111.65 2x18 n GLY 33 Ca 0.16 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 -2.83 6.89 -0.29 1.61 1.04 -1.25 -1.00 113.70 117.87 2x18 s SER 34 Ca 0.00 2.54 -0.02 0.00 0.48 0.00 0.00 55.95 58.95 2x18 s SER 34 Cb 0.00 -2.63 0.09 0.00 0.10 0.00 0.00 66.02 63.58 2x18 s SER 34 CO 0.00 -0.46 0.09 0.12 0.98 0.00 0.00 173.24 173.97 2x18 s PHE 35 N -0.79 1.34 -0.14 5.02 5.36 0.38 -1.33 117.98 127.80 2x18 s PHE 35 Ca 0.50 -1.43 0.01 0.00 -0.96 0.00 0.00 56.93 55.06 2x18 s PHE 35 Cb -0.38 -1.44 -0.00 0.00 -0.34 0.00 0.00 43.02 40.86 2x18 s PHE 35 CO 0.47 -0.82 -0.18 0.42 -1.46 0.00 0.00 175.22 173.65 2x18 s ILE 36 N 1.75 2.48 -0.05 3.12 1.01 -0.49 -1.99 121.20 127.03 2x18 s ILE 36 Ca 0.08 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2x18 s ILE 36 Cb -0.17 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 2x18 s ILE 36 CO -0.25 0.53 -0.05 -0.83 0.00 0.00 0.00 174.94 174.34 2x18 s GLY 37 N 0.69 1.75 0.16 6.18 0.00 -0.18 -0.77 107.32 115.15 2x18 s GLY 37 Ca -0.08 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 43.79 2x18 s GLY 37 CO 0.01 -0.72 -0.13 -0.19 0.00 0.00 0.00 173.10 172.07 2x18 s TYR 38 N -0.89 1.52 0.31 1.90 2.02 0.42 -0.31 117.35 122.32 2x18 s TYR 38 Ca 0.14 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.23 2x18 s TYR 38 Cb -0.11 -0.75 0.51 0.00 -0.40 0.00 0.00 41.96 41.21 2x18 s TYR 38 CO 0.04 0.23 1.93 -0.22 -1.57 0.00 0.00 175.55 175.96 2x18 h LYS 39 N 2.92 0.88 -3.92 -0.62 3.64 -1.86 -0.06 116.57 117.55 2x18 h LYS 39 Ca -0.38 -0.10 -0.24 0.00 -1.27 0.00 0.00 60.65 58.66 2x18 h LYS 39 Cb 1.20 -0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 2x18 h LYS 39 CO 0.59 0.66 -0.10 -1.83 -2.27 0.00 0.00 179.45 176.49 2x18 s GLU 40 N -5.58 2.00 0.20 1.90 1.03 -1.26 -4.64 118.70 112.35 2x18 s GLU 40 Ca -0.10 -1.72 -0.33 0.00 0.03 0.00 0.00 54.97 52.85 2x18 s GLU 40 Cb 0.17 0.48 -0.13 0.00 -0.80 0.00 0.00 34.13 33.85 2x18 s GLU 40 CO 0.78 -0.85 1.63 1.63 -1.33 0.00 0.00 175.26 177.12 2x18 n LYS 41 N -0.57 2.46 -0.26 -4.83 5.02 -1.26 -4.76 118.16 113.95 2x18 n LYS 41 Ca -0.01 0.89 0.02 0.00 -2.02 0.00 0.00 58.31 57.19 2x18 n LYS 41 Cb 0.61 -2.68 0.24 0.00 -0.02 0.00 0.00 35.03 33.18 2x18 n LYS 41 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2x18 h PRO 42 N 6.08 1.01 -0.96 1.97 0.10 -1.94 -2.04 132.00 136.22 2x18 h PRO 42 Ca -0.44 -0.06 0.30 0.00 0.10 0.00 0.00 66.00 65.90 2x18 h PRO 42 Cb 1.23 -0.23 -0.16 0.00 0.10 0.00 0.00 31.00 31.95 2x18 h PRO 42 CO 0.90 0.67 0.37 1.96 0.10 0.00 0.00 178.00 182.00 2x18 h GLN 43 N 1.04 0.18 -0.02 1.05 7.50 -2.02 -2.57 115.11 120.27 2x18 h GLN 43 Ca 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.47 2x18 h GLN 43 Cb 0.04 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.53 2x18 h GLN 43 CO -0.10 0.12 0.00 -0.25 -1.50 0.00 0.00 178.83 177.10 2x18 n ASP 44 N -5.21 1.05 -4.04 1.46 8.00 -0.77 -4.87 116.55 112.17 2x18 n ASP 44 Ca 0.28 -1.37 -0.12 0.00 0.71 0.00 0.00 54.79 54.29 2x18 n ASP 44 Cb 0.89 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.87 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 -1.99 0.44 0.16 2.53 -7.23 -0.97 -5.05 120.40 108.29 2x18 s VAL 45 Ca 0.40 -1.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2x18 s VAL 45 Cb 0.21 -0.54 -0.13 0.00 0.56 0.00 0.00 36.38 36.49 2x18 s VAL 45 CO 0.34 -0.42 1.40 -2.24 -0.31 0.00 0.00 175.10 173.87 2x18 h ASP 46 N 4.51 0.50 -2.22 4.85 -0.00 -1.89 -3.40 116.42 118.78 2x18 h ASP 46 Ca -0.35 -0.35 -0.58 0.00 -0.00 0.00 0.00 57.03 55.75 2x18 h ASP 46 Cb 1.20 -0.15 -0.40 0.00 -0.00 0.00 0.00 39.33 39.98 2x18 h ASP 46 CO 0.41 1.10 -0.84 0.18 -0.00 0.00 0.00 179.24 180.09 2x18 n LEU 47 N -3.82 1.79 -4.55 0.15 4.77 -1.26 -5.04 117.00 109.04 2x18 n LEU 47 Ca -0.05 -5.00 -0.43 0.00 -0.03 0.00 0.00 56.01 50.50 2x18 n LEU 47 Cb 0.74 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2x18 n LEU 47 CO 0.49 2.01 1.71 -2.16 -1.33 0.00 0.00 177.39 178.11 2x18 s PRO 48 N -1.59 3.86 0.12 3.23 0.04 -1.26 -4.96 135.00 134.43 2x18 s PRO 48 Ca 0.36 -1.78 -0.31 0.00 0.04 0.00 0.00 61.00 59.31 2x18 s PRO 48 Cb 0.13 -5.40 -0.08 0.00 0.04 0.00 0.00 34.50 29.18 2x18 s PRO 48 CO -0.09 -2.17 1.43 0.71 0.04 0.00 0.00 177.00 176.93 2x18 s TYR 49 N 4.10 3.17 0.41 0.56 2.02 -1.26 -4.97 117.35 121.38 2x18 s TYR 49 Ca 0.49 0.87 -0.26 0.00 -0.37 0.00 0.00 57.07 57.80 2x18 s TYR 49 Cb 0.02 -3.74 -0.09 0.00 -0.40 0.00 0.00 41.96 37.75 2x18 s TYR 49 CO 0.01 -2.63 1.30 -2.14 -1.57 0.00 0.00 175.55 170.52 2x18 s PRO 50 N 1.21 3.96 0.17 -1.71 0.02 -1.26 -4.67 135.00 132.72 2x18 s PRO 50 Ca 0.66 2.14 0.22 0.00 0.02 0.00 0.00 61.00 64.04 2x18 s PRO 50 Cb -0.38 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 2x18 s PRO 50 CO 0.30 -0.50 0.98 1.28 -0.33 0.00 0.00 177.00 178.74 2x18 n LEU 51 N 0.11 0.81 -3.83 -5.54 4.77 0.57 -4.93 117.00 108.95 2x18 n LEU 51 Ca 0.04 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2x18 n LEU 51 Cb 0.44 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 2x18 n LEU 51 CO 0.56 -0.13 -0.28 0.20 -1.33 0.00 0.00 177.39 176.40 2x18 s ASN 52 N -5.38 -0.07 -0.26 -1.43 -0.87 -0.90 -4.96 114.94 101.07 2x18 s ASN 52 Ca -0.01 0.15 -0.01 0.00 -1.57 0.00 0.00 52.86 51.41 2x18 s ASN 52 Cb 0.10 0.14 0.13 0.00 -0.02 0.00 0.00 41.25 41.59 2x18 s ASN 52 CO 0.80 -0.04 0.34 0.21 -2.57 0.00 0.00 177.10 175.83 2x18 s ASN 53 N 0.20 0.84 0.21 -1.22 3.84 -1.26 -1.02 114.94 116.54 2x18 s ASN 53 Ca -0.01 -0.24 -0.06 0.00 0.21 0.00 0.00 52.86 52.76 2x18 s ASN 53 Cb -0.02 0.83 -0.02 0.00 -0.55 0.00 0.00 41.25 41.48 2x18 s ASN 53 CO -0.01 -0.34 0.26 0.72 -2.79 0.00 0.00 177.10 174.95 2x18 s PHE 54 N 2.46 0.80 -0.03 0.43 -0.12 -0.84 -5.02 117.98 115.65 2x18 s PHE 54 Ca 0.10 -1.09 -0.02 0.00 -0.05 0.00 0.00 56.93 55.88 2x18 s PHE 54 Cb -0.14 -0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 2x18 s PHE 54 CO -0.23 -0.76 0.09 0.45 -0.05 0.00 0.00 175.22 174.72 2x18 s SER 55 N -3.09 5.79 0.00 1.98 0.15 -1.26 -0.47 113.70 116.80 2x18 s SER 55 Ca 0.30 0.22 0.22 0.00 0.70 0.00 0.00 55.95 57.39 2x18 s SER 55 Cb 0.04 -1.71 0.57 0.00 -1.71 0.00 0.00 66.02 63.20 2x18 s SER 55 CO 0.09 0.31 1.48 1.33 1.20 0.00 0.00 173.24 177.66 2x18 n VAL 56 N 1.43 0.78 -1.63 4.45 0.24 -0.17 -4.95 118.33 118.47 2x18 n VAL 56 Ca -0.15 -0.86 -0.48 0.00 -2.04 0.00 0.00 64.34 60.81 2x18 n VAL 56 Cb 0.53 0.62 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 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 1.50 0.37 -2.68 2.33 0.00 -1.26 -2.08 120.51 118.68 2x18 n ALA 57 Ca 0.22 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.93 2x18 n ALA 57 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 -2.83 -1.76 0.00 5.02 -1.26 -4.95 118.16 115.06 2x18 n LYS 58 Ca 0.16 0.80 -0.31 0.00 -2.02 0.00 0.00 58.31 56.94 2x18 n LYS 58 Cb 0.26 -5.50 0.04 0.00 -0.02 0.00 0.00 35.03 29.80 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 -5.17 2.64 -0.03 0.00 -0.21 0.33 -4.97 119.66 112.25 2x18 s GLN 60 Ca 0.57 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 55.30 2x18 s GLN 60 Cb -0.12 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2x18 s GLN 60 CO 0.54 0.61 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.66 2x18 s LEU 61 N -1.55 1.93 0.02 2.90 1.43 -1.26 -0.95 118.68 121.20 2x18 s LEU 61 Ca 0.19 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2x18 s LEU 61 Cb -0.11 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 2x18 s LEU 61 CO 0.09 0.15 -0.11 -0.04 0.23 0.00 0.00 176.35 176.68 2x18 s MET 62 N -0.09 0.77 -0.09 1.70 -1.94 -0.55 -4.99 119.30 114.11 2x18 s MET 62 Ca 0.00 -0.58 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 2x18 s MET 62 Cb -0.09 -0.73 -0.01 0.00 2.01 0.00 0.00 34.83 36.01 2x18 s MET 62 CO 0.01 0.18 -0.19 0.15 -0.01 0.00 0.00 175.02 175.16 2x18 s LYS 63 N -0.84 2.95 0.13 2.03 1.02 -1.26 -0.62 119.74 123.14 2x18 s LYS 63 Ca 0.00 -0.79 -0.01 0.00 0.02 0.00 0.00 55.97 55.20 2x18 s LYS 63 Cb -0.06 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2x18 s LYS 63 CO 0.00 0.32 0.04 0.95 -0.92 0.00 0.00 175.35 175.75 2x18 s THR 64 N 0.03 0.19 -0.27 2.17 -4.23 -0.69 -5.02 115.64 107.82 2x18 s THR 64 Ca -0.07 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 2x18 s THR 64 Cb -0.15 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.70 2x18 s THR 64 CO 0.05 -0.52 0.48 -0.62 -0.54 0.00 0.00 174.62 173.46 2x18 n GLU 65 N -0.09 0.81 -4.12 3.99 -0.58 -1.26 -1.89 120.64 117.49 2x18 n GLU 65 Ca -0.06 -0.51 -0.16 0.00 -0.42 0.00 0.00 57.16 56.00 2x18 n GLU 65 Cb 0.63 -0.95 -0.15 0.00 -0.57 0.00 0.00 31.44 30.40 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 -0.42 0.43 0.47 3.49 1.81 -1.26 -2.47 118.95 121.00 2x18 s ARG 66 Ca 0.02 -0.14 0.27 0.00 -1.72 0.00 0.00 55.73 54.16 2x18 s ARG 66 Cb 0.02 -0.44 0.98 0.00 -0.45 0.00 0.00 34.95 35.07 2x18 s ARG 66 CO 0.04 0.06 1.84 -1.00 -0.68 0.00 0.00 175.30 175.57 2x18 h PRO 67 N 6.27 0.00 -5.92 3.54 0.13 -2.04 -3.49 132.00 130.49 2x18 h PRO 67 Ca -0.30 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.15 2x18 h PRO 67 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2x18 h PRO 67 CO 0.50 0.13 -0.73 0.15 -0.23 0.00 0.00 178.00 177.82 2x18 s LYS 68 N -3.58 2.93 0.72 0.86 -0.14 -1.24 -5.11 119.74 114.18 2x18 s LYS 68 Ca 0.02 -0.61 -0.16 0.00 -1.36 0.00 0.00 55.97 53.85 2x18 s LYS 68 Cb 0.09 -2.58 0.03 0.00 -1.68 0.00 0.00 37.83 33.69 2x18 s LYS 68 CO 0.61 0.51 1.20 -2.30 -0.76 0.00 0.00 175.35 174.61 2x18 n PRO 69 N 2.68 0.64 -3.18 -1.68 -0.02 -1.03 -3.68 135.00 128.73 2x18 n PRO 69 Ca -0.18 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.39 2x18 n PRO 69 Cb 0.53 -2.44 0.05 0.00 -0.02 0.00 0.00 33.50 31.62 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 -2.39 -5.63 -4.82 2.55 3.02 -1.24 -4.60 115.26 102.14 2x18 n ASN 70 Ca 0.15 -0.36 -0.38 0.00 -0.03 0.00 0.00 54.58 53.95 2x18 n ASN 70 Cb 0.49 -4.35 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 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 -3.19 4.92 0.04 3.41 2.01 -0.79 -2.31 115.64 119.73 2x18 s THR 71 Ca 0.39 0.99 0.06 0.00 0.31 0.00 0.00 61.69 63.43 2x18 s THR 71 Cb -0.17 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 2x18 s THR 71 CO 0.48 0.57 -0.17 0.72 -0.69 0.00 0.00 174.62 175.52 2x18 s PHE 72 N -1.06 1.53 -0.07 4.92 -0.12 -0.12 -1.70 117.98 121.36 2x18 s PHE 72 Ca 0.26 -0.36 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 2x18 s PHE 72 Cb -0.18 -0.91 -0.01 0.00 -0.63 0.00 0.00 43.02 41.30 2x18 s PHE 72 CO 0.15 0.06 -0.23 0.42 -0.05 0.00 0.00 175.22 175.57 2x18 s ILE 73 N -0.80 1.94 -0.07 -4.49 1.01 0.21 -0.97 121.20 118.02 2x18 s ILE 73 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2x18 s ILE 73 Cb -0.08 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2x18 s ILE 73 CO 0.01 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.70 2x18 s ILE 74 N 0.02 2.83 -0.05 2.92 1.01 -0.20 -1.48 121.20 126.25 2x18 s ILE 74 Ca -0.08 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2x18 s ILE 74 Cb -0.15 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.22 2x18 s ILE 74 CO 0.05 0.57 -0.12 -0.13 0.00 0.00 0.00 174.94 175.31 2x18 s ARG 75 N -0.34 1.57 0.05 2.79 0.52 -0.13 -1.11 118.95 122.30 2x18 s ARG 75 Ca 0.03 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2x18 s ARG 75 Cb -0.13 -1.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.99 2x18 s ARG 75 CO 0.02 0.07 -0.19 0.00 0.02 0.00 0.00 175.30 175.23 2x18 h LEU 77 N 4.81 -0.06 -0.07 0.00 5.85 -1.92 -1.90 115.31 122.02 2x18 h LEU 77 Ca -0.42 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2x18 h LEU 77 Cb 1.17 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.40 2x18 h LEU 77 CO 0.43 -0.05 -0.00 0.00 -0.34 0.00 0.00 178.44 178.48 2x18 n GLN 78 N -5.18 0.97 -1.78 1.25 0.00 -1.26 -4.33 117.38 107.04 2x18 n GLN 78 Ca 0.12 -0.07 -0.41 0.00 0.00 0.00 0.00 57.00 56.64 2x18 n GLN 78 Cb 0.41 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.14 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 -0.96 2.86 0.26 2.61 8.01 -0.72 -4.71 117.44 124.79 2x18 n TRP 79 Ca 0.22 -2.94 0.14 0.00 -1.31 0.00 0.00 57.50 53.61 2x18 n TRP 79 Cb 0.15 -2.26 0.36 0.00 -2.01 0.00 0.00 31.31 27.55 2x18 n TRP 79 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 2x18 h THR 80 N 3.33 0.00 0.12 -0.99 1.35 -1.85 0.60 112.91 115.47 2x18 h THR 80 Ca 0.66 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 2x18 h THR 80 Cb 0.45 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 2x18 h THR 80 CO 1.72 0.00 -0.06 0.74 -0.25 0.00 0.00 175.52 177.67 2x18 h THR 81 N 0.00 0.55 0.00 6.82 2.02 -1.97 -3.39 112.91 116.94 2x18 h THR 81 Ca 0.00 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 65.93 2x18 h THR 81 Cb 0.81 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 2x18 h THR 81 CO 0.00 0.17 -1.24 1.33 0.37 0.00 0.00 175.52 176.14 2x18 n VAL 82 N -4.86 0.72 0.00 3.16 0.24 -1.23 -4.97 118.33 111.40 2x18 n VAL 82 Ca -0.05 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 2x18 n VAL 82 Cb 0.20 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 2x18 n VAL 82 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2x18 n ILE 83 N -2.69 0.00 -3.89 1.34 5.41 0.20 -4.76 119.36 114.97 2x18 n ILE 83 Ca -0.04 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.62 2x18 n ILE 83 Cb 0.64 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.49 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 0.68 -0.03 0.38 -1.05 -1.26 -4.22 118.70 113.20 2x18 s GLU 84 Ca 0.00 -0.78 0.06 0.00 -0.15 0.00 0.00 54.97 54.11 2x18 s GLU 84 Cb 0.00 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.94 2x18 s GLU 84 CO 0.00 -0.19 -0.22 1.03 0.95 0.00 0.00 175.26 176.83 2x18 s ARG 85 N -2.92 2.25 -0.07 -4.83 0.52 -0.26 -4.98 118.95 108.65 2x18 s ARG 85 Ca -0.02 -0.85 0.02 0.00 -0.52 0.00 0.00 55.73 54.36 2x18 s ARG 85 Cb 0.01 -2.16 0.02 0.00 0.52 0.00 0.00 34.95 33.33 2x18 s ARG 85 CO -0.06 0.58 -0.12 0.99 0.02 0.00 0.00 175.30 176.72 2x18 s THR 86 N -0.66 1.13 0.06 0.02 2.01 -1.26 -1.03 115.64 115.90 2x18 s THR 86 Ca 0.11 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.69 2x18 s THR 86 Cb -0.10 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2x18 s THR 86 CO -0.00 0.36 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.80 2x18 s PHE 87 N 0.84 1.04 0.05 4.92 0.08 -0.14 -0.74 117.98 124.02 2x18 s PHE 87 Ca -0.11 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.45 2x18 s PHE 87 Cb -0.15 -0.59 -0.02 0.00 -0.57 0.00 0.00 43.02 41.68 2x18 s PHE 87 CO 0.02 0.01 0.04 -3.38 -0.10 0.00 0.00 175.22 171.81 2x18 s HIS 88 N -1.24 0.33 0.37 0.36 -3.43 0.11 -0.95 115.29 110.84 2x18 s HIS 88 Ca -0.04 -0.74 0.04 0.00 -0.80 0.00 0.00 55.06 53.51 2x18 s HIS 88 Cb -0.10 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.78 2x18 s HIS 88 CO 0.02 -0.37 0.10 0.14 -2.00 0.00 0.00 174.74 172.63 2x18 s VAL 89 N -3.16 0.77 -0.40 -5.38 -7.23 -0.98 -1.35 120.40 102.68 2x18 s VAL 89 Ca -0.00 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.39 2x18 s VAL 89 Cb 0.02 -2.49 0.29 0.00 0.56 0.00 0.00 36.38 34.76 2x18 s VAL 89 CO -0.07 0.00 1.56 -0.78 -0.31 0.00 0.00 175.10 175.50 2x18 h ASP 90 N 1.92 0.00 -4.74 4.85 3.58 -1.92 -3.43 116.42 116.68 2x18 h ASP 90 Ca -0.37 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 56.83 2x18 h ASP 90 Cb 1.26 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.12 2x18 h ASP 90 CO 0.61 0.06 -0.72 0.42 -2.88 0.00 0.00 179.24 176.73 2x18 s THR 91 N -3.19 0.56 0.36 2.25 -4.23 -1.26 -5.03 115.64 105.10 2x18 s THR 91 Ca 0.06 -1.34 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 2x18 s THR 91 Cb 0.06 -0.93 0.11 0.00 1.34 0.00 0.00 72.50 73.08 2x18 s THR 91 CO 0.69 -0.54 1.84 1.55 -0.54 0.00 0.00 174.62 177.61 2x18 h PRO 92 N 4.03 0.17 -0.58 3.99 0.13 -1.94 -2.52 132.00 135.28 2x18 h PRO 92 Ca -0.35 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2x18 h PRO 92 Cb 1.19 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2x18 h PRO 92 CO 0.48 0.43 0.31 0.93 -0.23 0.00 0.00 178.00 179.92 2x18 h GLU 93 N 0.15 0.80 -0.67 0.86 3.07 -1.99 -1.18 114.58 115.62 2x18 h GLU 93 Ca 0.02 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 58.72 2x18 h GLU 93 Cb 0.56 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 2x18 h GLU 93 CO 0.04 0.62 0.17 1.49 -1.40 0.00 0.00 179.01 179.93 2x18 h GLU 94 N 0.78 1.08 -0.43 2.33 4.57 -1.95 -1.70 114.58 119.26 2x18 h GLU 94 Ca 0.20 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2x18 h GLU 94 Cb 0.05 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2x18 h GLU 94 CO -0.03 0.95 0.28 -0.09 -1.18 0.00 0.00 179.01 178.94 2x18 h ARG 95 N 1.00 0.57 -0.29 1.92 2.43 -1.00 -2.17 114.38 116.85 2x18 h ARG 95 Ca 0.21 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2x18 h ARG 95 Cb 0.36 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2x18 h ARG 95 CO 0.00 0.39 -0.16 1.49 -1.51 0.00 0.00 179.97 180.18 2x18 h GLU 96 N 0.58 0.51 -0.32 0.20 4.57 -1.01 -1.07 114.58 118.04 2x18 h GLU 96 Ca 0.16 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.21 2x18 h GLU 96 Cb -0.05 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 2x18 h GLU 96 CO -0.03 0.66 0.13 0.93 -1.18 0.00 0.00 179.01 179.51 2x18 h GLU 97 N 0.47 0.27 -0.36 1.92 5.08 -0.90 0.17 114.58 121.22 2x18 h GLU 97 Ca 0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2x18 h GLU 97 Cb 0.55 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2x18 h GLU 97 CO 0.04 0.18 0.17 -1.49 -1.00 0.00 0.00 179.01 176.90 2x18 h TRP 98 N 0.28 0.53 -0.00 4.33 4.06 -0.72 -1.43 115.95 122.99 2x18 h TRP 98 Ca 0.14 -0.03 -0.17 0.00 2.06 0.00 0.00 58.89 60.89 2x18 h TRP 98 Cb 0.09 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 2x18 h TRP 98 CO -0.12 0.47 -0.80 1.79 -3.56 0.00 0.00 178.44 176.21 2x18 h THR 99 N 0.45 1.53 -0.24 1.49 1.35 -1.05 -0.02 112.91 116.41 2x18 h THR 99 Ca 0.12 -2.62 -0.01 0.00 -0.55 0.00 0.00 66.41 63.36 2x18 h THR 99 Cb 0.14 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 2x18 h THR 99 CO -0.01 0.75 0.12 -0.33 -0.25 0.00 0.00 175.52 175.80 2x18 h GLU 100 N 0.05 0.35 -0.24 4.72 5.08 -0.92 -2.04 114.58 121.57 2x18 h GLU 100 Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2x18 h GLU 100 Cb 1.41 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2x18 h GLU 100 CO 0.11 0.35 0.01 0.00 -1.00 0.00 0.00 179.01 178.48 2x18 h ALA 101 N 0.98 0.32 -0.15 3.43 0.00 -1.03 -0.25 119.26 122.57 2x18 h ALA 101 Ca 0.08 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2x18 h ALA 101 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2x18 h ALA 101 CO -0.01 0.04 0.08 0.82 0.00 0.00 0.00 179.25 180.18 2x18 h ILE 102 N 0.20 1.09 -0.57 0.00 2.04 -1.02 -0.45 117.51 118.81 2x18 h ILE 102 Ca 0.07 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 2x18 h ILE 102 Cb 0.38 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2x18 h ILE 102 CO 0.01 0.08 0.05 -0.61 0.00 0.00 0.00 178.15 177.69 2x18 h GLN 103 N 0.14 0.94 -0.58 2.37 5.75 -1.22 -1.28 115.11 121.23 2x18 h GLN 103 Ca 0.05 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 2x18 h GLN 103 Cb 0.06 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 2x18 h GLN 103 CO -0.01 0.90 0.10 0.00 -2.65 0.00 0.00 178.83 177.16 2x18 h ALA 104 N 1.17 0.77 -0.14 3.38 0.00 -0.72 0.13 119.26 123.85 2x18 h ALA 104 Ca 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2x18 h ALA 104 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2x18 h ALA 104 CO 0.02 0.51 0.09 0.28 0.00 0.00 0.00 179.25 180.14 2x18 h VAL 105 N 0.85 1.03 -0.67 0.00 2.07 -0.90 -1.62 116.25 117.01 2x18 h VAL 105 Ca 0.18 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2x18 h VAL 105 Cb 0.41 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 2x18 h VAL 105 CO 0.01 0.03 0.40 0.00 0.02 0.00 0.00 177.57 178.04 2x18 h ALA 106 N 1.06 0.87 -0.38 1.67 0.00 -0.88 -1.74 119.26 119.86 2x18 h ALA 106 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2x18 h ALA 106 Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2x18 h ALA 106 CO -0.02 0.15 0.23 -0.44 0.00 0.00 0.00 179.25 179.17 2x18 h ASP 107 N 0.78 0.46 -0.82 0.00 3.32 -0.61 -2.41 116.42 117.13 2x18 h ASP 107 Ca 0.27 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.29 2x18 h ASP 107 Cb 0.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 2x18 h ASP 107 CO -0.12 0.37 0.55 -0.09 -1.72 0.00 0.00 179.24 178.22 2x18 h ARG 108 N 0.51 1.08 -0.77 3.56 2.43 -0.93 0.11 114.38 120.37 2x18 h ARG 108 Ca 0.14 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2x18 h ARG 108 Cb -0.01 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.26 2x18 h ARG 108 CO -0.03 0.72 0.38 -0.07 -1.51 0.00 0.00 179.97 179.46 2x18 h LEU 109 N 1.12 0.98 -0.35 3.80 3.38 -1.12 0.80 115.31 123.93 2x18 h LEU 109 Ca 0.30 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 2x18 h LEU 109 Cb -0.13 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 2x18 h LEU 109 CO -0.07 0.82 -0.43 -0.61 0.09 0.00 0.00 178.44 178.24 2x18 h GLN 110 N 1.08 0.91 -0.39 1.13 5.75 -0.86 -2.46 115.11 120.27 2x18 h GLN 110 Ca 0.27 -0.51 -0.14 0.00 -0.15 0.00 0.00 58.65 58.11 2x18 h GLN 110 Cb 0.09 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 2x18 h GLN 110 CO -0.04 1.16 -0.31 0.00 -2.65 0.00 0.00 178.83 176.99 2x18 h ARG 111 N 0.71 0.87 -0.78 1.69 2.47 -0.52 -2.74 114.38 116.08 2x18 h ARG 111 Ca 0.04 -0.41 -0.02 0.00 -1.26 0.00 0.00 59.98 58.33 2x18 h ARG 111 Cb 1.03 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.31 2x18 h ARG 111 CO 0.10 1.06 0.42 1.96 0.56 0.00 0.00 179.97 184.07 2x18 h GLN 112 N 0.73 1.09 0.04 0.04 4.20 -0.85 -1.79 115.11 118.57 2x18 h GLN 112 Ca 0.08 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2x18 h GLN 112 Cb 0.88 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 2x18 h GLN 112 CO 0.08 0.81 -0.05 1.49 -0.67 0.00 0.00 178.83 180.49 2x18 h GLU 113 N 1.08 -0.10 -0.69 1.46 4.57 -1.27 -2.55 114.58 117.08 2x18 h GLU 113 Ca 0.27 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.54 2x18 h GLU 113 Cb 0.05 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 2x18 h GLU 113 CO -0.04 -0.07 0.34 0.93 -1.18 0.00 0.00 179.01 179.00 2x18 h GLU 114 N -0.10 0.58 0.00 1.92 5.08 -1.33 -0.24 114.58 120.49 2x18 h GLU 114 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2x18 h GLU 114 Cb 0.10 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2x18 h GLU 114 CO -0.02 0.38 0.00 0.93 -1.00 0.00 0.00 179.01 179.31 2x18 h GLU 115 N 0.60 0.00 -0.01 2.33 5.08 -1.08 -1.69 114.58 119.81 2x18 h GLU 115 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2x18 h GLU 115 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2x18 h GLU 115 CO -0.25 0.00 -0.10 0.54 -1.00 0.00 0.00 179.01 178.19 2x18 n ARG 116 N -3.01 0.92 -4.18 2.33 1.74 -0.11 -4.99 116.66 109.36 2x18 n ARG 116 Ca -0.02 -0.38 -0.23 0.00 -0.77 0.00 0.00 57.85 56.46 2x18 n ARG 116 Cb 0.15 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 2x18 n ARG 116 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2x18 s MET 117 N -2.34 2.68 0.00 5.56 -1.94 -0.64 -5.12 119.30 117.49 2x18 s MET 117 Ca 0.32 -1.17 0.12 0.00 -1.71 0.00 0.00 55.69 53.25 2x18 s MET 117 Cb 0.20 -2.42 0.74 0.00 2.01 0.00 0.00 34.83 35.37 2x18 s MET 117 CO 0.45 0.40 1.17 0.09 -0.01 0.00 0.00 175.02 177.12