#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p18 n GLU 6 N 0.00 0.69 -0.08 -0.72 4.07 -1.26 -1.97 120.64 121.37 1p18 n GLU 6 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1p18 n GLU 6 Cb 0.00 -1.06 0.11 0.00 -0.06 0.00 0.00 31.44 30.43 1p18 n GLU 6 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1p18 n PHE 7 N -0.38 0.22 -4.91 4.31 1.16 -1.26 -4.95 117.46 111.64 1p18 n PHE 7 Ca 0.00 -0.17 -0.33 0.00 -1.87 0.00 0.00 57.45 55.09 1p18 n PHE 7 Cb 0.03 -0.01 -0.13 0.00 -1.61 0.00 0.00 39.48 37.76 1p18 n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1p18 s ALA 8 N -1.19 2.64 -0.34 1.98 0.00 -0.83 -1.04 121.76 122.98 1p18 s ALA 8 Ca 0.23 -0.98 0.23 0.00 0.00 0.00 0.00 51.96 51.43 1p18 s ALA 8 Cb 0.14 -0.95 0.16 0.00 0.00 0.00 0.00 23.12 22.47 1p18 s ALA 8 CO 0.20 0.55 1.29 0.93 0.00 0.00 0.00 175.76 178.74 1p18 h GLU 9 N 5.36 0.00 -1.57 0.00 3.07 -0.83 -3.43 114.58 117.19 1p18 h GLU 9 Ca -0.46 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 58.62 1p18 h GLU 9 Cb 1.15 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.87 1p18 h GLU 9 CO 0.50 0.00 0.76 0.21 -1.40 0.00 0.00 179.01 179.08 1p18 s LYS 10 N -3.29 0.38 -0.24 2.33 2.20 -1.25 -5.01 119.74 114.86 1p18 s LYS 10 Ca 0.03 -0.12 -0.15 0.00 -0.36 0.00 0.00 55.97 55.37 1p18 s LYS 10 Cb 0.08 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 1p18 s LYS 10 CO 0.74 -0.16 0.37 0.42 -0.36 0.00 0.00 175.35 176.35 1p18 s ILE 11 N -2.37 5.20 -0.15 5.43 -1.09 -1.26 -1.11 121.20 125.85 1p18 s ILE 11 Ca 0.08 0.59 -0.10 0.00 -2.23 0.00 0.00 60.65 58.99 1p18 s ILE 11 Cb -0.01 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.13 1p18 s ILE 11 CO -0.05 0.20 -0.11 -0.07 -1.23 0.00 0.00 174.94 173.68 1p18 h LEU 12 N 8.18 0.00 -7.71 2.97 3.38 -1.66 -3.48 115.31 116.99 1p18 h LEU 12 Ca -0.34 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.34 1p18 h LEU 12 Cb 1.16 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.63 1p18 h LEU 12 CO 0.67 0.82 -0.71 -0.36 0.09 0.00 0.00 178.44 178.95 1p18 s PHE 13 N -2.21 -0.01 0.50 1.13 0.40 -0.87 -5.03 117.98 111.90 1p18 s PHE 13 Ca -0.15 0.03 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1p18 s PHE 13 Cb 0.02 -0.01 -0.01 0.00 0.51 0.00 0.00 43.02 43.53 1p18 s PHE 13 CO 0.25 -0.01 0.78 0.95 0.70 0.00 0.00 175.22 177.89 1p18 s THR 14 N 0.08 4.31 0.36 0.64 -4.23 -1.26 -1.14 115.64 114.40 1p18 s THR 14 Ca -0.01 -0.08 0.12 0.00 -1.18 0.00 0.00 61.69 60.55 1p18 s THR 14 Cb -0.01 -3.64 0.35 0.00 1.34 0.00 0.00 72.50 70.53 1p18 s THR 14 CO -0.00 -0.58 1.79 -0.08 -0.54 0.00 0.00 174.62 175.20 1p18 h GLU 15 N 0.18 0.54 -0.08 3.99 4.81 -1.95 -0.09 114.58 121.98 1p18 h GLU 15 Ca -0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1p18 h GLU 15 Cb 1.23 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1p18 h GLU 15 CO 0.60 0.36 0.00 0.93 -0.73 0.00 0.00 179.01 180.17 1p18 h GLU 16 N 0.56 0.14 -0.88 1.92 3.07 -1.93 0.50 114.58 117.96 1p18 h GLU 16 Ca 0.57 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.36 1p18 h GLU 16 Cb 1.17 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 1p18 h GLU 16 CO -0.32 0.41 0.45 0.93 -1.40 0.00 0.00 179.01 179.08 1p18 h GLU 17 N -0.14 1.25 -0.38 2.33 5.08 -1.72 -1.07 114.58 119.93 1p18 h GLU 17 Ca 0.02 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1p18 h GLU 17 Cb 0.34 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1p18 h GLU 17 CO 0.00 0.93 0.16 0.82 -1.00 0.00 0.00 179.01 179.93 1p18 h ILE 18 N 1.24 1.18 0.08 3.13 2.04 -0.94 -2.02 117.51 122.22 1p18 h ILE 18 Ca 0.31 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1p18 h ILE 18 Cb 0.07 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1p18 h ILE 18 CO -0.04 0.20 -0.16 -0.09 0.00 0.00 0.00 178.15 178.06 1p18 h ARG 19 N 0.46 -0.29 0.21 2.37 2.43 -0.45 -1.22 114.38 117.89 1p18 h ARG 19 Ca 0.13 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1p18 h ARG 19 Cb 0.16 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1p18 h ARG 19 CO -0.01 -0.20 -0.41 1.15 -1.51 0.00 0.00 179.97 178.99 1p18 h THR 20 N -0.30 0.18 -0.61 0.20 2.02 -1.07 -2.10 112.91 111.22 1p18 h THR 20 Ca 0.03 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.28 1p18 h THR 20 Cb 0.33 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1p18 h THR 20 CO -0.10 0.00 0.29 0.03 0.37 0.00 0.00 175.52 176.12 1p18 h ARG 21 N -0.70 0.51 -0.68 6.66 2.47 -1.26 -1.76 114.38 119.62 1p18 h ARG 21 Ca 0.00 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.76 1p18 h ARG 21 Cb 0.69 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.84 1p18 h ARG 21 CO -0.18 0.34 0.37 0.82 0.56 0.00 0.00 179.97 181.88 1p18 h ILE 22 N 0.53 0.93 -0.52 2.04 2.04 -0.86 0.17 117.51 121.85 1p18 h ILE 22 Ca 0.29 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 1p18 h ILE 22 Cb 0.27 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1p18 h ILE 22 CO -0.23 0.12 0.26 0.50 0.00 0.00 0.00 178.15 178.80 1p18 h LYS 23 N 0.67 0.71 -0.10 2.37 1.63 -0.66 0.31 116.57 121.50 1p18 h LYS 23 Ca 0.32 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.01 1p18 h LYS 23 Cb 0.24 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1p18 h LYS 23 CO -0.21 0.54 -0.06 0.93 -3.45 0.00 0.00 179.45 177.21 1p18 h GLU 24 N 0.72 0.22 -0.35 1.90 5.08 -0.53 -0.92 114.58 120.69 1p18 h GLU 24 Ca 0.18 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1p18 h GLU 24 Cb 0.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1p18 h GLU 24 CO -0.03 0.58 0.18 0.28 -1.00 0.00 0.00 179.01 179.02 1p18 h VAL 25 N -0.15 0.98 -0.79 3.13 2.07 0.12 -1.57 116.25 120.04 1p18 h VAL 25 Ca 0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1p18 h VAL 25 Cb 0.52 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1p18 h VAL 25 CO 0.02 0.07 0.52 0.00 0.02 0.00 0.00 177.57 178.19 1p18 h ALA 26 N 1.19 1.52 -0.43 1.67 0.00 -0.26 -1.34 119.26 121.60 1p18 h ALA 26 Ca 0.15 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1p18 h ALA 26 Cb 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1p18 h ALA 26 CO -0.10 0.41 -0.30 -0.22 0.00 0.00 0.00 179.25 179.04 1p18 h LYS 27 N 0.98 0.96 0.28 0.00 3.64 -0.56 -0.65 116.57 121.23 1p18 h LYS 27 Ca 0.31 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1p18 h LYS 27 Cb 0.03 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1p18 h LYS 27 CO -0.09 1.12 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.98 1p18 h ARG 28 N 0.81 -0.37 -0.44 1.90 9.65 -0.65 -2.12 114.38 123.17 1p18 h ARG 28 Ca 0.09 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.08 1p18 h ARG 28 Cb 0.88 0.08 -0.08 0.00 -1.39 0.00 0.00 29.97 29.46 1p18 h ARG 28 CO 0.08 -0.24 -0.11 0.82 2.80 0.00 0.00 179.97 183.32 1p18 h ILE 29 N -0.39 0.55 -0.50 1.20 2.04 -1.17 0.52 117.51 119.76 1p18 h ILE 29 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1p18 h ILE 29 Cb 0.30 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1p18 h ILE 29 CO 0.06 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.33 1p18 h ALA 30 N 1.42 0.57 -0.16 1.87 0.00 -0.92 -1.45 119.26 120.61 1p18 h ALA 30 Ca 0.21 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1p18 h ALA 30 Cb 0.33 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1p18 h ALA 30 CO -0.45 -0.29 0.05 -0.44 0.00 0.00 0.00 179.25 178.12 1p18 h ASP 31 N 0.26 0.23 -0.25 0.00 3.45 -0.63 -2.03 116.42 117.45 1p18 h ASP 31 Ca 0.25 -0.19 0.07 0.00 0.43 0.00 0.00 57.03 57.58 1p18 h ASP 31 Cb 0.32 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 1p18 h ASP 31 CO -0.31 0.36 0.22 0.44 -1.57 0.00 0.00 179.24 178.38 1p18 h ASP 32 N 0.08 0.00 -0.26 6.45 5.19 -0.30 -2.03 116.42 125.55 1p18 h ASP 32 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1p18 h ASP 32 Cb 0.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.72 1p18 h ASP 32 CO -0.00 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.90 1p18 n TYR 33 N -4.09 0.33 0.20 4.55 4.02 -0.60 -4.57 117.16 117.00 1p18 n TYR 33 Ca 0.03 -0.22 0.18 0.00 -0.01 0.00 0.00 57.90 57.88 1p18 n TYR 33 Cb 0.36 -0.01 0.83 0.00 -0.02 0.00 0.00 39.34 40.51 1p18 n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1p18 h LYS 34 N 3.35 0.00 0.05 -0.72 1.57 -0.62 -2.24 116.57 117.97 1p18 h LYS 34 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 1p18 h LYS 34 Cb 0.80 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1p18 h LYS 34 CO 0.00 0.00 -1.63 0.78 -0.57 0.00 0.00 179.45 178.03 1p18 h GLY 35 N 0.00 0.13 0.86 3.86 0.00 -1.81 -3.37 103.07 102.74 1p18 h GLY 35 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1p18 h GLY 35 CO -0.00 0.29 0.00 0.58 0.00 0.00 0.00 176.54 177.41 1p18 n LYS 36 N -3.27 0.17 -3.87 4.80 0.00 -0.84 -4.86 118.16 110.29 1p18 n LYS 36 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.88 1p18 n LYS 36 Cb 1.04 -1.43 0.01 0.00 -0.00 0.00 0.00 35.03 34.65 1p18 n LYS 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1p18 n GLY 37 N -0.61 -0.34 3.68 2.58 0.00 -1.26 -4.89 105.19 104.35 1p18 n GLY 37 Ca 0.03 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1p18 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p18 s LEU 38 N -6.97 4.38 0.01 0.99 1.43 -1.26 -4.86 118.68 112.41 1p18 s LEU 38 Ca 0.24 2.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.92 1p18 s LEU 38 Cb -0.12 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.54 1p18 s LEU 38 CO 0.85 -0.97 -0.06 -0.13 0.23 0.00 0.00 176.35 176.27 1p18 s ARG 39 N 3.38 0.47 0.49 1.70 1.81 0.22 -4.71 118.95 122.31 1p18 s ARG 39 Ca 0.79 -0.32 -0.23 0.00 -1.72 0.00 0.00 55.73 54.25 1p18 s ARG 39 Cb -0.41 -0.42 -0.08 0.00 -0.45 0.00 0.00 34.95 33.60 1p18 s ARG 39 CO 0.35 0.11 1.25 -0.35 -0.68 0.00 0.00 175.30 175.98 1p18 n PRO 40 N 2.64 1.70 0.00 3.54 -0.04 -1.26 0.29 135.00 141.86 1p18 n PRO 40 Ca -0.15 0.61 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1p18 n PRO 40 Cb 0.57 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1p18 n PRO 40 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1p18 n TYR 41 N -0.69 0.00 0.00 0.54 4.02 -1.26 -4.38 117.16 115.39 1p18 n TYR 41 Ca 0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.76 1p18 n TYR 41 Cb 0.42 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.60 1p18 n TYR 41 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1p18 h VAL 42 N 0.00 0.79 -1.75 -0.72 -1.51 -2.01 -3.44 116.25 107.61 1p18 h VAL 42 Ca 0.00 -2.36 -0.50 0.00 -1.23 0.00 0.00 66.70 62.61 1p18 h VAL 42 Cb 0.00 2.55 -0.36 0.00 -2.13 0.00 0.00 31.29 31.35 1p18 h VAL 42 CO 0.00 0.78 -1.05 -3.20 -1.23 0.00 0.00 177.57 172.87 1p18 n ASN 43 N -3.71 -0.08 -4.94 4.19 5.15 0.15 -4.96 115.26 111.06 1p18 n ASN 43 Ca -0.29 -2.84 -0.25 0.00 -0.60 0.00 0.00 54.58 50.60 1p18 n ASN 43 Cb 0.98 -0.32 0.01 0.00 -0.53 0.00 0.00 39.78 39.92 1p18 n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1p18 s PRO 44 N -1.19 3.17 -0.30 1.20 0.04 -0.94 0.71 135.00 137.69 1p18 s PRO 44 Ca 0.35 -0.24 -0.29 0.00 0.04 0.00 0.00 61.00 60.86 1p18 s PRO 44 Cb 0.21 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.29 1p18 s PRO 44 CO -0.12 -0.30 1.15 -1.17 0.04 0.00 0.00 177.00 176.61 1p18 s LEU 45 N -4.65 3.94 -0.21 -3.56 2.96 0.35 -4.40 118.68 113.10 1p18 s LEU 45 Ca 0.48 1.15 -0.21 0.00 -0.22 0.00 0.00 54.13 55.34 1p18 s LEU 45 Cb -0.10 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 1p18 s LEU 45 CO 0.40 -0.92 0.64 -0.69 -1.32 0.00 0.00 176.35 174.46 1p18 s VAL 46 N 3.83 5.00 -0.35 1.68 1.01 -0.13 -0.34 120.40 131.10 1p18 s VAL 46 Ca 0.49 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 1p18 s VAL 46 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1p18 s VAL 46 CO 0.17 0.08 0.21 -0.76 0.00 0.00 0.00 175.10 174.80 1p18 s LEU 47 N 2.11 4.53 -0.84 3.92 1.43 0.60 -0.02 118.68 130.41 1p18 s LEU 47 Ca 0.28 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 1p18 s LEU 47 Cb -0.16 -2.06 0.21 0.00 0.03 0.00 0.00 46.19 44.21 1p18 s LEU 47 CO 0.10 -0.30 0.79 -0.63 0.23 0.00 0.00 176.35 176.54 1p18 s ILE 48 N 1.63 5.56 -0.21 -0.59 1.01 -0.32 -0.20 121.20 128.09 1p18 s ILE 48 Ca 0.04 -2.42 -0.29 0.00 0.00 0.00 0.00 60.65 57.98 1p18 s ILE 48 Cb -0.18 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.79 1p18 s ILE 48 CO 0.08 -1.06 1.36 -0.55 0.00 0.00 0.00 174.94 174.77 1p18 s SER 49 N 2.25 6.74 -0.40 3.58 0.15 0.62 -0.92 113.70 125.72 1p18 s SER 49 Ca 0.19 1.55 -0.25 0.00 0.70 0.00 0.00 55.95 58.14 1p18 s SER 49 Cb -0.10 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1p18 s SER 49 CO -0.09 -0.96 0.91 -0.69 1.20 0.00 0.00 173.24 173.61 1p18 s VAL 50 N 4.11 4.56 0.73 4.45 1.01 -0.33 -1.76 120.40 133.17 1p18 s VAL 50 Ca 0.59 1.01 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1p18 s VAL 50 Cb -0.21 -4.36 0.04 0.00 0.00 0.00 0.00 36.38 31.85 1p18 s VAL 50 CO 0.21 -0.63 1.10 -0.76 0.00 0.00 0.00 175.10 175.02 1p18 s LEU 51 N 3.54 3.16 -0.20 3.92 1.43 -0.25 -3.44 118.68 126.84 1p18 s LEU 51 Ca 0.37 1.90 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1p18 s LEU 51 Cb -0.11 -4.53 -0.21 0.00 0.03 0.00 0.00 46.19 41.36 1p18 s LEU 51 CO 0.21 -1.91 0.03 0.54 0.23 0.00 0.00 176.35 175.45 1p18 n ARG 52 N -3.13 0.68 -0.32 1.70 1.74 -1.26 -4.71 116.66 111.36 1p18 n ARG 52 Ca 0.10 0.17 0.19 0.00 -0.77 0.00 0.00 57.85 57.53 1p18 n ARG 52 Cb 0.53 -1.59 0.38 0.00 -1.02 0.00 0.00 32.46 30.76 1p18 n ARG 52 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1p18 h GLY 53 N 2.16 1.69 1.90 -0.13 0.00 -1.76 -1.39 103.07 105.55 1p18 h GLY 53 Ca -0.51 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1p18 h GLY 53 CO -0.01 -0.45 0.05 1.76 0.00 0.00 0.00 176.54 177.88 1p18 h SER 54 N 0.23 0.00 -0.75 0.19 0.02 -1.86 -3.21 113.55 108.17 1p18 h SER 54 Ca 0.65 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.76 1p18 h SER 54 Cb 1.41 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.84 1p18 h SER 54 CO -0.66 0.00 0.20 2.19 -1.14 0.00 0.00 176.83 177.42 1p18 h PHE 55 N 0.00 0.32 -0.05 3.45 -5.15 -1.51 0.37 116.94 114.37 1p18 h PHE 55 Ca 0.00 0.04 -0.02 0.00 -0.20 0.00 0.00 57.97 57.79 1p18 h PHE 55 Cb 0.10 -0.02 -0.00 0.00 0.22 0.00 0.00 35.95 36.25 1p18 h PHE 55 CO 0.00 -0.08 -0.06 1.98 -2.00 0.00 0.00 178.31 178.16 1p18 h MET 56 N 0.29 0.12 -0.28 6.09 4.05 -1.81 -2.01 114.93 121.39 1p18 h MET 56 Ca 0.43 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.82 1p18 h MET 56 Cb 0.74 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.50 1p18 h MET 56 CO -0.51 0.60 0.03 0.35 0.23 0.00 0.00 176.91 177.61 1p18 h PHE 57 N -0.34 0.04 -0.96 1.39 3.57 -1.63 -2.08 116.94 116.92 1p18 h PHE 57 Ca 0.01 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1p18 h PHE 57 Cb 0.58 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 1p18 h PHE 57 CO 0.10 -0.01 0.63 1.15 -2.23 0.00 0.00 178.31 177.95 1p18 h THR 58 N 0.12 1.14 -0.50 4.41 2.02 -0.29 -1.01 112.91 118.81 1p18 h THR 58 Ca 0.13 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1p18 h THR 58 Cb 0.15 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1p18 h THR 58 CO -0.19 0.22 0.16 0.00 0.37 0.00 0.00 175.52 176.08 1p18 h ALA 59 N 1.45 0.65 0.01 6.16 0.00 -0.68 -1.44 119.26 125.41 1p18 h ALA 59 Ca 0.39 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 1p18 h ALA 59 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1p18 h ALA 59 CO -0.13 0.30 -0.91 -0.44 0.00 0.00 0.00 179.25 178.07 1p18 h ASP 60 N 0.67 0.34 0.04 0.00 3.32 -1.16 -3.26 116.42 116.38 1p18 h ASP 60 Ca 0.16 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1p18 h ASP 60 Cb 0.26 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1p18 h ASP 60 CO -0.01 1.09 -0.02 0.25 -1.72 0.00 0.00 179.24 178.83 1p18 h LEU 61 N 0.14 -0.05 -1.81 1.55 5.85 -1.09 -2.16 115.31 117.74 1p18 h LEU 61 Ca -0.06 -0.47 0.11 0.00 0.84 0.00 0.00 57.88 58.30 1p18 h LEU 61 Cb 1.55 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 1p18 h LEU 61 CO 0.14 0.46 0.36 0.00 -0.34 0.00 0.00 178.44 179.06 1p18 h ARG 63 N 0.21 0.61 -0.28 0.00 3.08 -1.57 -1.15 114.38 115.28 1p18 h ARG 63 Ca 0.24 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.85 1p18 h ARG 63 Cb 0.68 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1p18 h ARG 63 CO -0.04 1.00 -0.05 0.00 -1.07 0.00 0.00 179.97 179.81 1p18 h ALA 64 N 0.92 0.39 -0.76 0.04 0.00 0.17 -1.89 119.26 118.14 1p18 h ALA 64 Ca 0.01 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1p18 h ALA 64 Cb 1.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 1p18 h ALA 64 CO 0.11 0.18 0.47 -0.07 0.00 0.00 0.00 179.25 179.94 1p18 h LEU 65 N 0.30 0.76 -1.50 0.00 3.38 -0.50 -0.86 115.31 116.89 1p18 h LEU 65 Ca 0.07 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1p18 h LEU 65 Cb 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1p18 h LEU 65 CO 0.02 0.51 0.35 0.00 0.09 0.00 0.00 178.44 179.41 1p18 h ASP 67 N 0.68 0.34 -0.70 0.00 3.32 -0.33 -0.36 116.42 119.37 1p18 h ASP 67 Ca 0.20 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 1p18 h ASP 67 Cb -0.04 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.33 1p18 h ASP 67 CO -0.05 0.27 0.22 0.49 -1.72 0.00 0.00 179.24 178.45 1p18 n PHE 68 N -4.47 2.35 -3.29 4.55 3.01 -0.22 -4.94 117.46 114.45 1p18 n PHE 68 Ca 0.01 -1.08 -0.23 0.00 1.01 0.00 0.00 57.45 57.16 1p18 n PHE 68 Cb 0.09 -0.65 0.01 0.00 -0.01 0.00 0.00 39.48 38.93 1p18 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1p18 n ASN 69 N 0.03 -4.68 -4.57 4.37 5.03 -0.15 -4.95 115.26 110.35 1p18 n ASN 69 Ca 0.37 -0.39 -0.41 0.00 0.87 0.00 0.00 54.58 55.03 1p18 n ASN 69 Cb 1.33 -3.82 -0.08 0.00 -1.02 0.00 0.00 39.78 36.19 1p18 n ASN 69 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1p18 s VAL 70 N -3.05 5.09 -0.14 2.41 1.01 -0.51 -4.99 120.40 120.23 1p18 s VAL 70 Ca 0.39 0.35 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 1p18 s VAL 70 Cb -0.19 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1p18 s VAL 70 CO 0.48 -0.09 1.30 -2.16 0.00 0.00 0.00 175.10 174.64 1p18 s PRO 71 N 2.23 4.24 0.33 2.72 0.04 -1.26 -4.29 135.00 139.00 1p18 s PRO 71 Ca 0.16 1.72 0.10 0.00 0.04 0.00 0.00 61.00 63.02 1p18 s PRO 71 Cb -0.16 -3.77 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 1p18 s PRO 71 CO 0.12 -0.70 -0.06 0.14 0.04 0.00 0.00 177.00 176.54 1p18 s VAL 72 N 3.43 2.52 -0.07 -0.36 -7.23 -1.26 -0.50 120.40 116.93 1p18 s VAL 72 Ca 0.57 -2.13 -0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1p18 s VAL 72 Cb -0.23 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.07 1p18 s VAL 72 CO 0.17 -0.25 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.09 1p18 s ARG 73 N -3.64 0.81 -0.17 4.82 3.52 0.54 -4.78 118.95 120.05 1p18 s ARG 73 Ca 0.33 -0.01 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 1p18 s ARG 73 Cb -0.00 -1.01 -0.04 0.00 -1.56 0.00 0.00 34.95 32.33 1p18 s ARG 73 CO 0.18 -0.22 0.40 -1.64 -0.81 0.00 0.00 175.30 173.20 1p18 s MET 74 N 1.58 4.25 -0.12 5.12 -1.94 -1.26 -0.29 119.30 126.65 1p18 s MET 74 Ca -0.00 0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.25 1p18 s MET 74 Cb -0.13 -3.48 0.02 0.00 2.01 0.00 0.00 34.83 33.25 1p18 s MET 74 CO -0.04 0.09 -0.15 -1.21 -0.01 0.00 0.00 175.02 173.70 1p18 s GLU 75 N 0.89 2.26 -0.14 2.03 0.41 0.72 -4.97 118.70 119.90 1p18 s GLU 75 Ca 0.21 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 54.15 1p18 s GLU 75 Cb -0.14 -1.94 -0.03 0.00 -1.78 0.00 0.00 34.13 30.23 1p18 s GLU 75 CO 0.08 -0.09 0.01 -0.06 -0.49 0.00 0.00 175.26 174.71 1p18 s PHE 76 N 1.06 3.15 0.09 1.61 0.40 -1.26 -0.28 117.98 122.75 1p18 s PHE 76 Ca -0.05 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1p18 s PHE 76 Cb -0.15 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 1p18 s PHE 76 CO -0.03 0.19 -0.19 0.96 0.70 0.00 0.00 175.22 176.86 1p18 s ILE 77 N -0.04 1.51 -0.11 0.64 -4.36 -0.72 -4.56 121.20 113.55 1p18 s ILE 77 Ca 0.04 -1.45 -0.00 0.00 -0.26 0.00 0.00 60.65 58.97 1p18 s ILE 77 Cb -0.13 -1.39 0.02 0.00 1.25 0.00 0.00 42.46 42.22 1p18 s ILE 77 CO 0.02 -0.11 -0.08 0.00 0.24 0.00 0.00 174.94 175.01 1p18 s VAL 79 N 1.60 3.77 -0.01 0.00 -7.23 -1.26 0.14 120.40 117.42 1p18 s VAL 79 Ca 0.03 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 1p18 s VAL 79 Cb -0.13 -3.07 0.00 0.00 0.56 0.00 0.00 36.38 33.74 1p18 s VAL 79 CO -0.07 -0.34 0.05 -0.55 -0.31 0.00 0.00 175.10 173.88 1p18 s SER 80 N -3.76 0.01 0.32 4.85 0.15 0.07 -4.88 113.70 110.45 1p18 s SER 80 Ca 0.33 -0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.66 1p18 s SER 80 Cb -0.07 0.12 -0.10 0.00 -1.71 0.00 0.00 66.02 64.26 1p18 s SER 80 CO 0.22 -0.10 1.36 -0.55 1.20 0.00 0.00 173.24 175.37 1p18 s SER 81 N -0.37 6.70 0.04 5.45 0.15 -1.26 -0.40 113.70 124.01 1p18 s SER 81 Ca -0.04 2.72 0.28 0.00 0.70 0.00 0.00 55.95 59.60 1p18 s SER 81 Cb -0.03 -2.64 1.00 0.00 -1.71 0.00 0.00 66.02 62.64 1p18 s SER 81 CO 0.00 -0.61 1.79 -1.22 1.20 0.00 0.00 173.24 174.40 1p18 n TYR 82 N 1.14 0.19 0.00 3.44 4.02 -1.26 -4.84 117.16 119.85 1p18 n TYR 82 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 1p18 n TYR 82 Cb 0.41 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 1p18 n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1p18 n GLY 83 N 1.46 3.48 3.71 2.72 0.00 -1.26 -4.91 105.19 110.40 1p18 n GLY 83 Ca 0.06 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1p18 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p18 s GLU 84 N -3.43 4.23 -1.20 1.61 0.41 -1.26 -2.95 118.70 116.10 1p18 s GLU 84 Ca 0.00 2.31 -0.05 0.00 -0.41 0.00 0.00 54.97 56.82 1p18 s GLU 84 Cb 0.00 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.09 1p18 s GLU 84 CO 0.00 -0.61 0.61 0.41 -0.49 0.00 0.00 175.26 175.18 1p18 n GLY 85 N 3.76 -0.27 0.07 -1.39 0.00 -1.26 -4.92 105.19 101.18 1p18 n GLY 85 Ca 0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1p18 n GLY 85 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1p18 n LEU 86 N -3.50 0.85 -0.02 0.99 -0.00 -1.15 -4.90 117.00 109.27 1p18 n LEU 86 Ca -0.06 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.01 55.87 1p18 n LEU 86 Cb 0.58 0.06 -0.02 0.00 -0.00 0.00 0.00 43.42 44.05 1p18 n LEU 86 CO 0.42 0.43 -0.59 1.07 -0.00 0.00 0.00 177.39 178.72 1p18 n THR 87 N -2.60 0.50 0.00 1.47 5.66 -1.26 -5.00 114.28 113.05 1p18 n THR 87 Ca -0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1p18 n THR 87 Cb 0.87 -1.61 0.00 0.00 -1.55 0.00 0.00 70.33 68.04 1p18 n THR 87 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1p18 n SER 88 N -3.34 0.00 0.00 1.09 2.88 -1.26 -4.59 113.62 108.40 1p18 n SER 88 Ca -0.10 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.45 1p18 n SER 88 Cb 0.49 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.99 1p18 n SER 88 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1p18 n SER 89 N 2.63 0.00 -0.07 -3.46 2.88 -1.26 -4.76 113.62 109.58 1p18 n SER 89 Ca 0.00 -0.12 -0.01 0.00 -1.33 0.00 0.00 58.87 57.41 1p18 n SER 89 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1p18 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p18 n GLY 90 N -0.63 0.48 3.75 0.46 0.00 -1.26 -4.66 105.19 103.33 1p18 n GLY 90 Ca 0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1p18 n GLY 90 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p18 n GLN 91 N -2.47 2.65 -4.20 1.61 6.02 -1.26 -4.15 117.38 115.57 1p18 n GLN 91 Ca -0.01 0.94 -0.15 0.00 -0.01 0.00 0.00 57.00 57.77 1p18 n GLN 91 Cb 0.09 -2.69 -0.11 0.00 1.02 0.00 0.00 30.24 28.56 1p18 n GLN 91 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1p18 s VAL 92 N -0.45 1.04 -0.05 5.09 -7.23 -1.26 -4.58 120.40 112.95 1p18 s VAL 92 Ca 0.60 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 1p18 s VAL 92 Cb -0.50 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.97 1p18 s VAL 92 CO 0.55 -0.55 0.97 -0.60 -0.31 0.00 0.00 175.10 175.16 1p18 s ARG 93 N -2.88 4.49 -0.35 4.82 3.52 0.46 -4.86 118.95 124.15 1p18 s ARG 93 Ca 0.07 1.37 -0.25 0.00 -0.13 0.00 0.00 55.73 56.79 1p18 s ARG 93 Cb -0.03 -3.50 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1p18 s ARG 93 CO 0.01 -0.16 0.90 -1.64 -0.81 0.00 0.00 175.30 173.59 1p18 s MET 94 N 1.45 3.87 -0.15 5.12 -1.94 -1.26 -0.75 119.30 125.63 1p18 s MET 94 Ca 0.49 0.59 -0.07 0.00 -1.71 0.00 0.00 55.69 54.99 1p18 s MET 94 Cb -0.20 -3.79 -0.24 0.00 2.01 0.00 0.00 34.83 32.62 1p18 s MET 94 CO 0.23 -0.89 0.24 1.28 -0.01 0.00 0.00 175.02 175.87 1p18 n LEU 95 N 6.65 2.60 -3.67 -0.03 4.77 0.12 -4.88 117.00 122.56 1p18 n LEU 95 Ca 0.06 0.18 -0.18 0.00 -0.03 0.00 0.00 56.01 56.05 1p18 n LEU 95 Cb 0.48 -1.07 -0.16 0.00 -2.33 0.00 0.00 43.42 40.34 1p18 n LEU 95 CO 0.56 0.80 -0.27 -0.22 -1.33 0.00 0.00 177.39 176.94 1p18 s LEU 96 N -7.06 0.03 0.57 2.23 2.96 -0.89 -4.93 118.68 111.59 1p18 s LEU 96 Ca -0.25 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 1p18 s LEU 96 Cb 0.07 0.15 0.07 0.00 0.50 0.00 0.00 46.19 46.98 1p18 s LEU 96 CO 0.72 -0.24 0.59 -0.62 -1.32 0.00 0.00 176.35 175.47 1p18 s ASP 97 N 2.20 4.79 0.46 3.68 -1.08 -1.26 -0.56 116.67 124.90 1p18 s ASP 97 Ca 0.03 -1.12 -0.24 0.00 -0.52 0.00 0.00 52.55 50.69 1p18 s ASP 97 Cb -0.12 0.48 -0.08 0.00 -1.46 0.00 0.00 42.92 41.74 1p18 s ASP 97 CO -0.05 -1.27 1.32 0.35 0.52 0.00 0.00 175.17 176.05 1p18 n THR 98 N -2.01 2.90 0.08 1.71 -2.24 -1.26 -4.81 114.28 108.65 1p18 n THR 98 Ca 0.06 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1p18 n THR 98 Cb 0.63 -1.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.18 1p18 n THR 98 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1p18 h ARG 99 N 1.97 0.19 -6.18 -0.78 -0.00 -1.95 -3.46 114.38 104.17 1p18 h ARG 99 Ca -0.49 -0.22 -0.55 0.00 -0.00 0.00 0.00 59.98 58.72 1p18 h ARG 99 Cb 1.29 0.07 -0.08 0.00 -0.00 0.00 0.00 29.97 31.24 1p18 h ARG 99 CO 0.59 0.98 -0.61 -1.01 -0.00 0.00 0.00 179.97 179.93 1p18 s HIS 100 N -3.11 2.76 0.34 4.08 3.76 -1.26 -5.11 115.29 116.75 1p18 s HIS 100 Ca -0.03 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.38 1p18 s HIS 100 Cb 0.10 -1.31 -0.09 0.00 1.11 0.00 0.00 32.58 32.39 1p18 s HIS 100 CO 0.83 0.56 1.06 -1.54 -0.85 0.00 0.00 174.74 174.79 1p18 s SER 101 N -3.73 7.01 0.00 1.40 1.04 -1.26 -4.93 113.70 113.23 1p18 s SER 101 Ca 0.33 2.11 0.22 0.00 0.48 0.00 0.00 55.95 59.09 1p18 s SER 101 Cb -0.06 -2.60 -0.08 0.00 0.10 0.00 0.00 66.02 63.38 1p18 s SER 101 CO 0.21 -0.31 1.02 2.30 0.98 0.00 0.00 173.24 177.44 1p18 n ILE 102 N 0.50 0.00 -1.68 -1.02 -5.35 -1.26 -4.89 119.36 105.66 1p18 n ILE 102 Ca 0.02 -0.10 -0.48 0.00 -0.27 0.00 0.00 62.75 61.92 1p18 n ILE 102 Cb 0.48 1.04 -0.05 0.00 -1.74 0.00 0.00 39.64 39.37 1p18 n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1p18 n GLU 103 N -0.90 2.17 -0.69 6.28 2.13 -1.24 0.27 120.64 128.66 1p18 n GLU 103 Ca 0.06 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1p18 n GLU 103 Cb 0.38 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.46 1p18 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p18 n GLY 104 N 4.31 0.79 3.68 8.31 0.00 0.04 -4.87 105.19 117.46 1p18 n GLY 104 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1p18 n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1p18 s HIS 105 N -2.99 2.88 -0.23 1.61 3.76 0.14 -3.87 115.29 116.60 1p18 s HIS 105 Ca 0.00 -0.13 -0.24 0.00 -0.15 0.00 0.00 55.06 54.54 1p18 s HIS 105 Cb 0.00 -1.38 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 1p18 s HIS 105 CO 0.00 0.52 0.81 -1.01 -0.85 0.00 0.00 174.74 174.22 1p18 s HIS 106 N -1.78 3.34 0.03 1.40 3.76 -1.26 0.72 115.29 121.50 1p18 s HIS 106 Ca 0.28 1.14 0.08 0.00 -0.15 0.00 0.00 55.06 56.42 1p18 s HIS 106 Cb -0.09 -3.02 -0.03 0.00 1.11 0.00 0.00 32.58 30.55 1p18 s HIS 106 CO 0.19 -0.35 -0.25 0.08 -0.85 0.00 0.00 174.74 173.56 1p18 s VAL 107 N 2.64 1.99 -0.15 -0.90 1.01 -0.29 -0.96 120.40 123.74 1p18 s VAL 107 Ca 0.35 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1p18 s VAL 107 Cb -0.16 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1p18 s VAL 107 CO 0.08 0.37 -0.03 -0.22 0.00 0.00 0.00 175.10 175.31 1p18 s LEU 108 N -1.09 1.35 0.16 3.92 2.96 0.97 -1.51 118.68 125.43 1p18 s LEU 108 Ca 0.10 -0.58 -0.28 0.00 -0.22 0.00 0.00 54.13 53.15 1p18 s LEU 108 Cb -0.10 -0.77 -0.07 0.00 0.50 0.00 0.00 46.19 45.75 1p18 s LEU 108 CO 0.01 -0.21 0.90 -0.63 -1.32 0.00 0.00 176.35 175.10 1p18 s ILE 109 N 1.73 4.36 -0.25 6.68 1.01 -0.47 -1.17 121.20 133.10 1p18 s ILE 109 Ca 0.01 1.96 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 1p18 s ILE 109 Cb -0.15 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.09 1p18 s ILE 109 CO -0.07 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.52 1p18 s VAL 110 N -0.62 2.67 0.14 2.92 1.01 -0.10 -0.91 120.40 125.52 1p18 s VAL 110 Ca 0.42 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1p18 s VAL 110 Cb -0.24 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1p18 s VAL 110 CO 0.29 0.17 -0.20 -1.61 0.00 0.00 0.00 175.10 173.75 1p18 s GLU 111 N 1.27 1.25 0.10 2.72 0.41 -0.84 -1.19 118.70 122.43 1p18 s GLU 111 Ca -0.01 -1.33 0.11 0.00 -0.41 0.00 0.00 54.97 53.33 1p18 s GLU 111 Cb -0.17 -1.42 -0.15 0.00 -1.78 0.00 0.00 34.13 30.61 1p18 s GLU 111 CO -0.05 0.31 1.09 0.38 -0.49 0.00 0.00 175.26 176.49 1p18 h ASP 112 N 3.56 0.00 -3.45 -0.19 2.03 -1.87 -2.53 116.42 113.97 1p18 h ASP 112 Ca -0.44 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.85 1p18 h ASP 112 Cb 1.20 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.48 1p18 h ASP 112 CO 0.46 0.84 0.06 -0.51 -1.03 0.00 0.00 179.24 179.06 1p18 s ILE 113 N -2.76 -0.00 -0.16 4.15 2.07 -1.26 -1.42 121.20 121.82 1p18 s ILE 113 Ca -0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1p18 s ILE 113 Cb 0.09 -0.99 -0.01 0.00 0.13 0.00 0.00 42.46 41.68 1p18 s ILE 113 CO 0.81 0.00 -0.09 0.54 -1.91 0.00 0.00 174.94 174.28 1p18 s VAL 114 N 1.06 3.26 0.00 4.00 0.11 -0.37 -4.98 120.40 123.48 1p18 s VAL 114 Ca -0.05 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1p18 s VAL 114 Cb -0.05 -2.41 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 1p18 s VAL 114 CO -0.10 0.50 0.00 -0.67 -3.33 0.00 0.00 175.10 171.49 1p18 n ASP 115 N 3.84 0.00 0.24 3.54 2.03 -1.26 -0.78 116.55 124.16 1p18 n ASP 115 Ca -0.18 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.24 1p18 n ASP 115 Cb 0.52 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.48 1p18 n ASP 115 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1p18 h THR 116 N 0.00 0.56 0.00 5.18 1.35 -1.87 -2.59 112.91 115.54 1p18 h THR 116 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1p18 h THR 116 Cb 0.00 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1p18 h THR 116 CO 0.00 0.19 0.00 0.00 -0.25 0.00 0.00 175.52 175.46 1p18 n ALA 117 N -2.24 0.00 -0.20 6.62 0.00 -1.26 -0.98 120.51 122.44 1p18 n ALA 117 Ca -0.01 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.44 1p18 n ALA 117 Cb 0.36 -0.56 0.11 0.00 0.00 0.00 0.00 19.45 19.36 1p18 n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1p18 h LEU 118 N 0.00 -0.02 -0.03 0.00 3.38 -1.90 0.18 115.31 116.92 1p18 h LEU 118 Ca 0.00 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1p18 h LEU 118 Cb 0.05 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p18 h LEU 118 CO 0.00 -0.00 -0.22 0.74 0.09 0.00 0.00 178.44 179.05 1p18 h THR 119 N 0.24 1.50 -0.73 0.22 2.02 -1.90 -2.61 112.91 111.65 1p18 h THR 119 Ca 0.31 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.75 1p18 h THR 119 Cb 0.47 2.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.40 1p18 h THR 119 CO -0.41 0.49 0.48 0.25 0.37 0.00 0.00 175.52 176.70 1p18 h LEU 120 N -0.41 0.80 -0.29 2.58 5.85 -1.83 0.13 115.31 122.14 1p18 h LEU 120 Ca -0.02 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.51 1p18 h LEU 120 Cb 0.91 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1p18 h LEU 120 CO 0.04 0.56 -0.50 -1.13 -0.34 0.00 0.00 178.44 177.08 1p18 h ASN 121 N 0.93 0.94 -0.38 1.25 -1.24 -0.70 -1.24 115.58 115.14 1p18 h ASN 121 Ca 0.28 -0.53 -0.01 0.00 0.71 0.00 0.00 56.30 56.76 1p18 h ASN 121 Cb -0.02 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.74 1p18 h ASN 121 CO -0.07 1.28 0.21 0.22 -1.29 0.00 0.00 177.43 177.79 1p18 h TYR 122 N 0.62 0.52 -0.79 0.67 3.20 -0.95 -1.51 116.97 118.73 1p18 h TYR 122 Ca 0.02 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1p18 h TYR 122 Cb 1.11 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 1p18 h TYR 122 CO 0.08 0.40 0.33 -0.07 -1.64 0.00 0.00 178.16 177.26 1p18 h LEU 123 N 0.49 1.06 -0.30 2.82 3.38 -0.71 0.12 115.31 122.18 1p18 h LEU 123 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1p18 h LEU 123 Cb 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1p18 h LEU 123 CO -0.02 0.93 0.12 0.22 0.09 0.00 0.00 178.44 179.78 1p18 h TYR 124 N 1.14 0.46 -0.22 1.13 3.20 -1.07 0.84 116.97 122.44 1p18 h TYR 124 Ca 0.27 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.03 1p18 h TYR 124 Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1p18 h TYR 124 CO 0.02 0.44 -0.18 0.45 -1.64 0.00 0.00 178.16 177.25 1p18 h HIS 125 N 0.34 0.42 0.26 -3.82 3.86 -0.87 -0.97 115.15 114.37 1p18 h HIS 125 Ca 0.10 -0.07 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1p18 h HIS 125 Cb 0.17 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1p18 h HIS 125 CO -0.01 0.55 -0.13 1.98 0.86 0.00 0.00 177.93 181.19 1p18 h MET 126 N 0.35 -0.34 -0.01 2.45 1.85 -0.38 -2.82 114.93 116.05 1p18 h MET 126 Ca 0.06 0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 59.11 1p18 h MET 126 Cb 0.52 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 1p18 h MET 126 CO 0.03 0.01 -0.31 1.88 -0.40 0.00 0.00 176.91 178.12 1p18 h TYR 127 N -0.77 0.02 -0.94 1.39 -1.99 -0.85 -2.14 116.97 111.69 1p18 h TYR 127 Ca -0.04 -0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.74 1p18 h TYR 127 Cb 0.50 -0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.17 1p18 h TYR 127 CO 0.04 0.33 0.61 0.35 -0.00 0.00 0.00 178.16 179.49 1p18 h PHE 128 N 0.01 1.12 0.00 4.88 3.57 -1.14 0.74 116.94 126.13 1p18 h PHE 128 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1p18 h PHE 128 Cb 0.56 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1p18 h PHE 128 CO 0.00 0.62 0.00 0.25 -2.23 0.00 0.00 178.31 176.95 1p18 n THR 129 N -4.46 1.00 0.94 4.41 -2.24 -0.81 -2.46 114.28 110.66 1p18 n THR 129 Ca 0.13 0.28 0.07 0.00 -2.27 0.00 0.00 64.05 62.26 1p18 n THR 129 Cb 0.14 -1.12 0.21 0.00 -2.10 0.00 0.00 70.33 67.47 1p18 n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1p18 n ARG 130 N -1.79 1.81 -3.50 -0.78 1.74 0.25 -4.96 116.66 109.43 1p18 n ARG 130 Ca 0.03 -1.26 -0.20 0.00 -0.77 0.00 0.00 57.85 55.65 1p18 n ARG 130 Cb 0.18 -1.31 0.06 0.00 -1.02 0.00 0.00 32.46 30.36 1p18 n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1p18 n ARG 131 N 0.51 -4.22 -1.76 5.56 -4.01 -1.03 -3.71 116.66 108.00 1p18 n ARG 131 Ca 0.13 0.73 -0.31 0.00 -1.04 0.00 0.00 57.85 57.36 1p18 n ARG 131 Cb 0.31 -5.41 0.03 0.00 -3.04 0.00 0.00 32.46 24.35 1p18 n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1p18 s PRO 132 N -5.39 3.25 0.65 2.89 0.04 -1.26 -0.78 135.00 134.41 1p18 s PRO 132 Ca 0.18 0.91 0.38 0.00 0.04 0.00 0.00 61.00 62.51 1p18 s PRO 132 Cb -0.04 -2.03 2.10 0.00 0.04 0.00 0.00 34.50 34.57 1p18 s PRO 132 CO 0.78 -0.85 2.23 0.00 0.04 0.00 0.00 177.00 179.20 1p18 h ALA 133 N -0.38 1.24 -1.47 8.56 0.00 0.19 -3.42 119.26 123.98 1p18 h ALA 133 Ca -0.44 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.69 1p18 h ALA 133 Cb 1.20 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 1p18 h ALA 133 CO 0.59 -0.11 0.79 -1.54 0.00 0.00 0.00 179.25 178.97 1p18 s SER 134 N -5.20 -0.16 -0.15 0.00 1.04 -1.15 -4.89 113.70 103.19 1p18 s SER 134 Ca -0.05 0.05 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1p18 s SER 134 Cb 0.13 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.48 1p18 s SER 134 CO 0.42 -0.24 0.31 -0.22 0.98 0.00 0.00 173.24 174.49 1p18 s LEU 135 N -1.93 -0.41 0.38 2.42 2.96 -1.25 -1.14 118.68 119.71 1p18 s LEU 135 Ca 0.08 0.70 0.04 0.00 -0.22 0.00 0.00 54.13 54.73 1p18 s LEU 135 Cb -0.01 0.91 -0.03 0.00 0.50 0.00 0.00 46.19 47.56 1p18 s LEU 135 CO -0.05 -0.24 0.16 -0.54 -1.32 0.00 0.00 176.35 174.36 1p18 s LYS 136 N 2.48 1.86 0.07 1.98 1.02 -0.57 -5.02 119.74 121.56 1p18 s LYS 136 Ca 0.01 -2.12 0.04 0.00 0.02 0.00 0.00 55.97 53.91 1p18 s LYS 136 Cb -0.12 -0.40 -0.03 0.00 -0.52 0.00 0.00 37.83 36.76 1p18 s LYS 136 CO -0.10 -0.50 -0.11 0.95 -0.92 0.00 0.00 175.35 174.67 1p18 s THR 137 N -3.30 0.85 -0.05 2.17 -4.23 -1.26 -1.37 115.64 108.45 1p18 s THR 137 Ca 0.28 -1.32 0.01 0.00 -1.18 0.00 0.00 61.69 59.47 1p18 s THR 137 Cb 0.03 -0.99 0.02 0.00 1.34 0.00 0.00 72.50 72.90 1p18 s THR 137 CO 0.17 -0.38 -0.05 0.54 -0.54 0.00 0.00 174.62 174.36 1p18 s VAL 138 N -1.66 0.61 -0.01 2.29 0.11 -0.08 -2.15 120.40 119.51 1p18 s VAL 138 Ca -0.03 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 1p18 s VAL 138 Cb -0.08 -0.64 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 1p18 s VAL 138 CO 0.01 0.25 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.27 1p18 s VAL 139 N 1.07 0.60 -0.01 2.04 1.01 -0.36 -1.99 120.40 122.76 1p18 s VAL 139 Ca -0.08 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 1p18 s VAL 139 Cb -0.14 -0.51 -0.18 0.00 0.00 0.00 0.00 36.38 35.55 1p18 s VAL 139 CO -0.01 0.17 1.19 0.25 0.00 0.00 0.00 175.10 176.71 1p18 h LEU 140 N 5.99 -0.15 -8.63 3.92 5.85 -1.34 -2.15 115.31 118.80 1p18 h LEU 140 Ca -0.30 -0.34 -0.70 0.00 0.84 0.00 0.00 57.88 57.39 1p18 h LEU 140 Cb 1.18 0.04 -0.29 0.00 0.37 0.00 0.00 40.66 41.96 1p18 h LEU 140 CO 0.50 0.29 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.25 1p18 s LEU 141 N -9.30 2.14 -0.14 2.25 1.43 -0.51 -0.97 118.68 113.57 1p18 s LEU 141 Ca -0.15 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1p18 s LEU 141 Cb 0.02 -1.37 0.02 0.00 0.03 0.00 0.00 46.19 44.89 1p18 s LEU 141 CO 0.59 0.31 -0.15 -0.62 0.23 0.00 0.00 176.35 176.71 1p18 s ASP 142 N -0.56 2.68 -1.11 2.29 -1.08 -0.17 -1.24 116.67 117.48 1p18 s ASP 142 Ca 0.08 -0.49 -0.08 0.00 -0.52 0.00 0.00 52.55 51.55 1p18 s ASP 142 Cb -0.11 -1.19 0.29 0.00 -1.46 0.00 0.00 42.92 40.45 1p18 s ASP 142 CO -0.00 -0.04 1.21 0.29 0.52 0.00 0.00 175.17 177.14 1p18 n LYS 143 N 4.68 3.77 -0.28 4.34 5.02 0.04 -0.24 118.16 135.49 1p18 n LYS 143 Ca -0.17 -4.48 0.32 0.00 -2.02 0.00 0.00 58.31 51.96 1p18 n LYS 143 Cb 0.50 -2.54 0.72 0.00 -0.02 0.00 0.00 35.03 33.68 1p18 n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1p18 h ARG 144 N 6.36 0.05 -0.00 1.97 3.08 -1.83 -0.22 114.38 123.78 1p18 h ARG 144 Ca 0.19 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1p18 h ARG 144 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1p18 h ARG 144 CO 1.10 0.03 -0.17 0.39 -1.07 0.00 0.00 179.97 180.25 1p18 n GLU 145 N -4.26 0.01 0.00 0.04 1.02 -1.26 -4.06 120.64 112.13 1p18 n GLU 145 Ca 0.24 -0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.51 1p18 n GLU 145 Cb 1.12 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 31.62 1p18 n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1p18 n GLY 146 N 1.49 -0.33 3.64 0.62 0.00 -0.10 -4.98 105.19 105.54 1p18 n GLY 146 Ca 0.07 -0.38 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 1p18 n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p18 n ARG 147 N -0.23 1.79 -0.00 1.61 5.12 -0.97 -3.45 116.66 120.53 1p18 n ARG 147 Ca 0.18 0.64 0.05 0.00 -1.93 0.00 0.00 57.85 56.79 1p18 n ARG 147 Cb 0.31 -2.26 -0.06 0.00 -1.16 0.00 0.00 32.46 29.29 1p18 n ARG 147 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1p18 n ARG 148 N 2.05 3.19 -3.76 5.56 3.00 -0.16 -4.93 116.66 121.61 1p18 n ARG 148 Ca 0.13 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.85 57.84 1p18 n ARG 148 Cb 0.29 -1.03 -0.09 0.00 0.00 0.00 0.00 32.46 31.63 1p18 n ARG 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1p18 s VAL 149 N -2.08 0.04 0.27 5.15 0.11 -1.18 -5.02 120.40 117.69 1p18 s VAL 149 Ca 0.03 -0.34 -0.29 0.00 -2.93 0.00 0.00 61.98 58.45 1p18 s VAL 149 Cb 0.08 -0.58 -0.10 0.00 -1.53 0.00 0.00 36.38 34.25 1p18 s VAL 149 CO 0.44 -0.19 1.31 -2.84 -3.33 0.00 0.00 175.10 170.49 1p18 s PRO 150 N -0.92 4.38 -0.28 1.54 0.02 -1.26 -4.78 135.00 133.70 1p18 s PRO 150 Ca -0.10 2.14 -0.17 0.00 0.02 0.00 0.00 61.00 62.89 1p18 s PRO 150 Cb -0.04 -3.13 0.11 0.00 0.02 0.00 0.00 34.50 31.46 1p18 s PRO 150 CO 0.03 -0.20 0.84 0.12 -0.33 0.00 0.00 177.00 177.46 1p18 s PHE 151 N -0.60 -0.80 -0.11 6.54 5.36 -1.26 -5.02 117.98 122.08 1p18 s PHE 151 Ca 0.52 1.64 0.03 0.00 -0.96 0.00 0.00 56.93 58.16 1p18 s PHE 151 Cb -0.38 0.47 0.01 0.00 -0.34 0.00 0.00 43.02 42.78 1p18 s PHE 151 CO 0.46 -0.40 -0.20 -1.12 -1.46 0.00 0.00 175.22 172.50 1p18 s SER 152 N 1.34 2.81 0.22 6.13 0.01 -1.26 -5.07 113.70 117.87 1p18 s SER 152 Ca -0.08 -0.52 -0.20 0.00 1.31 0.00 0.00 55.95 56.46 1p18 s SER 152 Cb -0.04 -1.28 -0.08 0.00 0.21 0.00 0.00 66.02 64.82 1p18 s SER 152 CO -0.16 0.08 0.73 0.00 0.41 0.00 0.00 173.24 174.31 1p18 s ALA 153 N 0.70 3.42 0.19 1.44 0.00 -1.26 -4.96 121.76 121.29 1p18 s ALA 153 Ca -0.11 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1p18 s ALA 153 Cb -0.16 -2.84 0.09 0.00 0.00 0.00 0.00 23.12 20.21 1p18 s ALA 153 CO 0.02 0.32 1.45 -0.44 0.00 0.00 0.00 175.76 177.11 1p18 h ASP 154 N 3.53 0.33 -3.75 0.00 3.32 -1.92 -3.44 116.42 114.49 1p18 h ASP 154 Ca -0.48 -0.23 -0.38 0.00 0.02 0.00 0.00 57.03 55.96 1p18 h ASP 154 Cb 1.19 -0.10 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 1p18 h ASP 154 CO 0.65 0.97 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.06 1p18 s TYR 155 N -3.50 0.70 -0.01 4.55 1.51 -0.91 -5.02 117.35 114.66 1p18 s TYR 155 Ca -0.04 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 55.87 1p18 s TYR 155 Cb 0.11 -0.53 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 1p18 s TYR 155 CO 0.82 -0.09 -0.03 0.08 -1.11 0.00 0.00 175.55 175.22 1p18 s VAL 156 N 0.30 0.32 0.03 0.71 1.01 -1.26 -1.23 120.40 120.28 1p18 s VAL 156 Ca -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1p18 s VAL 156 Cb -0.08 -0.31 -0.29 0.00 0.00 0.00 0.00 36.38 35.70 1p18 s VAL 156 CO 0.00 0.12 0.97 0.58 0.00 0.00 0.00 175.10 176.77 1p18 h VAL 157 N 5.43 1.28 -1.92 2.92 2.07 -0.70 -3.48 116.25 121.85 1p18 h VAL 157 Ca -0.32 -2.88 -0.02 0.00 0.82 0.00 0.00 66.70 64.30 1p18 h VAL 157 Cb 1.18 2.85 -0.22 0.00 -1.52 0.00 0.00 31.29 33.58 1p18 h VAL 157 CO 0.50 0.84 0.20 0.00 0.02 0.00 0.00 177.57 179.13 1p18 s ALA 158 N -2.63 -1.82 0.17 1.67 0.00 -0.15 -4.99 121.76 114.02 1p18 s ALA 158 Ca -0.07 1.92 -0.12 0.00 0.00 0.00 0.00 51.96 53.69 1p18 s ALA 158 Cb 0.07 -1.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.02 1p18 s ALA 158 CO 0.87 -0.32 0.54 -0.80 0.00 0.00 0.00 175.76 176.04 1p18 s ASN 159 N 0.16 6.73 0.03 0.00 0.01 -1.26 -1.00 114.94 119.61 1p18 s ASN 159 Ca -0.01 0.99 -0.01 0.00 -0.71 0.00 0.00 52.86 53.13 1p18 s ASN 159 Cb -0.04 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 1p18 s ASN 159 CO 0.01 0.04 -0.03 0.27 -1.51 0.00 0.00 177.10 175.88 1p18 s ILE 160 N -1.60 0.16 0.56 0.60 -4.36 0.67 -4.85 121.20 112.38 1p18 s ILE 160 Ca 0.41 -1.33 -0.09 0.00 -0.26 0.00 0.00 60.65 59.38 1p18 s ILE 160 Cb -0.13 -0.85 0.14 0.00 1.25 0.00 0.00 42.46 42.87 1p18 s ILE 160 CO 0.20 -0.73 0.46 -2.65 0.24 0.00 0.00 174.94 172.46 1p18 n PRO 161 N 0.90 -2.16 -1.11 0.37 -0.02 -1.26 -4.32 135.00 127.40 1p18 n PRO 161 Ca -0.19 -0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 60.36 1p18 n PRO 161 Cb 0.58 -0.73 -0.05 0.00 -0.02 0.00 0.00 33.50 33.27 1p18 n PRO 161 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1p18 n ASN 162 N -3.89 6.07 -4.92 2.55 4.13 -1.26 -4.87 115.26 113.08 1p18 n ASN 162 Ca 0.07 -2.92 -0.26 0.00 1.68 0.00 0.00 54.58 53.14 1p18 n ASN 162 Cb 0.26 -1.22 0.01 0.00 -1.54 0.00 0.00 39.78 37.29 1p18 n ASN 162 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1p18 s ALA 163 N -0.95 3.44 -0.41 5.41 0.00 -1.26 -5.03 121.76 122.95 1p18 s ALA 163 Ca 0.47 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 1p18 s ALA 163 Cb 0.29 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.93 1p18 s ALA 163 CO -0.09 -0.49 0.45 0.12 0.00 0.00 0.00 175.76 175.75 1p18 s PHE 164 N -2.77 3.17 0.17 0.00 5.36 -1.26 -5.04 117.98 117.61 1p18 s PHE 164 Ca 0.49 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 1p18 s PHE 164 Cb -0.10 -2.91 -0.04 0.00 -0.34 0.00 0.00 43.02 39.63 1p18 s PHE 164 CO 0.43 -0.68 0.35 0.14 -1.46 0.00 0.00 175.22 174.00 1p18 s VAL 165 N 2.18 5.25 0.13 3.12 -7.23 -1.26 -0.01 120.40 122.59 1p18 s VAL 165 Ca 0.13 -0.43 -0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1p18 s VAL 165 Cb -0.17 -3.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.03 1p18 s VAL 165 CO 0.14 -0.12 0.15 0.27 -0.31 0.00 0.00 175.10 175.23 1p18 s ILE 166 N -1.80 0.10 0.00 -0.62 -4.36 0.32 -4.67 121.20 110.17 1p18 s ILE 166 Ca 0.37 -1.64 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1p18 s ILE 166 Cb -0.11 -1.87 0.00 0.00 1.25 0.00 0.00 42.46 41.73 1p18 s ILE 166 CO 0.29 -0.46 0.00 0.61 0.24 0.00 0.00 174.94 175.62 1p18 n GLY 167 N -0.12 1.47 4.02 6.27 0.00 0.44 -1.10 105.19 116.18 1p18 n GLY 167 Ca -0.08 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 1p18 n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1p18 n TYR 168 N 1.60 -2.02 0.00 1.61 9.36 0.05 -1.48 117.16 126.28 1p18 n TYR 168 Ca 0.00 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.07 1p18 n TYR 168 Cb 0.00 -3.60 0.00 0.00 -0.63 0.00 0.00 39.34 35.11 1p18 n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1p18 n GLY 169 N -1.60 3.17 3.74 2.98 0.00 0.23 -4.50 105.19 109.20 1p18 n GLY 169 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1p18 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1p18 s LEU 170 N 0.00 4.46 0.44 0.99 1.02 -0.55 -4.30 118.68 120.75 1p18 s LEU 170 Ca 0.00 1.58 0.05 0.00 0.02 0.00 0.00 54.13 55.78 1p18 s LEU 170 Cb 0.00 -3.37 -0.06 0.00 0.02 0.00 0.00 46.19 42.78 1p18 s LEU 170 CO 0.00 -0.03 0.01 1.51 0.02 0.00 0.00 176.35 177.86 1p18 s ASP 171 N 0.01 3.95 -0.07 2.29 -4.77 -1.26 -0.42 116.67 116.41 1p18 s ASP 171 Ca 0.42 -1.46 -0.02 0.00 -3.30 0.00 0.00 52.55 48.19 1p18 s ASP 171 Cb -0.22 -0.10 0.03 0.00 -1.09 0.00 0.00 42.92 41.55 1p18 s ASP 171 CO 0.26 -0.58 0.05 -0.47 0.70 0.00 0.00 175.17 175.13 1p18 s TYR 172 N -2.77 0.22 -1.40 2.11 5.04 -0.91 -4.83 117.35 114.81 1p18 s TYR 172 Ca 0.26 0.08 -0.00 0.00 -2.44 0.00 0.00 57.07 54.96 1p18 s TYR 172 Cb 0.07 -0.58 -0.00 0.00 0.35 0.00 0.00 41.96 41.80 1p18 s TYR 172 CO 0.13 -0.27 0.42 -3.47 -1.34 0.00 0.00 175.55 171.03 1p18 n ASP 173 N 5.26 -0.37 -1.71 4.32 2.03 -1.26 -1.19 116.55 123.63 1p18 n ASP 173 Ca -0.04 -1.01 -0.15 0.00 0.52 0.00 0.00 54.79 54.11 1p18 n ASP 173 Cb 0.50 -3.07 -0.05 0.00 -0.72 0.00 0.00 41.12 37.78 1p18 n ASP 173 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1p18 n ASP 174 N -2.98 -4.03 -4.59 1.67 -0.08 -1.26 -4.95 116.55 100.33 1p18 n ASP 174 Ca -0.31 0.30 -0.25 0.00 -1.51 0.00 0.00 54.79 53.02 1p18 n ASP 174 Cb 0.69 -3.61 -0.09 0.00 2.34 0.00 0.00 41.12 40.45 1p18 n ASP 174 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1p18 s THR 175 N -2.38 3.21 0.00 5.18 2.01 -0.34 -4.76 115.64 118.57 1p18 s THR 175 Ca 0.00 -1.83 0.00 0.00 0.31 0.00 0.00 61.69 60.17 1p18 s THR 175 Cb 0.00 -2.65 0.00 0.00 0.01 0.00 0.00 72.50 69.86 1p18 s THR 175 CO 0.00 -0.24 0.00 -1.22 -0.69 0.00 0.00 174.62 172.47 1p18 n TYR 176 N -0.38 0.00 0.10 4.92 4.02 -1.26 -2.15 117.16 122.41 1p18 n TYR 176 Ca -0.09 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.87 1p18 n TYR 176 Cb 0.57 -0.59 0.52 0.00 -0.02 0.00 0.00 39.34 39.82 1p18 n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1p18 h ARG 177 N 1.47 0.30 0.00 -0.72 3.08 -1.84 -2.58 114.38 114.09 1p18 h ARG 177 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1p18 h ARG 177 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1p18 h ARG 177 CO 0.00 0.20 0.00 -0.85 -1.07 0.00 0.00 179.97 178.25 1p18 n GLU 178 N -4.50 0.38 -1.86 0.04 0.00 -1.26 -0.60 120.64 112.84 1p18 n GLU 178 Ca 0.01 0.04 -0.41 0.00 0.00 0.00 0.00 57.16 56.81 1p18 n GLU 178 Cb 0.10 -1.50 -0.00 0.00 0.00 0.00 0.00 31.44 30.04 1p18 n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1p18 s LEU 179 N -2.55 4.31 0.48 -1.84 1.43 -0.99 -4.81 118.68 114.71 1p18 s LEU 179 Ca 0.25 2.97 0.28 0.00 -1.03 0.00 0.00 54.13 56.59 1p18 s LEU 179 Cb 0.17 -3.70 0.88 0.00 0.03 0.00 0.00 46.19 43.57 1p18 s LEU 179 CO 0.39 -0.85 1.80 0.03 0.23 0.00 0.00 176.35 177.95 1p18 h ARG 180 N 2.99 0.00 -6.08 1.70 3.08 -1.92 0.17 114.38 114.32 1p18 h ARG 180 Ca -0.51 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 58.98 1p18 h ARG 180 Cb 1.24 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.19 1p18 h ARG 180 CO 0.64 0.06 -0.61 -0.51 -1.07 0.00 0.00 179.97 178.48 1p18 s ASP 181 N -5.98 4.35 -0.25 7.04 1.01 -1.26 -3.76 116.67 117.81 1p18 s ASP 181 Ca 0.03 -0.87 -0.10 0.00 0.71 0.00 0.00 52.55 52.32 1p18 s ASP 181 Cb 0.08 -0.63 -0.05 0.00 1.01 0.00 0.00 42.92 43.33 1p18 s ASP 181 CO 0.61 -0.20 0.15 -0.63 0.21 0.00 0.00 175.17 175.32 1p18 s ILE 182 N -2.46 5.13 0.29 0.77 1.01 -0.29 -3.39 121.20 122.27 1p18 s ILE 182 Ca 0.35 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1p18 s ILE 182 Cb -0.02 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 1p18 s ILE 182 CO 0.20 0.31 0.06 0.68 0.00 0.00 0.00 174.94 176.20 1p18 s VAL 183 N 1.40 0.94 -0.20 2.92 -7.23 -0.25 -1.67 120.40 116.31 1p18 s VAL 183 Ca 0.07 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 1p18 s VAL 183 Cb -0.15 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.06 1p18 s VAL 183 CO 0.07 -0.04 0.13 -0.69 -0.31 0.00 0.00 175.10 174.26 1p18 s VAL 184 N -3.48 5.36 0.10 1.32 1.01 -0.26 -0.52 120.40 123.93 1p18 s VAL 184 Ca 0.36 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1p18 s VAL 184 Cb 0.08 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 1p18 s VAL 184 CO 0.14 0.43 1.42 -0.22 0.00 0.00 0.00 175.10 176.87 1p18 s LEU 185 N 0.43 4.36 0.28 3.92 2.96 0.99 -0.23 118.68 131.39 1p18 s LEU 185 Ca 0.08 2.32 -0.30 0.00 -0.22 0.00 0.00 54.13 56.01 1p18 s LEU 185 Cb -0.11 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.89 1p18 s LEU 185 CO -0.01 -0.69 1.43 -0.13 -1.32 0.00 0.00 176.35 175.63 1p18 s ARG 186 N 1.41 4.26 0.43 1.98 0.52 -0.21 -4.49 118.95 122.85 1p18 s ARG 186 Ca 0.65 2.34 0.16 0.00 -0.52 0.00 0.00 55.73 58.36 1p18 s ARG 186 Cb -0.36 -3.08 0.96 0.00 0.52 0.00 0.00 34.95 32.99 1p18 s ARG 186 CO 0.30 -0.41 1.93 -1.35 0.02 0.00 0.00 175.30 175.79 1p18 h PRO 187 N 4.51 0.00 -0.53 3.54 0.11 -1.93 -0.50 132.00 137.20 1p18 h PRO 187 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1p18 h PRO 187 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1p18 h PRO 187 CO 0.74 0.25 0.23 0.93 -0.21 0.00 0.00 178.00 179.94 1p18 h GLU 188 N 0.00 0.75 0.25 1.05 5.08 -1.96 -2.81 114.58 116.94 1p18 h GLU 188 Ca -0.00 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1p18 h GLU 188 Cb 0.48 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1p18 h GLU 188 CO 0.03 0.60 -0.12 0.28 -1.00 0.00 0.00 179.01 178.81 1p18 h VAL 189 N 0.75 0.21 0.00 3.13 2.07 -1.43 -3.30 116.25 117.68 1p18 h VAL 189 Ca 0.18 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1p18 h VAL 189 Cb 0.12 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1p18 h VAL 189 CO -0.02 0.06 0.00 -1.22 0.02 0.00 0.00 177.57 176.41 1p18 n TYR 190 N -5.00 0.00 1.34 1.57 4.02 -0.85 -5.07 117.16 113.16 1p18 n TYR 190 Ca -0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.97 1p18 n TYR 190 Cb 0.18 0.00 0.39 0.00 -0.02 0.00 0.00 39.34 39.89 1p18 n TYR 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85