#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i13 h GLU 6 N 0.00 0.00 -0.04 -0.72 9.09 -2.04 -2.65 114.58 118.23 1i13 h GLU 6 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i13 h GLU 6 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i13 h GLU 6 CO 0.00 0.00 0.00 1.97 0.05 0.00 0.00 179.01 181.03 1i13 n PHE 7 N -2.92 0.04 -3.92 2.06 1.16 -1.26 -4.87 117.46 107.75 1i13 n PHE 7 Ca 0.02 -0.02 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 1i13 n PHE 7 Cb 0.33 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.12 1i13 n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i13 s ALA 8 N -1.96 3.62 0.08 1.98 0.00 -1.00 -1.43 121.76 123.05 1i13 s ALA 8 Ca 0.38 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1i13 s ALA 8 Cb 0.20 -1.97 -0.23 0.00 0.00 0.00 0.00 23.12 21.12 1i13 s ALA 8 CO 0.32 0.34 1.19 1.49 0.00 0.00 0.00 175.76 179.10 1i13 h GLU 9 N 6.04 0.66 -2.17 0.00 4.81 -0.94 -3.45 114.58 119.53 1i13 h GLU 9 Ca -0.45 -0.74 0.11 0.00 -0.13 0.00 0.00 59.36 58.15 1i13 h GLU 9 Cb 1.18 0.22 -0.16 0.00 0.63 0.00 0.00 28.75 30.61 1i13 h GLU 9 CO 0.67 1.32 0.51 -1.59 -0.73 0.00 0.00 179.01 179.18 1i13 s LYS 10 N -3.26 0.78 -0.22 1.92 -2.85 -1.25 -4.99 119.74 109.86 1i13 s LYS 10 Ca -0.09 -0.24 -0.13 0.00 -1.00 0.00 0.00 55.97 54.51 1i13 s LYS 10 Cb 0.07 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1i13 s LYS 10 CO 0.92 -0.33 0.28 0.42 0.10 0.00 0.00 175.35 176.74 1i13 s ILE 11 N -2.84 5.28 -0.12 3.79 1.01 -1.26 -0.41 121.20 126.64 1i13 s ILE 11 Ca 0.04 0.44 -0.23 0.00 0.00 0.00 0.00 60.65 60.90 1i13 s ILE 11 Cb -0.01 -3.61 -0.26 0.00 0.01 0.00 0.00 42.46 38.58 1i13 s ILE 11 CO -0.07 0.29 0.64 -0.07 0.00 0.00 0.00 174.94 175.73 1i13 h LEU 12 N 7.63 0.20 -7.67 2.97 3.38 -0.45 -3.48 115.31 117.89 1i13 h LEU 12 Ca -0.37 -0.86 -0.25 0.00 0.09 0.00 0.00 57.88 56.49 1i13 h LEU 12 Cb 1.17 -0.06 -0.30 0.00 0.09 0.00 0.00 40.66 41.55 1i13 h LEU 12 CO 0.68 1.34 -0.72 -0.36 0.09 0.00 0.00 178.44 179.47 1i13 s PHE 13 N -2.36 0.01 0.67 1.13 0.40 -1.08 -5.00 117.98 111.75 1i13 s PHE 13 Ca -0.20 0.04 -0.07 0.00 -0.60 0.00 0.00 56.93 56.10 1i13 s PHE 13 Cb 0.01 -0.07 0.04 0.00 0.51 0.00 0.00 43.02 43.52 1i13 s PHE 13 CO 0.72 -0.02 0.98 0.95 0.70 0.00 0.00 175.22 178.55 1i13 s THR 14 N 0.30 2.76 0.23 0.64 -4.23 -1.26 -1.16 115.64 112.92 1i13 s THR 14 Ca -0.02 -0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.26 1i13 s THR 14 Cb -0.04 -3.16 0.21 0.00 1.34 0.00 0.00 72.50 70.85 1i13 s THR 14 CO -0.01 -0.18 1.89 -0.08 -0.54 0.00 0.00 174.62 175.70 1i13 h GLU 15 N -0.47 1.09 -0.40 3.99 4.81 -1.95 -0.98 114.58 120.67 1i13 h GLU 15 Ca -0.45 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 1i13 h GLU 15 Cb 1.29 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1i13 h GLU 15 CO 0.61 0.72 0.20 1.49 -0.73 0.00 0.00 179.01 181.30 1i13 h GLU 16 N 1.13 0.57 0.02 1.92 4.81 -1.93 -1.43 114.58 119.67 1i13 h GLU 16 Ca 0.34 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1i13 h GLU 16 Cb -0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1i13 h GLU 16 CO -0.10 0.49 -0.01 0.93 -0.73 0.00 0.00 179.01 179.59 1i13 h GLU 17 N 0.51 -0.03 -0.25 1.92 5.08 -1.79 -1.12 114.58 118.91 1i13 h GLU 17 Ca 0.14 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1i13 h GLU 17 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1i13 h GLU 17 CO -0.02 -0.00 -0.07 0.82 -1.00 0.00 0.00 179.01 178.74 1i13 h ILE 18 N -0.04 0.74 -0.46 3.13 2.04 -1.10 -0.74 117.51 121.08 1i13 h ILE 18 Ca -0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1i13 h ILE 18 Cb 0.04 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1i13 h ILE 18 CO 0.00 0.00 0.10 -0.09 0.00 0.00 0.00 178.15 178.16 1i13 h ARG 19 N -0.01 0.23 -0.20 2.37 2.43 -1.06 0.16 114.38 118.30 1i13 h ARG 19 Ca 0.12 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1i13 h ARG 19 Cb 0.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1i13 h ARG 19 CO -0.26 0.15 0.12 1.15 -1.51 0.00 0.00 179.97 179.62 1i13 h THR 20 N 0.24 1.03 -0.51 0.20 2.02 -0.57 -1.75 112.91 113.56 1i13 h THR 20 Ca 0.23 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1i13 h THR 20 Cb 0.29 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1i13 h THR 20 CO -0.29 0.04 -0.04 0.03 0.37 0.00 0.00 175.52 175.64 1i13 h ARG 21 N 0.24 0.88 -0.54 6.66 3.08 -0.56 -2.42 114.38 121.73 1i13 h ARG 21 Ca 0.07 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.81 1i13 h ARG 21 Cb -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1i13 h ARG 21 CO -0.03 0.90 0.15 0.82 -1.07 0.00 0.00 179.97 180.75 1i13 h ILE 22 N 0.81 1.24 -0.69 2.04 2.04 -0.54 -0.74 117.51 121.67 1i13 h ILE 22 Ca 0.15 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.19 1i13 h ILE 22 Cb 0.54 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 1i13 h ILE 22 CO 0.03 0.31 0.46 0.11 0.00 0.00 0.00 178.15 179.05 1i13 h LYS 23 N 0.76 0.90 -0.72 2.37 1.57 -1.05 0.16 116.57 120.55 1i13 h LYS 23 Ca 0.17 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1i13 h LYS 23 Cb 0.30 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1i13 h LYS 23 CO -0.00 0.59 0.30 0.93 -0.57 0.00 0.00 179.45 180.70 1i13 h GLU 24 N 0.93 1.08 -0.37 3.15 5.08 -1.08 -1.29 114.58 122.07 1i13 h GLU 24 Ca 0.26 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1i13 h GLU 24 Cb -0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1i13 h GLU 24 CO -0.06 0.88 -0.18 0.28 -1.00 0.00 0.00 179.01 178.92 1i13 h VAL 25 N 1.03 1.26 -0.64 3.13 2.07 -0.69 -2.55 116.25 119.86 1i13 h VAL 25 Ca 0.24 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 1i13 h VAL 25 Cb 0.20 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1i13 h VAL 25 CO -0.02 0.41 0.12 0.00 0.02 0.00 0.00 177.57 178.10 1i13 h ALA 26 N 1.18 0.85 -0.55 1.67 0.00 -0.60 0.27 119.26 122.07 1i13 h ALA 26 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1i13 h ALA 26 Cb 0.66 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1i13 h ALA 26 CO 0.05 0.59 0.22 -0.22 0.00 0.00 0.00 179.25 179.88 1i13 h LYS 27 N 0.96 0.79 -0.04 0.00 1.63 -1.06 0.10 116.57 118.95 1i13 h LYS 27 Ca 0.20 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.85 1i13 h LYS 27 Cb 0.41 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1i13 h LYS 27 CO 0.01 0.65 -0.08 0.00 -3.45 0.00 0.00 179.45 176.59 1i13 h ARG 28 N 0.78 0.13 -0.78 1.90 2.47 -1.03 -1.65 114.38 116.20 1i13 h ARG 28 Ca 0.19 -0.08 0.08 0.00 -1.26 0.00 0.00 59.98 58.90 1i13 h ARG 28 Cb 0.16 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 28.43 1i13 h ARG 28 CO -0.02 0.65 0.45 0.82 0.56 0.00 0.00 179.97 182.44 1i13 h ILE 29 N -0.38 0.96 -0.43 2.04 2.04 -0.66 0.17 117.51 121.25 1i13 h ILE 29 Ca 0.00 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.62 1i13 h ILE 29 Cb 0.65 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1i13 h ILE 29 CO 0.02 0.15 0.23 0.00 0.00 0.00 0.00 178.15 178.55 1i13 h ALA 30 N 1.41 0.54 -0.48 1.87 0.00 -0.72 -0.62 119.26 121.25 1i13 h ALA 30 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.19 1i13 h ALA 30 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i13 h ALA 30 CO -0.21 -0.10 -0.04 -0.44 0.00 0.00 0.00 179.25 178.45 1i13 h ASP 31 N 0.47 0.87 0.40 0.00 3.45 -0.37 -2.04 116.42 119.20 1i13 h ASP 31 Ca 0.18 -0.33 -0.06 0.00 0.43 0.00 0.00 57.03 57.25 1i13 h ASP 31 Cb 0.05 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 1i13 h ASP 31 CO -0.10 0.99 -0.28 0.44 -1.57 0.00 0.00 179.24 178.72 1i13 h ASP 32 N 0.73 0.00 0.01 6.45 3.32 -0.34 -2.93 116.42 123.66 1i13 h ASP 32 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1i13 h ASP 32 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1i13 h ASP 32 CO 0.03 0.28 -0.30 -1.22 -1.72 0.00 0.00 179.24 176.31 1i13 n TYR 33 N -3.95 0.00 -0.29 4.55 4.02 -0.27 -4.50 117.16 116.73 1i13 n TYR 33 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.94 1i13 n TYR 33 Cb 0.35 -0.01 0.22 0.00 -0.02 0.00 0.00 39.34 39.88 1i13 n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i13 h LYS 34 N 2.91 0.56 0.00 -0.72 1.57 -1.17 0.10 116.57 119.82 1i13 h LYS 34 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1i13 h LYS 34 Cb 0.78 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1i13 h LYS 34 CO 0.00 0.37 0.00 0.78 -0.57 0.00 0.00 179.45 180.03 1i13 h GLY 35 N 0.58 0.00 2.00 3.86 0.00 -1.80 -2.37 103.07 105.34 1i13 h GLY 35 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1i13 h GLY 35 CO -0.38 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.44 1i13 n LYS 36 N -2.50 0.10 -3.58 4.80 4.76 0.36 -4.93 118.16 117.17 1i13 n LYS 36 Ca 0.01 0.15 -0.20 0.00 -2.87 0.00 0.00 58.31 55.41 1i13 n LYS 36 Cb 0.21 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 31.82 1i13 n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i13 n GLY 37 N 1.03 -0.36 3.75 0.72 0.00 -0.89 -4.90 105.19 104.55 1i13 n GLY 37 Ca 0.05 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1i13 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i13 s LEU 38 N -6.50 4.36 -0.01 0.99 1.43 -1.26 -4.91 118.68 112.78 1i13 s LEU 38 Ca 0.02 2.87 -0.02 0.00 -1.03 0.00 0.00 54.13 55.97 1i13 s LEU 38 Cb -0.00 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 1i13 s LEU 38 CO 0.78 -0.82 0.03 -0.13 0.23 0.00 0.00 176.35 176.44 1i13 s ARG 39 N -0.81 0.14 0.67 1.70 1.81 0.59 -4.81 118.95 118.24 1i13 s ARG 39 Ca 0.59 -0.14 -0.17 0.00 -1.72 0.00 0.00 55.73 54.30 1i13 s ARG 39 Cb -0.45 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1i13 s ARG 39 CO 0.49 -0.02 1.25 -1.25 -0.68 0.00 0.00 175.30 175.09 1i13 s PRO 40 N -0.44 2.44 0.00 3.54 0.04 -1.26 -0.28 135.00 139.04 1i13 s PRO 40 Ca -0.05 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1i13 s PRO 40 Cb -0.03 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1i13 s PRO 40 CO -0.00 -1.64 0.00 0.66 0.04 0.00 0.00 177.00 176.06 1i13 n TYR 41 N -2.17 0.00 -0.02 0.56 4.02 -1.26 -4.14 117.16 114.16 1i13 n TYR 41 Ca 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 58.00 1i13 n TYR 41 Cb 0.49 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.69 1i13 n TYR 41 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i13 n VAL 42 N 0.00 1.24 -2.89 -0.72 0.24 -1.24 -4.72 118.33 110.24 1i13 n VAL 42 Ca 0.00 -0.74 -0.12 0.00 -2.04 0.00 0.00 64.34 61.44 1i13 n VAL 42 Cb 0.00 -0.69 0.03 0.00 -1.47 0.00 0.00 33.84 31.71 1i13 n VAL 42 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1i13 n ASN 43 N -2.84 -0.15 -4.87 -1.34 5.15 0.62 -4.95 115.26 106.87 1i13 n ASN 43 Ca -0.16 -3.03 -0.31 0.00 -0.60 0.00 0.00 54.58 50.48 1i13 n ASN 43 Cb 0.95 0.23 0.01 0.00 -0.53 0.00 0.00 39.78 40.43 1i13 n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1i13 s PRO 44 N -1.59 3.58 -0.20 1.20 0.04 -0.67 -0.30 135.00 137.06 1i13 s PRO 44 Ca 0.30 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 1i13 s PRO 44 Cb 0.37 -2.09 -0.00 0.00 0.04 0.00 0.00 34.50 32.81 1i13 s PRO 44 CO -0.05 -0.56 0.95 -1.17 0.04 0.00 0.00 177.00 176.21 1i13 s LEU 45 N -5.16 4.14 -0.37 -3.56 2.96 -0.20 -4.54 118.68 111.94 1i13 s LEU 45 Ca 0.55 1.30 -0.28 0.00 -0.22 0.00 0.00 54.13 55.48 1i13 s LEU 45 Cb -0.11 -3.41 0.02 0.00 0.50 0.00 0.00 46.19 43.19 1i13 s LEU 45 CO 0.53 -0.55 1.04 -0.69 -1.32 0.00 0.00 176.35 175.37 1i13 s VAL 46 N 2.71 4.47 -0.36 1.68 1.01 0.14 -1.58 120.40 128.46 1i13 s VAL 46 Ca 0.42 1.44 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 1i13 s VAL 46 Cb -0.16 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.79 1i13 s VAL 46 CO 0.10 -0.62 0.48 -0.76 0.00 0.00 0.00 175.10 174.30 1i13 s LEU 47 N 3.77 4.44 -0.57 3.92 1.43 0.04 -0.66 118.68 131.05 1i13 s LEU 47 Ca 0.43 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1i13 s LEU 47 Cb -0.11 -2.52 0.08 0.00 0.03 0.00 0.00 46.19 43.67 1i13 s LEU 47 CO 0.20 -0.48 0.71 -0.63 0.23 0.00 0.00 176.35 176.38 1i13 s ILE 48 N 2.31 4.78 -0.19 -0.59 1.09 -0.64 -0.65 121.20 127.31 1i13 s ILE 48 Ca 0.17 -0.70 -0.23 0.00 -1.10 0.00 0.00 60.65 58.78 1i13 s ILE 48 Cb -0.16 -4.44 -0.02 0.00 -1.06 0.00 0.00 42.46 36.78 1i13 s ILE 48 CO 0.13 -1.04 0.73 -0.55 -0.10 0.00 0.00 174.94 174.11 1i13 s SER 49 N 3.26 6.81 -0.57 3.58 0.15 0.39 -0.52 113.70 126.79 1i13 s SER 49 Ca 0.14 0.99 -0.23 0.00 0.70 0.00 0.00 55.95 57.55 1i13 s SER 49 Cb -0.21 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1i13 s SER 49 CO 0.09 -0.35 0.89 -0.69 1.20 0.00 0.00 173.24 174.38 1i13 s VAL 50 N 2.11 4.46 0.51 4.45 1.01 -1.04 -1.44 120.40 130.46 1i13 s VAL 50 Ca 0.33 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1i13 s VAL 50 Cb -0.16 -4.54 -0.08 0.00 0.00 0.00 0.00 36.38 31.60 1i13 s VAL 50 CO 0.11 -1.16 0.99 -0.76 0.00 0.00 0.00 175.10 174.28 1i13 s LEU 51 N 3.74 3.68 -0.03 3.92 1.43 0.62 -1.68 118.68 130.35 1i13 s LEU 51 Ca 0.25 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 55.03 1i13 s LEU 51 Cb -0.15 -4.52 -0.24 0.00 0.03 0.00 0.00 46.19 41.31 1i13 s LEU 51 CO 0.15 -0.62 0.71 0.11 0.23 0.00 0.00 176.35 176.93 1i13 h LYS 52 N 1.08 0.11 -0.91 1.70 1.57 -1.86 -2.85 116.57 115.40 1i13 h LYS 52 Ca -0.47 -0.18 0.25 0.00 -1.87 0.00 0.00 60.65 58.37 1i13 h LYS 52 Cb 1.19 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 1i13 h LYS 52 CO 0.61 0.82 0.33 0.78 -0.57 0.00 0.00 179.45 181.42 1i13 h GLY 53 N 2.59 1.54 1.22 3.86 0.00 -1.74 -2.15 103.07 108.37 1i13 h GLY 53 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1i13 h GLY 53 CO 0.10 -0.38 0.00 -1.26 0.00 0.00 0.00 176.54 175.00 1i13 n SER 54 N -5.16 0.00 -0.22 0.19 2.88 -0.68 -4.04 113.62 106.59 1i13 n SER 54 Ca 0.24 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1i13 n SER 54 Cb 0.74 -0.11 0.12 0.00 -0.75 0.00 0.00 64.21 64.21 1i13 n SER 54 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1i13 h PHE 55 N 0.00 0.53 -0.02 0.66 -5.15 -1.62 0.15 116.94 111.49 1i13 h PHE 55 Ca 0.00 0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 1i13 h PHE 55 Cb 0.08 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 36.11 1i13 h PHE 55 CO 0.00 0.18 -0.04 1.98 -2.00 0.00 0.00 178.31 178.43 1i13 h MET 56 N 0.52 0.07 -0.60 6.09 4.05 -1.84 -1.75 114.93 121.48 1i13 h MET 56 Ca 0.32 -0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.76 1i13 h MET 56 Cb 0.36 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.11 1i13 h MET 56 CO -0.28 0.63 0.31 0.35 0.23 0.00 0.00 176.91 178.15 1i13 h PHE 57 N -0.49 0.56 -0.83 1.39 3.57 -1.76 -1.85 116.94 117.52 1i13 h PHE 57 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1i13 h PHE 57 Cb 0.63 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1i13 h PHE 57 CO 0.12 0.25 0.51 1.15 -2.23 0.00 0.00 178.31 178.11 1i13 h THR 58 N 0.57 1.23 -0.50 4.41 2.02 -0.67 0.23 112.91 120.20 1i13 h THR 58 Ca 0.27 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1i13 h THR 58 Cb 0.20 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1i13 h THR 58 CO -0.19 0.24 0.25 0.00 0.37 0.00 0.00 175.52 176.19 1i13 h ALA 59 N 1.27 0.64 0.07 6.16 0.00 -0.74 -0.49 119.26 126.18 1i13 h ALA 59 Ca 0.30 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 1i13 h ALA 59 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1i13 h ALA 59 CO -0.06 0.20 -1.09 -0.44 0.00 0.00 0.00 179.25 177.85 1i13 h ASP 60 N 0.66 0.43 -0.22 0.00 3.32 -1.11 -3.26 116.42 116.25 1i13 h ASP 60 Ca 0.17 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1i13 h ASP 60 Cb 0.10 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1i13 h ASP 60 CO -0.02 1.26 -0.25 0.25 -1.72 0.00 0.00 179.24 178.76 1i13 h LEU 61 N 0.13 0.60 -1.72 1.55 5.85 -0.45 -2.30 115.31 118.97 1i13 h LEU 61 Ca -0.10 -0.49 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1i13 h LEU 61 Cb 1.78 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 1i13 h LEU 61 CO 0.18 0.97 -0.11 0.00 -0.34 0.00 0.00 178.44 179.14 1i13 h ARG 63 N 0.04 0.73 -0.62 0.00 3.08 -1.57 -0.40 114.38 115.64 1i13 h ARG 63 Ca 0.01 -0.45 -0.05 0.00 0.07 0.00 0.00 59.98 59.55 1i13 h ARG 63 Cb 0.22 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1i13 h ARG 63 CO 0.01 1.07 0.18 0.00 -1.07 0.00 0.00 179.97 180.16 1i13 h ALA 64 N 0.65 1.14 -0.49 0.04 0.00 -0.81 -0.77 119.26 119.02 1i13 h ALA 64 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1i13 h ALA 64 Cb 1.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1i13 h ALA 64 CO 0.10 0.59 -0.09 -0.07 0.00 0.00 0.00 179.25 179.78 1i13 h LEU 65 N 0.92 0.87 -0.90 0.00 3.38 -0.81 -2.38 115.31 116.39 1i13 h LEU 65 Ca 0.20 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1i13 h LEU 65 Cb 0.29 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 1i13 h LEU 65 CO -0.01 0.98 0.35 0.00 0.09 0.00 0.00 178.44 179.86 1i13 h ASP 67 N 1.13 0.36 -0.54 0.00 3.32 -0.64 -0.30 116.42 119.76 1i13 h ASP 67 Ca 0.27 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1i13 h ASP 67 Cb 0.15 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1i13 h ASP 67 CO -0.03 0.20 0.00 0.49 -1.72 0.00 0.00 179.24 178.18 1i13 n PHE 68 N -4.47 1.61 -2.36 4.55 3.01 -0.52 -4.95 117.46 114.34 1i13 n PHE 68 Ca 0.13 -0.59 -0.20 0.00 1.01 0.00 0.00 57.45 57.80 1i13 n PHE 68 Cb 0.50 -0.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1i13 n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i13 n ASN 69 N 0.75 -5.63 -4.51 4.37 3.02 -0.12 -4.97 115.26 108.16 1i13 n ASN 69 Ca 0.24 -0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.35 1i13 n ASN 69 Cb 0.96 -4.67 -0.08 0.00 -0.61 0.00 0.00 39.78 35.38 1i13 n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i13 s VAL 70 N -2.98 5.01 0.13 2.41 1.01 -0.72 -5.01 120.40 120.24 1i13 s VAL 70 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 1i13 s VAL 70 Cb 0.00 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1i13 s VAL 70 CO 0.00 -0.41 1.13 -2.16 0.00 0.00 0.00 175.10 173.66 1i13 s PRO 71 N 2.37 4.53 0.24 2.72 0.04 -1.26 -4.28 135.00 139.36 1i13 s PRO 71 Ca 0.16 1.73 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1i13 s PRO 71 Cb -0.16 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1i13 s PRO 71 CO 0.15 -0.05 -0.09 0.14 0.04 0.00 0.00 177.00 177.18 1i13 s VAL 72 N 0.28 1.61 -0.08 -0.36 -7.23 -1.26 -1.03 120.40 112.33 1i13 s VAL 72 Ca 0.53 -2.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1i13 s VAL 72 Cb -0.29 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.42 1i13 s VAL 72 CO 0.33 -0.44 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.07 1i13 s ARG 73 N -3.71 0.80 0.02 4.82 3.52 -0.62 -4.82 118.95 118.97 1i13 s ARG 73 Ca 0.26 0.02 -0.21 0.00 -0.13 0.00 0.00 55.73 55.67 1i13 s ARG 73 Cb 0.02 -1.12 -0.06 0.00 -1.56 0.00 0.00 34.95 32.23 1i13 s ARG 73 CO 0.09 -0.30 0.63 -1.64 -0.81 0.00 0.00 175.30 173.26 1i13 s MET 74 N 1.92 4.34 -0.14 5.12 -1.94 -1.26 -0.78 119.30 126.56 1i13 s MET 74 Ca 0.05 0.80 0.01 0.00 -1.71 0.00 0.00 55.69 54.84 1i13 s MET 74 Cb -0.12 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.41 1i13 s MET 74 CO -0.06 0.40 -0.14 -1.21 -0.01 0.00 0.00 175.02 174.00 1i13 s GLU 75 N -0.33 2.22 -0.22 2.03 0.41 0.18 -4.93 118.70 118.05 1i13 s GLU 75 Ca 0.32 -0.53 -0.08 0.00 -0.41 0.00 0.00 54.97 54.27 1i13 s GLU 75 Cb -0.19 -2.01 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 1i13 s GLU 75 CO 0.19 -0.20 0.09 -0.06 -0.49 0.00 0.00 175.26 174.79 1i13 s PHE 76 N 1.38 3.19 0.41 1.61 0.40 -1.26 -0.46 117.98 123.25 1i13 s PHE 76 Ca 0.02 -0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.34 1i13 s PHE 76 Cb -0.13 -2.19 -0.08 0.00 0.51 0.00 0.00 43.02 41.13 1i13 s PHE 76 CO -0.08 -0.07 0.01 0.96 0.70 0.00 0.00 175.22 176.73 1i13 s ILE 77 N 1.05 1.95 -0.03 0.64 -4.36 -0.52 -4.67 121.20 115.25 1i13 s ILE 77 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1i13 s ILE 77 Cb -0.14 -2.96 0.03 0.00 1.25 0.00 0.00 42.46 40.64 1i13 s ILE 77 CO 0.03 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.22 1i13 s VAL 79 N 1.11 0.48 0.01 0.00 1.01 -1.07 -0.49 120.40 121.45 1i13 s VAL 79 Ca -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1i13 s VAL 79 Cb -0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1i13 s VAL 79 CO -0.02 0.09 -0.16 -0.55 0.00 0.00 0.00 175.10 174.46 1i13 s SER 80 N -0.27 1.90 0.00 3.32 0.15 0.52 -4.54 113.70 114.79 1i13 s SER 80 Ca 0.01 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1i13 s SER 80 Cb -0.03 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 1i13 s SER 80 CO -0.00 0.14 0.00 -0.24 1.20 0.00 0.00 173.24 174.34 1i13 n SER 81 N 2.34 0.00 0.08 5.45 2.88 -1.26 0.07 113.62 123.17 1i13 n SER 81 Ca -0.16 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.41 1i13 n SER 81 Cb 0.54 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 1i13 n SER 81 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1i13 h TYR 82 N 0.00 0.00 0.00 0.66 -1.99 -1.87 -2.06 116.97 111.70 1i13 h TYR 82 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i13 h TYR 82 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1i13 h TYR 82 CO 0.00 0.47 0.00 0.41 -0.00 0.00 0.00 178.16 179.04 1i13 n GLY 83 N 1.31 3.10 0.17 3.88 0.00 -1.26 -1.51 105.19 110.88 1i13 n GLY 83 Ca -0.05 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.91 1i13 n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i13 n GLU 84 N 14.00 1.13 -1.86 1.61 1.02 -1.26 -4.46 120.64 130.81 1i13 n GLU 84 Ca 0.00 -0.34 -0.10 0.00 -0.02 0.00 0.00 57.16 56.70 1i13 n GLU 84 Cb 0.00 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 29.97 1i13 n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i13 n GLY 85 N 1.11 1.66 0.02 0.62 0.00 -0.57 -3.86 105.19 104.18 1i13 n GLY 85 Ca 0.20 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 44.20 1i13 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i13 n LEU 86 N 0.00 0.45 -4.35 0.99 4.77 -1.26 -4.62 117.00 112.97 1i13 n LEU 86 Ca 0.08 -0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 1i13 n LEU 86 Cb 0.29 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1i13 n LEU 86 CO 0.19 0.07 -0.49 0.42 -1.33 0.00 0.00 177.39 176.26 1i13 s THR 87 N -3.30 1.92 0.29 -5.08 -4.23 -1.26 -5.07 115.64 98.91 1i13 s THR 87 Ca -0.01 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 1i13 s THR 87 Cb 0.14 -1.91 -0.12 0.00 1.34 0.00 0.00 72.50 71.95 1i13 s THR 87 CO 0.87 -0.30 1.56 -0.24 -0.54 0.00 0.00 174.62 175.96 1i13 n SER 88 N 0.22 3.66 0.23 3.99 2.88 -1.26 -4.60 113.62 118.73 1i13 n SER 88 Ca -0.12 1.15 0.15 0.00 -1.33 0.00 0.00 58.87 58.72 1i13 n SER 88 Cb 0.57 -1.57 0.58 0.00 -0.75 0.00 0.00 64.21 63.05 1i13 n SER 88 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i13 h SER 89 N 4.58 0.00 0.00 -3.46 4.64 -1.69 -3.46 113.55 114.16 1i13 h SER 89 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1i13 h SER 89 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1i13 h SER 89 CO 0.78 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.35 1i13 n GLY 90 N 0.18 0.97 3.19 -0.77 0.00 -1.26 -5.01 105.19 102.49 1i13 n GLY 90 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1i13 n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i13 s GLN 91 N -0.58 1.66 -0.28 1.61 -0.21 -1.26 -5.12 119.66 115.49 1i13 s GLN 91 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 55.36 54.66 1i13 s GLN 91 Cb 0.00 -1.57 0.03 0.00 1.00 0.00 0.00 33.01 32.48 1i13 s GLN 91 CO 0.00 0.39 -0.01 0.08 -2.12 0.00 0.00 175.29 173.63 1i13 s VAL 92 N -0.37 3.13 -0.19 1.09 1.01 -1.26 -4.35 120.40 119.46 1i13 s VAL 92 Ca 0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1i13 s VAL 92 Cb -0.08 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1i13 s VAL 92 CO -0.00 0.07 0.19 -0.13 0.00 0.00 0.00 175.10 175.23 1i13 s ARG 93 N 1.33 4.20 -0.32 2.72 3.00 0.11 -4.93 118.95 125.06 1i13 s ARG 93 Ca -0.01 -0.12 -0.19 0.00 0.00 0.00 0.00 55.73 55.41 1i13 s ARG 93 Cb -0.18 -3.44 -0.01 0.00 0.00 0.00 0.00 34.95 31.32 1i13 s ARG 93 CO -0.02 0.24 0.58 1.41 0.00 0.00 0.00 175.30 177.51 1i13 s MET 94 N 0.51 3.81 -0.04 3.54 -2.45 -1.26 -0.35 119.30 123.06 1i13 s MET 94 Ca 0.11 0.13 0.18 0.00 -1.25 0.00 0.00 55.69 54.86 1i13 s MET 94 Cb -0.12 -3.75 -0.27 0.00 1.25 0.00 0.00 34.83 31.94 1i13 s MET 94 CO 0.01 -0.59 0.35 1.28 1.05 0.00 0.00 175.02 177.12 1i13 n LEU 95 N 5.83 0.00 -3.62 4.11 4.77 0.35 -4.97 117.00 123.48 1i13 n LEU 95 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1i13 n LEU 95 Cb 0.49 0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1i13 n LEU 95 CO 0.45 0.05 0.38 -0.22 -1.33 0.00 0.00 177.39 176.73 1i13 s LEU 96 N -4.36 -0.94 0.00 2.23 2.96 -0.95 -4.90 118.68 112.72 1i13 s LEU 96 Ca -0.07 1.38 0.09 0.00 -0.22 0.00 0.00 54.13 55.31 1i13 s LEU 96 Cb 0.11 2.20 0.09 0.00 0.50 0.00 0.00 46.19 49.08 1i13 s LEU 96 CO 0.73 -0.20 0.76 -0.67 -1.32 0.00 0.00 176.35 175.65 1i13 n ASP 97 N 4.81 2.20 -4.75 3.68 -0.08 -1.26 -0.73 116.55 120.42 1i13 n ASP 97 Ca -0.15 -2.59 -0.37 0.00 -1.51 0.00 0.00 54.79 50.17 1i13 n ASP 97 Cb 0.54 -0.38 0.04 0.00 2.34 0.00 0.00 41.12 43.66 1i13 n ASP 97 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1i13 s THR 98 N -2.63 2.43 0.13 5.18 -4.23 -1.26 -4.75 115.64 110.50 1i13 s THR 98 Ca 0.57 0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1i13 s THR 98 Cb -0.05 -3.13 -0.19 0.00 1.34 0.00 0.00 72.50 70.47 1i13 s THR 98 CO 0.36 -0.03 1.29 0.08 -0.54 0.00 0.00 174.62 175.78 1i13 h ARG 99 N 1.18 0.39 -5.99 3.99 -0.00 -1.97 -3.46 114.38 108.51 1i13 h ARG 99 Ca -0.51 -0.44 -0.61 0.00 -0.00 0.00 0.00 59.98 58.43 1i13 h ARG 99 Cb 1.30 0.13 -0.13 0.00 -0.00 0.00 0.00 29.97 31.27 1i13 h ARG 99 CO 0.56 1.11 -0.67 -1.01 -0.00 0.00 0.00 179.97 179.96 1i13 s HIS 100 N -3.21 2.44 0.48 4.08 3.76 -1.26 -5.12 115.29 116.46 1i13 s HIS 100 Ca -0.06 -0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 54.18 1i13 s HIS 100 Cb 0.09 -1.37 -0.07 0.00 1.11 0.00 0.00 32.58 32.34 1i13 s HIS 100 CO 0.87 0.57 1.12 0.45 -0.85 0.00 0.00 174.74 176.90 1i13 s SER 101 N -3.63 6.10 0.00 1.40 0.15 -1.26 -4.94 113.70 111.52 1i13 s SER 101 Ca 0.33 2.19 0.17 0.00 0.70 0.00 0.00 55.95 59.33 1i13 s SER 101 Cb 0.01 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.70 1i13 s SER 101 CO 0.17 -0.96 0.85 2.30 1.20 0.00 0.00 173.24 176.80 1i13 n ILE 102 N -0.78 0.00 -1.66 6.45 -5.35 -1.26 -4.97 119.36 111.79 1i13 n ILE 102 Ca 0.09 -0.30 -0.49 0.00 -0.27 0.00 0.00 62.75 61.78 1i13 n ILE 102 Cb 0.50 1.17 -0.05 0.00 -1.74 0.00 0.00 39.64 39.52 1i13 n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i13 n GLU 103 N -0.27 1.84 -0.93 6.28 2.13 -1.25 -1.24 120.64 127.21 1i13 n GLU 103 Ca 0.06 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1i13 n GLU 103 Cb 0.34 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.63 1i13 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i13 n GLY 104 N 3.53 0.83 3.81 8.31 0.00 -0.26 -4.84 105.19 116.57 1i13 n GLY 104 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1i13 n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i13 s HIS 105 N -3.49 3.08 -0.20 1.61 3.76 -0.37 -4.00 115.29 115.67 1i13 s HIS 105 Ca 0.00 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.56 1i13 s HIS 105 Cb 0.00 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.29 1i13 s HIS 105 CO 0.00 0.53 0.75 -1.01 -0.85 0.00 0.00 174.74 174.16 1i13 s HIS 106 N -2.13 3.37 -0.08 1.40 3.76 -1.26 0.11 115.29 120.46 1i13 s HIS 106 Ca 0.33 1.08 0.05 0.00 -0.15 0.00 0.00 55.06 56.36 1i13 s HIS 106 Cb -0.08 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.67 1i13 s HIS 106 CO 0.24 -0.27 -0.23 0.08 -0.85 0.00 0.00 174.74 173.71 1i13 s VAL 107 N 2.27 2.16 -0.23 -0.90 1.01 -0.44 -0.68 120.40 123.59 1i13 s VAL 107 Ca 0.33 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1i13 s VAL 107 Cb -0.16 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.47 1i13 s VAL 107 CO 0.10 0.56 -0.06 -0.22 0.00 0.00 0.00 175.10 175.49 1i13 s LEU 108 N 0.02 2.48 0.02 3.92 2.96 0.17 -1.45 118.68 126.79 1i13 s LEU 108 Ca -0.09 -1.13 -0.30 0.00 -0.22 0.00 0.00 54.13 52.39 1i13 s LEU 108 Cb -0.15 -1.16 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1i13 s LEU 108 CO 0.06 -0.23 1.13 -0.63 -1.32 0.00 0.00 176.35 175.36 1i13 s ILE 109 N 1.41 4.34 -0.29 6.68 1.01 0.19 -1.62 121.20 132.93 1i13 s ILE 109 Ca -0.05 1.68 -0.06 0.00 0.00 0.00 0.00 60.65 62.22 1i13 s ILE 109 Cb -0.18 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.22 1i13 s ILE 109 CO -0.06 0.10 0.05 -0.69 0.00 0.00 0.00 174.94 174.34 1i13 s VAL 110 N 1.30 3.78 0.07 2.92 1.01 0.32 -0.46 120.40 129.34 1i13 s VAL 110 Ca 0.56 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1i13 s VAL 110 Cb -0.26 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 1i13 s VAL 110 CO 0.27 0.11 -0.20 -1.61 0.00 0.00 0.00 175.10 173.67 1i13 s GLU 111 N 1.47 1.20 0.11 2.72 0.41 -0.17 -2.50 118.70 121.94 1i13 s GLU 111 Ca 0.02 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.55 1i13 s GLU 111 Cb -0.17 -1.37 -0.19 0.00 -1.78 0.00 0.00 34.13 30.62 1i13 s GLU 111 CO 0.01 0.33 1.24 0.38 -0.49 0.00 0.00 175.26 176.74 1i13 h ASP 112 N 4.46 0.29 -4.72 -0.19 2.03 -1.86 -0.10 116.42 116.32 1i13 h ASP 112 Ca -0.44 -0.28 -0.06 0.00 -0.73 0.00 0.00 57.03 55.52 1i13 h ASP 112 Cb 1.17 -0.09 -0.20 0.00 -0.83 0.00 0.00 39.33 39.38 1i13 h ASP 112 CO 0.42 1.18 0.14 -0.51 -1.03 0.00 0.00 179.24 179.43 1i13 s ILE 113 N -2.84 0.00 -0.13 4.15 2.07 -1.26 -0.83 121.20 122.36 1i13 s ILE 113 Ca -0.03 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1i13 s ILE 113 Cb 0.09 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.72 1i13 s ILE 113 CO 0.85 -0.01 -0.18 0.54 -1.91 0.00 0.00 174.94 174.23 1i13 s VAL 114 N -0.77 1.73 0.00 4.00 0.11 -0.49 -4.95 120.40 120.03 1i13 s VAL 114 Ca -0.08 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1i13 s VAL 114 Cb -0.02 -1.57 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 1i13 s VAL 114 CO 0.07 0.49 0.00 0.00 -3.33 0.00 0.00 175.10 172.33 1i13 n ALA 115 N 4.27 0.79 0.26 1.54 0.00 -1.26 -0.63 120.51 125.47 1i13 n ALA 115 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.38 1i13 n ALA 115 Cb 0.51 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.62 1i13 n ALA 115 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1i13 h THR 116 N 0.00 0.47 0.00 0.00 1.35 -1.81 -2.81 112.91 110.11 1i13 h THR 116 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1i13 h THR 116 Cb 0.00 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1i13 h THR 116 CO 0.00 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.40 1i13 n ALA 117 N -2.23 0.00 -0.27 6.62 0.00 -1.26 -0.84 120.51 122.52 1i13 n ALA 117 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1i13 n ALA 117 Cb 0.30 -0.23 0.06 0.00 0.00 0.00 0.00 19.45 19.58 1i13 n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i13 h LEU 118 N 0.00 0.92 0.64 0.00 3.38 -1.89 0.68 115.31 119.04 1i13 h LEU 118 Ca 0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1i13 h LEU 118 Cb 0.13 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.66 1i13 h LEU 118 CO 0.00 0.75 -0.31 0.74 0.09 0.00 0.00 178.44 179.71 1i13 h THR 119 N 1.03 0.32 -0.13 0.22 2.02 -1.96 -0.95 112.91 113.46 1i13 h THR 119 Ca 0.26 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 1i13 h THR 119 Cb 0.02 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1i13 h THR 119 CO -0.04 0.02 -0.17 0.25 0.37 0.00 0.00 175.52 175.94 1i13 h LEU 120 N -0.97 0.20 -0.33 2.58 5.85 -1.94 0.09 115.31 120.80 1i13 h LEU 120 Ca -0.09 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1i13 h LEU 120 Cb 0.69 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1i13 h LEU 120 CO 0.14 0.39 -0.08 -1.13 -0.34 0.00 0.00 178.44 177.43 1i13 h ASN 121 N 0.19 0.63 -0.30 1.25 -1.24 -0.74 0.20 115.58 115.58 1i13 h ASN 121 Ca 0.04 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.66 1i13 h ASN 121 Cb 0.43 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.29 1i13 h ASN 121 CO 0.03 0.85 0.08 0.22 -1.29 0.00 0.00 177.43 177.32 1i13 h TYR 122 N 0.41 0.49 -0.12 0.67 3.20 -0.68 -2.22 116.97 118.71 1i13 h TYR 122 Ca 0.08 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1i13 h TYR 122 Cb 0.58 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1i13 h TYR 122 CO 0.05 0.52 0.04 -0.07 -1.64 0.00 0.00 178.16 177.05 1i13 h LEU 123 N 0.32 0.18 -0.74 2.82 3.38 -0.85 -1.45 115.31 118.97 1i13 h LEU 123 Ca 0.09 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1i13 h LEU 123 Cb 0.27 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1i13 h LEU 123 CO -0.00 0.34 0.47 0.22 0.09 0.00 0.00 178.44 179.57 1i13 h TYR 124 N 0.01 0.89 -0.51 1.13 3.20 -0.61 -1.45 116.97 119.62 1i13 h TYR 124 Ca 0.04 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1i13 h TYR 124 Cb 0.23 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1i13 h TYR 124 CO 0.00 0.52 0.16 0.45 -1.64 0.00 0.00 178.16 177.64 1i13 h HIS 125 N 0.93 0.82 -0.01 -3.82 3.86 -1.24 0.34 115.15 116.03 1i13 h HIS 125 Ca 0.29 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1i13 h HIS 125 Cb -0.00 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 1i13 h HIS 125 CO -0.03 0.71 0.00 1.98 0.86 0.00 0.00 177.93 181.45 1i13 h MET 126 N 0.69 0.01 0.00 2.45 1.85 -0.72 -2.93 114.93 116.28 1i13 h MET 126 Ca 0.16 -0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 59.15 1i13 h MET 126 Cb 0.28 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.29 1i13 h MET 126 CO -0.01 0.06 -0.51 1.88 -0.40 0.00 0.00 176.91 177.93 1i13 h TYR 127 N -0.04 0.00 -0.60 1.39 -1.99 -1.25 -3.23 116.97 111.25 1i13 h TYR 127 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i13 h TYR 127 Cb 0.05 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 1i13 h TYR 127 CO -0.06 0.51 0.38 0.35 -0.00 0.00 0.00 178.16 179.35 1i13 h PHE 128 N 0.00 0.77 0.00 4.88 3.57 -0.75 -0.55 116.94 124.86 1i13 h PHE 128 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1i13 h PHE 128 Cb 0.99 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1i13 h PHE 128 CO 0.00 0.50 0.00 0.25 -2.23 0.00 0.00 178.31 176.83 1i13 n THR 129 N -4.65 0.82 1.25 4.41 -2.24 -1.14 -2.35 114.28 110.38 1i13 n THR 129 Ca 0.04 0.20 0.10 0.00 -2.27 0.00 0.00 64.05 62.13 1i13 n THR 129 Cb 0.03 -0.97 0.37 0.00 -2.10 0.00 0.00 70.33 67.66 1i13 n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i13 n ARG 130 N -1.38 1.69 -3.56 -0.78 1.74 -0.21 -4.97 116.66 109.19 1i13 n ARG 130 Ca 0.05 -1.04 -0.19 0.00 -0.77 0.00 0.00 57.85 55.91 1i13 n ARG 130 Cb 0.13 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 30.26 1i13 n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i13 n ARG 131 N 0.26 -5.85 -1.38 5.56 -4.01 -0.99 -3.81 116.66 106.45 1i13 n ARG 131 Ca 0.16 0.74 -0.30 0.00 -1.04 0.00 0.00 57.85 57.41 1i13 n ARG 131 Cb 0.31 -5.55 0.11 0.00 -3.04 0.00 0.00 32.46 24.29 1i13 n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1i13 s PRO 132 N -5.66 1.82 0.37 2.89 0.04 -1.26 -1.10 135.00 132.11 1i13 s PRO 132 Ca 0.01 0.79 0.05 0.00 0.04 0.00 0.00 61.00 61.90 1i13 s PRO 132 Cb -0.00 -1.87 0.73 0.00 0.04 0.00 0.00 34.50 33.39 1i13 s PRO 132 CO 0.77 -1.85 1.98 0.00 0.04 0.00 0.00 177.00 177.94 1i13 h ALA 133 N -1.26 1.56 -2.03 8.56 0.00 0.64 -3.41 119.26 123.32 1i13 h ALA 133 Ca -0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1i13 h ALA 133 Cb 1.27 -0.17 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1i13 h ALA 133 CO 0.56 0.35 0.25 -1.54 0.00 0.00 0.00 179.25 178.88 1i13 s SER 134 N -6.68 -0.60 -0.05 0.00 1.04 -1.19 -4.94 113.70 101.28 1i13 s SER 134 Ca -0.08 0.59 -0.01 0.00 0.48 0.00 0.00 55.95 56.92 1i13 s SER 134 Cb 0.17 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.82 1i13 s SER 134 CO 0.75 -0.60 0.02 -0.22 0.98 0.00 0.00 173.24 174.16 1i13 s LEU 135 N -1.35 0.59 0.22 2.42 2.96 -1.26 -1.33 118.68 120.92 1i13 s LEU 135 Ca -0.08 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1i13 s LEU 135 Cb -0.00 -0.32 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 1i13 s LEU 135 CO 0.06 -0.19 0.07 -0.54 -1.32 0.00 0.00 176.35 174.43 1i13 s LYS 136 N 1.83 1.27 0.01 1.98 1.02 -0.53 -5.03 119.74 120.29 1i13 s LYS 136 Ca 0.02 -1.66 0.02 0.00 0.02 0.00 0.00 55.97 54.36 1i13 s LYS 136 Cb -0.12 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.01 1i13 s LYS 136 CO -0.04 -0.26 -0.05 0.95 -0.92 0.00 0.00 175.35 175.03 1i13 s THR 137 N -3.79 0.41 -0.10 2.17 -4.23 -1.26 -0.64 115.64 108.20 1i13 s THR 137 Ca 0.33 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.46 1i13 s THR 137 Cb 0.07 -0.38 0.02 0.00 1.34 0.00 0.00 72.50 73.55 1i13 s THR 137 CO 0.10 0.00 -0.12 0.54 -0.54 0.00 0.00 174.62 174.60 1i13 s VAL 138 N -0.39 1.27 0.03 2.29 0.11 0.39 -1.69 120.40 122.41 1i13 s VAL 138 Ca -0.01 -0.50 0.06 0.00 -2.93 0.00 0.00 61.98 58.60 1i13 s VAL 138 Cb -0.04 -1.19 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 1i13 s VAL 138 CO -0.00 0.40 -0.16 0.68 -3.33 0.00 0.00 175.10 172.68 1i13 s VAL 139 N 1.11 2.92 -0.07 2.04 -7.23 -0.50 -1.00 120.40 117.68 1i13 s VAL 139 Ca -0.05 -1.09 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 1i13 s VAL 139 Cb -0.14 -2.23 -0.23 0.00 0.56 0.00 0.00 36.38 34.34 1i13 s VAL 139 CO -0.02 0.37 1.06 0.25 -0.31 0.00 0.00 175.10 176.45 1i13 h LEU 140 N 4.62 0.04 -8.49 1.32 5.85 -0.94 -2.34 115.31 115.37 1i13 h LEU 140 Ca -0.48 -0.70 -0.60 0.00 0.84 0.00 0.00 57.88 56.94 1i13 h LEU 140 Cb 1.16 -0.01 -0.28 0.00 0.37 0.00 0.00 40.66 41.89 1i13 h LEU 140 CO 0.49 0.74 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.71 1i13 s LEU 141 N -8.78 2.09 -0.22 2.25 1.43 -0.01 -1.21 118.68 114.22 1i13 s LEU 141 Ca -0.17 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.51 1i13 s LEU 141 Cb -0.00 -1.04 0.05 0.00 0.03 0.00 0.00 46.19 45.23 1i13 s LEU 141 CO 0.69 0.22 -0.12 -0.62 0.23 0.00 0.00 176.35 176.75 1i13 s ASP 142 N -0.78 3.83 -1.18 2.29 -1.08 0.03 -1.39 116.67 118.39 1i13 s ASP 142 Ca 0.08 -1.09 -0.10 0.00 -0.52 0.00 0.00 52.55 50.93 1i13 s ASP 142 Cb -0.08 -1.41 0.22 0.00 -1.46 0.00 0.00 42.92 40.19 1i13 s ASP 142 CO 0.00 -0.14 1.48 1.17 0.52 0.00 0.00 175.17 178.20 1i13 n LYS 143 N 4.56 3.70 -0.31 4.34 4.81 0.20 -0.92 118.16 134.54 1i13 n LYS 143 Ca -0.15 -4.05 0.14 0.00 -0.87 0.00 0.00 58.31 53.37 1i13 n LYS 143 Cb 0.45 -2.79 0.32 0.00 0.02 0.00 0.00 35.03 33.03 1i13 n LYS 143 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i13 h ARG 144 N 6.32 0.39 -0.64 1.64 2.47 -1.82 -0.83 114.38 121.92 1i13 h ARG 144 Ca 0.28 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1i13 h ARG 144 Cb 0.76 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1i13 h ARG 144 CO 1.31 0.26 0.00 -0.85 0.56 0.00 0.00 179.97 181.25 1i13 n GLU 145 N -5.04 1.52 -0.09 0.04 0.28 -1.26 -3.65 120.64 112.44 1i13 n GLU 145 Ca 0.23 -0.49 0.05 0.00 -0.16 0.00 0.00 57.16 56.79 1i13 n GLU 145 Cb 0.67 -1.44 0.10 0.00 1.43 0.00 0.00 31.44 32.20 1i13 n GLU 145 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i13 n GLY 146 N 0.32 1.36 3.77 -1.84 0.00 -0.32 -4.96 105.19 103.51 1i13 n GLY 146 Ca 0.04 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 1i13 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i13 s ARG 147 N -0.96 4.16 -0.07 1.61 1.81 -1.06 -2.68 118.95 121.76 1i13 s ARG 147 Ca 0.18 2.33 0.05 0.00 -1.72 0.00 0.00 55.73 56.57 1i13 s ARG 147 Cb 0.11 -2.95 -0.08 0.00 -0.45 0.00 0.00 34.95 31.58 1i13 s ARG 147 CO 0.15 -0.40 0.01 0.54 -0.68 0.00 0.00 175.30 174.92 1i13 n ARG 148 N 0.49 2.54 -4.17 3.54 1.74 -0.02 -4.91 116.66 115.87 1i13 n ARG 148 Ca 0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.93 1i13 n ARG 148 Cb 0.41 -1.17 -0.12 0.00 -1.02 0.00 0.00 32.46 30.56 1i13 n ARG 148 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i13 s VAL 149 N -2.16 0.79 0.32 1.55 0.11 -0.98 -5.09 120.40 114.95 1i13 s VAL 149 Ca -0.04 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 57.74 1i13 s VAL 149 Cb 0.02 -0.78 -0.09 0.00 -1.53 0.00 0.00 36.38 34.00 1i13 s VAL 149 CO 0.25 -0.18 1.11 -2.16 -3.33 0.00 0.00 175.10 170.79 1i13 s PRO 150 N -1.31 4.46 -0.29 1.54 0.04 -1.26 -4.64 135.00 133.55 1i13 s PRO 150 Ca -0.04 1.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.59 1i13 s PRO 150 Cb -0.08 -2.99 0.12 0.00 0.04 0.00 0.00 34.50 31.59 1i13 s PRO 150 CO 0.01 0.06 0.92 0.12 0.04 0.00 0.00 177.00 178.14 1i13 s PHE 151 N -1.30 -0.66 -0.16 0.56 5.36 -1.26 -4.98 117.98 115.54 1i13 s PHE 151 Ca 0.49 1.39 -0.00 0.00 -0.96 0.00 0.00 56.93 57.84 1i13 s PHE 151 Cb -0.30 0.41 0.04 0.00 -0.34 0.00 0.00 43.02 42.82 1i13 s PHE 151 CO 0.38 -0.33 -0.07 -1.54 -1.46 0.00 0.00 175.22 172.21 1i13 s SER 152 N 1.12 2.85 0.57 6.13 1.04 -1.26 -5.08 113.70 119.07 1i13 s SER 152 Ca -0.06 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.53 1i13 s SER 152 Cb -0.04 -0.97 -0.05 0.00 0.10 0.00 0.00 66.02 65.07 1i13 s SER 152 CO -0.13 -0.17 1.11 0.00 0.98 0.00 0.00 173.24 175.03 1i13 s ALA 153 N 1.60 2.66 0.25 5.32 0.00 -1.26 -4.95 121.76 125.37 1i13 s ALA 153 Ca 0.01 0.70 0.14 0.00 0.00 0.00 0.00 51.96 52.81 1i13 s ALA 153 Cb -0.15 -3.33 0.53 0.00 0.00 0.00 0.00 23.12 20.18 1i13 s ALA 153 CO -0.08 -0.85 1.69 -0.44 0.00 0.00 0.00 175.76 176.08 1i13 h ASP 154 N 0.89 0.00 -3.58 0.00 3.32 -1.71 -3.44 116.42 111.90 1i13 h ASP 154 Ca -0.49 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.28 1i13 h ASP 154 Cb 1.25 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.48 1i13 h ASP 154 CO 0.56 0.49 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.54 1i13 s TYR 155 N -3.69 0.02 -0.10 4.55 1.51 -0.81 -5.01 117.35 113.83 1i13 s TYR 155 Ca -0.01 0.10 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 1i13 s TYR 155 Cb 0.12 -0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.82 1i13 s TYR 155 CO 0.73 -0.07 -0.10 0.08 -1.11 0.00 0.00 175.55 175.08 1i13 s VAL 156 N 0.79 1.15 0.05 0.71 1.01 -1.26 -1.41 120.40 121.44 1i13 s VAL 156 Ca -0.07 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1i13 s VAL 156 Cb -0.09 -1.11 -0.31 0.00 0.00 0.00 0.00 36.38 34.87 1i13 s VAL 156 CO -0.02 0.38 1.09 0.58 0.00 0.00 0.00 175.10 177.12 1i13 h VAL 157 N 6.08 1.31 -2.63 2.92 2.07 -1.38 -3.48 116.25 121.14 1i13 h VAL 157 Ca -0.31 -2.60 -0.09 0.00 0.82 0.00 0.00 66.70 64.52 1i13 h VAL 157 Cb 1.15 2.82 -0.19 0.00 -1.52 0.00 0.00 31.29 33.55 1i13 h VAL 157 CO 0.45 0.78 -0.06 0.00 0.02 0.00 0.00 177.57 178.76 1i13 s ALA 158 N -2.84 -1.21 -0.03 1.67 0.00 -0.35 -4.98 121.76 114.01 1i13 s ALA 158 Ca -0.08 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.60 1i13 s ALA 158 Cb 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1i13 s ALA 158 CO 0.93 -0.34 -0.03 -0.80 0.00 0.00 0.00 175.76 175.52 1i13 s ASN 159 N -1.40 4.95 0.09 0.00 0.01 -1.26 -0.79 114.94 116.55 1i13 s ASN 159 Ca -0.11 -0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.06 1i13 s ASN 159 Cb -0.02 -1.28 -0.04 0.00 0.41 0.00 0.00 41.25 40.32 1i13 s ASN 159 CO 0.05 0.32 -0.09 0.27 -1.51 0.00 0.00 177.10 176.13 1i13 s ILE 160 N -0.97 0.89 1.03 0.60 -4.36 -0.10 -4.86 121.20 113.42 1i13 s ILE 160 Ca 0.16 -1.66 -0.16 0.00 -0.26 0.00 0.00 60.65 58.74 1i13 s ILE 160 Cb -0.11 -1.37 0.21 0.00 1.25 0.00 0.00 42.46 42.44 1i13 s ILE 160 CO 0.06 -0.60 1.19 -2.84 0.24 0.00 0.00 174.94 173.00 1i13 s PRO 161 N -2.88 0.14 -1.21 0.37 0.02 -1.26 -4.11 135.00 126.06 1i13 s PRO 161 Ca 0.06 -0.07 -0.19 0.00 0.02 0.00 0.00 61.00 60.81 1i13 s PRO 161 Cb -0.02 -1.76 -0.02 0.00 0.02 0.00 0.00 34.50 32.73 1i13 s PRO 161 CO -0.01 -2.81 1.92 0.09 -0.33 0.00 0.00 177.00 175.87 1i13 n ASN 162 N -4.12 3.81 -3.95 2.53 3.02 -1.26 -4.86 115.26 110.44 1i13 n ASN 162 Ca 0.12 -2.80 -0.10 0.00 -0.03 0.00 0.00 54.58 51.77 1i13 n ASN 162 Cb 0.59 -1.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.03 1i13 n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i13 s ALA 163 N 6.09 0.02 -0.31 5.41 0.00 -1.26 -5.11 121.76 126.59 1i13 s ALA 163 Ca 0.57 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 1i13 s ALA 163 Cb 0.06 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1i13 s ALA 163 CO 0.07 -0.15 1.09 0.12 0.00 0.00 0.00 175.76 176.89 1i13 s PHE 164 N -1.29 3.13 0.14 0.00 5.36 -1.26 -5.02 117.98 119.04 1i13 s PHE 164 Ca -0.14 1.19 0.03 0.00 -0.96 0.00 0.00 56.93 57.05 1i13 s PHE 164 Cb -0.09 -3.69 -0.04 0.00 -0.34 0.00 0.00 43.02 38.87 1i13 s PHE 164 CO -0.00 -0.82 0.22 0.14 -1.46 0.00 0.00 175.22 173.30 1i13 s VAL 165 N 3.67 5.06 0.12 3.12 -7.23 -1.26 -1.89 120.40 121.98 1i13 s VAL 165 Ca 0.46 -0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 1i13 s VAL 165 Cb -0.13 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 1i13 s VAL 165 CO 0.15 -0.05 0.10 0.27 -0.31 0.00 0.00 175.10 175.26 1i13 s ILE 166 N -1.69 0.12 0.00 -0.62 -4.36 -0.23 -4.62 121.20 109.80 1i13 s ILE 166 Ca 0.33 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.01 1i13 s ILE 166 Cb -0.11 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.77 1i13 s ILE 166 CO 0.27 -0.56 0.00 0.61 0.24 0.00 0.00 174.94 175.50 1i13 n GLY 167 N -0.07 2.33 3.79 6.27 0.00 0.17 -1.17 105.19 116.51 1i13 n GLY 167 Ca -0.08 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 1i13 n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i13 n TYR 168 N 1.72 -2.13 0.00 1.61 9.36 0.13 -1.56 117.16 126.29 1i13 n TYR 168 Ca 0.00 0.88 0.00 0.00 3.32 0.00 0.00 57.90 62.10 1i13 n TYR 168 Cb 0.00 -4.26 0.00 0.00 -0.63 0.00 0.00 39.34 34.45 1i13 n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i13 n GLY 169 N -1.64 3.19 3.74 2.98 0.00 0.14 -4.57 105.19 109.03 1i13 n GLY 169 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1i13 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i13 s LEU 170 N 0.00 4.50 0.39 0.99 1.43 -0.60 -4.26 118.68 121.12 1i13 s LEU 170 Ca 0.00 1.62 0.05 0.00 -1.03 0.00 0.00 54.13 54.77 1i13 s LEU 170 Cb 0.00 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.77 1i13 s LEU 170 CO 0.00 0.02 0.04 1.51 0.23 0.00 0.00 176.35 178.15 1i13 s ASP 171 N -0.23 3.17 -0.15 2.29 -4.77 -1.26 -0.66 116.67 115.06 1i13 s ASP 171 Ca 0.41 -1.44 -0.04 0.00 -3.30 0.00 0.00 52.55 48.19 1i13 s ASP 171 Cb -0.22 -0.06 0.05 0.00 -1.09 0.00 0.00 42.92 41.60 1i13 s ASP 171 CO 0.26 -0.61 0.06 -0.47 0.70 0.00 0.00 175.17 175.11 1i13 s TYR 172 N -3.03 0.46 -1.27 2.11 5.04 -0.92 -4.81 117.35 114.94 1i13 s TYR 172 Ca 0.31 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.56 1i13 s TYR 172 Cb 0.08 -0.77 -0.00 0.00 0.35 0.00 0.00 41.96 41.61 1i13 s TYR 172 CO 0.15 -0.48 0.80 -3.47 -1.34 0.00 0.00 175.55 171.21 1i13 n ASP 173 N 5.20 -1.51 -3.06 4.32 2.03 -1.25 -1.89 116.55 120.39 1i13 n ASP 173 Ca -0.07 -0.75 -0.18 0.00 0.52 0.00 0.00 54.79 54.31 1i13 n ASP 173 Cb 0.49 -4.43 -0.01 0.00 -0.72 0.00 0.00 41.12 36.45 1i13 n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i13 n ASP 174 N -3.08 -3.12 -4.32 1.67 8.00 -1.26 -4.95 116.55 109.49 1i13 n ASP 174 Ca -0.29 -0.14 -0.22 0.00 0.71 0.00 0.00 54.79 54.84 1i13 n ASP 174 Cb 0.67 -2.64 -0.11 0.00 -0.02 0.00 0.00 41.12 39.02 1i13 n ASP 174 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1i13 s THR 175 N -2.70 1.77 0.00 -3.53 2.01 -0.79 -4.81 115.64 107.58 1i13 s THR 175 Ca 0.26 -1.87 0.00 0.00 0.31 0.00 0.00 61.69 60.39 1i13 s THR 175 Cb -0.14 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1i13 s THR 175 CO 0.32 -0.30 0.00 -1.22 -0.69 0.00 0.00 174.62 172.73 1i13 n TYR 176 N 0.39 0.00 0.28 4.92 4.02 -1.26 -2.16 117.16 123.34 1i13 n TYR 176 Ca -0.14 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.88 1i13 n TYR 176 Cb 0.57 -0.30 0.84 0.00 -0.02 0.00 0.00 39.34 40.42 1i13 n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i13 h ARG 177 N 2.24 0.00 -0.00 -0.72 3.08 -1.84 -2.76 114.38 114.37 1i13 h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i13 h ARG 177 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1i13 h ARG 177 CO 0.00 0.03 -0.06 -0.85 -1.07 0.00 0.00 179.97 178.02 1i13 n GLU 178 N -3.92 0.43 -1.85 0.04 0.00 -1.26 0.25 120.64 114.32 1i13 n GLU 178 Ca -0.03 -0.07 -0.40 0.00 0.00 0.00 0.00 57.16 56.66 1i13 n GLU 178 Cb 0.11 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.07 1i13 n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i13 s LEU 179 N -2.62 4.12 0.41 -1.84 1.43 -1.10 -4.78 118.68 114.29 1i13 s LEU 179 Ca 0.26 2.86 0.22 0.00 -1.03 0.00 0.00 54.13 56.43 1i13 s LEU 179 Cb 0.20 -3.95 0.36 0.00 0.03 0.00 0.00 46.19 42.83 1i13 s LEU 179 CO 0.49 -1.14 1.60 0.03 0.23 0.00 0.00 176.35 177.56 1i13 h ARG 180 N 2.34 0.00 -6.12 1.70 3.08 -1.93 0.40 114.38 113.85 1i13 h ARG 180 Ca -0.51 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.00 1i13 h ARG 180 Cb 1.26 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 1i13 h ARG 180 CO 0.61 0.14 -0.57 -0.51 -1.07 0.00 0.00 179.97 178.57 1i13 s ASP 181 N -6.24 4.65 -0.26 7.04 1.01 -1.26 -3.67 116.67 117.94 1i13 s ASP 181 Ca 0.06 -0.74 -0.10 0.00 0.71 0.00 0.00 52.55 52.48 1i13 s ASP 181 Cb 0.06 -0.77 -0.05 0.00 1.01 0.00 0.00 42.92 43.18 1i13 s ASP 181 CO 0.68 -0.21 0.16 -0.63 0.21 0.00 0.00 175.17 175.37 1i13 s ILE 182 N -2.40 5.16 0.18 0.77 1.01 -0.31 -3.73 121.20 121.88 1i13 s ILE 182 Ca 0.36 0.12 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1i13 s ILE 182 Cb -0.03 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 1i13 s ILE 182 CO 0.22 0.30 -0.08 0.68 0.00 0.00 0.00 174.94 176.06 1i13 s VAL 183 N 1.47 1.20 -0.18 2.92 -7.23 -0.31 0.34 120.40 118.60 1i13 s VAL 183 Ca 0.07 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 57.97 1i13 s VAL 183 Cb -0.15 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1i13 s VAL 183 CO 0.08 -0.60 0.55 -0.69 -0.31 0.00 0.00 175.10 174.13 1i13 s VAL 184 N -3.31 5.09 0.09 1.32 1.01 0.45 -1.07 120.40 123.99 1i13 s VAL 184 Ca 0.21 1.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1i13 s VAL 184 Cb 0.03 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 1i13 s VAL 184 CO 0.04 0.19 1.07 -0.22 0.00 0.00 0.00 175.10 176.18 1i13 s LEU 185 N 1.47 4.43 0.24 3.92 2.96 -0.80 -0.30 118.68 130.61 1i13 s LEU 185 Ca 0.27 1.90 -0.30 0.00 -0.22 0.00 0.00 54.13 55.78 1i13 s LEU 185 Cb -0.16 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 1i13 s LEU 185 CO 0.10 -0.28 1.42 -0.13 -1.32 0.00 0.00 176.35 176.15 1i13 s ARG 186 N 0.47 4.29 0.46 1.98 0.52 -0.51 -4.72 118.95 121.43 1i13 s ARG 186 Ca 0.52 2.27 0.16 0.00 -0.52 0.00 0.00 55.73 58.16 1i13 s ARG 186 Cb -0.26 -3.12 1.08 0.00 0.52 0.00 0.00 34.95 33.17 1i13 s ARG 186 CO 0.31 -0.39 2.02 -1.35 0.02 0.00 0.00 175.30 175.90 1i13 h PRO 187 N 5.05 0.00 0.00 3.54 0.11 -1.95 -1.94 132.00 136.81 1i13 h PRO 187 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1i13 h PRO 187 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1i13 h PRO 187 CO 0.77 0.16 -0.15 0.93 -0.21 0.00 0.00 178.00 179.50 1i13 h GLU 188 N 0.00 0.00 0.01 1.05 3.07 -1.97 0.50 114.58 117.23 1i13 h GLU 188 Ca -0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1i13 h GLU 188 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 1i13 h GLU 188 CO 0.02 0.15 -0.07 0.28 -1.40 0.00 0.00 179.01 178.00 1i13 h VAL 189 N 0.00 1.76 0.00 3.13 2.07 -1.72 -2.94 116.25 118.55 1i13 h VAL 189 Ca -0.00 -2.31 -0.06 0.00 0.82 0.00 0.00 66.70 65.14 1i13 h VAL 189 Cb 0.38 3.32 -0.01 0.00 -1.52 0.00 0.00 31.29 33.47 1i13 h VAL 189 CO 0.02 0.60 -0.31 0.10 0.02 0.00 0.00 177.57 178.01 1i13 h TYR 190 N -0.92 0.00 -0.27 1.57 -0.00 -1.24 -2.15 116.97 113.96 1i13 h TYR 190 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.58 1i13 h TYR 190 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.76 1i13 h TYR 190 CO 0.26 0.31 -0.37 0.00 -0.00 0.00 0.00 178.16 178.37 1i13 h ALA 191 N 1.69 0.40 -0.24 0.10 0.00 -0.12 0.38 119.26 121.47 1i13 h ALA 191 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1i13 h ALA 191 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1i13 h ALA 191 CO 0.04 0.48 0.08 1.49 0.00 0.00 0.00 179.25 181.34 1i13 h GLU 192 N 0.45 0.37 -0.21 0.00 4.81 -1.37 0.21 114.58 118.84 1i13 h GLU 192 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1i13 h GLU 192 Cb 0.95 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1i13 h GLU 192 CO 0.09 0.44 0.14 -0.09 -0.73 0.00 0.00 179.01 178.85 1i13 h ARG 193 N 0.23 0.28 -0.52 1.92 9.65 -1.23 -0.16 114.38 124.55 1i13 h ARG 193 Ca 0.08 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.91 1i13 h ARG 193 Cb 0.22 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 1i13 h ARG 193 CO -0.00 0.18 0.18 0.93 2.80 0.00 0.00 179.97 184.06 1i13 h GLU 194 N 0.29 0.76 -0.65 0.20 4.39 -0.11 -1.17 114.58 118.29 1i13 h GLU 194 Ca 0.08 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1i13 h GLU 194 Cb -0.03 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1i13 h GLU 194 CO -0.02 0.65 0.32 0.00 -1.16 0.00 0.00 179.01 178.80 1i13 h ALA 195 N 1.45 1.34 0.00 3.43 0.00 0.57 -2.00 119.26 124.04 1i13 h ALA 195 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i13 h ALA 195 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1i13 h ALA 195 CO -0.01 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1i13 n ALA 196 N -2.44 1.56 -1.02 0.00 0.00 -0.18 -5.08 120.51 113.34 1i13 n ALA 196 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1i13 n ALA 196 Cb 0.13 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1i13 n ALA 196 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39