#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0l h GLU 6 N 0.00 0.00 -0.02 -0.72 9.09 -2.05 -1.97 114.58 118.92 1i0l h GLU 6 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i0l h GLU 6 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1i0l h GLU 6 CO 0.00 0.02 -0.01 1.97 0.05 0.00 0.00 179.01 181.04 1i0l n PHE 7 N -3.19 0.00 -3.86 2.06 1.16 -1.26 -4.91 117.46 107.47 1i0l n PHE 7 Ca -0.01 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.22 1i0l n PHE 7 Cb 0.19 -0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.00 1i0l n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i0l s ALA 8 N -2.02 3.90 0.01 1.98 0.00 -0.74 -1.71 121.76 123.18 1i0l s ALA 8 Ca 0.37 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1i0l s ALA 8 Cb 0.21 -1.96 -0.26 0.00 0.00 0.00 0.00 23.12 21.11 1i0l s ALA 8 CO 0.34 0.67 0.86 1.49 0.00 0.00 0.00 175.76 179.13 1i0l h GLU 9 N 4.30 0.16 -1.62 0.00 4.81 -0.58 -3.44 114.58 118.21 1i0l h GLU 9 Ca -0.51 -0.28 0.27 0.00 -0.13 0.00 0.00 59.36 58.70 1i0l h GLU 9 Cb 1.21 0.10 -0.14 0.00 0.63 0.00 0.00 28.75 30.55 1i0l h GLU 9 CO 0.64 0.98 0.76 -1.59 -0.73 0.00 0.00 179.01 179.07 1i0l s LYS 10 N -2.63 0.48 -0.25 1.92 -2.85 -1.24 -4.99 119.74 110.19 1i0l s LYS 10 Ca -0.07 -0.23 -0.08 0.00 -1.00 0.00 0.00 55.97 54.58 1i0l s LYS 10 Cb 0.08 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 1i0l s LYS 10 CO 0.84 -0.22 0.11 0.42 0.10 0.00 0.00 175.35 176.60 1i0l s ILE 11 N -2.57 4.72 -0.10 3.79 1.01 -1.26 -0.57 121.20 126.22 1i0l s ILE 11 Ca 0.11 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.47 1i0l s ILE 11 Cb 0.02 -3.20 -0.28 0.00 0.01 0.00 0.00 42.46 39.00 1i0l s ILE 11 CO -0.04 0.34 0.78 -0.07 0.00 0.00 0.00 174.94 175.95 1i0l h LEU 12 N 7.97 0.21 -7.58 2.97 3.38 -0.78 -3.47 115.31 118.01 1i0l h LEU 12 Ca -0.37 -0.95 -0.25 0.00 0.09 0.00 0.00 57.88 56.40 1i0l h LEU 12 Cb 1.18 -0.07 -0.31 0.00 0.09 0.00 0.00 40.66 41.55 1i0l h LEU 12 CO 0.59 1.21 -0.68 -0.36 0.09 0.00 0.00 178.44 179.30 1i0l s PHE 13 N -2.32 -0.04 0.65 1.13 0.40 -1.05 -5.01 117.98 111.73 1i0l s PHE 13 Ca -0.17 0.19 -0.06 0.00 -0.60 0.00 0.00 56.93 56.29 1i0l s PHE 13 Cb -0.01 -0.10 0.04 0.00 0.51 0.00 0.00 43.02 43.47 1i0l s PHE 13 CO 0.75 -0.07 0.96 0.95 0.70 0.00 0.00 175.22 178.50 1i0l s THR 14 N 0.63 2.74 0.24 0.64 -4.23 -1.26 -1.15 115.64 113.25 1i0l s THR 14 Ca -0.05 -0.23 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1i0l s THR 14 Cb -0.07 -3.14 0.21 0.00 1.34 0.00 0.00 72.50 70.84 1i0l s THR 14 CO -0.02 -0.14 1.81 -0.08 -0.54 0.00 0.00 174.62 175.64 1i0l h GLU 15 N -0.40 0.76 -0.44 3.99 4.81 -1.95 -1.14 114.58 120.21 1i0l h GLU 15 Ca -0.44 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1i0l h GLU 15 Cb 1.30 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1i0l h GLU 15 CO 0.60 0.50 0.18 0.93 -0.73 0.00 0.00 179.01 180.48 1i0l h GLU 16 N 0.78 0.66 -0.42 1.92 5.08 -1.93 -0.93 114.58 119.74 1i0l h GLU 16 Ca 0.40 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1i0l h GLU 16 Cb 0.37 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1i0l h GLU 16 CO -0.25 0.61 0.24 1.05 -1.00 0.00 0.00 179.01 179.65 1i0l h GLU 17 N 0.57 0.58 -0.28 2.33 4.11 -1.70 -1.41 114.58 118.78 1i0l h GLU 17 Ca 0.15 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.52 1i0l h GLU 17 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1i0l h GLU 17 CO -0.01 0.45 0.18 0.82 0.07 0.00 0.00 179.01 180.52 1i0l h ILE 18 N 0.55 1.06 -0.40 -1.06 2.04 -1.13 -1.19 117.51 117.38 1i0l h ILE 18 Ca 0.15 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1i0l h ILE 18 Cb 0.03 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1i0l h ILE 18 CO -0.03 0.07 0.22 -0.09 0.00 0.00 0.00 178.15 178.32 1i0l h ARG 19 N 0.37 0.43 -0.45 2.37 2.43 -0.95 -0.33 114.38 118.24 1i0l h ARG 19 Ca 0.11 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1i0l h ARG 19 Cb -0.03 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1i0l h ARG 19 CO -0.03 0.28 0.23 1.15 -1.51 0.00 0.00 179.97 180.09 1i0l h THR 20 N 0.44 1.17 -0.51 0.20 2.02 -1.03 -1.76 112.91 113.44 1i0l h THR 20 Ca 0.17 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1i0l h THR 20 Cb 0.05 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1i0l h THR 20 CO -0.10 0.18 0.04 0.03 0.37 0.00 0.00 175.52 176.04 1i0l h ARG 21 N 0.58 0.87 -0.55 6.66 3.08 -1.01 -2.62 114.38 121.40 1i0l h ARG 21 Ca 0.16 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1i0l h ARG 21 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1i0l h ARG 21 CO -0.02 0.88 0.28 0.82 -1.07 0.00 0.00 179.97 180.86 1i0l h ILE 22 N 0.74 1.17 -0.39 2.04 2.04 -0.89 -1.33 117.51 120.89 1i0l h ILE 22 Ca 0.15 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1i0l h ILE 22 Cb 0.46 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1i0l h ILE 22 CO 0.02 0.20 -0.07 0.11 0.00 0.00 0.00 178.15 178.40 1i0l h LYS 23 N 0.76 0.66 -0.14 2.37 1.57 -1.01 -1.02 116.57 119.76 1i0l h LYS 23 Ca 0.19 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1i0l h LYS 23 Cb 0.05 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1i0l h LYS 23 CO -0.03 0.73 -0.09 1.05 -0.57 0.00 0.00 179.45 180.54 1i0l h GLU 24 N 0.61 0.31 -0.50 3.15 9.09 -0.93 -2.09 114.58 124.22 1i0l h GLU 24 Ca 0.11 -0.14 -0.03 0.00 0.05 0.00 0.00 59.36 59.35 1i0l h GLU 24 Cb 0.49 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 1i0l h GLU 24 CO 0.03 0.66 0.17 0.28 0.05 0.00 0.00 179.01 180.19 1i0l h VAL 25 N -0.04 1.20 -0.46 -1.06 2.07 -1.11 -1.69 116.25 115.15 1i0l h VAL 25 Ca 0.03 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.82 1i0l h VAL 25 Cb 0.57 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1i0l h VAL 25 CO 0.02 0.25 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1i0l h ALA 26 N 1.47 1.09 -0.34 1.67 0.00 -1.08 -0.38 119.26 121.69 1i0l h ALA 26 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1i0l h ALA 26 Cb 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1i0l h ALA 26 CO -0.01 0.57 0.16 1.57 0.00 0.00 0.00 179.25 181.54 1i0l h LYS 27 N 0.72 0.48 -0.03 0.00 -0.00 -0.61 -0.39 116.57 116.74 1i0l h LYS 27 Ca 0.14 -0.07 0.01 0.00 -0.00 0.00 0.00 60.65 60.72 1i0l h LYS 27 Cb 0.48 -0.09 -0.01 0.00 -0.00 0.00 0.00 32.23 32.62 1i0l h LYS 27 CO 0.02 0.44 -0.01 0.00 -0.00 0.00 0.00 179.45 179.90 1i0l h ARG 28 N 0.41 -0.01 -0.58 0.07 3.08 -0.92 -1.02 114.38 115.41 1i0l h ARG 28 Ca 0.12 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.25 1i0l h ARG 28 Cb 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 1i0l h ARG 28 CO -0.01 -0.01 0.24 0.82 -1.07 0.00 0.00 179.97 179.93 1i0l h ILE 29 N -0.01 0.82 -0.09 2.04 2.04 -0.96 0.12 117.51 121.47 1i0l h ILE 29 Ca 0.02 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1i0l h ILE 29 Cb 0.04 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1i0l h ILE 29 CO -0.04 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.20 1i0l h ALA 30 N 1.38 0.09 -0.16 1.87 0.00 -0.65 -1.48 119.26 120.31 1i0l h ALA 30 Ca 0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1i0l h ALA 30 Cb 0.31 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1i0l h ALA 30 CO -0.26 -0.46 0.10 -0.44 0.00 0.00 0.00 179.25 178.19 1i0l h ASP 31 N 0.04 0.18 -0.05 0.00 3.45 -0.66 -1.89 116.42 117.50 1i0l h ASP 31 Ca 0.04 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 1i0l h ASP 31 Cb 0.04 -0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1i0l h ASP 31 CO -0.07 0.15 0.03 0.44 -1.57 0.00 0.00 179.24 178.22 1i0l h ASP 32 N 0.20 0.08 0.03 6.45 5.19 -0.61 -2.75 116.42 125.01 1i0l h ASP 32 Ca 0.06 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1i0l h ASP 32 Cb -0.01 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1i0l h ASP 32 CO -0.01 0.07 -0.23 -1.22 -3.12 0.00 0.00 179.24 174.72 1i0l n TYR 33 N -4.51 0.00 -0.26 4.55 4.02 -0.57 -4.45 117.16 115.93 1i0l n TYR 33 Ca -0.02 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.91 1i0l n TYR 33 Cb 0.10 -0.02 0.18 0.00 -0.02 0.00 0.00 39.34 39.57 1i0l n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i0l h LYS 34 N 2.78 0.53 0.00 -0.72 1.57 -1.04 -0.29 116.57 119.41 1i0l h LYS 34 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1i0l h LYS 34 Cb 0.73 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1i0l h LYS 34 CO 0.00 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 1i0l n GLY 35 N -1.32 -1.03 0.11 3.86 0.00 -1.26 -2.27 105.19 103.28 1i0l n GLY 35 Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1i0l n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i0l h LYS 36 N 0.00 0.00 -5.63 1.61 1.79 -1.34 -3.48 116.57 109.52 1i0l h LYS 36 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 1i0l h LYS 36 Cb 0.22 0.00 0.17 0.00 -1.58 0.00 0.00 32.23 31.04 1i0l h LYS 36 CO 0.00 0.00 -0.79 0.41 -1.08 0.00 0.00 179.45 177.99 1i0l n GLY 37 N 1.29 -0.49 3.77 3.86 0.00 -0.96 -4.93 105.19 107.73 1i0l n GLY 37 Ca 0.05 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1i0l n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i0l s LEU 38 N -6.22 4.35 -0.05 0.99 1.43 -1.26 -4.91 118.68 113.01 1i0l s LEU 38 Ca 0.07 2.77 -0.06 0.00 -1.03 0.00 0.00 54.13 55.88 1i0l s LEU 38 Cb -0.01 -3.71 0.01 0.00 0.03 0.00 0.00 46.19 42.51 1i0l s LEU 38 CO 0.73 -0.69 0.17 -0.13 0.23 0.00 0.00 176.35 176.66 1i0l s ARG 39 N -1.97 0.27 0.73 1.70 0.52 0.33 -4.82 118.95 115.70 1i0l s ARG 39 Ca 0.52 0.11 -0.15 0.00 -0.52 0.00 0.00 55.73 55.69 1i0l s ARG 39 Cb -0.41 0.12 0.04 0.00 0.52 0.00 0.00 34.95 35.22 1i0l s ARG 39 CO 0.55 -0.04 1.21 -1.25 0.02 0.00 0.00 175.30 175.78 1i0l s PRO 40 N -0.22 2.15 0.00 3.54 0.04 -1.26 -0.47 135.00 138.77 1i0l s PRO 40 Ca -0.03 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1i0l s PRO 40 Cb -0.03 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1i0l s PRO 40 CO 0.01 -1.83 0.00 0.66 0.04 0.00 0.00 177.00 175.87 1i0l n TYR 41 N -2.69 0.00 0.01 0.56 4.02 -1.26 -4.18 117.16 113.62 1i0l n TYR 41 Ca 0.14 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 58.00 1i0l n TYR 41 Cb 0.50 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.71 1i0l n TYR 41 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i0l n VAL 42 N 0.00 1.31 -2.84 -0.72 0.24 -1.24 -4.72 118.33 110.36 1i0l n VAL 42 Ca 0.00 -0.73 -0.11 0.00 -2.04 0.00 0.00 64.34 61.46 1i0l n VAL 42 Cb 0.00 -0.81 0.04 0.00 -1.47 0.00 0.00 33.84 31.60 1i0l n VAL 42 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1i0l n ASN 43 N -2.92 0.01 -4.88 -1.34 5.15 0.38 -4.95 115.26 106.70 1i0l n ASN 43 Ca -0.13 -2.92 -0.30 0.00 -0.60 0.00 0.00 54.58 50.64 1i0l n ASN 43 Cb 0.92 0.14 0.00 0.00 -0.53 0.00 0.00 39.78 40.31 1i0l n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1i0l s PRO 44 N -1.73 3.59 -0.23 1.20 0.04 -0.59 -0.52 135.00 136.76 1i0l s PRO 44 Ca 0.29 0.53 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 1i0l s PRO 44 Cb 0.39 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1i0l s PRO 44 CO -0.04 -0.40 0.93 -1.17 0.04 0.00 0.00 177.00 176.36 1i0l s LEU 45 N -4.93 4.09 -0.31 -3.56 2.96 -0.22 -4.50 118.68 112.21 1i0l s LEU 45 Ca 0.52 1.20 -0.28 0.00 -0.22 0.00 0.00 54.13 55.35 1i0l s LEU 45 Cb -0.11 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.24 1i0l s LEU 45 CO 0.49 -0.58 1.00 -0.69 -1.32 0.00 0.00 176.35 175.25 1i0l s VAL 46 N 2.98 4.60 -0.29 1.68 1.01 -0.08 -1.21 120.40 129.09 1i0l s VAL 46 Ca 0.39 1.64 -0.14 0.00 0.00 0.00 0.00 61.98 63.87 1i0l s VAL 46 Cb -0.15 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1i0l s VAL 46 CO 0.07 -0.39 0.32 -0.76 0.00 0.00 0.00 175.10 174.34 1i0l s LEU 47 N 3.43 4.11 -0.54 3.92 1.43 0.20 -0.44 118.68 130.78 1i0l s LEU 47 Ca 0.42 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.46 1i0l s LEU 47 Cb -0.13 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.90 1i0l s LEU 47 CO 0.13 -0.17 0.51 -0.63 0.23 0.00 0.00 176.35 176.43 1i0l s ILE 48 N 1.97 5.18 -0.16 -0.59 1.01 -0.07 -0.66 121.20 127.88 1i0l s ILE 48 Ca 0.12 -1.45 -0.28 0.00 0.00 0.00 0.00 60.65 59.04 1i0l s ILE 48 Cb -0.16 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.95 1i0l s ILE 48 CO 0.11 -0.89 0.94 -0.55 0.00 0.00 0.00 174.94 174.55 1i0l s SER 49 N 3.59 7.10 -0.63 3.58 0.15 0.60 -0.98 113.70 127.10 1i0l s SER 49 Ca 0.04 1.36 -0.21 0.00 0.70 0.00 0.00 55.95 57.83 1i0l s SER 49 Cb -0.29 -2.51 0.08 0.00 -1.71 0.00 0.00 66.02 61.59 1i0l s SER 49 CO 0.03 -0.48 0.87 -0.69 1.20 0.00 0.00 173.24 174.18 1i0l s VAL 50 N 2.32 4.50 0.59 4.45 1.01 -0.92 -1.46 120.40 130.90 1i0l s VAL 50 Ca 0.43 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1i0l s VAL 50 Cb -0.17 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 1i0l s VAL 50 CO 0.13 -1.34 1.05 -0.76 0.00 0.00 0.00 175.10 174.19 1i0l s LEU 51 N 3.57 3.50 -0.01 3.92 1.43 -0.02 -1.83 118.68 129.24 1i0l s LEU 51 Ca 0.18 1.80 0.10 0.00 -1.03 0.00 0.00 54.13 55.19 1i0l s LEU 51 Cb -0.19 -4.53 -0.23 0.00 0.03 0.00 0.00 46.19 41.27 1i0l s LEU 51 CO 0.09 -1.14 0.81 0.11 0.23 0.00 0.00 176.35 176.45 1i0l h LYS 52 N 0.46 0.01 -1.10 1.70 1.57 -1.87 -3.10 116.57 114.24 1i0l h LYS 52 Ca -0.47 -0.02 0.30 0.00 -1.87 0.00 0.00 60.65 58.59 1i0l h LYS 52 Cb 1.22 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 1i0l h LYS 52 CO 0.58 0.64 0.75 0.78 -0.57 0.00 0.00 179.45 181.63 1i0l h GLY 53 N 3.28 0.68 0.86 3.86 0.00 -1.75 -2.19 103.07 107.81 1i0l h GLY 53 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1i0l h GLY 53 CO 0.09 -0.09 -0.06 -1.26 0.00 0.00 0.00 176.54 175.22 1i0l n SER 54 N -4.44 0.43 -0.26 0.19 2.88 -0.76 -4.37 113.62 107.29 1i0l n SER 54 Ca 0.26 -0.70 0.04 0.00 -1.33 0.00 0.00 58.87 57.14 1i0l n SER 54 Cb 1.05 -0.08 0.18 0.00 -0.75 0.00 0.00 64.21 64.61 1i0l n SER 54 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1i0l h PHE 55 N 0.57 0.61 0.02 0.66 -5.15 -1.64 0.13 116.94 112.15 1i0l h PHE 55 Ca 0.00 0.03 -0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1i0l h PHE 55 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 36.31 1i0l h PHE 55 CO 0.00 0.15 -0.01 1.98 -2.00 0.00 0.00 178.31 178.43 1i0l h MET 56 N 0.54 -0.03 -0.78 6.09 4.05 -1.84 -1.81 114.93 121.16 1i0l h MET 56 Ca 0.40 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.91 1i0l h MET 56 Cb 0.54 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.27 1i0l h MET 56 CO -0.35 0.59 0.43 0.35 0.23 0.00 0.00 176.91 178.17 1i0l h PHE 57 N -0.67 0.79 -0.49 1.39 3.57 -1.76 -1.68 116.94 118.08 1i0l h PHE 57 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1i0l h PHE 57 Cb 0.63 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1i0l h PHE 57 CO 0.14 0.33 0.26 1.15 -2.23 0.00 0.00 178.31 177.97 1i0l h THR 58 N 0.75 1.18 -0.63 4.41 2.02 -0.71 0.37 112.91 120.29 1i0l h THR 58 Ca 0.37 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1i0l h THR 58 Cb 0.33 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1i0l h THR 58 CO -0.24 0.19 0.41 0.00 0.37 0.00 0.00 175.52 176.25 1i0l h ALA 59 N 1.11 0.80 0.02 6.16 0.00 -0.72 -1.00 119.26 125.63 1i0l h ALA 59 Ca 0.17 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 1i0l h ALA 59 Cb 0.06 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1i0l h ALA 59 CO -0.03 0.24 -1.03 -0.44 0.00 0.00 0.00 179.25 177.99 1i0l h ASP 60 N 0.85 0.71 -0.25 0.00 3.32 -1.06 -3.23 116.42 116.76 1i0l h ASP 60 Ca 0.23 -0.59 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1i0l h ASP 60 Cb -0.08 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 1i0l h ASP 60 CO -0.05 1.39 0.01 0.25 -1.72 0.00 0.00 179.24 179.13 1i0l h LEU 61 N 0.29 0.42 -1.41 1.55 5.85 -0.11 -1.97 115.31 119.93 1i0l h LEU 61 Ca -0.11 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1i0l h LEU 61 Cb 1.68 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1i0l h LEU 61 CO 0.19 0.61 0.22 0.00 -0.34 0.00 0.00 178.44 179.12 1i0l h ARG 63 N 0.62 0.70 -0.70 0.00 3.08 -1.54 -0.80 114.38 115.74 1i0l h ARG 63 Ca 0.16 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.79 1i0l h ARG 63 Cb 0.06 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1i0l h ARG 63 CO -0.02 0.95 0.16 0.00 -1.07 0.00 0.00 179.97 179.99 1i0l h ALA 64 N 1.02 0.96 -0.60 0.04 0.00 -0.54 -2.03 119.26 118.11 1i0l h ALA 64 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1i0l h ALA 64 Cb 0.88 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1i0l h ALA 64 CO 0.08 0.67 0.00 -0.07 0.00 0.00 0.00 179.25 179.93 1i0l h LEU 65 N 1.06 1.02 -1.00 0.00 3.38 -0.63 -2.64 115.31 116.50 1i0l h LEU 65 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1i0l h LEU 65 Cb 0.39 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1i0l h LEU 65 CO 0.00 1.07 0.57 0.00 0.09 0.00 0.00 178.44 180.17 1i0l h ASP 67 N 1.28 0.00 -0.48 0.00 3.32 -1.00 0.18 116.42 119.71 1i0l h ASP 67 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1i0l h ASP 67 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1i0l h ASP 67 CO -0.06 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.95 1i0l n PHE 68 N -4.06 1.74 -2.69 4.55 3.01 -0.55 -4.95 117.46 114.51 1i0l n PHE 68 Ca -0.01 -0.77 -0.19 0.00 1.01 0.00 0.00 57.45 57.49 1i0l n PHE 68 Cb 0.20 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.22 1i0l n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i0l n ASN 69 N 0.30 -5.24 -4.57 4.37 3.02 0.61 -4.96 115.26 108.79 1i0l n ASN 69 Ca 0.26 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1i0l n ASN 69 Cb 1.11 -4.34 -0.08 0.00 -0.61 0.00 0.00 39.78 35.86 1i0l n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i0l s VAL 70 N -2.96 5.04 0.05 2.41 1.01 -0.39 -4.99 120.40 120.57 1i0l s VAL 70 Ca 0.13 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.21 1i0l s VAL 70 Cb -0.06 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1i0l s VAL 70 CO 0.16 -0.14 1.12 -2.16 0.00 0.00 0.00 175.10 174.07 1i0l s PRO 71 N 2.33 4.49 0.16 2.72 0.04 -1.26 -4.19 135.00 139.30 1i0l s PRO 71 Ca 0.18 1.65 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1i0l s PRO 71 Cb -0.16 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.96 1i0l s PRO 71 CO 0.12 -0.16 -0.14 0.14 0.04 0.00 0.00 177.00 177.01 1i0l s VAL 72 N 0.92 1.49 -0.08 -0.36 -7.23 -1.26 -1.05 120.40 112.83 1i0l s VAL 72 Ca 0.56 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1i0l s VAL 72 Cb -0.27 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1i0l s VAL 72 CO 0.29 -0.57 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.81 1i0l s ARG 73 N -3.35 1.59 -0.01 4.82 3.52 -0.35 -4.84 118.95 120.33 1i0l s ARG 73 Ca 0.17 -0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.28 1i0l s ARG 73 Cb -0.01 -1.42 -0.06 0.00 -1.56 0.00 0.00 34.95 31.90 1i0l s ARG 73 CO 0.04 -0.07 0.40 -1.64 -0.81 0.00 0.00 175.30 173.22 1i0l s MET 74 N 0.99 3.94 -0.02 5.12 -1.94 -1.26 -0.63 119.30 125.50 1i0l s MET 74 Ca -0.09 0.39 0.03 0.00 -1.71 0.00 0.00 55.69 54.31 1i0l s MET 74 Cb -0.15 -3.24 -0.00 0.00 2.01 0.00 0.00 34.83 33.45 1i0l s MET 74 CO -0.00 0.65 -0.10 -1.21 -0.01 0.00 0.00 175.02 174.35 1i0l s GLU 75 N -0.93 0.97 -0.09 2.03 0.41 0.16 -4.93 118.70 116.32 1i0l s GLU 75 Ca 0.23 -0.35 0.04 0.00 -0.41 0.00 0.00 54.97 54.49 1i0l s GLU 75 Cb -0.16 -0.91 -0.00 0.00 -1.78 0.00 0.00 34.13 31.27 1i0l s GLU 75 CO 0.13 0.16 -0.24 -0.06 -0.49 0.00 0.00 175.26 174.76 1i0l s PHE 76 N 0.02 2.54 0.27 1.61 0.40 -1.26 -0.29 117.98 121.27 1i0l s PHE 76 Ca -0.01 -0.96 0.07 0.00 -0.60 0.00 0.00 56.93 55.43 1i0l s PHE 76 Cb -0.07 -1.69 -0.06 0.00 0.51 0.00 0.00 43.02 41.71 1i0l s PHE 76 CO 0.00 -0.37 -0.07 0.96 0.70 0.00 0.00 175.22 176.44 1i0l s ILE 77 N 0.23 1.65 -0.09 0.64 -4.36 -0.53 -4.60 121.20 114.13 1i0l s ILE 77 Ca -0.15 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.11 1i0l s ILE 77 Cb -0.17 -2.38 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1i0l s ILE 77 CO 0.08 -0.35 -0.11 0.00 0.24 0.00 0.00 174.94 174.79 1i0l s VAL 79 N 1.09 0.79 0.00 0.00 1.01 -1.17 0.13 120.40 122.25 1i0l s VAL 79 Ca -0.06 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1i0l s VAL 79 Cb -0.14 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1i0l s VAL 79 CO -0.02 0.25 -0.21 -0.55 0.00 0.00 0.00 175.10 174.57 1i0l s SER 80 N 0.22 2.49 0.00 3.32 0.15 0.17 -4.56 113.70 115.49 1i0l s SER 80 Ca -0.04 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1i0l s SER 80 Cb -0.09 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1i0l s SER 80 CO 0.01 0.23 0.00 -0.24 1.20 0.00 0.00 173.24 174.44 1i0l n SER 81 N 2.36 0.00 0.05 5.45 2.88 -1.26 -0.64 113.62 122.45 1i0l n SER 81 Ca -0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.34 1i0l n SER 81 Cb 0.53 0.16 -0.09 0.00 -0.75 0.00 0.00 64.21 64.05 1i0l n SER 81 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1i0l h TYR 82 N 0.00 0.00 0.00 0.66 -1.99 -1.88 -2.67 116.97 111.09 1i0l h TYR 82 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i0l h TYR 82 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1i0l h TYR 82 CO 0.00 0.84 0.00 0.41 -0.00 0.00 0.00 178.16 179.41 1i0l n GLY 83 N 1.39 2.38 0.35 3.88 0.00 -1.26 -2.62 105.19 109.31 1i0l n GLY 83 Ca -0.06 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.67 1i0l n GLY 83 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i0l n GLU 84 N 13.37 1.05 -0.17 1.61 0.00 -1.26 -4.48 120.64 130.76 1i0l n GLU 84 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 57.16 56.45 1i0l n GLU 84 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 29.95 1i0l n GLU 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i0l n GLY 85 N 1.35 0.28 0.29 -1.84 0.00 -1.08 -3.40 105.19 100.80 1i0l n GLY 85 Ca 0.12 -1.83 0.04 0.00 0.00 0.00 0.00 46.02 44.36 1i0l n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i0l n LEU 86 N 0.00 1.47 -4.07 0.99 4.77 -1.26 -4.55 117.00 114.35 1i0l n LEU 86 Ca 0.00 -0.90 -0.12 0.00 -0.03 0.00 0.00 56.01 54.96 1i0l n LEU 86 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1i0l n LEU 86 CO 0.00 0.29 -0.40 0.42 -1.33 0.00 0.00 177.39 176.38 1i0l s THR 87 N -0.96 0.52 0.36 -5.08 -4.23 -1.26 -5.06 115.64 99.94 1i0l s THR 87 Ca 0.09 -1.15 -0.26 0.00 -1.18 0.00 0.00 61.69 59.19 1i0l s THR 87 Cb 0.07 -0.68 -0.12 0.00 1.34 0.00 0.00 72.50 73.11 1i0l s THR 87 CO 0.16 -0.44 1.08 -0.24 -0.54 0.00 0.00 174.62 174.64 1i0l n SER 88 N 1.33 1.65 0.18 3.99 2.88 -1.26 -4.63 113.62 117.76 1i0l n SER 88 Ca -0.22 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.54 1i0l n SER 88 Cb 0.55 -1.37 0.10 0.00 -0.75 0.00 0.00 64.21 62.75 1i0l n SER 88 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1i0l h SER 89 N 1.91 0.00 0.00 -3.46 4.64 -1.79 -3.47 113.55 111.38 1i0l h SER 89 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1i0l h SER 89 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1i0l h SER 89 CO 0.59 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 1i0l n GLY 90 N 1.15 1.19 3.22 -0.77 0.00 -1.26 -5.01 105.19 103.70 1i0l n GLY 90 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1i0l n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1i0l s GLN 91 N -0.41 2.61 -0.23 1.61 -2.07 -1.26 -5.11 119.66 114.80 1i0l s GLN 91 Ca 0.00 -0.83 -0.03 0.00 -1.82 0.00 0.00 55.36 52.67 1i0l s GLN 91 Cb 0.00 -2.10 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 1i0l s GLN 91 CO 0.00 0.27 -0.04 0.08 -1.32 0.00 0.00 175.29 174.27 1i0l s VAL 92 N 0.10 3.27 -0.20 3.63 1.01 -1.26 -4.35 120.40 122.61 1i0l s VAL 92 Ca -0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.18 1i0l s VAL 92 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1i0l s VAL 92 CO 0.06 0.36 0.09 0.00 0.00 0.00 0.00 175.10 175.61 1i0l s ARG 93 N 1.45 4.00 -0.52 2.72 1.70 0.19 -4.95 118.95 123.53 1i0l s ARG 93 Ca 0.05 -0.32 -0.19 0.00 -0.47 0.00 0.00 55.73 54.79 1i0l s ARG 93 Cb -0.15 -3.30 0.07 0.00 -0.57 0.00 0.00 34.95 31.00 1i0l s ARG 93 CO -0.04 0.22 0.65 1.41 -1.08 0.00 0.00 175.30 176.46 1i0l s MET 94 N 0.54 3.12 0.10 3.89 1.75 -1.26 -0.66 119.30 126.78 1i0l s MET 94 Ca 0.05 -0.94 0.20 0.00 -1.25 0.00 0.00 55.69 53.74 1i0l s MET 94 Cb -0.12 -4.13 -0.11 0.00 2.84 0.00 0.00 34.83 33.31 1i0l s MET 94 CO 0.01 -1.29 0.84 1.28 -0.65 0.00 0.00 175.02 175.21 1i0l n LEU 95 N 6.25 0.74 -3.66 4.11 4.77 0.12 -4.91 117.00 124.42 1i0l n LEU 95 Ca -0.07 0.31 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1i0l n LEU 95 Cb 0.45 0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.50 1i0l n LEU 95 CO 0.55 0.01 0.21 -0.22 -1.33 0.00 0.00 177.39 176.62 1i0l s LEU 96 N -5.48 -0.79 0.55 2.23 2.96 -1.03 -4.86 118.68 112.26 1i0l s LEU 96 Ca -0.03 1.33 0.08 0.00 -0.22 0.00 0.00 54.13 55.29 1i0l s LEU 96 Cb 0.09 1.99 0.06 0.00 0.50 0.00 0.00 46.19 48.84 1i0l s LEU 96 CO 0.81 -0.22 0.63 -0.62 -1.32 0.00 0.00 176.35 175.63 1i0l s ASP 97 N 2.09 4.98 0.71 3.68 -1.08 -1.26 -0.19 116.67 125.60 1i0l s ASP 97 Ca -0.07 -0.95 -0.16 0.00 -0.52 0.00 0.00 52.55 50.85 1i0l s ASP 97 Cb -0.09 0.24 0.03 0.00 -1.46 0.00 0.00 42.92 41.64 1i0l s ASP 97 CO -0.17 -1.20 1.22 0.42 0.52 0.00 0.00 175.17 175.96 1i0l s THR 98 N -2.67 2.26 0.01 1.71 -4.23 -1.26 -4.78 115.64 106.67 1i0l s THR 98 Ca 0.52 0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.98 1i0l s THR 98 Cb -0.05 -2.78 -0.29 0.00 1.34 0.00 0.00 72.50 70.72 1i0l s THR 98 CO 0.32 -0.06 1.03 0.08 -0.54 0.00 0.00 174.62 175.45 1i0l h ARG 99 N -0.12 0.48 -5.91 3.99 -0.00 -1.97 -3.47 114.38 107.37 1i0l h ARG 99 Ca -0.48 -0.68 -0.59 0.00 -0.00 0.00 0.00 59.98 58.23 1i0l h ARG 99 Cb 1.30 0.23 -0.11 0.00 -0.00 0.00 0.00 29.97 31.39 1i0l h ARG 99 CO 0.50 1.29 -0.60 -1.01 -0.00 0.00 0.00 179.97 180.16 1i0l s HIS 100 N -2.84 2.53 0.26 4.08 3.76 -1.26 -5.11 115.29 116.72 1i0l s HIS 100 Ca -0.11 -0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 53.98 1i0l s HIS 100 Cb 0.04 -1.62 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 1i0l s HIS 100 CO 0.88 0.43 1.16 0.45 -0.85 0.00 0.00 174.74 176.81 1i0l s SER 101 N -3.74 7.14 0.00 1.40 0.15 -1.26 -4.93 113.70 112.47 1i0l s SER 101 Ca 0.36 2.33 0.22 0.00 0.70 0.00 0.00 55.95 59.56 1i0l s SER 101 Cb 0.03 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.59 1i0l s SER 101 CO 0.19 -0.27 0.99 2.30 1.20 0.00 0.00 173.24 177.65 1i0l n ILE 102 N 1.46 0.00 -1.67 6.45 -5.35 -1.26 -4.93 119.36 114.06 1i0l n ILE 102 Ca 0.00 -0.09 -0.52 0.00 -0.27 0.00 0.00 62.75 61.87 1i0l n ILE 102 Cb 0.44 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.36 1i0l n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i0l n GLU 103 N -0.96 1.58 -0.90 6.28 2.13 -1.25 -0.16 120.64 127.36 1i0l n GLU 103 Ca 0.06 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.46 1i0l n GLU 103 Cb 0.38 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1i0l n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i0l n GLY 104 N 3.70 0.89 3.74 8.31 0.00 -0.42 -4.85 105.19 116.56 1i0l n GLY 104 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1i0l n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i0l s HIS 105 N -3.52 2.89 -0.17 1.61 3.76 0.78 -4.12 115.29 116.52 1i0l s HIS 105 Ca 0.00 -0.18 -0.23 0.00 -0.15 0.00 0.00 55.06 54.50 1i0l s HIS 105 Cb 0.00 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.33 1i0l s HIS 105 CO 0.00 0.54 0.72 -1.01 -0.85 0.00 0.00 174.74 174.15 1i0l s HIS 106 N -2.25 3.42 -0.03 1.40 3.76 -1.26 0.86 115.29 121.20 1i0l s HIS 106 Ca 0.33 1.10 0.07 0.00 -0.15 0.00 0.00 55.06 56.41 1i0l s HIS 106 Cb -0.07 -2.89 -0.02 0.00 1.11 0.00 0.00 32.58 30.72 1i0l s HIS 106 CO 0.23 -0.17 -0.24 0.08 -0.85 0.00 0.00 174.74 173.79 1i0l s VAL 107 N 1.89 1.89 -0.18 -0.90 1.01 -0.38 -0.90 120.40 122.82 1i0l s VAL 107 Ca 0.34 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1i0l s VAL 107 Cb -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1i0l s VAL 107 CO 0.12 0.53 -0.03 -0.22 0.00 0.00 0.00 175.10 175.50 1i0l s LEU 108 N -0.45 1.71 -0.05 3.92 2.96 0.42 -1.19 118.68 125.99 1i0l s LEU 108 Ca 0.06 -0.79 -0.29 0.00 -0.22 0.00 0.00 54.13 52.89 1i0l s LEU 108 Cb -0.10 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1i0l s LEU 108 CO 0.00 -0.22 0.97 -0.63 -1.32 0.00 0.00 176.35 175.15 1i0l s ILE 109 N 1.63 4.85 -0.23 6.68 1.01 -0.23 -0.89 121.20 134.03 1i0l s ILE 109 Ca -0.01 2.00 -0.05 0.00 0.00 0.00 0.00 60.65 62.59 1i0l s ILE 109 Cb -0.16 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.00 1i0l s ILE 109 CO -0.07 0.10 -0.02 -0.69 0.00 0.00 0.00 174.94 174.26 1i0l s VAL 110 N 1.40 3.56 0.07 2.92 1.01 -0.16 -1.18 120.40 128.03 1i0l s VAL 110 Ca 0.49 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.07 1i0l s VAL 110 Cb -0.20 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1i0l s VAL 110 CO 0.23 0.39 -0.14 -1.61 0.00 0.00 0.00 175.10 173.97 1i0l s GLU 111 N 1.50 0.83 0.06 2.72 0.41 -0.80 -2.17 118.70 121.25 1i0l s GLU 111 Ca 0.06 -0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 53.54 1i0l s GLU 111 Cb -0.15 -0.83 -0.31 0.00 -1.78 0.00 0.00 34.13 31.07 1i0l s GLU 111 CO -0.02 0.18 1.08 0.38 -0.49 0.00 0.00 175.26 176.40 1i0l h ASP 112 N 4.26 0.68 -4.79 -0.19 2.03 -1.87 -1.72 116.42 114.80 1i0l h ASP 112 Ca -0.41 -0.70 -0.09 0.00 -0.73 0.00 0.00 57.03 55.10 1i0l h ASP 112 Cb 1.19 -0.22 -0.20 0.00 -0.83 0.00 0.00 39.33 39.27 1i0l h ASP 112 CO 0.41 1.54 -0.06 -0.51 -1.03 0.00 0.00 179.24 179.59 1i0l s ILE 113 N -2.70 0.02 -0.13 4.15 2.07 -1.26 -0.73 121.20 122.62 1i0l s ILE 113 Ca -0.07 -0.20 0.01 0.00 -1.41 0.00 0.00 60.65 58.99 1i0l s ILE 113 Cb 0.06 -0.79 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1i0l s ILE 113 CO 0.92 -0.11 -0.16 0.54 -1.91 0.00 0.00 174.94 174.22 1i0l s VAL 114 N -0.97 1.62 0.00 4.00 0.11 -0.38 -4.96 120.40 119.83 1i0l s VAL 114 Ca -0.10 -0.69 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1i0l s VAL 114 Cb -0.03 -1.49 0.00 0.00 -1.53 0.00 0.00 36.38 33.33 1i0l s VAL 114 CO 0.06 0.47 0.00 -3.20 -3.33 0.00 0.00 175.10 169.10 1i0l n ASN 115 N 4.47 0.00 0.21 3.54 5.15 -1.26 -0.95 115.26 126.42 1i0l n ASN 115 Ca -0.18 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 53.94 1i0l n ASN 115 Cb 0.51 0.00 0.53 0.00 -0.53 0.00 0.00 39.78 40.29 1i0l n ASN 115 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1i0l h THR 116 N 0.00 0.00 -0.09 -0.44 1.35 -1.87 -2.81 112.91 109.05 1i0l h THR 116 Ca 0.00 -0.49 -0.04 0.00 -0.55 0.00 0.00 66.41 65.33 1i0l h THR 116 Cb 0.00 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 1i0l h THR 116 CO 0.00 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.24 1i0l n ALA 117 N -1.97 -0.03 0.02 6.62 0.00 -1.26 -0.86 120.51 123.04 1i0l n ALA 117 Ca 0.02 0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1i0l n ALA 117 Cb 0.33 -0.93 0.34 0.00 0.00 0.00 0.00 19.45 19.18 1i0l n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i0l h LEU 118 N 0.00 0.43 0.39 0.00 3.38 -1.90 -0.26 115.31 117.35 1i0l h LEU 118 Ca -0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1i0l h LEU 118 Cb 0.60 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1i0l h LEU 118 CO 0.06 0.48 -0.19 0.74 0.09 0.00 0.00 178.44 179.62 1i0l h THR 119 N 0.46 0.40 -0.48 0.22 2.02 -1.98 -2.18 112.91 111.37 1i0l h THR 119 Ca 0.10 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1i0l h THR 119 Cb 0.26 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1i0l h THR 119 CO 0.00 0.08 0.24 -0.07 0.37 0.00 0.00 175.52 176.15 1i0l h LEU 120 N -0.98 0.59 -0.47 2.58 3.38 -1.94 -0.28 115.31 118.18 1i0l h LEU 120 Ca -0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1i0l h LEU 120 Cb 0.54 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1i0l h LEU 120 CO 0.09 0.50 0.24 -1.13 0.09 0.00 0.00 178.44 178.23 1i0l h ASN 121 N 0.67 0.60 0.23 -0.43 -1.24 -1.08 0.42 115.58 114.74 1i0l h ASN 121 Ca 0.17 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 1i0l h ASN 121 Cb 0.06 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1i0l h ASN 121 CO -0.02 0.54 -0.11 0.22 -1.29 0.00 0.00 177.43 176.76 1i0l h TYR 122 N 0.62 -0.29 0.67 0.67 3.20 -0.69 -2.54 116.97 118.61 1i0l h TYR 122 Ca 0.16 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1i0l h TYR 122 Cb 0.08 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1i0l h TYR 122 CO -0.01 -0.15 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.94 1i0l h LEU 123 N -0.34 -0.82 -0.66 2.82 3.38 -0.77 -2.02 115.31 116.90 1i0l h LEU 123 Ca -0.03 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1i0l h LEU 123 Cb 0.26 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 1i0l h LEU 123 CO 0.05 -0.56 0.25 0.22 0.09 0.00 0.00 178.44 178.49 1i0l h TYR 124 N -0.92 0.43 -0.33 1.13 3.20 -0.25 -0.88 116.97 119.35 1i0l h TYR 124 Ca -0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1i0l h TYR 124 Cb 0.72 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1i0l h TYR 124 CO -0.04 0.08 0.18 0.45 -1.64 0.00 0.00 178.16 177.19 1i0l h HIS 125 N 0.42 0.46 0.26 -3.82 3.86 -1.37 0.19 115.15 115.14 1i0l h HIS 125 Ca 0.35 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1i0l h HIS 125 Cb 0.47 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 1i0l h HIS 125 CO -0.17 0.37 -0.23 1.98 0.86 0.00 0.00 177.93 180.74 1i0l h MET 126 N 0.41 -0.49 -0.02 2.45 1.85 -0.69 -3.02 114.93 115.42 1i0l h MET 126 Ca 0.12 0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.14 1i0l h MET 126 Cb 0.07 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 32.20 1i0l h MET 126 CO -0.02 -0.33 -0.44 1.88 -0.40 0.00 0.00 176.91 177.60 1i0l h TYR 127 N -0.51 0.04 -0.98 1.39 -1.99 -1.13 -3.14 116.97 110.65 1i0l h TYR 127 Ca -0.01 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.72 1i0l h TYR 127 Cb 0.46 -0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.13 1i0l h TYR 127 CO -0.14 0.48 0.65 0.35 -0.00 0.00 0.00 178.16 179.49 1i0l h PHE 128 N 0.03 1.23 0.00 4.88 3.57 -0.85 -0.99 116.94 124.80 1i0l h PHE 128 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1i0l h PHE 128 Cb 0.80 -0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1i0l h PHE 128 CO 0.00 0.77 0.00 0.25 -2.23 0.00 0.00 178.31 177.10 1i0l n THR 129 N -4.41 0.73 1.22 4.41 -2.24 -1.15 -2.44 114.28 110.41 1i0l n THR 129 Ca 0.12 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.18 1i0l n THR 129 Cb 0.02 -0.87 0.36 0.00 -2.10 0.00 0.00 70.33 67.73 1i0l n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i0l n ARG 130 N -1.48 1.71 -3.47 -0.78 1.74 -0.38 -4.97 116.66 109.04 1i0l n ARG 130 Ca 0.05 -1.08 -0.19 0.00 -0.77 0.00 0.00 57.85 55.86 1i0l n ARG 130 Cb 0.20 -1.38 0.07 0.00 -1.02 0.00 0.00 32.46 30.33 1i0l n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i0l n ARG 131 N 0.31 -4.36 -1.34 5.56 -4.01 -1.02 -3.83 116.66 107.97 1i0l n ARG 131 Ca 0.16 0.76 -0.30 0.00 -1.04 0.00 0.00 57.85 57.42 1i0l n ARG 131 Cb 0.32 -5.51 0.11 0.00 -3.04 0.00 0.00 32.46 24.34 1i0l n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1i0l s PRO 132 N -5.29 1.78 0.29 2.89 0.04 -1.26 -1.29 135.00 132.16 1i0l s PRO 132 Ca 0.18 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.04 1i0l s PRO 132 Cb -0.03 -1.87 0.42 0.00 0.04 0.00 0.00 34.50 33.05 1i0l s PRO 132 CO 0.77 -1.88 1.92 0.00 0.04 0.00 0.00 177.00 177.85 1i0l h ALA 133 N -1.29 1.34 -2.62 8.56 0.00 0.31 -3.42 119.26 122.15 1i0l h ALA 133 Ca -0.47 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 1i0l h ALA 133 Cb 1.27 -0.30 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1i0l h ALA 133 CO 0.56 0.55 0.12 -1.54 0.00 0.00 0.00 179.25 178.94 1i0l s SER 134 N -6.37 -0.51 -0.14 0.00 1.04 -1.16 -4.94 113.70 101.62 1i0l s SER 134 Ca -0.11 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 1i0l s SER 134 Cb 0.17 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.89 1i0l s SER 134 CO 0.80 -0.81 0.14 -0.22 0.98 0.00 0.00 173.24 174.14 1i0l s LEU 135 N -2.19 0.06 0.46 2.42 2.96 -1.26 -1.25 118.68 119.89 1i0l s LEU 135 Ca -0.03 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1i0l s LEU 135 Cb -0.00 0.10 -0.02 0.00 0.50 0.00 0.00 46.19 46.77 1i0l s LEU 135 CO -0.05 -0.30 0.06 -0.54 -1.32 0.00 0.00 176.35 174.20 1i0l s LYS 136 N 2.24 2.07 -0.01 1.98 3.01 -0.33 -5.02 119.74 123.68 1i0l s LYS 136 Ca 0.04 -2.30 -0.03 0.00 -1.01 0.00 0.00 55.97 52.68 1i0l s LYS 136 Cb -0.14 -1.12 0.00 0.00 -1.01 0.00 0.00 37.83 35.56 1i0l s LYS 136 CO -0.08 -0.41 0.06 0.99 0.51 0.00 0.00 175.35 176.42 1i0l s THR 137 N -3.02 0.03 -0.07 2.17 2.01 -1.26 -1.06 115.64 114.44 1i0l s THR 137 Ca 0.14 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1i0l s THR 137 Cb 0.02 -0.18 0.02 0.00 0.01 0.00 0.00 72.50 72.37 1i0l s THR 137 CO 0.08 -0.14 -0.06 0.54 -0.69 0.00 0.00 174.62 174.35 1i0l s VAL 138 N -0.43 0.75 0.02 3.82 0.11 -0.33 -1.36 120.40 122.99 1i0l s VAL 138 Ca -0.05 -0.20 0.09 0.00 -2.93 0.00 0.00 61.98 58.89 1i0l s VAL 138 Cb -0.03 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1i0l s VAL 138 CO 0.00 0.29 -0.26 0.68 -3.33 0.00 0.00 175.10 172.48 1i0l s VAL 139 N 1.18 2.07 -0.04 2.04 -7.23 -0.17 -1.90 120.40 116.35 1i0l s VAL 139 Ca -0.06 -1.28 -0.24 0.00 -1.81 0.00 0.00 61.98 58.59 1i0l s VAL 139 Cb -0.14 -1.75 -0.18 0.00 0.56 0.00 0.00 36.38 34.87 1i0l s VAL 139 CO -0.02 0.42 1.05 0.25 -0.31 0.00 0.00 175.10 176.49 1i0l h LEU 140 N 5.03 -0.15 -8.51 1.32 5.85 -1.21 -1.63 115.31 116.01 1i0l h LEU 140 Ca -0.45 -0.39 -0.68 0.00 0.84 0.00 0.00 57.88 57.20 1i0l h LEU 140 Cb 1.14 0.04 -0.31 0.00 0.37 0.00 0.00 40.66 41.90 1i0l h LEU 140 CO 0.45 0.38 -0.88 -0.76 -0.34 0.00 0.00 178.44 177.28 1i0l s LEU 141 N -9.11 2.05 -0.13 2.25 1.43 0.09 -0.90 118.68 114.36 1i0l s LEU 141 Ca -0.14 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1i0l s LEU 141 Cb 0.01 -1.31 0.01 0.00 0.03 0.00 0.00 46.19 44.93 1i0l s LEU 141 CO 0.56 0.27 -0.19 -0.62 0.23 0.00 0.00 176.35 176.59 1i0l s ASP 142 N -0.34 2.87 -1.05 2.29 -1.08 0.43 -1.25 116.67 118.54 1i0l s ASP 142 Ca 0.02 -0.54 -0.06 0.00 -0.52 0.00 0.00 52.55 51.45 1i0l s ASP 142 Cb -0.12 -1.31 0.28 0.00 -1.46 0.00 0.00 42.92 40.31 1i0l s ASP 142 CO 0.02 0.04 1.17 0.29 0.52 0.00 0.00 175.17 177.20 1i0l n LYS 143 N 4.22 3.66 -0.07 4.34 5.02 -0.12 -1.08 118.16 134.13 1i0l n LYS 143 Ca -0.19 -4.51 0.25 0.00 -2.02 0.00 0.00 58.31 51.84 1i0l n LYS 143 Cb 0.51 -2.50 0.69 0.00 -0.02 0.00 0.00 35.03 33.71 1i0l n LYS 143 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1i0l h ARG 144 N 6.03 0.00 0.00 1.97 -0.00 -1.81 -2.12 114.38 118.45 1i0l h ARG 144 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.16 1i0l h ARG 144 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.74 1i0l h ARG 144 CO 1.09 0.00 -1.08 -0.85 -0.00 0.00 0.00 179.97 179.12 1i0l n GLU 145 N -3.75 0.08 0.00 0.08 -0.00 -1.26 -4.22 120.64 111.57 1i0l n GLU 145 Ca 0.15 -0.02 0.10 0.00 -0.00 0.00 0.00 57.16 57.39 1i0l n GLU 145 Cb 0.95 -1.50 0.54 0.00 -0.00 0.00 0.00 31.44 31.42 1i0l n GLU 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1i0l n GLY 146 N 1.47 -0.79 3.57 -1.84 0.00 -0.80 -4.90 105.19 101.90 1i0l n GLY 146 Ca 0.03 -0.11 -0.48 0.00 0.00 0.00 0.00 46.02 45.46 1i0l n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i0l n ARG 147 N -1.15 1.10 -0.04 1.61 5.12 -1.06 -3.87 116.66 118.37 1i0l n ARG 147 Ca 0.12 0.39 -0.04 0.00 -1.93 0.00 0.00 57.85 56.39 1i0l n ARG 147 Cb 0.11 -1.83 -0.07 0.00 -1.16 0.00 0.00 32.46 29.51 1i0l n ARG 147 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1i0l n ARG 148 N 1.49 2.42 -4.16 5.56 3.00 -0.04 -4.94 116.66 119.98 1i0l n ARG 148 Ca 0.14 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.85 57.82 1i0l n ARG 148 Cb 0.26 -1.23 -0.12 0.00 0.00 0.00 0.00 32.46 31.36 1i0l n ARG 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1i0l s VAL 149 N -2.24 0.87 0.16 5.15 -7.23 -1.10 -5.08 120.40 110.94 1i0l s VAL 149 Ca -0.04 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.71 1i0l s VAL 149 Cb 0.03 -0.86 -0.08 0.00 0.56 0.00 0.00 36.38 36.04 1i0l s VAL 149 CO 0.38 -0.22 1.19 -2.16 -0.31 0.00 0.00 175.10 173.98 1i0l s PRO 150 N -1.49 4.49 -0.21 4.82 0.04 -1.26 -4.73 135.00 136.66 1i0l s PRO 150 Ca -0.04 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1i0l s PRO 150 Cb -0.09 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.26 1i0l s PRO 150 CO 0.01 -0.11 0.51 0.12 0.04 0.00 0.00 177.00 177.57 1i0l s PHE 151 N 0.15 -0.79 -0.24 0.56 5.36 -1.26 -4.99 117.98 116.77 1i0l s PHE 151 Ca 0.54 1.61 0.02 0.00 -0.96 0.00 0.00 56.93 58.14 1i0l s PHE 151 Cb -0.32 0.41 0.05 0.00 -0.34 0.00 0.00 43.02 42.82 1i0l s PHE 151 CO 0.35 -0.42 -0.10 0.45 -1.46 0.00 0.00 175.22 174.03 1i0l s SER 152 N 1.62 4.01 0.51 6.13 0.15 -1.26 -5.10 113.70 119.75 1i0l s SER 152 Ca -0.09 -1.19 -0.20 0.00 0.70 0.00 0.00 55.95 55.17 1i0l s SER 152 Cb -0.08 -1.40 -0.07 0.00 -1.71 0.00 0.00 66.02 62.76 1i0l s SER 152 CO -0.15 -0.18 1.05 0.00 1.20 0.00 0.00 173.24 175.16 1i0l s ALA 153 N 1.24 2.83 0.21 5.45 0.00 -1.26 -4.96 121.76 125.26 1i0l s ALA 153 Ca -0.06 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.57 1i0l s ALA 153 Cb -0.18 -3.26 0.13 0.00 0.00 0.00 0.00 23.12 19.80 1i0l s ALA 153 CO -0.07 -0.44 1.47 -0.44 0.00 0.00 0.00 175.76 176.29 1i0l h ASP 154 N 1.36 0.15 -3.56 0.00 3.32 -1.81 -3.44 116.42 112.43 1i0l h ASP 154 Ca -0.49 -0.11 -0.37 0.00 0.02 0.00 0.00 57.03 56.09 1i0l h ASP 154 Cb 1.23 -0.04 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1i0l h ASP 154 CO 0.58 0.85 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.88 1i0l s TYR 155 N -3.37 0.53 -0.08 4.55 1.51 -0.46 -5.01 117.35 115.01 1i0l s TYR 155 Ca -0.02 -0.10 0.01 0.00 -1.01 0.00 0.00 57.07 55.94 1i0l s TYR 155 Cb 0.11 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1i0l s TYR 155 CO 0.80 -0.13 -0.08 0.08 -1.11 0.00 0.00 175.55 175.11 1i0l s VAL 156 N 0.74 0.93 0.03 0.71 1.01 -1.26 -1.00 120.40 121.56 1i0l s VAL 156 Ca -0.09 -0.29 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 1i0l s VAL 156 Cb -0.12 -0.93 -0.28 0.00 0.00 0.00 0.00 36.38 35.05 1i0l s VAL 156 CO -0.01 0.33 1.08 0.58 0.00 0.00 0.00 175.10 177.09 1i0l h VAL 157 N 6.12 1.33 -2.55 2.92 2.07 -1.16 -3.48 116.25 121.50 1i0l h VAL 157 Ca -0.31 -2.40 -0.09 0.00 0.82 0.00 0.00 66.70 64.72 1i0l h VAL 157 Cb 1.15 2.73 -0.21 0.00 -1.52 0.00 0.00 31.29 33.44 1i0l h VAL 157 CO 0.43 0.72 -0.10 0.00 0.02 0.00 0.00 177.57 178.64 1i0l s ALA 158 N -2.96 -1.23 -0.09 1.67 0.00 -0.08 -5.02 121.76 114.04 1i0l s ALA 158 Ca -0.11 1.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1i0l s ALA 158 Cb 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.74 1i0l s ALA 158 CO 0.90 -0.27 0.25 -0.80 0.00 0.00 0.00 175.76 175.84 1i0l s ASN 159 N -0.52 6.52 0.08 0.00 0.02 -1.26 -0.43 114.94 119.35 1i0l s ASN 159 Ca -0.06 0.62 0.04 0.00 -1.02 0.00 0.00 52.86 52.43 1i0l s ASN 159 Cb -0.03 -2.15 -0.03 0.00 0.02 0.00 0.00 41.25 39.06 1i0l s ASN 159 CO 0.04 0.31 -0.10 0.27 0.02 0.00 0.00 177.10 177.64 1i0l s ILE 160 N -0.69 0.88 0.82 0.60 -4.36 -0.24 -4.89 121.20 113.33 1i0l s ILE 160 Ca 0.18 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 1i0l s ILE 160 Cb -0.14 -1.15 0.09 0.00 1.25 0.00 0.00 42.46 42.51 1i0l s ILE 160 CO 0.07 -0.46 1.12 -2.16 0.24 0.00 0.00 174.94 173.75 1i0l s PRO 161 N -2.35 1.87 -0.59 0.37 0.04 -1.26 -4.38 135.00 128.69 1i0l s PRO 161 Ca 0.01 0.40 -0.28 0.00 0.04 0.00 0.00 61.00 61.17 1i0l s PRO 161 Cb -0.06 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.60 1i0l s PRO 161 CO 0.00 -1.72 1.24 -0.80 0.04 0.00 0.00 177.00 175.77 1i0l s ASN 162 N -4.13 6.36 -0.01 6.66 -0.87 -1.26 -4.90 114.94 116.79 1i0l s ASN 162 Ca 0.62 0.10 -0.29 0.00 -1.57 0.00 0.00 52.86 51.71 1i0l s ASN 162 Cb -0.13 -2.55 0.08 0.00 -0.02 0.00 0.00 41.25 38.62 1i0l s ASN 162 CO 0.53 -1.56 0.69 0.00 -2.57 0.00 0.00 177.10 174.19 1i0l s ALA 163 N 5.24 -1.74 -0.36 0.60 0.00 -1.26 -5.12 121.76 119.12 1i0l s ALA 163 Ca 0.44 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.24 1i0l s ALA 163 Cb -0.08 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1i0l s ALA 163 CO 0.24 -0.47 1.09 0.12 0.00 0.00 0.00 175.76 176.74 1i0l s PHE 164 N -1.86 3.07 0.04 0.00 5.36 -1.26 -5.01 117.98 118.31 1i0l s PHE 164 Ca -0.07 1.09 -0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1i0l s PHE 164 Cb -0.00 -3.86 -0.04 0.00 -0.34 0.00 0.00 43.02 38.77 1i0l s PHE 164 CO 0.03 -0.88 0.16 0.14 -1.46 0.00 0.00 175.22 173.21 1i0l s VAL 165 N 3.84 5.13 0.12 3.12 -7.23 -1.26 -1.62 120.40 122.51 1i0l s VAL 165 Ca 0.46 -0.41 -0.02 0.00 -1.81 0.00 0.00 61.98 60.20 1i0l s VAL 165 Cb -0.11 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1i0l s VAL 165 CO 0.19 0.22 0.08 0.27 -0.31 0.00 0.00 175.10 175.54 1i0l s ILE 166 N -1.39 0.11 0.00 -0.62 -4.36 0.23 -4.62 121.20 110.56 1i0l s ILE 166 Ca 0.30 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.87 1i0l s ILE 166 Cb -0.13 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.65 1i0l s ILE 166 CO 0.22 -0.52 0.00 0.61 0.24 0.00 0.00 174.94 175.49 1i0l n GLY 167 N -0.08 2.31 3.85 6.27 0.00 -0.07 -0.90 105.19 116.56 1i0l n GLY 167 Ca -0.07 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.79 1i0l n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i0l n TYR 168 N 1.80 -1.98 0.00 1.61 9.36 -0.36 -1.60 117.16 125.99 1i0l n TYR 168 Ca 0.00 0.84 0.00 0.00 3.32 0.00 0.00 57.90 62.06 1i0l n TYR 168 Cb 0.00 -4.06 0.00 0.00 -0.63 0.00 0.00 39.34 34.65 1i0l n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i0l n GLY 169 N -1.68 2.99 3.73 2.98 0.00 0.62 -4.54 105.19 109.29 1i0l n GLY 169 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1i0l n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i0l s LEU 170 N 0.00 4.50 0.34 0.99 1.43 -0.63 -4.32 118.68 120.99 1i0l s LEU 170 Ca 0.00 1.89 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 1i0l s LEU 170 Cb 0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1i0l s LEU 170 CO 0.00 -0.12 -0.02 1.51 0.23 0.00 0.00 176.35 177.95 1i0l s ASP 171 N -0.04 3.20 -0.20 2.29 -4.77 -1.26 -0.89 116.67 115.00 1i0l s ASP 171 Ca 0.48 -1.28 -0.02 0.00 -3.30 0.00 0.00 52.55 48.42 1i0l s ASP 171 Cb -0.25 -0.25 0.06 0.00 -1.09 0.00 0.00 42.92 41.38 1i0l s ASP 171 CO 0.31 -0.40 0.02 -0.47 0.70 0.00 0.00 175.17 175.33 1i0l s TYR 172 N -2.90 1.28 -1.28 2.11 5.04 -0.86 -4.79 117.35 115.94 1i0l s TYR 172 Ca 0.33 -1.02 -0.04 0.00 -2.44 0.00 0.00 57.07 53.90 1i0l s TYR 172 Cb 0.06 -1.13 0.01 0.00 0.35 0.00 0.00 41.96 41.25 1i0l s TYR 172 CO 0.15 -0.64 1.03 -3.47 -1.34 0.00 0.00 175.55 171.28 1i0l n ASP 173 N 4.98 -3.45 -3.84 4.32 2.03 -1.22 -2.27 116.55 117.09 1i0l n ASP 173 Ca -0.09 -0.63 -0.30 0.00 0.52 0.00 0.00 54.79 54.29 1i0l n ASP 173 Cb 0.47 -4.91 -0.01 0.00 -0.72 0.00 0.00 41.12 35.94 1i0l n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i0l n ASP 174 N -3.07 -3.50 -4.20 1.67 9.92 -1.26 -4.97 116.55 111.13 1i0l n ASP 174 Ca -0.18 -0.73 -0.20 0.00 -0.53 0.00 0.00 54.79 53.15 1i0l n ASP 174 Cb 0.63 -2.88 -0.12 0.00 -0.64 0.00 0.00 41.12 38.11 1i0l n ASP 174 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i0l s THR 175 N -3.11 1.29 0.00 -3.53 2.01 -0.96 -4.81 115.64 106.53 1i0l s THR 175 Ca 0.60 -1.32 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1i0l s THR 175 Cb -0.32 -1.20 0.00 0.00 0.01 0.00 0.00 72.50 70.99 1i0l s THR 175 CO 0.74 -0.13 0.00 -1.22 -0.69 0.00 0.00 174.62 173.32 1i0l n TYR 176 N 1.35 0.00 0.28 4.92 4.02 -1.26 -2.03 117.16 124.43 1i0l n TYR 176 Ca -0.20 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 57.85 1i0l n TYR 176 Cb 0.54 -0.11 0.74 0.00 -0.02 0.00 0.00 39.34 40.49 1i0l n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i0l h ARG 177 N 1.30 0.00 0.00 -0.72 3.08 -1.85 -2.78 114.38 113.41 1i0l h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i0l h ARG 177 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1i0l h ARG 177 CO 0.00 0.05 -0.13 -0.85 -1.07 0.00 0.00 179.97 177.97 1i0l n GLU 178 N -3.21 0.00 -1.83 0.04 0.00 -1.26 -0.27 120.64 114.11 1i0l n GLU 178 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1i0l n GLU 178 Cb 0.28 -1.50 0.04 0.00 0.00 0.00 0.00 31.44 30.26 1i0l n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i0l s LEU 179 N -3.01 3.77 0.37 -1.84 1.43 -1.20 -4.81 118.68 113.39 1i0l s LEU 179 Ca 0.13 2.66 0.20 0.00 -1.03 0.00 0.00 54.13 56.09 1i0l s LEU 179 Cb 0.19 -4.40 0.26 0.00 0.03 0.00 0.00 46.19 42.26 1i0l s LEU 179 CO 0.58 -1.65 1.55 0.03 0.23 0.00 0.00 176.35 177.09 1i0l h ARG 180 N 1.19 0.00 -6.13 1.70 3.08 -1.94 -0.95 114.38 111.33 1i0l h ARG 180 Ca -0.51 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.00 1i0l h ARG 180 Cb 1.31 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.28 1i0l h ARG 180 CO 0.56 0.23 -0.56 -0.51 -1.07 0.00 0.00 179.97 178.62 1i0l s ASP 181 N -6.31 4.73 -0.25 7.04 1.01 -1.26 -3.64 116.67 117.99 1i0l s ASP 181 Ca 0.05 -0.69 -0.09 0.00 0.71 0.00 0.00 52.55 52.54 1i0l s ASP 181 Cb 0.06 -0.82 -0.04 0.00 1.01 0.00 0.00 42.92 43.14 1i0l s ASP 181 CO 0.70 -0.20 0.11 -0.63 0.21 0.00 0.00 175.17 175.36 1i0l s ILE 182 N -2.37 4.70 0.23 0.77 1.01 -0.30 -3.66 121.20 121.57 1i0l s ILE 182 Ca 0.36 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 61.03 1i0l s ILE 182 Cb -0.04 -3.21 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 1i0l s ILE 182 CO 0.22 0.32 -0.07 0.68 0.00 0.00 0.00 174.94 176.09 1i0l s VAL 183 N 1.53 1.45 -0.21 2.92 -7.23 -0.07 -0.02 120.40 118.77 1i0l s VAL 183 Ca 0.06 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 57.97 1i0l s VAL 183 Cb -0.15 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1i0l s VAL 183 CO 0.06 -0.45 0.35 -0.69 -0.31 0.00 0.00 175.10 174.06 1i0l s VAL 184 N -3.15 5.23 0.08 1.32 1.01 0.27 -0.60 120.40 124.57 1i0l s VAL 184 Ca 0.25 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.53 1i0l s VAL 184 Cb 0.03 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.67 1i0l s VAL 184 CO 0.08 0.27 1.10 -0.22 0.00 0.00 0.00 175.10 176.33 1i0l s LEU 185 N 1.28 4.41 0.25 3.92 2.96 -0.64 0.14 118.68 131.01 1i0l s LEU 185 Ca 0.17 1.93 -0.30 0.00 -0.22 0.00 0.00 54.13 55.71 1i0l s LEU 185 Cb -0.14 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 1i0l s LEU 185 CO 0.07 -0.32 1.39 -0.13 -1.32 0.00 0.00 176.35 176.05 1i0l s ARG 186 N 0.57 4.31 0.42 1.98 0.52 -0.69 -4.72 118.95 121.33 1i0l s ARG 186 Ca 0.53 2.24 0.11 0.00 -0.52 0.00 0.00 55.73 58.09 1i0l s ARG 186 Cb -0.27 -3.12 0.90 0.00 0.52 0.00 0.00 34.95 32.98 1i0l s ARG 186 CO 0.30 -0.35 1.98 -1.35 0.02 0.00 0.00 175.30 175.91 1i0l h PRO 187 N 4.79 0.21 -0.93 3.54 0.11 -1.94 -2.42 132.00 135.36 1i0l h PRO 187 Ca -0.46 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.64 1i0l h PRO 187 Cb 1.22 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1i0l h PRO 187 CO 0.75 0.29 0.61 0.93 -0.21 0.00 0.00 178.00 180.38 1i0l h GLU 188 N 0.21 1.16 -0.03 1.05 5.08 -1.98 0.17 114.58 120.25 1i0l h GLU 188 Ca 0.05 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1i0l h GLU 188 Cb 0.24 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1i0l h GLU 188 CO 0.01 0.77 -0.02 0.28 -1.00 0.00 0.00 179.01 179.04 1i0l h VAL 189 N 1.19 1.37 0.00 3.13 2.07 -1.80 -2.40 116.25 119.81 1i0l h VAL 189 Ca 0.36 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1i0l h VAL 189 Cb -0.03 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1i0l h VAL 189 CO -0.10 0.30 -0.41 0.10 0.02 0.00 0.00 177.57 177.48 1i0l h TYR 190 N -0.38 0.00 -0.41 1.57 -0.00 -1.29 -2.54 116.97 113.92 1i0l h TYR 190 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.59 1i0l h TYR 190 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.22 1i0l h TYR 190 CO 0.09 0.41 -0.31 0.00 -0.00 0.00 0.00 178.16 178.35 1i0l h ALA 191 N 1.59 0.67 -0.58 0.10 0.00 -0.66 0.27 119.26 120.65 1i0l h ALA 191 Ca -0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.37 1i0l h ALA 191 Cb 0.96 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1i0l h ALA 191 CO 0.05 0.67 -0.06 1.49 0.00 0.00 0.00 179.25 181.40 1i0l h GLU 192 N 0.76 1.06 0.04 0.00 4.81 -1.35 -1.21 114.58 118.69 1i0l h GLU 192 Ca 0.08 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1i0l h GLU 192 Cb 0.89 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1i0l h GLU 192 CO 0.08 1.07 -0.02 0.00 -0.73 0.00 0.00 179.01 179.41 1i0l h ARG 193 N 0.95 -0.06 -0.70 1.92 3.08 -1.16 -1.87 114.38 116.53 1i0l h ARG 193 Ca 0.16 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.33 1i0l h ARG 193 Cb 0.63 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.61 1i0l h ARG 193 CO 0.04 0.28 0.27 0.93 -1.07 0.00 0.00 179.97 180.42 1i0l h GLU 194 N -0.39 0.42 -0.43 0.04 4.39 -0.41 0.31 114.58 118.50 1i0l h GLU 194 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1i0l h GLU 194 Cb 0.36 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1i0l h GLU 194 CO 0.01 0.28 0.27 0.00 -1.16 0.00 0.00 179.01 178.41 1i0l h ALA 195 N 1.50 0.54 -0.33 3.43 0.00 -1.10 0.24 119.26 123.53 1i0l h ALA 195 Ca 0.37 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1i0l h ALA 195 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1i0l h ALA 195 CO -0.37 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 178.83 1i0l h ALA 196 N 1.14 1.28 0.25 0.00 0.00 -0.31 -3.26 119.26 118.36 1i0l h ALA 196 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i0l h ALA 196 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i0l h ALA 196 CO -0.03 0.48 -0.12 0.07 0.00 0.00 0.00 179.25 179.65 1i0l h ARG 197 N 0.51 -0.32 -0.02 0.00 0.11 0.25 -3.51 114.38 111.40 1i0l h ARG 197 Ca 0.10 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1i0l h ARG 197 Cb 0.42 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1i0l h ARG 197 CO 0.02 -0.07 0.00 0.41 0.10 0.00 0.00 179.97 180.43