#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i0i h GLU 6 N 0.00 0.49 -0.00 -0.72 4.81 -2.04 -2.72 114.58 114.40 1i0i h GLU 6 Ca 0.00 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1i0i h GLU 6 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1i0i h GLU 6 CO 0.00 0.63 -0.00 1.97 -0.73 0.00 0.00 179.01 180.87 1i0i n PHE 7 N -4.19 0.00 -3.58 0.92 1.16 -1.26 -4.83 117.46 105.68 1i0i n PHE 7 Ca 0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.22 1i0i n PHE 7 Cb 0.34 -0.30 -0.07 0.00 -1.61 0.00 0.00 39.48 37.84 1i0i n PHE 7 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1i0i s ALA 8 N -2.60 3.65 0.18 1.98 0.00 -1.03 -0.86 121.76 123.09 1i0i s ALA 8 Ca 0.27 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.84 1i0i s ALA 8 Cb 0.20 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 21.03 1i0i s ALA 8 CO 0.47 0.25 1.41 1.49 0.00 0.00 0.00 175.76 179.37 1i0i h GLU 9 N 6.03 0.16 -1.36 0.00 4.81 -0.42 -3.45 114.58 120.35 1i0i h GLU 9 Ca -0.45 -0.17 0.28 0.00 -0.13 0.00 0.00 59.36 58.89 1i0i h GLU 9 Cb 1.18 0.05 -0.18 0.00 0.63 0.00 0.00 28.75 30.43 1i0i h GLU 9 CO 0.70 0.90 0.86 -1.59 -0.73 0.00 0.00 179.01 179.15 1i0i s LYS 10 N -3.26 0.24 -0.23 1.92 -2.85 -1.24 -5.00 119.74 109.32 1i0i s LYS 10 Ca -0.02 -0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 54.72 1i0i s LYS 10 Cb 0.11 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 1i0i s LYS 10 CO 0.82 -0.11 0.28 0.42 0.10 0.00 0.00 175.35 176.86 1i0i s ILE 11 N -2.32 5.27 -0.12 3.79 1.01 -1.26 -0.04 121.20 127.53 1i0i s ILE 11 Ca 0.11 0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.93 1i0i s ILE 11 Cb -0.00 -3.62 -0.27 0.00 0.01 0.00 0.00 42.46 38.58 1i0i s ILE 11 CO -0.04 0.28 0.73 -0.07 0.00 0.00 0.00 174.94 175.84 1i0i h LEU 12 N 7.78 0.13 -7.48 2.97 3.38 -0.85 -3.47 115.31 117.76 1i0i h LEU 12 Ca -0.36 -0.93 -0.24 0.00 0.09 0.00 0.00 57.88 56.43 1i0i h LEU 12 Cb 1.17 -0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.57 1i0i h LEU 12 CO 0.67 1.17 -0.61 -0.36 0.09 0.00 0.00 178.44 179.40 1i0i s PHE 13 N -2.29 -0.13 0.77 1.13 0.40 -1.05 -5.01 117.98 111.80 1i0i s PHE 13 Ca -0.19 0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 56.43 1i0i s PHE 13 Cb -0.01 -0.08 0.07 0.00 0.51 0.00 0.00 43.02 43.52 1i0i s PHE 13 CO 0.72 -0.13 1.12 0.95 0.70 0.00 0.00 175.22 178.58 1i0i s THR 14 N 0.92 2.09 0.23 0.64 -4.23 -1.26 -0.79 115.64 113.24 1i0i s THR 14 Ca -0.07 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1i0i s THR 14 Cb -0.09 -3.00 0.21 0.00 1.34 0.00 0.00 72.50 70.95 1i0i s THR 14 CO -0.04 -0.00 1.90 -0.08 -0.54 0.00 0.00 174.62 175.85 1i0i h GLU 15 N -0.90 1.13 -0.54 3.99 4.81 -1.95 -1.85 114.58 119.26 1i0i h GLU 15 Ca -0.45 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1i0i h GLU 15 Cb 1.33 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1i0i h GLU 15 CO 0.64 0.75 0.17 1.49 -0.73 0.00 0.00 179.01 181.32 1i0i h GLU 16 N 1.16 0.84 -0.19 1.92 4.81 -1.93 -0.66 114.58 120.53 1i0i h GLU 16 Ca 0.33 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1i0i h GLU 16 Cb -0.10 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1i0i h GLU 16 CO -0.08 0.77 0.07 0.93 -0.73 0.00 0.00 179.01 179.97 1i0i h GLU 17 N 0.75 0.16 -0.28 1.92 5.08 -1.86 0.97 114.58 121.32 1i0i h GLU 17 Ca 0.17 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1i0i h GLU 17 Cb 0.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1i0i h GLU 17 CO -0.00 0.10 0.08 0.82 -1.00 0.00 0.00 179.01 179.01 1i0i h ILE 18 N 0.16 0.91 -0.34 3.13 2.04 -1.19 -0.87 117.51 121.35 1i0i h ILE 18 Ca 0.08 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.92 1i0i h ILE 18 Cb 0.05 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1i0i h ILE 18 CO -0.08 0.04 0.06 -0.09 0.00 0.00 0.00 178.15 178.07 1i0i h ARG 19 N 0.20 0.17 -0.26 2.37 2.43 -0.65 0.36 114.38 119.00 1i0i h ARG 19 Ca 0.12 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1i0i h ARG 19 Cb 0.10 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 1i0i h ARG 19 CO -0.14 0.11 0.07 1.15 -1.51 0.00 0.00 179.97 179.65 1i0i h THR 20 N 0.17 0.90 -0.48 0.20 2.02 -0.31 -2.11 112.91 113.30 1i0i h THR 20 Ca 0.16 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 67.15 1i0i h THR 20 Cb 0.19 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1i0i h THR 20 CO -0.22 0.03 -0.20 0.03 0.37 0.00 0.00 175.52 175.53 1i0i h ARG 21 N 0.17 0.98 -0.31 6.66 3.08 -0.68 -2.70 114.38 121.58 1i0i h ARG 21 Ca 0.12 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 1i0i h ARG 21 Cb 0.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1i0i h ARG 21 CO -0.14 1.09 0.06 0.82 -1.07 0.00 0.00 179.97 180.73 1i0i h ILE 22 N 0.83 1.16 0.12 2.04 2.04 -0.82 -0.78 117.51 122.11 1i0i h ILE 22 Ca 0.11 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1i0i h ILE 22 Cb 0.77 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1i0i h ILE 22 CO 0.06 0.20 -0.06 0.50 0.00 0.00 0.00 178.15 178.86 1i0i h LYS 23 N 0.45 -0.15 -0.82 2.37 3.64 -1.21 -0.09 116.57 120.76 1i0i h LYS 23 Ca 0.11 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1i0i h LYS 23 Cb 0.20 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.00 1i0i h LYS 23 CO -0.00 0.04 0.52 0.93 -2.27 0.00 0.00 179.45 178.67 1i0i h GLU 24 N -0.33 0.98 -0.53 1.90 5.08 -1.12 -0.63 114.58 119.93 1i0i h GLU 24 Ca -0.02 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1i0i h GLU 24 Cb 0.27 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1i0i h GLU 24 CO 0.03 0.65 -0.02 0.28 -1.00 0.00 0.00 179.01 178.94 1i0i h VAL 25 N 1.01 1.27 -0.30 3.13 2.07 -1.01 -2.38 116.25 120.04 1i0i h VAL 25 Ca 0.33 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 1i0i h VAL 25 Cb 0.02 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1i0i h VAL 25 CO -0.12 0.40 -0.18 0.00 0.02 0.00 0.00 177.57 177.70 1i0i h ALA 26 N 0.94 1.14 -0.52 1.67 0.00 -0.52 -0.90 119.26 121.07 1i0i h ALA 26 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1i0i h ALA 26 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1i0i h ALA 26 CO 0.03 0.54 0.27 -0.22 0.00 0.00 0.00 179.25 179.87 1i0i h LYS 27 N 0.48 0.74 -0.28 0.00 1.63 -0.93 -0.65 116.57 117.55 1i0i h LYS 27 Ca 0.08 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1i0i h LYS 27 Cb 0.59 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1i0i h LYS 27 CO 0.04 0.59 0.07 0.00 -3.45 0.00 0.00 179.45 176.69 1i0i h ARG 28 N 0.70 0.46 -0.83 1.90 3.08 -0.99 -0.97 114.38 117.72 1i0i h ARG 28 Ca 0.18 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1i0i h ARG 28 Cb 0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.02 1i0i h ARG 28 CO -0.03 0.54 0.55 0.82 -1.07 0.00 0.00 179.97 180.78 1i0i h ILE 29 N 0.29 1.15 -0.33 2.04 2.04 -0.99 0.18 117.51 121.89 1i0i h ILE 29 Ca 0.09 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 1i0i h ILE 29 Cb 0.30 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1i0i h ILE 29 CO 0.00 0.19 -0.06 0.00 0.00 0.00 0.00 178.15 178.28 1i0i h ALA 30 N 1.51 0.45 -0.54 1.87 0.00 -0.78 -1.25 119.26 120.52 1i0i h ALA 30 Ca 0.33 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1i0i h ALA 30 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1i0i h ALA 30 CO -0.09 0.26 -0.02 -0.44 0.00 0.00 0.00 179.25 178.96 1i0i h ASP 31 N 0.40 0.90 0.41 0.00 3.45 -0.46 -2.32 116.42 118.80 1i0i h ASP 31 Ca 0.08 -0.25 -0.09 0.00 0.43 0.00 0.00 57.03 57.20 1i0i h ASP 31 Cb 0.55 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 1i0i h ASP 31 CO 0.03 0.98 -0.44 0.44 -1.57 0.00 0.00 179.24 178.68 1i0i h ASP 32 N 0.85 0.04 -0.07 6.45 5.19 -0.47 -2.99 116.42 125.42 1i0i h ASP 32 Ca 0.15 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1i0i h ASP 32 Cb 0.53 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1i0i h ASP 32 CO 0.03 0.47 0.00 -1.22 -3.12 0.00 0.00 179.24 175.40 1i0i n TYR 33 N -4.02 0.06 -0.23 4.55 4.02 -0.49 -4.40 117.16 116.66 1i0i n TYR 33 Ca -0.02 -0.03 0.01 0.00 -0.01 0.00 0.00 57.90 57.86 1i0i n TYR 33 Cb 0.47 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.92 1i0i n TYR 33 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1i0i h LYS 34 N 4.15 0.46 0.00 -0.72 1.57 -1.26 0.45 116.57 121.22 1i0i h LYS 34 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1i0i h LYS 34 Cb 0.89 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1i0i h LYS 34 CO 0.00 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 1i0i n GLY 35 N -1.30 -0.65 0.15 3.86 0.00 -1.26 -2.22 105.19 103.76 1i0i n GLY 35 Ca 0.11 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1i0i n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i0i n LYS 36 N -1.15 0.43 -3.63 1.61 4.76 0.15 -4.98 118.16 115.34 1i0i n LYS 36 Ca 0.09 -0.30 -0.20 0.00 -2.87 0.00 0.00 58.31 55.03 1i0i n LYS 36 Cb 0.09 -1.49 0.05 0.00 -1.84 0.00 0.00 35.03 31.83 1i0i n LYS 36 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1i0i n GLY 37 N 1.45 -0.33 3.77 0.72 0.00 -0.94 -4.90 105.19 104.95 1i0i n GLY 37 Ca 0.07 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1i0i n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i0i s LEU 38 N -6.57 4.35 -0.03 0.99 1.43 -1.26 -4.90 118.68 112.69 1i0i s LEU 38 Ca 0.02 2.93 -0.07 0.00 -1.03 0.00 0.00 54.13 55.98 1i0i s LEU 38 Cb -0.00 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1i0i s LEU 38 CO 0.79 -0.78 0.15 -0.13 0.23 0.00 0.00 176.35 176.62 1i0i s ARG 39 N -1.75 0.36 0.70 1.70 0.52 0.83 -4.81 118.95 116.49 1i0i s ARG 39 Ca 0.53 -0.10 -0.16 0.00 -0.52 0.00 0.00 55.73 55.48 1i0i s ARG 39 Cb -0.45 0.15 0.02 0.00 0.52 0.00 0.00 34.95 35.20 1i0i s ARG 39 CO 0.58 -0.07 1.23 -1.25 0.02 0.00 0.00 175.30 175.80 1i0i s PRO 40 N -0.71 2.32 0.00 3.54 0.04 -1.26 -0.74 135.00 138.20 1i0i s PRO 40 Ca -0.08 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1i0i s PRO 40 Cb -0.05 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1i0i s PRO 40 CO 0.01 -1.72 0.00 0.66 0.04 0.00 0.00 177.00 175.99 1i0i n TYR 41 N -2.40 0.00 -0.00 0.56 4.02 -1.26 -4.22 117.16 113.85 1i0i n TYR 41 Ca 0.14 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.98 1i0i n TYR 41 Cb 0.50 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.70 1i0i n TYR 41 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1i0i n VAL 42 N 0.00 1.41 -2.82 -0.72 0.24 -1.24 -4.70 118.33 110.51 1i0i n VAL 42 Ca 0.00 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.34 61.44 1i0i n VAL 42 Cb 0.00 -0.88 0.05 0.00 -1.47 0.00 0.00 33.84 31.54 1i0i n VAL 42 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1i0i n ASN 43 N -2.96 -0.38 -4.86 -1.34 5.15 0.08 -4.96 115.26 105.99 1i0i n ASN 43 Ca -0.15 -2.95 -0.31 0.00 -0.60 0.00 0.00 54.58 50.57 1i0i n ASN 43 Cb 0.97 0.38 -0.00 0.00 -0.53 0.00 0.00 39.78 40.59 1i0i n ASN 43 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1i0i s PRO 44 N -1.38 3.70 -0.14 1.20 0.04 -0.65 -0.12 135.00 137.65 1i0i s PRO 44 Ca 0.28 0.79 -0.29 0.00 0.04 0.00 0.00 61.00 61.81 1i0i s PRO 44 Cb 0.38 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.80 1i0i s PRO 44 CO -0.04 -0.46 1.03 -1.17 0.04 0.00 0.00 177.00 176.40 1i0i s LEU 45 N -4.82 4.21 -0.36 -3.56 2.96 -0.43 -4.54 118.68 112.14 1i0i s LEU 45 Ca 0.56 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.70 1i0i s LEU 45 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1i0i s LEU 45 CO 0.47 -0.52 1.02 -0.69 -1.32 0.00 0.00 176.35 175.31 1i0i s VAL 46 N 2.38 4.50 -0.25 1.68 1.01 0.20 -1.72 120.40 128.20 1i0i s VAL 46 Ca 0.48 1.46 -0.16 0.00 0.00 0.00 0.00 61.98 63.75 1i0i s VAL 46 Cb -0.18 -4.40 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 1i0i s VAL 46 CO 0.15 -0.57 0.44 -0.76 0.00 0.00 0.00 175.10 174.36 1i0i s LEU 47 N 3.68 4.07 -0.50 3.92 1.43 0.19 -0.54 118.68 130.93 1i0i s LEU 47 Ca 0.43 0.44 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 1i0i s LEU 47 Cb -0.11 -2.55 0.11 0.00 0.03 0.00 0.00 46.19 43.67 1i0i s LEU 47 CO 0.19 -0.20 0.41 -0.63 0.23 0.00 0.00 176.35 176.35 1i0i s ILE 48 N 2.00 4.83 -0.35 -0.59 1.01 -0.43 -0.54 121.20 127.14 1i0i s ILE 48 Ca 0.19 -1.49 -0.27 0.00 0.00 0.00 0.00 60.65 59.08 1i0i s ILE 48 Cb -0.15 -4.07 0.01 0.00 0.01 0.00 0.00 42.46 38.26 1i0i s ILE 48 CO 0.09 -0.75 0.96 -0.55 0.00 0.00 0.00 174.94 174.69 1i0i s SER 49 N 3.01 6.75 -0.68 3.58 0.15 0.33 -0.67 113.70 126.17 1i0i s SER 49 Ca 0.04 0.72 -0.25 0.00 0.70 0.00 0.00 55.95 57.16 1i0i s SER 49 Cb -0.27 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1i0i s SER 49 CO 0.03 -0.85 1.12 -0.69 1.20 0.00 0.00 173.24 174.04 1i0i s VAL 50 N 3.51 4.04 0.61 4.45 1.01 -1.09 -1.85 120.40 131.09 1i0i s VAL 50 Ca 0.40 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1i0i s VAL 50 Cb -0.12 -4.78 -0.03 0.00 0.00 0.00 0.00 36.38 31.46 1i0i s VAL 50 CO 0.18 -1.59 1.07 -0.76 0.00 0.00 0.00 175.10 173.99 1i0i s LEU 51 N 4.85 3.46 -0.01 3.92 1.43 -0.05 -1.44 118.68 130.84 1i0i s LEU 51 Ca 0.30 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.35 1i0i s LEU 51 Cb -0.12 -4.54 -0.23 0.00 0.03 0.00 0.00 46.19 41.33 1i0i s LEU 51 CO 0.14 -1.30 0.81 0.11 0.23 0.00 0.00 176.35 176.34 1i0i h LYS 52 N 0.32 0.05 -0.84 1.70 1.57 -1.87 -3.01 116.57 114.48 1i0i h LYS 52 Ca -0.47 -0.08 0.19 0.00 -1.87 0.00 0.00 60.65 58.42 1i0i h LYS 52 Cb 1.23 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 1i0i h LYS 52 CO 0.56 0.72 0.56 0.78 -0.57 0.00 0.00 179.45 181.51 1i0i h GLY 53 N 3.03 0.73 1.64 3.86 0.00 -1.73 -2.59 103.07 108.01 1i0i h GLY 53 Ca -0.23 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1i0i h GLY 53 CO 0.10 0.02 0.00 -1.26 0.00 0.00 0.00 176.54 175.40 1i0i n SER 54 N -4.48 0.00 -0.28 0.19 2.88 -0.52 -4.22 113.62 107.20 1i0i n SER 54 Ca 0.17 0.01 0.07 0.00 -1.33 0.00 0.00 58.87 57.80 1i0i n SER 54 Cb 0.65 -0.32 0.22 0.00 -0.75 0.00 0.00 64.21 64.02 1i0i n SER 54 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1i0i h PHE 55 N 0.00 0.58 0.09 0.66 -5.15 -1.69 0.11 116.94 111.54 1i0i h PHE 55 Ca 0.00 0.04 -0.24 0.00 -0.20 0.00 0.00 57.97 57.56 1i0i h PHE 55 Cb 0.27 -0.13 0.02 0.00 0.22 0.00 0.00 35.95 36.33 1i0i h PHE 55 CO 0.00 0.06 -1.01 1.98 -2.00 0.00 0.00 178.31 177.34 1i0i h MET 56 N 0.46 0.52 -0.27 6.09 4.05 -1.85 -2.50 114.93 121.44 1i0i h MET 56 Ca 0.46 -0.68 -0.02 0.00 -0.28 0.00 0.00 59.70 59.18 1i0i h MET 56 Cb 0.73 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 1i0i h MET 56 CO -0.43 1.29 0.11 0.35 0.23 0.00 0.00 176.91 178.46 1i0i h PHE 57 N 0.07 0.41 -0.34 1.39 3.57 -1.73 -2.47 116.94 117.84 1i0i h PHE 57 Ca -0.15 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.37 1i0i h PHE 57 Cb 1.72 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 40.29 1i0i h PHE 57 CO 0.14 0.41 0.04 1.15 -2.23 0.00 0.00 178.31 177.82 1i0i h THR 58 N 0.29 0.79 -0.47 4.41 2.02 -0.84 0.34 112.91 119.44 1i0i h THR 58 Ca 0.09 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1i0i h THR 58 Cb 0.18 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1i0i h THR 58 CO -0.01 0.03 0.29 0.00 0.37 0.00 0.00 175.52 176.19 1i0i h ALA 59 N 1.27 0.60 -0.00 6.16 0.00 -1.30 0.37 119.26 126.36 1i0i h ALA 59 Ca 0.16 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1i0i h ALA 59 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1i0i h ALA 59 CO -0.24 -0.01 -0.88 -0.44 0.00 0.00 0.00 179.25 177.67 1i0i h ASP 60 N 0.58 0.33 -0.01 0.00 3.32 -1.14 -3.19 116.42 116.29 1i0i h ASP 60 Ca 0.19 -0.26 -0.20 0.00 0.02 0.00 0.00 57.03 56.78 1i0i h ASP 60 Cb -0.00 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1i0i h ASP 60 CO -0.08 1.06 -0.70 0.25 -1.72 0.00 0.00 179.24 178.05 1i0i h LEU 61 N 0.14 0.76 -1.28 1.55 5.85 -0.06 -2.20 115.31 120.07 1i0i h LEU 61 Ca -0.05 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 1i0i h LEU 61 Cb 1.51 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 1i0i h LEU 61 CO 0.14 1.24 -0.17 0.00 -0.34 0.00 0.00 178.44 179.31 1i0i h ARG 63 N 0.26 0.73 -0.08 0.00 3.08 -1.53 0.12 114.38 116.97 1i0i h ARG 63 Ca 0.05 -0.45 -0.08 0.00 0.07 0.00 0.00 59.98 59.57 1i0i h ARG 63 Cb 0.46 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1i0i h ARG 63 CO 0.03 1.08 -0.32 0.00 -1.07 0.00 0.00 179.97 179.69 1i0i h ALA 64 N 0.65 1.33 -0.32 0.04 0.00 -0.87 -0.59 119.26 119.50 1i0i h ALA 64 Ca 0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1i0i h ALA 64 Cb 1.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1i0i h ALA 64 CO 0.10 0.48 -0.45 -0.07 0.00 0.00 0.00 179.25 179.30 1i0i h LEU 65 N 0.13 0.90 -1.03 0.00 3.38 -0.46 -2.79 115.31 115.44 1i0i h LEU 65 Ca 0.02 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.50 1i0i h LEU 65 Cb 0.63 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1i0i h LEU 65 CO 0.05 1.21 0.12 0.00 0.09 0.00 0.00 178.44 179.90 1i0i h ASP 67 N 0.78 0.15 -0.70 0.00 3.32 -0.84 0.42 116.42 119.55 1i0i h ASP 67 Ca 0.17 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.94 1i0i h ASP 67 Cb 0.30 -0.03 -0.17 0.00 0.22 0.00 0.00 39.33 39.66 1i0i h ASP 67 CO 0.00 0.09 0.30 0.49 -1.72 0.00 0.00 179.24 178.40 1i0i n PHE 68 N -4.44 2.25 -2.58 4.55 3.01 -0.70 -4.95 117.46 114.61 1i0i n PHE 68 Ca 0.09 -1.45 -0.16 0.00 1.01 0.00 0.00 57.45 56.93 1i0i n PHE 68 Cb 0.46 -0.70 -0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1i0i n PHE 68 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1i0i n ASN 69 N -0.68 -4.55 -4.52 4.37 3.02 0.14 -4.95 115.26 108.08 1i0i n ASN 69 Ca 0.44 0.04 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 1i0i n ASN 69 Cb 1.37 -3.81 -0.08 0.00 -0.61 0.00 0.00 39.78 36.65 1i0i n ASN 69 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i0i s VAL 70 N -2.80 4.96 0.02 2.41 1.01 -0.57 -5.01 120.40 120.43 1i0i s VAL 70 Ca 0.07 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1i0i s VAL 70 Cb -0.03 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1i0i s VAL 70 CO 0.08 -0.41 1.14 -2.16 0.00 0.00 0.00 175.10 173.75 1i0i s PRO 71 N 2.49 4.45 0.24 2.72 0.04 -1.26 -4.12 135.00 139.56 1i0i s PRO 71 Ca 0.18 1.66 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1i0i s PRO 71 Cb -0.15 -3.41 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1i0i s PRO 71 CO 0.15 -0.23 -0.08 0.14 0.04 0.00 0.00 177.00 177.02 1i0i s VAL 72 N 1.25 1.57 -0.06 -0.36 -7.23 -1.26 -1.32 120.40 112.99 1i0i s VAL 72 Ca 0.56 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 1i0i s VAL 72 Cb -0.26 -2.28 0.02 0.00 0.56 0.00 0.00 36.38 34.41 1i0i s VAL 72 CO 0.28 -0.41 -0.08 -0.60 -0.31 0.00 0.00 175.10 173.97 1i0i s ARG 73 N -3.72 1.26 -0.11 4.82 3.52 -0.70 -4.84 118.95 119.18 1i0i s ARG 73 Ca 0.27 -0.24 -0.13 0.00 -0.13 0.00 0.00 55.73 55.50 1i0i s ARG 73 Cb 0.03 -1.16 -0.05 0.00 -1.56 0.00 0.00 34.95 32.21 1i0i s ARG 73 CO 0.09 -0.06 0.29 -1.64 -0.81 0.00 0.00 175.30 173.17 1i0i s MET 74 N 0.93 3.99 -0.07 5.12 -1.94 -1.26 -0.64 119.30 125.43 1i0i s MET 74 Ca -0.10 0.13 0.03 0.00 -1.71 0.00 0.00 55.69 54.04 1i0i s MET 74 Cb -0.15 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.38 1i0i s MET 74 CO 0.01 0.47 -0.17 -1.21 -0.01 0.00 0.00 175.02 174.11 1i0i s GLU 75 N -0.25 2.07 -0.22 2.03 0.41 0.30 -4.95 118.70 118.09 1i0i s GLU 75 Ca 0.18 -0.58 -0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1i0i s GLU 75 Cb -0.14 -1.68 0.01 0.00 -1.78 0.00 0.00 34.13 30.54 1i0i s GLU 75 CO 0.06 0.12 -0.08 -0.06 -0.49 0.00 0.00 175.26 174.82 1i0i s PHE 76 N 0.42 2.95 0.45 1.61 0.40 -1.26 -0.51 117.98 122.04 1i0i s PHE 76 Ca -0.13 -1.22 0.06 0.00 -0.60 0.00 0.00 56.93 55.04 1i0i s PHE 76 Cb -0.15 -2.06 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1i0i s PHE 76 CO 0.05 -0.64 0.13 0.96 0.70 0.00 0.00 175.22 176.42 1i0i s ILE 77 N 1.41 1.92 -0.06 0.64 -4.36 -0.77 -4.72 121.20 115.26 1i0i s ILE 77 Ca 0.04 -1.80 -0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1i0i s ILE 77 Cb -0.15 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 40.88 1i0i s ILE 77 CO -0.05 0.00 0.11 0.00 0.24 0.00 0.00 174.94 175.24 1i0i s VAL 79 N 1.83 0.96 0.01 0.00 1.01 -1.14 0.56 120.40 123.64 1i0i s VAL 79 Ca -0.01 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1i0i s VAL 79 Cb -0.12 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1i0i s VAL 79 CO -0.05 0.18 -0.16 -0.55 0.00 0.00 0.00 175.10 174.52 1i0i s SER 80 N -0.52 1.88 0.00 3.32 0.15 0.43 -4.51 113.70 114.44 1i0i s SER 80 Ca 0.03 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1i0i s SER 80 Cb -0.05 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 1i0i s SER 80 CO -0.00 0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.35 1i0i n SER 81 N 2.38 0.00 0.09 5.45 2.88 -1.26 -0.12 113.62 123.03 1i0i n SER 81 Ca -0.16 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1i0i n SER 81 Cb 0.54 0.16 -0.04 0.00 -0.75 0.00 0.00 64.21 64.12 1i0i n SER 81 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1i0i h TYR 82 N 0.00 0.00 0.00 0.66 -1.99 -1.87 -2.95 116.97 110.82 1i0i h TYR 82 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i0i h TYR 82 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1i0i h TYR 82 CO 0.00 0.68 0.00 0.41 -0.00 0.00 0.00 178.16 179.25 1i0i n GLY 83 N 1.31 3.45 0.46 3.88 0.00 -1.26 -1.10 105.19 111.93 1i0i n GLY 83 Ca -0.02 -0.16 0.12 0.00 0.00 0.00 0.00 46.02 45.96 1i0i n GLY 83 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i0i n GLU 84 N 14.00 1.61 -1.57 1.61 1.02 -1.26 -4.43 120.64 131.63 1i0i n GLU 84 Ca 0.00 -0.91 -0.09 0.00 -0.02 0.00 0.00 57.16 56.14 1i0i n GLU 84 Cb 0.00 -1.42 0.04 0.00 -0.02 0.00 0.00 31.44 30.04 1i0i n GLU 84 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i0i n GLY 85 N 1.11 1.14 0.00 0.62 0.00 -0.26 -4.03 105.19 103.78 1i0i n GLY 85 Ca 0.17 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.22 1i0i n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i0i n LEU 86 N 0.00 0.33 -4.30 0.99 4.77 -1.26 -4.56 117.00 112.96 1i0i n LEU 86 Ca 0.07 -0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 55.64 1i0i n LEU 86 Cb 0.25 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 1i0i n LEU 86 CO 0.17 0.08 -0.45 0.42 -1.33 0.00 0.00 177.39 176.27 1i0i s THR 87 N -2.84 1.60 0.31 -5.08 -4.23 -1.26 -5.05 115.64 99.09 1i0i s THR 87 Ca -0.01 -1.96 -0.29 0.00 -1.18 0.00 0.00 61.69 58.25 1i0i s THR 87 Cb 0.11 -1.82 -0.12 0.00 1.34 0.00 0.00 72.50 72.01 1i0i s THR 87 CO 0.66 -0.46 1.43 -0.24 -0.54 0.00 0.00 174.62 175.46 1i0i n SER 88 N 0.11 3.19 0.03 3.99 2.88 -1.26 -4.64 113.62 117.92 1i0i n SER 88 Ca -0.12 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.73 1i0i n SER 88 Cb 0.58 -1.52 0.52 0.00 -0.75 0.00 0.00 64.21 63.05 1i0i n SER 88 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1i0i n SER 89 N 1.43 0.24 0.00 -3.46 3.41 -1.11 -4.86 113.62 109.27 1i0i n SER 89 Ca 0.07 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1i0i n SER 89 Cb 0.35 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1i0i n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i0i n GLY 90 N 1.17 1.21 3.22 5.00 0.00 -1.26 -5.01 105.19 109.52 1i0i n GLY 90 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1i0i n GLY 90 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i0i s GLN 91 N -0.38 1.62 -0.20 1.61 -1.52 -1.26 -5.13 119.66 114.41 1i0i s GLN 91 Ca 0.00 -0.77 0.01 0.00 -1.95 0.00 0.00 55.36 52.65 1i0i s GLN 91 Cb 0.00 -1.60 0.02 0.00 -0.22 0.00 0.00 33.01 31.22 1i0i s GLN 91 CO 0.00 0.43 -0.17 0.08 -0.25 0.00 0.00 175.29 175.38 1i0i s VAL 92 N -0.53 2.18 -0.22 1.09 1.01 -1.26 -4.37 120.40 118.30 1i0i s VAL 92 Ca 0.08 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 1i0i s VAL 92 Cb -0.08 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1i0i s VAL 92 CO -0.00 0.45 0.07 -0.13 0.00 0.00 0.00 175.10 175.49 1i0i s ARG 93 N 1.28 3.84 -0.62 2.72 3.00 0.83 -4.94 118.95 125.05 1i0i s ARG 93 Ca 0.03 -0.40 -0.23 0.00 0.00 0.00 0.00 55.73 55.13 1i0i s ARG 93 Cb -0.14 -3.29 0.06 0.00 0.00 0.00 0.00 34.95 31.58 1i0i s ARG 93 CO -0.11 0.06 0.94 1.41 0.00 0.00 0.00 175.30 177.59 1i0i s MET 94 N 0.97 3.17 0.17 3.54 -2.45 -1.26 -0.43 119.30 123.01 1i0i s MET 94 Ca 0.04 -0.67 0.18 0.00 -1.25 0.00 0.00 55.69 53.99 1i0i s MET 94 Cb -0.14 -4.17 -0.03 0.00 1.25 0.00 0.00 34.83 31.74 1i0i s MET 94 CO 0.03 -1.69 1.07 -0.07 1.05 0.00 0.00 175.02 175.41 1i0i h LEU 95 N 11.16 0.00 -7.01 4.11 3.38 -0.25 -3.46 115.31 123.23 1i0i h LEU 95 Ca -0.28 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1i0i h LEU 95 Cb 1.07 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 1i0i h LEU 95 CO 1.14 0.40 -0.09 -0.22 0.09 0.00 0.00 178.44 179.77 1i0i s LEU 96 N -5.88 -1.01 0.48 1.67 2.96 -0.80 -4.87 118.68 111.22 1i0i s LEU 96 Ca -0.00 1.51 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 1i0i s LEU 96 Cb 0.08 2.27 0.03 0.00 0.50 0.00 0.00 46.19 49.08 1i0i s LEU 96 CO 0.78 -0.23 0.60 -0.62 -1.32 0.00 0.00 176.35 175.56 1i0i s ASP 97 N 2.33 5.32 0.67 3.68 -1.08 -1.26 -0.84 116.67 125.49 1i0i s ASP 97 Ca -0.08 -0.66 -0.17 0.00 -0.52 0.00 0.00 52.55 51.12 1i0i s ASP 97 Cb -0.09 -0.27 -0.02 0.00 -1.46 0.00 0.00 42.92 41.07 1i0i s ASP 97 CO -0.19 -0.95 0.88 0.35 0.52 0.00 0.00 175.17 175.78 1i0i n THR 98 N -1.92 2.99 0.07 1.71 -2.24 -1.26 -4.78 114.28 108.85 1i0i n THR 98 Ca 0.09 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 1i0i n THR 98 Cb 0.61 -1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 67.66 1i0i n THR 98 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1i0i h ARG 99 N -0.01 0.20 -5.87 -0.78 -0.00 -1.98 -3.47 114.38 102.48 1i0i h ARG 99 Ca -0.47 -0.34 -0.60 0.00 -0.00 0.00 0.00 59.98 58.57 1i0i h ARG 99 Cb 1.35 0.13 -0.11 0.00 -0.00 0.00 0.00 29.97 31.34 1i0i h ARG 99 CO 0.47 1.09 -0.59 -1.01 -0.00 0.00 0.00 179.97 179.94 1i0i s HIS 100 N -2.65 2.54 0.35 4.08 3.76 -1.26 -5.12 115.29 116.99 1i0i s HIS 100 Ca -0.05 -0.55 -0.25 0.00 -0.15 0.00 0.00 55.06 54.05 1i0i s HIS 100 Cb 0.08 -1.68 -0.10 0.00 1.11 0.00 0.00 32.58 31.99 1i0i s HIS 100 CO 0.86 0.41 0.98 0.45 -0.85 0.00 0.00 174.74 176.59 1i0i s SER 101 N -3.75 7.13 0.00 1.40 0.15 -1.26 -4.95 113.70 112.43 1i0i s SER 101 Ca 0.36 1.91 0.24 0.00 0.70 0.00 0.00 55.95 59.17 1i0i s SER 101 Cb 0.04 -2.58 0.34 0.00 -1.71 0.00 0.00 66.02 62.11 1i0i s SER 101 CO 0.19 -0.22 1.34 2.30 1.20 0.00 0.00 173.24 178.06 1i0i n ILE 102 N 0.32 0.05 -1.68 6.45 -5.35 -1.26 -4.92 119.36 112.96 1i0i n ILE 102 Ca 0.03 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.61 1i0i n ILE 102 Cb 0.50 1.30 -0.03 0.00 -1.74 0.00 0.00 39.64 39.67 1i0i n ILE 102 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1i0i n GLU 103 N 1.19 2.85 -0.86 6.28 2.13 -1.25 -1.53 120.64 129.44 1i0i n GLU 103 Ca 0.15 1.04 0.00 0.00 0.66 0.00 0.00 57.16 59.01 1i0i n GLU 103 Cb 0.56 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.32 1i0i n GLU 103 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1i0i n GLY 104 N 4.32 1.05 3.76 8.31 0.00 -0.25 -4.86 105.19 117.52 1i0i n GLY 104 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1i0i n GLY 104 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i0i s HIS 105 N -3.77 2.99 -0.28 1.61 3.76 -0.58 -4.01 115.29 115.01 1i0i s HIS 105 Ca 0.00 -0.12 -0.23 0.00 -0.15 0.00 0.00 55.06 54.56 1i0i s HIS 105 Cb 0.00 -1.38 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 1i0i s HIS 105 CO 0.00 0.54 0.78 -1.01 -0.85 0.00 0.00 174.74 174.20 1i0i s HIS 106 N -2.04 3.25 -0.03 1.40 3.76 -1.26 0.66 115.29 121.02 1i0i s HIS 106 Ca 0.31 0.91 0.04 0.00 -0.15 0.00 0.00 55.06 56.17 1i0i s HIS 106 Cb -0.08 -3.11 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 1i0i s HIS 106 CO 0.23 -0.48 -0.13 0.08 -0.85 0.00 0.00 174.74 173.59 1i0i s VAL 107 N 2.85 3.19 -0.23 -0.90 1.01 -0.48 -0.63 120.40 125.20 1i0i s VAL 107 Ca 0.32 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1i0i s VAL 107 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.02 1i0i s VAL 107 CO 0.10 0.53 0.06 -0.22 0.00 0.00 0.00 175.10 175.56 1i0i s LEU 108 N -0.95 1.45 0.19 3.92 2.96 0.30 -1.66 118.68 124.89 1i0i s LEU 108 Ca 0.13 -1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 52.66 1i0i s LEU 108 Cb -0.11 -0.67 -0.08 0.00 0.50 0.00 0.00 46.19 45.84 1i0i s LEU 108 CO 0.02 -0.34 1.20 -0.63 -1.32 0.00 0.00 176.35 175.28 1i0i s ILE 109 N 1.80 3.54 -0.21 6.68 1.01 -0.34 -1.31 121.20 132.36 1i0i s ILE 109 Ca 0.02 1.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.95 1i0i s ILE 109 Cb -0.17 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1i0i s ILE 109 CO -0.15 0.21 -0.09 -0.69 0.00 0.00 0.00 174.94 174.22 1i0i s VAL 110 N -0.09 2.94 0.06 2.92 1.01 0.15 -1.07 120.40 126.33 1i0i s VAL 110 Ca 0.53 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1i0i s VAL 110 Cb -0.33 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1i0i s VAL 110 CO 0.37 0.45 -0.17 -1.61 0.00 0.00 0.00 175.10 174.14 1i0i s GLU 111 N 1.41 1.05 0.08 2.72 0.41 -0.09 -2.68 118.70 121.61 1i0i s GLU 111 Ca 0.05 -0.95 -0.05 0.00 -0.41 0.00 0.00 54.97 53.61 1i0i s GLU 111 Cb -0.14 -1.15 -0.26 0.00 -1.78 0.00 0.00 34.13 30.80 1i0i s GLU 111 CO -0.06 0.28 1.16 0.38 -0.49 0.00 0.00 175.26 176.52 1i0i h ASP 112 N 4.55 0.48 -4.95 -0.19 2.03 -1.86 -0.22 116.42 116.27 1i0i h ASP 112 Ca -0.42 -0.49 -0.07 0.00 -0.73 0.00 0.00 57.03 55.32 1i0i h ASP 112 Cb 1.18 -0.16 -0.19 0.00 -0.83 0.00 0.00 39.33 39.33 1i0i h ASP 112 CO 0.42 1.37 0.14 -0.51 -1.03 0.00 0.00 179.24 179.62 1i0i s ILE 113 N -2.76 0.01 -0.05 4.15 2.07 -1.26 -0.47 121.20 122.89 1i0i s ILE 113 Ca -0.05 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 1i0i s ILE 113 Cb 0.07 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.71 1i0i s ILE 113 CO 0.89 -0.03 -0.11 0.54 -1.91 0.00 0.00 174.94 174.33 1i0i s VAL 114 N -1.13 0.98 0.00 4.00 0.11 -0.32 -4.95 120.40 119.08 1i0i s VAL 114 Ca -0.11 -0.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1i0i s VAL 114 Cb -0.01 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1i0i s VAL 114 CO 0.09 0.31 0.00 1.67 -3.33 0.00 0.00 175.10 173.84 1i0i n GLN 115 N 3.66 0.00 0.25 1.54 7.27 -1.26 -1.17 117.38 127.67 1i0i n GLN 115 Ca -0.22 0.00 0.14 0.00 0.07 0.00 0.00 57.00 56.99 1i0i n GLN 115 Cb 0.52 0.00 0.58 0.00 2.41 0.00 0.00 30.24 33.75 1i0i n GLN 115 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1i0i h THR 116 N 0.00 0.29 -0.18 1.69 1.35 -1.88 -2.71 112.91 111.47 1i0i h THR 116 Ca 0.00 -0.80 -0.08 0.00 -0.55 0.00 0.00 66.41 64.98 1i0i h THR 116 Cb 0.00 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.01 1i0i h THR 116 CO 0.00 0.11 -0.07 0.00 -0.25 0.00 0.00 175.52 175.31 1i0i n ALA 117 N -2.16 -0.06 -0.24 6.62 0.00 -1.26 -1.20 120.51 122.21 1i0i n ALA 117 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1i0i n ALA 117 Cb 0.36 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.01 1i0i n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1i0i h LEU 118 N 0.00 1.00 0.88 0.00 3.38 -1.89 -1.38 115.31 117.30 1i0i h LEU 118 Ca -0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1i0i h LEU 118 Cb 0.46 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1i0i h LEU 118 CO 0.12 0.97 -0.42 0.74 0.09 0.00 0.00 178.44 179.94 1i0i h THR 119 N 0.98 0.05 -0.21 0.22 2.02 -1.96 -0.80 112.91 113.21 1i0i h THR 119 Ca 0.21 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1i0i h THR 119 Cb 0.36 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1i0i h THR 119 CO 0.00 0.00 0.11 -0.07 0.37 0.00 0.00 175.52 175.93 1i0i h LEU 120 N -1.28 0.25 -0.36 2.58 3.38 -1.96 -0.39 115.31 117.53 1i0i h LEU 120 Ca -0.12 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1i0i h LEU 120 Cb 0.91 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1i0i h LEU 120 CO 0.20 0.21 -0.30 -1.13 0.09 0.00 0.00 178.44 177.51 1i0i h ASN 121 N 0.29 0.88 -0.17 -0.43 -1.24 -1.20 0.22 115.58 113.92 1i0i h ASN 121 Ca 0.07 -0.45 -0.01 0.00 0.71 0.00 0.00 56.30 56.62 1i0i h ASN 121 Cb 0.02 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1i0i h ASN 121 CO -0.01 1.15 0.06 0.22 -1.29 0.00 0.00 177.43 177.56 1i0i h TYR 122 N 0.63 0.28 -0.35 0.67 3.20 -0.36 -1.95 116.97 119.08 1i0i h TYR 122 Ca 0.06 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1i0i h TYR 122 Cb 0.88 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1i0i h TYR 122 CO 0.07 0.36 0.18 -0.07 -1.64 0.00 0.00 178.16 177.05 1i0i h LEU 123 N 0.11 0.45 -0.89 2.82 3.38 -0.91 -2.51 115.31 117.77 1i0i h LEU 123 Ca 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1i0i h LEU 123 Cb 0.21 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1i0i h LEU 123 CO -0.00 0.44 0.44 1.88 0.09 0.00 0.00 178.44 181.28 1i0i h TYR 124 N 0.44 1.23 0.00 1.13 -1.99 -0.49 0.40 116.97 117.69 1i0i h TYR 124 Ca 0.12 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1i0i h TYR 124 Cb 0.09 -0.39 -0.00 0.00 2.00 0.00 0.00 36.73 38.44 1i0i h TYR 124 CO -0.02 0.87 -0.05 0.45 -0.00 0.00 0.00 178.16 179.42 1i0i h HIS 125 N 1.23 0.00 0.00 4.88 3.86 -1.22 -0.51 115.15 123.39 1i0i h HIS 125 Ca 0.30 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.45 1i0i h HIS 125 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1i0i h HIS 125 CO 0.01 0.05 -0.33 1.98 0.86 0.00 0.00 177.93 180.50 1i0i h MET 126 N 0.00 0.00 0.00 2.45 1.85 -0.91 -3.36 114.93 114.96 1i0i h MET 126 Ca -0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 1i0i h MET 126 Cb 0.68 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 1i0i h MET 126 CO 0.01 0.92 -0.53 1.88 -0.40 0.00 0.00 176.91 178.79 1i0i h TYR 127 N -1.00 0.00 -0.29 1.39 0.99 -0.97 -3.21 116.97 113.88 1i0i h TYR 127 Ca -0.09 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.58 1i0i h TYR 127 Cb 1.01 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.72 1i0i h TYR 127 CO 0.21 0.53 -0.10 0.35 -0.00 0.00 0.00 178.16 179.15 1i0i h PHE 128 N 0.00 0.51 0.00 4.88 3.57 -1.26 -1.83 116.94 122.80 1i0i h PHE 128 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1i0i h PHE 128 Cb 1.11 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.71 1i0i h PHE 128 CO 0.00 0.57 0.00 0.25 -2.23 0.00 0.00 178.31 176.90 1i0i n THR 129 N -4.22 0.87 1.57 4.41 -2.24 -1.21 -2.49 114.28 110.96 1i0i n THR 129 Ca 0.01 0.21 0.14 0.00 -2.27 0.00 0.00 64.05 62.13 1i0i n THR 129 Cb 0.30 -1.04 0.58 0.00 -2.10 0.00 0.00 70.33 68.07 1i0i n THR 129 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1i0i n ARG 130 N -1.87 1.53 -3.40 -0.78 1.74 -0.69 -4.97 116.66 108.22 1i0i n ARG 130 Ca 0.03 -0.78 -0.17 0.00 -0.77 0.00 0.00 57.85 56.16 1i0i n ARG 130 Cb 0.21 -1.46 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1i0i n ARG 130 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i0i n ARG 131 N -0.05 -5.20 -1.50 5.56 1.74 -1.04 -3.75 116.66 112.43 1i0i n ARG 131 Ca 0.19 0.83 -0.31 0.00 -0.77 0.00 0.00 57.85 57.80 1i0i n ARG 131 Cb 0.30 -5.79 0.06 0.00 -1.02 0.00 0.00 32.46 26.01 1i0i n ARG 131 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1i0i s PRO 132 N -5.13 2.77 0.31 5.56 0.04 -1.26 -1.09 135.00 136.20 1i0i s PRO 132 Ca 0.14 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.21 1i0i s PRO 132 Cb -0.02 -1.97 0.60 0.00 0.04 0.00 0.00 34.50 33.15 1i0i s PRO 132 CO 0.74 -1.23 1.88 0.00 0.04 0.00 0.00 177.00 178.43 1i0i h ALA 133 N -0.81 1.58 -2.62 8.56 0.00 0.09 -3.42 119.26 122.64 1i0i h ALA 133 Ca -0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1i0i h ALA 133 Cb 1.22 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1i0i h ALA 133 CO 0.55 0.23 0.26 -1.54 0.00 0.00 0.00 179.25 178.75 1i0i s SER 134 N -5.87 -0.55 -0.12 0.00 1.04 -1.18 -4.94 113.70 102.07 1i0i s SER 134 Ca -0.11 0.17 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1i0i s SER 134 Cb 0.21 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.92 1i0i s SER 134 CO 0.80 -0.81 0.07 -0.22 0.98 0.00 0.00 173.24 174.05 1i0i s LEU 135 N -2.30 0.34 0.39 2.42 2.96 -1.26 -1.38 118.68 119.85 1i0i s LEU 135 Ca -0.01 -0.35 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 1i0i s LEU 135 Cb -0.01 -0.24 -0.06 0.00 0.50 0.00 0.00 46.19 46.39 1i0i s LEU 135 CO -0.07 -0.30 0.05 -0.54 -1.32 0.00 0.00 176.35 174.17 1i0i s LYS 136 N 2.12 1.86 -0.02 1.98 1.02 -0.66 -5.03 119.74 121.01 1i0i s LYS 136 Ca 0.03 -2.08 -0.02 0.00 0.02 0.00 0.00 55.97 53.91 1i0i s LYS 136 Cb -0.14 -1.15 0.01 0.00 -0.52 0.00 0.00 37.83 36.02 1i0i s LYS 136 CO -0.07 -0.22 0.06 0.99 -0.92 0.00 0.00 175.35 175.20 1i0i s THR 137 N -3.05 0.01 -0.13 2.17 2.01 -1.26 -1.20 115.64 114.18 1i0i s THR 137 Ca 0.30 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1i0i s THR 137 Cb 0.07 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.48 1i0i s THR 137 CO 0.14 -0.03 -0.16 0.54 -0.69 0.00 0.00 174.62 174.42 1i0i s VAL 138 N -0.05 1.65 -0.07 3.82 0.11 -0.23 -1.11 120.40 124.52 1i0i s VAL 138 Ca -0.01 -0.72 0.05 0.00 -2.93 0.00 0.00 61.98 58.38 1i0i s VAL 138 Cb -0.01 -1.51 -0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1i0i s VAL 138 CO 0.00 0.47 -0.23 0.68 -3.33 0.00 0.00 175.10 172.69 1i0i s VAL 139 N 1.10 2.19 0.01 2.04 -7.23 -0.19 -0.92 120.40 117.40 1i0i s VAL 139 Ca -0.03 -1.01 -0.25 0.00 -1.81 0.00 0.00 61.98 58.88 1i0i s VAL 139 Cb -0.14 -1.81 -0.18 0.00 0.56 0.00 0.00 36.38 34.81 1i0i s VAL 139 CO -0.05 0.57 1.32 0.25 -0.31 0.00 0.00 175.10 176.88 1i0i h LEU 140 N 6.12 -0.13 -8.55 1.32 5.85 -1.01 -1.98 115.31 116.94 1i0i h LEU 140 Ca -0.31 -0.29 -0.66 0.00 0.84 0.00 0.00 57.88 57.45 1i0i h LEU 140 Cb 1.18 0.03 -0.30 0.00 0.37 0.00 0.00 40.66 41.95 1i0i h LEU 140 CO 0.48 0.24 -0.88 -0.76 -0.34 0.00 0.00 178.44 177.18 1i0i s LEU 141 N -9.48 2.05 -0.10 2.25 1.43 0.38 -1.77 118.68 113.45 1i0i s LEU 141 Ca -0.15 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1i0i s LEU 141 Cb 0.02 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1i0i s LEU 141 CO 0.62 0.29 -0.07 -0.62 0.23 0.00 0.00 176.35 176.80 1i0i s ASP 142 N -0.58 2.02 -1.13 2.29 2.15 -0.26 -1.18 116.67 119.98 1i0i s ASP 142 Ca 0.09 -0.27 -0.08 0.00 0.43 0.00 0.00 52.55 52.72 1i0i s ASP 142 Cb -0.09 -0.78 0.27 0.00 -0.30 0.00 0.00 42.92 42.01 1i0i s ASP 142 CO -0.01 -0.10 1.31 0.29 -0.17 0.00 0.00 175.17 176.48 1i0i n LYS 143 N 4.78 3.80 -0.27 4.34 5.02 -0.32 -0.63 118.16 134.88 1i0i n LYS 143 Ca -0.14 -4.36 0.05 0.00 -2.02 0.00 0.00 58.31 51.84 1i0i n LYS 143 Cb 0.50 -2.62 0.11 0.00 -0.02 0.00 0.00 35.03 33.01 1i0i n LYS 143 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1i0i n ARG 144 N 2.70 -0.07 -0.15 1.97 1.74 -1.26 -1.11 116.66 120.48 1i0i n ARG 144 Ca 0.27 1.16 0.04 0.00 -0.77 0.00 0.00 57.85 58.54 1i0i n ARG 144 Cb 0.38 -1.74 0.11 0.00 -1.02 0.00 0.00 32.46 30.19 1i0i n ARG 144 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1i0i n GLU 145 N -5.20 1.68 -0.26 5.56 1.02 -1.26 -4.11 120.64 118.07 1i0i n GLU 145 Ca 0.12 -0.90 0.12 0.00 -0.02 0.00 0.00 57.16 56.48 1i0i n GLU 145 Cb 0.39 -1.28 0.26 0.00 -0.02 0.00 0.00 31.44 30.79 1i0i n GLU 145 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i0i n GLY 146 N 0.77 1.97 3.78 0.62 0.00 -0.27 -5.01 105.19 107.05 1i0i n GLY 146 Ca 0.08 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1i0i n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i0i s ARG 147 N -1.32 4.08 -0.05 1.61 1.81 -1.02 -3.23 118.95 120.83 1i0i s ARG 147 Ca 0.43 2.49 0.08 0.00 -1.72 0.00 0.00 55.73 57.01 1i0i s ARG 147 Cb 0.24 -2.93 -0.11 0.00 -0.45 0.00 0.00 34.95 31.69 1i0i s ARG 147 CO 0.32 -0.52 0.09 0.54 -0.68 0.00 0.00 175.30 175.05 1i0i n ARG 148 N 0.41 1.71 -3.92 3.54 5.12 -0.34 -4.93 116.66 118.24 1i0i n ARG 148 Ca 0.01 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.78 1i0i n ARG 148 Cb 0.40 -1.21 -0.13 0.00 -1.16 0.00 0.00 32.46 30.36 1i0i n ARG 148 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i0i s VAL 149 N -2.36 0.07 0.32 1.55 0.11 -1.06 -5.09 120.40 113.94 1i0i s VAL 149 Ca -0.04 -0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 58.51 1i0i s VAL 149 Cb 0.04 -0.10 -0.10 0.00 -1.53 0.00 0.00 36.38 34.68 1i0i s VAL 149 CO 0.35 -0.09 1.28 -2.16 -3.33 0.00 0.00 175.10 171.14 1i0i s PRO 150 N -0.32 4.39 -0.29 1.54 0.04 -1.26 -4.59 135.00 134.51 1i0i s PRO 150 Ca -0.03 2.16 -0.14 0.00 0.04 0.00 0.00 61.00 63.02 1i0i s PRO 150 Cb -0.02 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.52 1i0i s PRO 150 CO -0.00 -0.14 0.70 0.12 0.04 0.00 0.00 177.00 177.71 1i0i s PHE 151 N -1.09 -1.11 -0.28 0.56 5.36 -1.26 -4.97 117.98 115.19 1i0i s PHE 151 Ca 0.49 2.13 0.02 0.00 -0.96 0.00 0.00 56.93 58.61 1i0i s PHE 151 Cb -0.39 0.67 0.06 0.00 -0.34 0.00 0.00 43.02 43.02 1i0i s PHE 151 CO 0.51 -0.55 -0.07 0.45 -1.46 0.00 0.00 175.22 174.10 1i0i s SER 152 N 1.95 4.56 0.58 6.13 0.15 -1.26 -5.07 113.70 120.74 1i0i s SER 152 Ca -0.09 -1.48 -0.18 0.00 0.70 0.00 0.00 55.95 54.91 1i0i s SER 152 Cb -0.07 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.62 1i0i s SER 152 CO -0.19 -0.23 1.11 0.00 1.20 0.00 0.00 173.24 175.13 1i0i s ALA 153 N 1.10 2.64 0.14 5.45 0.00 -1.26 -4.97 121.76 124.86 1i0i s ALA 153 Ca -0.06 0.69 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1i0i s ALA 153 Cb -0.20 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.53 1i0i s ALA 153 CO -0.05 -0.90 1.33 -0.44 0.00 0.00 0.00 175.76 175.70 1i0i h ASP 154 N 0.79 0.38 -3.53 0.00 3.32 -1.50 -3.44 116.42 112.44 1i0i h ASP 154 Ca -0.49 -0.32 -0.39 0.00 0.02 0.00 0.00 57.03 55.86 1i0i h ASP 154 Cb 1.25 -0.12 -0.33 0.00 0.22 0.00 0.00 39.33 40.35 1i0i h ASP 154 CO 0.56 1.12 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.13 1i0i s TYR 155 N -3.19 0.64 -0.10 4.55 1.51 -0.52 -5.01 117.35 115.23 1i0i s TYR 155 Ca -0.04 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1i0i s TYR 155 Cb 0.09 -0.58 0.01 0.00 -0.11 0.00 0.00 41.96 41.38 1i0i s TYR 155 CO 0.85 -0.15 -0.15 0.08 -1.11 0.00 0.00 175.55 175.06 1i0i s VAL 156 N 0.78 1.48 0.07 0.71 1.01 -1.26 -1.02 120.40 122.18 1i0i s VAL 156 Ca -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 1i0i s VAL 156 Cb -0.13 -1.34 -0.28 0.00 0.00 0.00 0.00 36.38 34.63 1i0i s VAL 156 CO -0.00 0.44 1.13 0.58 0.00 0.00 0.00 175.10 177.24 1i0i h VAL 157 N 5.94 1.48 -1.82 2.92 2.07 -1.16 -3.48 116.25 122.20 1i0i h VAL 157 Ca -0.30 -3.07 0.00 0.00 0.82 0.00 0.00 66.70 64.16 1i0i h VAL 157 Cb 1.18 2.93 -0.22 0.00 -1.52 0.00 0.00 31.29 33.66 1i0i h VAL 157 CO 0.48 0.89 0.29 0.00 0.02 0.00 0.00 177.57 179.26 1i0i s ALA 158 N -2.66 -1.86 0.10 1.67 0.00 -0.73 -5.03 121.76 113.26 1i0i s ALA 158 Ca -0.04 1.79 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1i0i s ALA 158 Cb 0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1i0i s ALA 158 CO 0.88 -0.31 0.43 -0.80 0.00 0.00 0.00 175.76 175.95 1i0i s ASN 159 N -0.17 6.65 0.12 0.00 0.02 -1.26 -1.10 114.94 119.20 1i0i s ASN 159 Ca -0.01 0.82 -0.05 0.00 -1.02 0.00 0.00 52.86 52.60 1i0i s ASN 159 Cb -0.03 -2.19 -0.02 0.00 0.02 0.00 0.00 41.25 39.02 1i0i s ASN 159 CO 0.01 0.14 0.13 0.27 0.02 0.00 0.00 177.10 177.66 1i0i s ILE 160 N -1.45 0.12 0.80 0.60 -4.36 0.20 -4.87 121.20 112.24 1i0i s ILE 160 Ca 0.35 -1.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.02 1i0i s ILE 160 Cb -0.14 -1.76 0.07 0.00 1.25 0.00 0.00 42.46 41.88 1i0i s ILE 160 CO 0.19 -0.56 1.09 -2.84 0.24 0.00 0.00 174.94 173.06 1i0i s PRO 161 N -3.97 2.07 0.00 0.37 0.02 -1.26 -4.34 135.00 127.89 1i0i s PRO 161 Ca 0.15 0.92 0.08 0.00 0.02 0.00 0.00 61.00 62.17 1i0i s PRO 161 Cb 0.06 -1.89 0.48 0.00 0.02 0.00 0.00 34.50 33.17 1i0i s PRO 161 CO -0.03 -1.70 0.90 0.09 -0.33 0.00 0.00 177.00 175.93 1i0i n ASN 162 N -3.53 0.00 -4.73 2.53 3.02 -1.26 -4.84 115.26 106.45 1i0i n ASN 162 Ca 0.08 -0.55 -0.31 0.00 -0.03 0.00 0.00 54.58 53.76 1i0i n ASN 162 Cb 0.54 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.83 1i0i n ASN 162 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1i0i s ALA 163 N -2.00 1.97 -0.44 5.41 0.00 -1.26 -4.95 121.76 120.49 1i0i s ALA 163 Ca 0.12 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1i0i s ALA 163 Cb 0.06 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1i0i s ALA 163 CO 0.09 -2.13 1.16 0.12 0.00 0.00 0.00 175.76 175.00 1i0i s PHE 164 N -2.81 2.83 0.02 0.00 5.36 -1.26 -5.02 117.98 117.09 1i0i s PHE 164 Ca 0.63 0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 57.36 1i0i s PHE 164 Cb -0.19 -4.27 -0.04 0.00 -0.34 0.00 0.00 43.02 38.17 1i0i s PHE 164 CO 0.57 -1.26 0.24 0.14 -1.46 0.00 0.00 175.22 173.45 1i0i s VAL 165 N 4.40 5.35 0.16 3.12 -7.23 -1.26 -1.64 120.40 123.29 1i0i s VAL 165 Ca 0.49 -0.03 -0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1i0i s VAL 165 Cb -0.09 -3.57 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 1i0i s VAL 165 CO 0.29 0.29 0.05 0.27 -0.31 0.00 0.00 175.10 175.69 1i0i s ILE 166 N -1.37 0.25 0.00 -0.62 -4.36 0.82 -4.62 121.20 111.30 1i0i s ILE 166 Ca 0.30 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 1i0i s ILE 166 Cb -0.13 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.43 1i0i s ILE 166 CO 0.19 -0.38 0.00 0.61 0.24 0.00 0.00 174.94 175.60 1i0i n GLY 167 N -0.17 1.96 3.89 6.27 0.00 -0.34 -0.28 105.19 116.51 1i0i n GLY 167 Ca -0.04 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 1i0i n GLY 167 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1i0i n TYR 168 N 1.84 -2.04 0.00 1.61 9.36 -0.28 -1.55 117.16 126.09 1i0i n TYR 168 Ca 0.00 0.85 0.00 0.00 3.32 0.00 0.00 57.90 62.07 1i0i n TYR 168 Cb 0.00 -3.96 0.00 0.00 -0.63 0.00 0.00 39.34 34.75 1i0i n TYR 168 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1i0i n GLY 169 N -1.67 3.01 3.73 2.98 0.00 0.10 -4.54 105.19 108.80 1i0i n GLY 169 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1i0i n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i0i s LEU 170 N 0.00 4.50 0.38 0.99 1.43 -0.60 -4.23 118.68 121.15 1i0i s LEU 170 Ca 0.00 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1i0i s LEU 170 Cb 0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 1i0i s LEU 170 CO 0.00 -0.10 0.01 1.51 0.23 0.00 0.00 176.35 178.00 1i0i s ASP 171 N -0.08 3.44 -0.16 2.29 -4.77 -1.26 -1.20 116.67 114.93 1i0i s ASP 171 Ca 0.47 -1.35 -0.03 0.00 -3.30 0.00 0.00 52.55 48.35 1i0i s ASP 171 Cb -0.25 -0.31 0.05 0.00 -1.09 0.00 0.00 42.92 41.32 1i0i s ASP 171 CO 0.31 -0.46 0.04 -0.47 0.70 0.00 0.00 175.17 175.29 1i0i s TYR 172 N -2.86 0.73 -1.35 2.11 5.04 -1.06 -4.81 117.35 115.15 1i0i s TYR 172 Ca 0.35 -0.56 -0.06 0.00 -2.44 0.00 0.00 57.07 54.35 1i0i s TYR 172 Cb 0.09 -0.89 0.02 0.00 0.35 0.00 0.00 41.96 41.53 1i0i s TYR 172 CO 0.17 -0.52 1.00 -3.47 -1.34 0.00 0.00 175.55 171.39 1i0i n ASP 173 N 5.13 -3.92 -3.92 4.32 2.03 -1.26 -2.16 116.55 116.77 1i0i n ASP 173 Ca -0.08 -0.67 -0.29 0.00 0.52 0.00 0.00 54.79 54.27 1i0i n ASP 173 Cb 0.48 -4.61 0.02 0.00 -0.72 0.00 0.00 41.12 36.29 1i0i n ASP 173 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1i0i n ASP 174 N -3.01 -3.57 -4.08 1.67 10.43 -1.26 -4.97 116.55 111.75 1i0i n ASP 174 Ca -0.12 -0.84 -0.10 0.00 2.57 0.00 0.00 54.79 56.30 1i0i n ASP 174 Cb 0.60 -3.69 -0.11 0.00 1.84 0.00 0.00 41.12 39.77 1i0i n ASP 174 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1i0i s THR 175 N -3.42 0.42 0.00 -3.53 2.01 -0.92 -4.85 115.64 105.35 1i0i s THR 175 Ca 0.50 -1.45 0.00 0.00 0.31 0.00 0.00 61.69 61.05 1i0i s THR 175 Cb -0.26 -1.04 0.00 0.00 0.01 0.00 0.00 72.50 71.21 1i0i s THR 175 CO 0.85 -0.69 0.00 -1.22 -0.69 0.00 0.00 174.62 172.87 1i0i n TYR 176 N 0.76 0.00 0.22 4.92 4.02 -1.26 -2.56 117.16 123.26 1i0i n TYR 176 Ca -0.18 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.87 1i0i n TYR 176 Cb 0.58 -0.34 0.82 0.00 -0.02 0.00 0.00 39.34 40.38 1i0i n TYR 176 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1i0i h ARG 177 N 2.14 0.00 0.00 -0.72 3.08 -1.85 -2.79 114.38 114.24 1i0i h ARG 177 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1i0i h ARG 177 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1i0i h ARG 177 CO 0.00 0.00 0.00 1.05 -1.07 0.00 0.00 179.97 179.95 1i0i h GLU 178 N 0.00 0.00 -6.79 0.04 9.09 -1.90 0.29 114.58 115.31 1i0i h GLU 178 Ca 0.07 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.91 1i0i h GLU 178 Cb 0.38 0.00 0.17 0.00 -1.65 0.00 0.00 28.75 27.65 1i0i h GLU 178 CO -0.00 0.00 0.04 1.28 0.05 0.00 0.00 179.01 180.38 1i0i n LEU 179 N -2.44 3.30 0.13 3.06 4.77 -1.07 -4.76 117.00 120.00 1i0i n LEU 179 Ca 0.05 0.79 0.06 0.00 -0.03 0.00 0.00 56.01 56.87 1i0i n LEU 179 Cb 0.42 -1.36 0.03 0.00 -2.33 0.00 0.00 43.42 40.19 1i0i n LEU 179 CO 0.30 -2.06 0.31 0.03 -1.33 0.00 0.00 177.39 174.64 1i0i h ARG 180 N 0.40 0.00 -6.09 3.23 3.08 -1.92 -0.73 114.38 112.35 1i0i h ARG 180 Ca -0.48 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 1i0i h ARG 180 Cb 1.37 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.33 1i0i h ARG 180 CO 0.50 0.23 -0.57 -0.51 -1.07 0.00 0.00 179.97 178.55 1i0i s ASP 181 N -6.04 4.54 -0.26 7.04 1.01 -1.26 -3.68 116.67 118.03 1i0i s ASP 181 Ca 0.02 -0.81 -0.10 0.00 0.71 0.00 0.00 52.55 52.37 1i0i s ASP 181 Cb 0.08 -0.69 -0.05 0.00 1.01 0.00 0.00 42.92 43.26 1i0i s ASP 181 CO 0.75 -0.25 0.16 -0.63 0.21 0.00 0.00 175.17 175.41 1i0i s ILE 182 N -2.44 5.25 0.21 0.77 1.01 0.03 -3.70 121.20 122.34 1i0i s ILE 182 Ca 0.36 0.15 0.06 0.00 0.00 0.00 0.00 60.65 61.22 1i0i s ILE 182 Cb -0.02 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1i0i s ILE 182 CO 0.21 0.31 -0.08 0.68 0.00 0.00 0.00 174.94 176.06 1i0i s VAL 183 N 1.37 1.42 -0.31 2.92 -7.23 0.62 -0.12 120.40 119.08 1i0i s VAL 183 Ca 0.07 -2.12 -0.19 0.00 -1.81 0.00 0.00 61.98 57.93 1i0i s VAL 183 Cb -0.15 -2.15 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1i0i s VAL 183 CO 0.07 -0.51 0.58 -0.69 -0.31 0.00 0.00 175.10 174.24 1i0i s VAL 184 N -3.17 4.98 0.09 1.32 1.01 0.95 -0.13 120.40 125.46 1i0i s VAL 184 Ca 0.24 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1i0i s VAL 184 Cb 0.02 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1i0i s VAL 184 CO 0.07 -0.11 1.19 -0.22 0.00 0.00 0.00 175.10 176.03 1i0i s LEU 185 N 2.50 4.40 0.18 3.92 2.96 -0.65 0.32 118.68 132.30 1i0i s LEU 185 Ca 0.23 2.06 -0.31 0.00 -0.22 0.00 0.00 54.13 55.89 1i0i s LEU 185 Cb -0.15 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 1i0i s LEU 185 CO 0.12 -0.42 1.48 -0.13 -1.32 0.00 0.00 176.35 176.08 1i0i s ARG 186 N 0.68 4.26 0.48 1.98 0.52 -0.04 -4.72 118.95 122.12 1i0i s ARG 186 Ca 0.57 2.27 0.19 0.00 -0.52 0.00 0.00 55.73 58.24 1i0i s ARG 186 Cb -0.30 -3.17 1.20 0.00 0.52 0.00 0.00 34.95 33.20 1i0i s ARG 186 CO 0.31 -0.51 1.97 -1.35 0.02 0.00 0.00 175.30 175.75 1i0i h PRO 187 N 6.29 0.22 -0.30 3.54 0.11 -1.94 -0.81 132.00 139.12 1i0i h PRO 187 Ca -0.43 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1i0i h PRO 187 Cb 1.21 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1i0i h PRO 187 CO 0.86 0.15 0.04 0.93 -0.21 0.00 0.00 178.00 179.77 1i0i h GLU 188 N 0.23 0.44 0.14 1.05 3.07 -1.97 0.14 114.58 117.68 1i0i h GLU 188 Ca 0.29 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 1i0i h GLU 188 Cb 0.83 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 1i0i h GLU 188 CO -0.06 0.43 -0.07 0.28 -1.40 0.00 0.00 179.01 178.20 1i0i h VAL 189 N 0.43 1.00 0.00 3.13 2.07 -1.50 -2.64 116.25 118.74 1i0i h VAL 189 Ca 0.10 -1.04 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 1i0i h VAL 189 Cb 0.22 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1i0i h VAL 189 CO 0.00 0.23 -0.41 0.10 0.02 0.00 0.00 177.57 177.50 1i0i h TYR 190 N -0.72 0.00 -0.47 1.57 -0.00 -1.42 -2.67 116.97 113.26 1i0i h TYR 190 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.59 1i0i h TYR 190 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.23 1i0i h TYR 190 CO 0.08 0.41 -0.18 0.00 -0.00 0.00 0.00 178.16 178.47 1i0i h ALA 191 N 1.59 0.80 -0.62 0.10 0.00 -0.78 0.55 119.26 120.90 1i0i h ALA 191 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1i0i h ALA 191 Cb 0.75 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1i0i h ALA 191 CO 0.05 0.66 0.19 1.49 0.00 0.00 0.00 179.25 181.64 1i0i h GLU 192 N 0.80 0.97 -0.06 0.00 4.81 -1.30 0.15 114.58 119.95 1i0i h GLU 192 Ca 0.11 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1i0i h GLU 192 Cb 0.73 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 1i0i h GLU 192 CO 0.06 0.86 -0.03 0.00 -0.73 0.00 0.00 179.01 179.16 1i0i h ARG 193 N 0.89 0.13 -0.65 1.92 3.08 -1.13 0.17 114.38 118.80 1i0i h ARG 193 Ca 0.20 -0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.27 1i0i h ARG 193 Cb 0.30 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 1i0i h ARG 193 CO -0.01 0.52 0.31 0.93 -1.07 0.00 0.00 179.97 180.66 1i0i h GLU 194 N -0.26 0.53 0.48 0.04 4.39 0.24 0.18 114.58 120.19 1i0i h GLU 194 Ca 0.01 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 1i0i h GLU 194 Cb 0.48 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1i0i h GLU 194 CO 0.01 0.35 -0.23 0.00 -1.16 0.00 0.00 179.01 177.98 1i0i h ALA 195 N 1.40 -0.65 -0.38 3.43 0.00 -0.58 -0.89 119.26 121.60 1i0i h ALA 195 Ca 0.32 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1i0i h ALA 195 Cb 0.33 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1i0i h ALA 195 CO -0.26 -0.85 0.26 0.00 0.00 0.00 0.00 179.25 178.41 1i0i h ALA 196 N -0.16 2.09 0.00 0.00 0.00 -0.40 0.16 119.26 120.95 1i0i h ALA 196 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1i0i h ALA 196 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1i0i h ALA 196 CO 0.11 -0.17 -0.53 0.00 0.00 0.00 0.00 179.25 178.66 1i0i h ARG 197 N 0.21 0.00 -0.01 0.00 3.08 -0.28 -3.51 114.38 113.87 1i0i h ARG 197 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1i0i h ARG 197 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1i0i h ARG 197 CO -0.03 0.53 0.00 0.41 -1.07 0.00 0.00 179.97 179.81