#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 0.04 -0.00 -0.72 9.09 -2.04 -1.29 114.58 119.66 1i0i h GLU 6 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1i0i h GLU 6 Cb 0.00 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.09 1i0i h GLU 6 CO 0.00 0.03 -0.00 1.97 0.05 0.00 0.00 179.01 181.05 1i0i n PHE 7 N -4.46 0.00 -4.58 2.06 1.16 -1.26 -4.84 117.46 105.54 1i0i n PHE 7 Ca 0.04 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.28 1i0i n PHE 7 Cb 0.34 -0.02 -0.12 0.00 -1.61 0.00 0.00 39.48 38.07 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 -2.05 2.93 -0.44 1.98 0.00 -0.49 -1.27 121.76 122.42 1i0i s ALA 8 Ca 0.45 -0.87 0.23 0.00 0.00 0.00 0.00 51.96 51.77 1i0i s ALA 8 Cb 0.22 -1.33 0.25 0.00 0.00 0.00 0.00 23.12 22.26 1i0i s ALA 8 CO 0.37 0.41 1.33 1.05 0.00 0.00 0.00 175.76 178.92 1i0i h GLU 9 N 5.94 0.00 -1.70 0.00 4.11 -0.96 -3.44 114.58 118.52 1i0i h GLU 9 Ca -0.39 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.15 1i0i h GLU 9 Cb 1.18 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.23 1i0i h GLU 9 CO 0.56 0.00 0.58 0.21 0.07 0.00 0.00 179.01 180.43 1i0i s LYS 10 N -3.25 0.59 -0.22 1.06 2.20 -1.23 -4.99 119.74 113.90 1i0i s LYS 10 Ca 0.04 0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.50 1i0i s LYS 10 Cb 0.10 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 1i0i s LYS 10 CO 0.72 -0.21 0.41 0.42 -0.36 0.00 0.00 175.35 176.33 1i0i s ILE 11 N -1.72 5.18 -0.12 5.43 -1.09 -1.26 -0.22 121.20 127.40 1i0i s ILE 11 Ca 0.01 0.70 -0.08 0.00 -2.23 0.00 0.00 60.65 59.06 1i0i s ILE 11 Cb -0.01 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1i0i s ILE 11 CO -0.02 0.22 -0.15 -0.07 -1.23 0.00 0.00 174.94 173.69 1i0i h LEU 12 N 7.86 0.00 -7.64 2.97 3.38 -1.23 -3.48 115.31 117.17 1i0i h LEU 12 Ca -0.35 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.31 1i0i h LEU 12 Cb 1.16 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.59 1i0i h LEU 12 CO 0.71 0.66 -0.74 -0.36 0.09 0.00 0.00 178.44 178.80 1i0i s PHE 13 N -2.08 0.20 0.66 1.13 0.40 -0.79 -5.01 117.98 112.49 1i0i s PHE 13 Ca -0.13 0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.12 1i0i s PHE 13 Cb 0.02 -0.28 -0.01 0.00 0.51 0.00 0.00 43.02 43.26 1i0i s PHE 13 CO 0.19 -0.08 1.05 0.95 0.70 0.00 0.00 175.22 178.02 1i0i s THR 14 N 0.71 4.00 0.28 0.64 -4.23 -1.26 -0.94 115.64 114.83 1i0i s THR 14 Ca -0.07 0.58 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1i0i s THR 14 Cb -0.10 -3.63 0.26 0.00 1.34 0.00 0.00 72.50 70.38 1i0i s THR 14 CO -0.02 -0.81 1.74 -0.08 -0.54 0.00 0.00 174.62 174.91 1i0i h GLU 15 N -0.46 0.56 -0.01 3.99 4.81 -1.95 -0.88 114.58 120.63 1i0i h GLU 15 Ca -0.45 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1i0i h GLU 15 Cb 1.23 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1i0i h GLU 15 CO 0.63 0.37 0.01 0.93 -0.73 0.00 0.00 179.01 180.21 1i0i h GLU 16 N 0.57 0.01 -0.70 1.92 3.07 -1.92 0.24 114.58 117.77 1i0i h GLU 16 Ca 0.51 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1i0i h GLU 16 Cb 0.82 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 1i0i h GLU 16 CO -0.42 0.11 0.44 0.93 -1.40 0.00 0.00 179.01 178.67 1i0i h GLU 17 N -0.09 0.94 -0.01 2.33 5.08 -1.74 -1.35 114.58 119.74 1i0i h GLU 17 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1i0i h GLU 17 Cb 0.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1i0i h GLU 17 CO -0.00 0.66 0.00 0.82 -1.00 0.00 0.00 179.01 179.49 1i0i h ILE 18 N 0.96 0.99 -0.47 3.13 2.04 -0.98 -2.55 117.51 120.63 1i0i h ILE 18 Ca 0.25 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.20 1i0i h ILE 18 Cb -0.06 0.98 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1i0i h ILE 18 CO -0.05 0.00 -0.06 -0.09 0.00 0.00 0.00 178.15 177.95 1i0i h ARG 19 N 0.01 0.05 -0.25 2.37 2.43 -0.51 -1.54 114.38 116.93 1i0i h ARG 19 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1i0i h ARG 19 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1i0i h ARG 19 CO -0.01 0.03 0.11 1.15 -1.51 0.00 0.00 179.97 179.74 1i0i h THR 20 N 0.05 1.16 -0.73 0.20 2.02 -1.15 -2.74 112.91 111.72 1i0i h THR 20 Ca 0.23 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 1i0i h THR 20 Cb 0.35 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1i0i h THR 20 CO -0.44 0.16 0.23 0.03 0.37 0.00 0.00 175.52 175.87 1i0i h ARG 21 N 0.26 1.12 -0.60 6.66 3.08 -1.16 -2.06 114.38 121.68 1i0i h ARG 21 Ca 0.08 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1i0i h ARG 21 Cb 0.15 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1i0i h ARG 21 CO -0.01 0.95 0.25 0.82 -1.07 0.00 0.00 179.97 180.91 1i0i h ILE 22 N 1.08 1.21 -0.36 2.04 2.04 -1.23 -0.62 117.51 121.67 1i0i h ILE 22 Ca 0.24 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1i0i h ILE 22 Cb 0.29 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1i0i h ILE 22 CO -0.01 0.25 0.13 0.11 0.00 0.00 0.00 178.15 178.64 1i0i h LYS 23 N 0.85 0.54 -0.46 2.37 1.57 -1.11 0.20 116.57 120.52 1i0i h LYS 23 Ca 0.20 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1i0i h LYS 23 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 1i0i h LYS 23 CO -0.02 0.54 0.30 0.93 -0.57 0.00 0.00 179.45 180.63 1i0i h GLU 24 N 0.43 0.62 -0.56 3.15 5.08 -0.88 0.69 114.58 123.11 1i0i h GLU 24 Ca 0.12 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1i0i h GLU 24 Cb 0.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1i0i h GLU 24 CO -0.01 0.42 0.14 0.28 -1.00 0.00 0.00 179.01 178.84 1i0i h VAL 25 N 0.63 1.25 -0.64 3.13 2.07 -0.96 -1.42 116.25 120.30 1i0i h VAL 25 Ca 0.17 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1i0i h VAL 25 Cb -0.06 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1i0i h VAL 25 CO -0.04 0.32 0.21 0.00 0.02 0.00 0.00 177.57 178.08 1i0i h ALA 26 N 1.02 1.16 -0.32 1.67 0.00 -0.18 0.12 119.26 122.72 1i0i h ALA 26 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1i0i h ALA 26 Cb 0.34 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i0i h ALA 26 CO 0.00 0.59 -0.26 1.57 0.00 0.00 0.00 179.25 181.15 1i0i h LYS 27 N 0.94 0.65 0.32 0.00 2.10 -0.64 -1.14 116.57 118.80 1i0i h LYS 27 Ca 0.21 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1i0i h LYS 27 Cb 0.26 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1i0i h LYS 27 CO -0.01 0.85 -0.15 0.07 -2.00 0.00 0.00 179.45 178.20 1i0i h ARG 28 N 0.56 -0.41 -0.55 0.07 -0.00 -0.45 -1.42 114.38 112.18 1i0i h ARG 28 Ca 0.08 0.03 0.08 0.00 -0.00 0.00 0.00 59.98 60.17 1i0i h ARG 28 Cb 0.74 0.09 -0.07 0.00 -0.00 0.00 0.00 29.97 30.74 1i0i h ARG 28 CO 0.06 -0.17 0.19 0.82 -0.00 0.00 0.00 179.97 180.87 1i0i h ILE 29 N -0.60 0.79 -0.02 0.08 2.04 -0.70 -0.54 117.51 118.57 1i0i h ILE 29 Ca -0.04 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1i0i h ILE 29 Cb 0.43 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1i0i h ILE 29 CO 0.07 0.07 -0.23 0.00 0.00 0.00 0.00 178.15 178.06 1i0i h ALA 30 N 1.38 -0.29 -0.60 1.87 0.00 -1.06 -1.57 119.26 119.00 1i0i h ALA 30 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1i0i h ALA 30 Cb 0.32 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1i0i h ALA 30 CO -0.28 -0.72 0.39 -0.44 0.00 0.00 0.00 179.25 178.19 1i0i h ASP 31 N -0.35 0.66 -0.02 0.00 3.45 -0.72 -1.35 116.42 118.08 1i0i h ASP 31 Ca 0.07 -0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.52 1i0i h ASP 31 Cb 0.44 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1i0i h ASP 31 CO -0.22 0.47 0.02 0.44 -1.57 0.00 0.00 179.24 178.38 1i0i h ASP 32 N 0.78 0.00 -0.28 6.45 5.19 -0.61 -2.06 116.42 125.90 1i0i h ASP 32 Ca 0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1i0i h ASP 32 Cb -0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.45 1i0i h ASP 32 CO -0.06 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.84 1i0i n TYR 33 N -4.48 0.35 -0.33 4.55 4.02 -0.64 -4.65 117.16 115.98 1i0i n TYR 33 Ca -0.02 -0.19 0.23 0.00 -0.01 0.00 0.00 57.90 57.91 1i0i n TYR 33 Cb 0.11 -0.00 0.46 0.00 -0.02 0.00 0.00 39.34 39.89 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 4.18 0.28 -0.02 -0.72 1.57 -0.51 -0.08 116.57 121.28 1i0i h LYS 34 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i0i h LYS 34 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1i0i h LYS 34 CO 0.00 0.19 -0.17 0.41 -0.57 0.00 0.00 179.45 179.31 1i0i n GLY 35 N -1.30 0.06 0.00 3.86 0.00 -1.26 -4.41 105.19 102.13 1i0i n GLY 35 Ca 0.31 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 0.16 0.48 -3.42 1.61 4.76 -0.04 -4.91 118.16 116.79 1i0i n LYS 36 Ca 0.14 0.05 -0.19 0.00 -2.87 0.00 0.00 58.31 55.44 1i0i n LYS 36 Cb 0.43 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.20 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 0.40 -0.37 3.73 0.72 0.00 -1.26 -4.96 105.19 103.45 1i0i n GLY 37 Ca 0.13 0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.45 4.41 -0.06 0.99 1.43 -1.26 -4.87 118.68 112.86 1i0i s LEU 38 Ca 0.24 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.60 1i0i s LEU 38 Cb -0.10 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1i0i s LEU 38 CO 0.68 -0.55 0.25 -0.13 0.23 0.00 0.00 176.35 176.84 1i0i s ARG 39 N 0.18 0.42 0.91 1.70 1.81 0.34 -4.84 118.95 119.47 1i0i s ARG 39 Ca 0.58 0.11 -0.11 0.00 -1.72 0.00 0.00 55.73 54.60 1i0i s ARG 39 Cb -0.36 0.19 0.14 0.00 -0.45 0.00 0.00 34.95 34.47 1i0i s ARG 39 CO 0.36 -0.08 1.12 -1.25 -0.68 0.00 0.00 175.30 174.76 1i0i s PRO 40 N -0.45 1.06 0.00 3.54 0.04 -1.26 -0.27 135.00 137.65 1i0i s PRO 40 Ca -0.06 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1i0i s PRO 40 Cb -0.04 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1i0i s PRO 40 CO 0.01 -2.53 0.00 0.66 0.04 0.00 0.00 177.00 175.19 1i0i n TYR 41 N -4.14 0.00 0.07 0.56 4.02 -1.26 -3.98 117.16 112.43 1i0i n TYR 41 Ca 0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.77 1i0i n TYR 41 Cb 0.53 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.70 1i0i n TYR 41 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1i0i h VAL 42 N 0.00 0.93 -1.74 -0.72 -1.51 -2.02 -3.43 116.25 107.76 1i0i h VAL 42 Ca 0.00 -2.54 -0.47 0.00 -1.23 0.00 0.00 66.70 62.47 1i0i h VAL 42 Cb 0.00 2.74 -0.36 0.00 -2.13 0.00 0.00 31.29 31.53 1i0i h VAL 42 CO 0.00 0.85 -1.08 -3.20 -1.23 0.00 0.00 177.57 172.91 1i0i n ASN 43 N -3.56 0.22 -4.91 4.19 5.15 0.63 -4.98 115.26 112.00 1i0i n ASN 43 Ca -0.24 -3.00 -0.27 0.00 -0.60 0.00 0.00 54.58 50.47 1i0i n ASN 43 Cb 1.07 -0.29 0.01 0.00 -0.53 0.00 0.00 39.78 40.04 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 -1.74 3.31 -0.32 1.20 0.04 -0.78 -0.50 135.00 136.21 1i0i s PRO 44 Ca 0.37 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 1i0i s PRO 44 Cb 0.29 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 32.48 1i0i s PRO 44 CO -0.09 -0.35 1.06 -1.17 0.04 0.00 0.00 177.00 176.48 1i0i s LEU 45 N -4.79 3.94 -0.25 -3.56 2.96 -0.05 -4.28 118.68 112.65 1i0i s LEU 45 Ca 0.49 1.02 -0.25 0.00 -0.22 0.00 0.00 54.13 55.17 1i0i s LEU 45 Cb -0.10 -3.51 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1i0i s LEU 45 CO 0.44 -0.87 0.86 -0.69 -1.32 0.00 0.00 176.35 174.78 1i0i s VAL 46 N 3.61 4.79 -0.27 1.68 1.01 -0.04 -1.03 120.40 130.15 1i0i s VAL 46 Ca 0.45 1.59 -0.14 0.00 0.00 0.00 0.00 61.98 63.88 1i0i s VAL 46 Cb -0.12 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1i0i s VAL 46 CO 0.15 -0.13 0.31 -0.76 0.00 0.00 0.00 175.10 174.68 1i0i s LEU 47 N 2.94 4.04 -0.56 3.92 1.43 0.26 -0.67 118.68 130.04 1i0i s LEU 47 Ca 0.36 0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 1i0i s LEU 47 Cb -0.15 -2.33 0.14 0.00 0.03 0.00 0.00 46.19 43.89 1i0i s LEU 47 CO 0.08 -0.14 0.44 -0.63 0.23 0.00 0.00 176.35 176.33 1i0i s ILE 48 N 1.97 4.45 -0.15 -0.59 1.01 -0.36 -0.54 121.20 126.99 1i0i s ILE 48 Ca 0.12 -2.05 -0.29 0.00 0.00 0.00 0.00 60.65 58.43 1i0i s ILE 48 Cb -0.16 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 1i0i s ILE 48 CO 0.10 -0.84 1.15 -0.55 0.00 0.00 0.00 174.94 174.80 1i0i s SER 49 N 2.37 7.05 -0.46 3.58 0.15 -0.33 -0.00 113.70 126.06 1i0i s SER 49 Ca 0.09 1.61 -0.21 0.00 0.70 0.00 0.00 55.95 58.14 1i0i s SER 49 Cb -0.23 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.56 1i0i s SER 49 CO -0.02 -0.66 0.69 -0.69 1.20 0.00 0.00 173.24 173.76 1i0i s VAL 50 N 2.95 4.77 0.62 4.45 1.01 -0.61 -1.47 120.40 132.12 1i0i s VAL 50 Ca 0.51 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.41 1i0i s VAL 50 Cb -0.20 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1i0i s VAL 50 CO 0.14 -0.69 1.16 -0.76 0.00 0.00 0.00 175.10 174.95 1i0i s LEU 51 N 2.96 3.55 -0.10 3.92 1.43 -0.39 -3.18 118.68 126.87 1i0i s LEU 51 Ca 0.23 2.21 0.18 0.00 -1.03 0.00 0.00 54.13 55.72 1i0i s LEU 51 Cb -0.14 -4.58 -0.26 0.00 0.03 0.00 0.00 46.19 41.23 1i0i s LEU 51 CO 0.19 -1.61 0.25 0.29 0.23 0.00 0.00 176.35 175.69 1i0i n LYS 52 N -1.95 0.81 -0.27 1.70 5.02 -1.26 -4.66 118.16 117.54 1i0i n LYS 52 Ca 0.12 -0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.44 1i0i n LYS 52 Cb 0.51 -1.46 0.39 0.00 -0.02 0.00 0.00 35.03 34.44 1i0i n LYS 52 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1i0i h GLY 53 N 3.56 1.21 1.13 0.72 0.00 -1.74 -2.14 103.07 105.81 1i0i h GLY 53 Ca -0.23 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1i0i h GLY 53 CO 0.01 0.07 0.00 -1.14 0.00 0.00 0.00 176.54 175.48 1i0i n SER 54 N -4.57 0.00 -0.34 0.19 3.41 -1.19 -4.01 113.62 107.11 1i0i n SER 54 Ca 0.18 -0.69 0.12 0.00 -0.26 0.00 0.00 58.87 58.22 1i0i n SER 54 Cb 0.50 -0.07 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 1i0i n SER 54 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1i0i h PHE 55 N 0.00 1.01 0.16 7.33 -5.15 -1.64 0.21 116.94 118.86 1i0i h PHE 55 Ca 0.00 0.03 -0.23 0.00 -0.20 0.00 0.00 57.97 57.57 1i0i h PHE 55 Cb 0.06 -0.31 0.03 0.00 0.22 0.00 0.00 35.95 35.94 1i0i h PHE 55 CO 0.00 0.29 -0.99 1.98 -2.00 0.00 0.00 178.31 177.59 1i0i h MET 56 N 0.78 0.39 -0.70 6.09 4.05 -1.83 -2.67 114.93 121.05 1i0i h MET 56 Ca 0.54 -0.63 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1i0i h MET 56 Cb 0.81 0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 1i0i h MET 56 CO -0.31 1.29 0.46 0.35 0.23 0.00 0.00 176.91 178.93 1i0i h PHE 57 N -0.18 0.86 -0.49 1.39 3.57 -1.65 -2.40 116.94 118.05 1i0i h PHE 57 Ca -0.17 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1i0i h PHE 57 Cb 1.76 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.19 1i0i h PHE 57 CO 0.17 0.53 0.16 1.15 -2.23 0.00 0.00 178.31 178.09 1i0i h THR 58 N 0.92 1.23 -0.48 4.41 2.02 -0.66 0.21 112.91 120.56 1i0i h THR 58 Ca 0.26 -0.75 0.04 0.00 0.77 0.00 0.00 66.41 66.73 1i0i h THR 58 Cb -0.08 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1i0i h THR 58 CO -0.07 0.28 0.24 0.00 0.37 0.00 0.00 175.52 176.33 1i0i h ALA 59 N 1.01 0.60 -0.16 6.16 0.00 -1.13 -0.58 119.26 125.16 1i0i h ALA 59 Ca 0.16 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 1i0i h ALA 59 Cb 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1i0i h ALA 59 CO -0.01 -0.11 -0.73 -0.44 0.00 0.00 0.00 179.25 177.96 1i0i h ASP 60 N 0.47 0.87 0.04 0.00 3.32 -1.20 -3.22 116.42 116.70 1i0i h ASP 60 Ca 0.21 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.71 1i0i h ASP 60 Cb 0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.42 1i0i h ASP 60 CO -0.15 1.34 -0.02 0.25 -1.72 0.00 0.00 179.24 178.94 1i0i h LEU 61 N 0.52 -0.05 -1.87 1.55 5.85 -0.36 -2.15 115.31 118.80 1i0i h LEU 61 Ca -0.04 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.56 1i0i h LEU 61 Cb 1.34 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1i0i h LEU 61 CO 0.15 0.15 0.20 0.00 -0.34 0.00 0.00 178.44 178.60 1i0i h ARG 63 N 0.17 0.27 -0.28 0.00 3.08 -1.52 0.15 114.38 116.25 1i0i h ARG 63 Ca 0.13 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 1i0i h ARG 63 Cb 0.31 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1i0i h ARG 63 CO -0.02 0.88 -0.45 0.00 -1.07 0.00 0.00 179.97 179.31 1i0i h ALA 64 N 1.05 0.43 -0.55 0.04 0.00 -0.33 -1.95 119.26 117.96 1i0i h ALA 64 Ca -0.03 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1i0i h ALA 64 Cb 1.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1i0i h ALA 64 CO 0.11 0.58 0.06 -0.07 0.00 0.00 0.00 179.25 179.94 1i0i h LEU 65 N 0.56 0.85 -1.19 0.00 3.38 -0.32 -2.01 115.31 116.58 1i0i h LEU 65 Ca 0.02 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1i0i h LEU 65 Cb 1.05 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1i0i h LEU 65 CO 0.10 0.88 0.55 0.00 0.09 0.00 0.00 178.44 180.07 1i0i h ASP 67 N 1.10 0.00 -0.52 0.00 3.32 -0.58 0.21 116.42 119.95 1i0i h ASP 67 Ca 0.32 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.25 1i0i h ASP 67 Cb -0.08 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 1i0i h ASP 67 CO -0.08 0.00 0.11 0.49 -1.72 0.00 0.00 179.24 178.04 1i0i n PHE 68 N -4.17 1.77 -2.99 4.55 3.01 -0.20 -4.95 117.46 114.48 1i0i n PHE 68 Ca 0.03 -1.09 -0.18 0.00 1.01 0.00 0.00 57.45 57.22 1i0i n PHE 68 Cb 0.36 -0.53 -0.00 0.00 -0.01 0.00 0.00 39.48 39.30 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 -0.29 -3.83 -4.58 4.37 3.02 0.74 -4.94 115.26 109.77 1i0i n ASN 69 Ca 0.32 -0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.31 1i0i n ASN 69 Cb 1.17 -3.20 -0.06 0.00 -0.61 0.00 0.00 39.78 37.08 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 4.88 -0.14 2.41 1.01 -0.82 -5.01 120.40 119.92 1i0i s VAL 70 Ca 0.24 0.67 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1i0i s VAL 70 Cb -0.12 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1i0i s VAL 70 CO 0.29 -0.30 1.31 -2.16 0.00 0.00 0.00 175.10 174.24 1i0i s PRO 71 N 2.74 4.24 0.33 2.72 0.04 -1.26 -4.27 135.00 139.53 1i0i s PRO 71 Ca 0.25 1.73 0.09 0.00 0.04 0.00 0.00 61.00 63.12 1i0i s PRO 71 Cb -0.14 -3.77 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 1i0i s PRO 71 CO 0.15 -0.70 0.03 0.14 0.04 0.00 0.00 177.00 176.65 1i0i s VAL 72 N 3.45 2.81 -0.12 -0.36 -7.23 -1.26 -0.88 120.40 116.82 1i0i s VAL 72 Ca 0.57 -1.92 -0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1i0i s VAL 72 Cb -0.24 -2.82 0.03 0.00 0.56 0.00 0.00 36.38 33.91 1i0i s VAL 72 CO 0.17 -0.23 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.07 1i0i s ARG 73 N -3.73 1.44 -0.13 4.82 3.52 -0.20 -4.81 118.95 119.87 1i0i s ARG 73 Ca 0.35 -0.27 -0.21 0.00 -0.13 0.00 0.00 55.73 55.47 1i0i s ARG 73 Cb -0.02 -1.61 -0.04 0.00 -1.56 0.00 0.00 34.95 31.73 1i0i s ARG 73 CO 0.20 -0.30 0.59 -1.64 -0.81 0.00 0.00 175.30 173.34 1i0i s MET 74 N 1.72 4.33 0.06 5.12 -1.94 -1.26 -0.58 119.30 126.75 1i0i s MET 74 Ca 0.04 0.63 0.06 0.00 -1.71 0.00 0.00 55.69 54.71 1i0i s MET 74 Cb -0.13 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1i0i s MET 74 CO -0.08 0.01 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.55 1i0i s GLU 75 N 1.08 1.10 -0.05 2.03 0.41 0.30 -4.96 118.70 118.62 1i0i s GLU 75 Ca 0.30 -0.94 0.02 0.00 -0.41 0.00 0.00 54.97 53.95 1i0i s GLU 75 Cb -0.16 -1.20 0.01 0.00 -1.78 0.00 0.00 34.13 31.00 1i0i s GLU 75 CO 0.13 0.29 -0.09 -0.06 -0.49 0.00 0.00 175.26 175.04 1i0i s PHE 76 N -0.97 1.11 0.08 1.61 0.40 -1.26 -1.18 117.98 117.77 1i0i s PHE 76 Ca 0.04 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1i0i s PHE 76 Cb -0.09 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.57 1i0i s PHE 76 CO 0.02 -0.19 -0.22 0.96 0.70 0.00 0.00 175.22 176.49 1i0i s ILE 77 N 0.54 1.82 -0.09 0.64 -4.36 -0.54 -4.50 121.20 114.70 1i0i s ILE 77 Ca -0.10 -1.45 0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1i0i s ILE 77 Cb -0.13 -1.61 0.01 0.00 1.25 0.00 0.00 42.46 41.98 1i0i s ILE 77 CO 0.02 0.08 -0.14 0.00 0.24 0.00 0.00 174.94 175.14 1i0i s VAL 79 N 0.90 2.05 0.06 0.00 -7.23 -1.26 0.02 120.40 114.93 1i0i s VAL 79 Ca -0.09 -2.18 -0.10 0.00 -1.81 0.00 0.00 61.98 57.80 1i0i s VAL 79 Cb -0.15 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.20 1i0i s VAL 79 CO 0.00 -0.23 0.22 -0.55 -0.31 0.00 0.00 175.10 174.23 1i0i s SER 80 N -3.56 0.03 0.33 4.85 0.15 -0.44 -4.89 113.70 110.16 1i0i s SER 80 Ca 0.32 -0.42 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 1i0i s SER 80 Cb 0.03 0.32 -0.10 0.00 -1.71 0.00 0.00 66.02 64.56 1i0i s SER 80 CO 0.15 -0.62 0.90 -0.55 1.20 0.00 0.00 173.24 174.32 1i0i s SER 81 N -2.32 7.19 0.28 5.45 0.15 -1.26 -0.60 113.70 122.61 1i0i s SER 81 Ca -0.02 1.72 0.12 0.00 0.70 0.00 0.00 55.95 58.47 1i0i s SER 81 Cb 0.01 -2.54 0.38 0.00 -1.71 0.00 0.00 66.02 62.16 1i0i s SER 81 CO -0.06 -0.11 1.61 1.88 1.20 0.00 0.00 173.24 177.75 1i0i h TYR 82 N 2.92 0.00 0.00 3.44 -1.99 -1.95 -3.46 116.97 115.94 1i0i h TYR 82 Ca -0.47 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1i0i h TYR 82 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1i0i h TYR 82 CO 0.62 0.59 0.00 0.41 -0.00 0.00 0.00 178.16 179.78 1i0i n GLY 83 N 0.37 0.00 2.13 3.88 0.00 -1.26 -5.07 105.19 105.24 1i0i n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -5.47 -3.02 1.61 -0.58 -1.26 -4.61 120.64 107.31 1i0i n GLU 84 Ca 0.00 3.86 -0.21 0.00 -0.42 0.00 0.00 57.16 60.39 1i0i n GLU 84 Cb 0.00 -4.27 0.04 0.00 -0.57 0.00 0.00 31.44 26.64 1i0i n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i0i n GLY 85 N 1.96 -0.43 0.00 0.62 0.00 -1.26 -4.88 105.19 101.20 1i0i n GLY 85 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 -3.85 0.19 -3.92 0.99 4.77 -1.26 -5.01 117.00 108.92 1i0i n LEU 86 Ca -0.09 -0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 55.53 1i0i n LEU 86 Cb 0.61 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1i0i n LEU 86 CO 0.45 0.05 -0.27 0.28 -1.33 0.00 0.00 177.39 176.58 1i0i s THR 87 N -2.18 0.09 -0.22 -5.08 -1.32 -1.26 -5.01 115.64 100.67 1i0i s THR 87 Ca -0.00 -0.73 -0.15 0.00 -1.21 0.00 0.00 61.69 59.60 1i0i s THR 87 Cb 0.06 -0.32 -0.09 0.00 -1.51 0.00 0.00 72.50 70.64 1i0i s THR 87 CO 0.34 -0.40 -0.34 -1.20 -2.21 0.00 0.00 174.62 170.81 1i0i n SER 88 N 1.67 1.90 0.00 8.08 7.64 -1.26 -4.58 113.62 127.06 1i0i n SER 88 Ca -0.22 0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1i0i n SER 88 Cb 0.56 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1i0i n SER 88 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1i0i n SER 89 N -4.31 0.00 -0.83 6.43 2.88 -1.26 -4.67 113.62 111.86 1i0i n SER 89 Ca -0.33 0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.13 1i0i n SER 89 Cb 0.68 -0.03 -0.04 0.00 -0.75 0.00 0.00 64.21 64.08 1i0i n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1i0i n GLY 90 N -0.73 1.14 3.77 0.46 0.00 -1.26 -4.55 105.19 104.02 1i0i n GLY 90 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.97 4.16 0.11 1.61 -0.21 -1.26 -4.26 119.66 116.84 1i0i s GLN 91 Ca 0.00 2.50 0.03 0.00 0.02 0.00 0.00 55.36 57.91 1i0i s GLN 91 Cb 0.00 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.97 1i0i s GLN 91 CO 0.00 -0.48 -0.08 0.14 -2.12 0.00 0.00 175.29 172.74 1i0i s VAL 92 N -0.91 0.89 -0.03 1.09 -7.23 -1.26 -4.68 120.40 108.27 1i0i s VAL 92 Ca 0.54 -1.89 -0.21 0.00 -1.81 0.00 0.00 61.98 58.61 1i0i s VAL 92 Cb -0.45 -1.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.81 1i0i s VAL 92 CO 0.58 -0.75 0.62 -0.60 -0.31 0.00 0.00 175.10 174.64 1i0i s ARG 93 N -3.52 4.37 -0.34 4.82 3.52 0.24 -4.88 118.95 123.14 1i0i s ARG 93 Ca 0.11 0.76 -0.22 0.00 -0.13 0.00 0.00 55.73 56.25 1i0i s ARG 93 Cb 0.02 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1i0i s ARG 93 CO -0.02 0.25 0.74 -1.64 -0.81 0.00 0.00 175.30 173.83 1i0i s MET 94 N 0.18 3.81 -0.13 5.12 -1.94 -1.26 -1.33 119.30 123.74 1i0i s MET 94 Ca 0.33 0.33 0.13 0.00 -1.71 0.00 0.00 55.69 54.76 1i0i s MET 94 Cb -0.18 -3.78 -0.24 0.00 2.01 0.00 0.00 34.83 32.64 1i0i s MET 94 CO 0.17 -0.76 0.33 1.28 -0.01 0.00 0.00 175.02 176.03 1i0i n LEU 95 N 6.24 0.79 -3.69 -0.03 4.77 0.10 -4.90 117.00 120.29 1i0i n LEU 95 Ca 0.02 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 56.06 1i0i n LEU 95 Cb 0.48 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1i0i n LEU 95 CO 0.51 0.51 -0.12 -0.22 -1.33 0.00 0.00 177.39 176.74 1i0i s LEU 96 N -5.94 0.00 0.00 2.23 2.96 -0.94 -4.90 118.68 112.09 1i0i s LEU 96 Ca -0.10 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1i0i s LEU 96 Cb 0.07 0.75 0.02 0.00 0.50 0.00 0.00 46.19 47.54 1i0i s LEU 96 CO 0.81 -0.21 0.21 -0.67 -1.32 0.00 0.00 176.35 175.17 1i0i n ASP 97 N 4.83 2.43 -4.78 3.68 -0.08 -1.26 -1.05 116.55 120.33 1i0i n ASP 97 Ca -0.15 -2.38 -0.41 0.00 -1.51 0.00 0.00 54.79 50.34 1i0i n ASP 97 Cb 0.51 0.05 -0.01 0.00 2.34 0.00 0.00 41.12 44.01 1i0i n ASP 97 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1i0i s THR 98 N -2.00 2.28 0.15 5.18 -4.23 -1.26 -4.78 115.64 110.98 1i0i s THR 98 Ca 0.16 0.28 -0.09 0.00 -1.18 0.00 0.00 61.69 60.86 1i0i s THR 98 Cb -0.01 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 1i0i s THR 98 CO 0.10 0.07 1.48 0.08 -0.54 0.00 0.00 174.62 175.81 1i0i h ARG 99 N 3.09 0.87 -6.19 3.99 -0.00 -1.93 -3.45 114.38 110.77 1i0i h ARG 99 Ca -0.50 -0.47 -0.50 0.00 -0.00 0.00 0.00 59.98 58.51 1i0i h ARG 99 Cb 1.24 0.02 -0.04 0.00 -0.00 0.00 0.00 29.97 31.19 1i0i h ARG 99 CO 0.64 1.12 -0.43 -1.01 -0.00 0.00 0.00 179.97 180.29 1i0i s HIS 100 N -4.33 2.84 0.19 4.08 3.76 -1.26 -5.10 115.29 115.48 1i0i s HIS 100 Ca -0.10 -0.35 -0.23 0.00 -0.15 0.00 0.00 55.06 54.23 1i0i s HIS 100 Cb 0.11 -1.88 -0.08 0.00 1.11 0.00 0.00 32.58 31.84 1i0i s HIS 100 CO 0.87 0.11 0.75 -1.54 -0.85 0.00 0.00 174.74 174.09 1i0i s SER 101 N -4.02 7.23 0.00 1.40 1.04 -1.26 -4.95 113.70 113.14 1i0i s SER 101 Ca 0.43 1.54 0.26 0.00 0.48 0.00 0.00 55.95 58.66 1i0i s SER 101 Cb -0.05 -2.46 0.66 0.00 0.10 0.00 0.00 66.02 64.27 1i0i s SER 101 CO 0.27 0.12 1.51 2.30 0.98 0.00 0.00 173.24 178.42 1i0i n ILE 102 N 1.17 0.00 -1.68 -1.02 -5.35 -1.26 -4.88 119.36 106.34 1i0i n ILE 102 Ca -0.04 -0.04 -0.51 0.00 -0.27 0.00 0.00 62.75 61.89 1i0i n ILE 102 Cb 0.50 0.22 -0.06 0.00 -1.74 0.00 0.00 39.64 38.56 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 -1.25 1.81 -0.54 6.28 2.13 -1.25 -0.44 120.64 127.39 1i0i n GLU 103 Ca 0.08 0.66 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1i0i n GLU 103 Cb 0.34 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.57 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 4.46 0.92 3.86 8.31 0.00 -0.47 -4.87 105.19 117.40 1i0i n GLY 104 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.15 2.92 -0.26 1.61 3.76 0.42 -3.90 115.29 116.69 1i0i s HIS 105 Ca 0.00 -0.30 -0.21 0.00 -0.15 0.00 0.00 55.06 54.40 1i0i s HIS 105 Cb 0.00 -1.81 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1i0i s HIS 105 CO 0.00 0.17 0.67 -1.01 -0.85 0.00 0.00 174.74 173.72 1i0i s HIS 106 N -2.30 3.28 -0.04 1.40 3.76 -1.26 0.13 115.29 120.27 1i0i s HIS 106 Ca 0.41 0.85 0.07 0.00 -0.15 0.00 0.00 55.06 56.23 1i0i s HIS 106 Cb -0.06 -2.90 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 1i0i s HIS 106 CO 0.27 -0.36 -0.23 0.08 -0.85 0.00 0.00 174.74 173.64 1i0i s VAL 107 N 2.59 2.25 -0.17 -0.90 1.01 0.69 -0.86 120.40 125.02 1i0i s VAL 107 Ca 0.28 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1i0i s VAL 107 Cb -0.15 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1i0i s VAL 107 CO 0.09 0.58 0.00 -0.22 0.00 0.00 0.00 175.10 175.55 1i0i s LEU 108 N -0.51 1.29 0.13 3.92 2.96 0.15 -1.11 118.68 125.50 1i0i s LEU 108 Ca 0.07 -0.68 -0.29 0.00 -0.22 0.00 0.00 54.13 53.01 1i0i s LEU 108 Cb -0.11 -0.69 -0.06 0.00 0.50 0.00 0.00 46.19 45.82 1i0i s LEU 108 CO 0.00 -0.25 0.94 -0.63 -1.32 0.00 0.00 176.35 175.09 1i0i s ILE 109 N 1.79 4.44 -0.22 6.68 1.01 -0.16 -1.23 121.20 133.51 1i0i s ILE 109 Ca 0.00 2.03 -0.03 0.00 0.00 0.00 0.00 60.65 62.66 1i0i s ILE 109 Cb -0.16 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.01 1i0i s ILE 109 CO -0.07 0.36 -0.06 -0.69 0.00 0.00 0.00 174.94 174.47 1i0i s VAL 110 N -0.23 3.13 0.10 2.92 1.01 0.99 -0.48 120.40 127.85 1i0i s VAL 110 Ca 0.45 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.84 1i0i s VAL 110 Cb -0.24 -2.45 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1i0i s VAL 110 CO 0.30 0.40 -0.14 -1.61 0.00 0.00 0.00 175.10 174.04 1i0i s GLU 111 N 1.43 0.92 -0.02 2.72 0.41 -0.49 -1.57 118.70 122.10 1i0i s GLU 111 Ca 0.05 -1.12 -0.19 0.00 -0.41 0.00 0.00 54.97 53.30 1i0i s GLU 111 Cb -0.14 -0.83 -0.33 0.00 -1.78 0.00 0.00 34.13 31.04 1i0i s GLU 111 CO -0.05 0.17 0.90 0.38 -0.49 0.00 0.00 175.26 176.17 1i0i h ASP 112 N 3.82 0.61 -4.97 -0.19 2.03 -1.87 -0.90 116.42 114.95 1i0i h ASP 112 Ca -0.40 -0.93 -0.10 0.00 -0.73 0.00 0.00 57.03 54.86 1i0i h ASP 112 Cb 1.19 -0.20 -0.20 0.00 -0.83 0.00 0.00 39.33 39.30 1i0i h ASP 112 CO 0.47 1.54 -0.15 -0.51 -1.03 0.00 0.00 179.24 179.57 1i0i s ILE 113 N -2.50 0.04 -0.02 4.15 2.07 -1.26 -0.48 121.20 123.19 1i0i s ILE 113 Ca -0.12 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.80 1i0i s ILE 113 Cb 0.02 -0.72 0.00 0.00 0.13 0.00 0.00 42.46 41.90 1i0i s ILE 113 CO 0.87 -0.18 -0.07 0.54 -1.91 0.00 0.00 174.94 174.18 1i0i s VAL 114 N -1.26 0.66 0.00 4.00 0.11 -0.95 -4.97 120.40 117.98 1i0i s VAL 114 Ca -0.13 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1i0i s VAL 114 Cb -0.04 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1i0i s VAL 114 CO 0.06 0.21 0.00 1.67 -3.33 0.00 0.00 175.10 173.71 1i0i n GLN 115 N 3.33 0.00 0.19 1.54 7.27 -1.26 -1.56 117.38 126.89 1i0i n GLN 115 Ca -0.18 0.00 0.05 0.00 0.07 0.00 0.00 57.00 56.94 1i0i n GLN 115 Cb 0.54 0.00 0.35 0.00 2.41 0.00 0.00 30.24 33.55 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 0.96 -0.04 1.69 1.35 -1.86 -2.25 112.91 112.75 1i0i h THR 116 Ca 0.00 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.37 1i0i h THR 116 Cb 0.00 1.88 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1i0i h THR 116 CO 0.00 0.37 -0.02 0.00 -0.25 0.00 0.00 175.52 175.63 1i0i n ALA 117 N -2.33 -0.01 0.03 6.62 0.00 -1.26 -1.79 120.51 121.77 1i0i n ALA 117 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1i0i n ALA 117 Cb 0.49 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.20 -0.02 0.00 3.38 -1.90 0.49 115.31 117.07 1i0i h LEU 118 Ca -0.02 0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1i0i h LEU 118 Cb 0.87 0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.73 1i0i h LEU 118 CO 0.02 -0.10 -0.84 0.74 0.09 0.00 0.00 178.44 178.36 1i0i h THR 119 N -0.10 1.34 -0.85 0.22 2.02 -1.87 -2.85 112.91 110.81 1i0i h THR 119 Ca 0.04 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 1i0i h THR 119 Cb 0.16 2.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1i0i h THR 119 CO -0.10 0.65 0.49 0.25 0.37 0.00 0.00 175.52 177.18 1i0i h LEU 120 N 0.21 1.04 -0.63 2.58 5.85 -1.88 -0.43 115.31 122.06 1i0i h LEU 120 Ca -0.10 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.48 1i0i h LEU 120 Cb 1.51 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 1i0i h LEU 120 CO 0.17 0.82 0.12 -1.13 -0.34 0.00 0.00 178.44 178.08 1i0i h ASN 121 N 1.19 0.98 -0.30 1.25 -1.24 -0.92 0.84 115.58 117.37 1i0i h ASN 121 Ca 0.30 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 57.04 1i0i h ASN 121 Cb -0.01 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 1i0i h ASN 121 CO -0.05 0.98 0.09 0.22 -1.29 0.00 0.00 177.43 177.37 1i0i h TYR 122 N 0.94 0.49 -0.59 0.67 3.20 -1.20 -2.01 116.97 118.48 1i0i h TYR 122 Ca 0.19 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1i0i h TYR 122 Cb 0.40 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1i0i h TYR 122 CO 0.03 0.51 0.31 -0.07 -1.64 0.00 0.00 178.16 177.30 1i0i h LEU 123 N 0.32 0.74 0.11 2.82 3.38 -0.81 -1.16 115.31 120.72 1i0i h LEU 123 Ca 0.10 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1i0i h LEU 123 Cb 0.26 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1i0i h LEU 123 CO -0.00 0.63 -0.24 0.22 0.09 0.00 0.00 178.44 179.14 1i0i h TYR 124 N 0.79 -0.63 -0.92 1.13 3.20 -0.71 -1.25 116.97 118.59 1i0i h TYR 124 Ca 0.20 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 1i0i h TYR 124 Cb 0.06 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1i0i h TYR 124 CO -0.01 -0.34 0.54 0.45 -1.64 0.00 0.00 178.16 177.16 1i0i h HIS 125 N -0.44 1.23 0.42 -3.82 3.86 -1.17 -0.28 115.15 114.95 1i0i h HIS 125 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1i0i h HIS 125 Cb 0.46 -0.40 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1i0i h HIS 125 CO -0.22 0.83 -0.28 1.98 0.86 0.00 0.00 177.93 181.09 1i0i h MET 126 N 1.27 -0.66 -0.26 2.45 1.85 -0.85 -1.45 114.93 117.29 1i0i h MET 126 Ca 0.33 0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.40 1i0i h MET 126 Cb -0.03 0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 1i0i h MET 126 CO -0.06 -0.44 -0.13 1.88 -0.40 0.00 0.00 176.91 177.76 1i0i h TYR 127 N -0.68 0.46 -0.86 1.39 -1.99 -1.08 -2.79 116.97 111.42 1i0i h TYR 127 Ca -0.04 -0.07 0.08 0.00 2.00 0.00 0.00 58.73 60.70 1i0i h TYR 127 Cb 0.57 -0.12 -0.07 0.00 2.00 0.00 0.00 36.73 39.11 1i0i h TYR 127 CO -0.11 0.55 0.52 0.35 -0.00 0.00 0.00 178.16 179.47 1i0i h PHE 128 N 0.40 0.95 0.00 4.88 3.57 -0.65 0.15 116.94 126.24 1i0i h PHE 128 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1i0i h PHE 128 Cb 0.47 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1i0i h PHE 128 CO 0.01 0.44 0.00 0.25 -2.23 0.00 0.00 178.31 176.78 1i0i n THR 129 N -4.67 1.06 1.46 4.41 -2.24 -0.58 -2.25 114.28 111.47 1i0i n THR 129 Ca 0.13 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 62.34 1i0i n THR 129 Cb 0.23 -1.24 0.31 0.00 -2.10 0.00 0.00 70.33 67.53 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 -1.92 1.45 -3.48 -0.78 1.74 0.51 -4.96 116.66 109.22 1i0i n ARG 130 Ca 0.02 -0.69 -0.18 0.00 -0.77 0.00 0.00 57.85 56.22 1i0i n ARG 130 Cb 0.15 -1.28 0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1i0i n ARG 130 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1i0i n ARG 131 N -0.03 -6.55 -1.71 5.56 -4.01 -0.95 -3.87 116.66 105.09 1i0i n ARG 131 Ca 0.12 0.82 -0.32 0.00 -1.04 0.00 0.00 57.85 57.43 1i0i n ARG 131 Cb 0.21 -5.79 0.04 0.00 -3.04 0.00 0.00 32.46 23.87 1i0i n ARG 131 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1i0i s PRO 132 N -5.53 3.01 0.25 2.89 0.04 -1.26 -1.37 135.00 133.03 1i0i s PRO 132 Ca 0.06 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.12 1i0i s PRO 132 Cb -0.03 -2.00 0.33 0.00 0.04 0.00 0.00 34.50 32.85 1i0i s PRO 132 CO 0.74 -1.05 1.87 0.00 0.04 0.00 0.00 177.00 178.61 1i0i h ALA 133 N -0.34 1.24 -2.59 8.56 0.00 0.10 -3.42 119.26 122.81 1i0i h ALA 133 Ca -0.45 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1i0i h ALA 133 Cb 1.22 -0.28 -0.15 0.00 0.00 0.00 0.00 17.79 18.57 1i0i h ALA 133 CO 0.56 0.39 -0.08 -1.54 0.00 0.00 0.00 179.25 178.58 1i0i s SER 134 N -5.86 -0.28 -0.12 0.00 1.04 -0.96 -4.95 113.70 102.57 1i0i s SER 134 Ca -0.13 -0.08 -0.05 0.00 0.48 0.00 0.00 55.95 56.18 1i0i s SER 134 Cb 0.19 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.81 1i0i s SER 134 CO 0.80 -0.73 0.25 -0.22 0.98 0.00 0.00 173.24 174.32 1i0i s LEU 135 N -2.24 -0.12 0.22 2.42 2.96 -1.25 -0.22 118.68 120.44 1i0i s LEU 135 Ca -0.03 0.55 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1i0i s LEU 135 Cb -0.00 0.67 -0.04 0.00 0.50 0.00 0.00 46.19 47.31 1i0i s LEU 135 CO -0.05 -0.22 0.11 -0.54 -1.32 0.00 0.00 176.35 174.33 1i0i s LYS 136 N 2.15 1.26 0.05 1.98 1.02 -0.27 -5.00 119.74 120.93 1i0i s LYS 136 Ca -0.01 -1.67 0.05 0.00 0.02 0.00 0.00 55.97 54.37 1i0i s LYS 136 Cb -0.12 0.08 -0.02 0.00 -0.52 0.00 0.00 37.83 37.25 1i0i s LYS 136 CO -0.08 -0.35 -0.15 0.95 -0.92 0.00 0.00 175.35 174.80 1i0i s THR 137 N -4.02 1.16 -0.06 2.17 -4.23 -1.26 -0.99 115.64 108.42 1i0i s THR 137 Ca 0.38 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1i0i s THR 137 Cb 0.07 -1.07 0.01 0.00 1.34 0.00 0.00 72.50 72.85 1i0i s THR 137 CO 0.12 -0.06 -0.12 0.54 -0.54 0.00 0.00 174.62 174.56 1i0i s VAL 138 N -0.99 1.15 0.01 2.29 0.11 0.36 -2.07 120.40 121.26 1i0i s VAL 138 Ca 0.01 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 58.62 1i0i s VAL 138 Cb -0.09 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 1i0i s VAL 138 CO 0.02 0.36 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.29 1i0i s VAL 139 N 0.61 1.29 -0.03 2.04 1.01 -0.57 -1.40 120.40 123.36 1i0i s VAL 139 Ca -0.14 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.77 1i0i s VAL 139 Cb -0.15 -1.11 -0.15 0.00 0.00 0.00 0.00 36.38 34.97 1i0i s VAL 139 CO 0.04 0.24 0.99 0.25 0.00 0.00 0.00 175.10 176.62 1i0i h LEU 140 N 5.40 -0.29 -8.64 3.92 5.85 -0.78 -2.74 115.31 118.02 1i0i h LEU 140 Ca -0.37 -0.24 -0.70 0.00 0.84 0.00 0.00 57.88 57.41 1i0i h LEU 140 Cb 1.16 0.08 -0.29 0.00 0.37 0.00 0.00 40.66 41.98 1i0i h LEU 140 CO 0.47 0.17 -0.87 -0.76 -0.34 0.00 0.00 178.44 177.10 1i0i s LEU 141 N -9.21 2.14 -0.18 2.25 1.43 0.36 -1.30 118.68 114.17 1i0i s LEU 141 Ca -0.13 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 1i0i s LEU 141 Cb 0.01 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.90 1i0i s LEU 141 CO 0.48 0.31 -0.10 -0.62 0.23 0.00 0.00 176.35 176.65 1i0i s ASP 142 N -0.57 3.06 -1.15 2.29 -1.08 -0.05 -2.25 116.67 116.91 1i0i s ASP 142 Ca 0.09 -0.72 -0.10 0.00 -0.52 0.00 0.00 52.55 51.30 1i0i s ASP 142 Cb -0.10 -1.14 0.25 0.00 -1.46 0.00 0.00 42.92 40.46 1i0i s ASP 142 CO -0.00 -0.13 1.29 0.29 0.52 0.00 0.00 175.17 177.14 1i0i n LYS 143 N 4.75 3.59 0.05 4.34 5.02 -0.60 -0.43 118.16 134.87 1i0i n LYS 143 Ca -0.15 -4.24 0.19 0.00 -2.02 0.00 0.00 58.31 52.09 1i0i n LYS 143 Cb 0.48 -2.71 0.71 0.00 -0.02 0.00 0.00 35.03 33.49 1i0i n LYS 143 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1i0i h ARG 144 N 6.62 0.00 -0.01 1.97 3.08 -1.82 -2.04 114.38 122.17 1i0i h ARG 144 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1i0i h ARG 144 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1i0i h ARG 144 CO 1.15 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 180.44 1i0i n GLU 145 N -4.26 1.32 -0.25 0.04 1.02 -1.26 -4.00 120.64 113.25 1i0i n GLU 145 Ca 0.08 -0.47 0.12 0.00 -0.02 0.00 0.00 57.16 56.87 1i0i n GLU 145 Cb 0.55 -1.48 0.25 0.00 -0.02 0.00 0.00 31.44 30.74 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 1.08 1.98 3.70 0.62 0.00 -0.77 -5.01 105.19 106.80 1i0i n GLY 146 Ca 0.21 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1i0i n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i0i n ARG 147 N 1.57 2.16 0.00 1.61 5.12 -0.85 -3.44 116.66 122.82 1i0i n ARG 147 Ca 0.21 0.76 0.01 0.00 -1.93 0.00 0.00 57.85 56.90 1i0i n ARG 147 Cb 0.62 -2.35 0.00 0.00 -1.16 0.00 0.00 32.46 29.56 1i0i n ARG 147 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1i0i n ARG 148 N 0.70 2.38 -3.67 5.56 1.74 -0.74 -4.92 116.66 117.71 1i0i n ARG 148 Ca 0.05 -0.36 -0.14 0.00 -0.77 0.00 0.00 57.85 56.63 1i0i n ARG 148 Cb 0.36 -0.85 -0.08 0.00 -1.02 0.00 0.00 32.46 30.87 1i0i n ARG 148 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1i0i s VAL 149 N -0.64 0.00 0.12 1.55 0.11 -1.21 -5.02 120.40 115.33 1i0i s VAL 149 Ca 0.02 -0.01 -0.31 0.00 -2.93 0.00 0.00 61.98 58.75 1i0i s VAL 149 Cb 0.02 -0.83 -0.08 0.00 -1.53 0.00 0.00 36.38 33.95 1i0i s VAL 149 CO 0.05 -0.00 1.45 -2.16 -3.33 0.00 0.00 175.10 171.11 1i0i s PRO 150 N 0.25 4.29 -0.28 1.54 0.04 -1.26 -4.77 135.00 134.81 1i0i s PRO 150 Ca -0.00 2.16 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 1i0i s PRO 150 Cb -0.04 -3.24 0.08 0.00 0.04 0.00 0.00 34.50 31.34 1i0i s PRO 150 CO 0.01 -0.50 0.71 0.12 0.04 0.00 0.00 177.00 177.38 1i0i s PHE 151 N 1.19 -0.93 -0.06 0.56 5.36 -1.26 -5.03 117.98 117.81 1i0i s PHE 151 Ca 0.66 2.03 0.06 0.00 -0.96 0.00 0.00 56.93 58.72 1i0i s PHE 151 Cb -0.39 0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1i0i s PHE 151 CO 0.30 -0.46 -0.24 -1.12 -1.46 0.00 0.00 175.22 172.24 1i0i s SER 152 N 1.04 3.11 0.08 6.13 0.01 -1.26 -5.07 113.70 117.74 1i0i s SER 152 Ca -0.05 -0.51 -0.15 0.00 1.31 0.00 0.00 55.95 56.56 1i0i s SER 152 Cb -0.05 -0.92 -0.06 0.00 0.21 0.00 0.00 66.02 65.19 1i0i s SER 152 CO -0.10 0.24 0.48 0.00 0.41 0.00 0.00 173.24 174.27 1i0i s ALA 153 N -0.11 3.64 0.20 1.44 0.00 -1.26 -4.92 121.76 120.75 1i0i s ALA 153 Ca -0.05 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.80 1i0i s ALA 153 Cb -0.14 -2.46 0.10 0.00 0.00 0.00 0.00 23.12 20.62 1i0i s ALA 153 CO 0.04 0.47 1.46 -0.44 0.00 0.00 0.00 175.76 177.29 1i0i h ASP 154 N 4.10 0.13 -3.66 0.00 3.32 -1.80 -3.44 116.42 115.06 1i0i h ASP 154 Ca -0.50 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.17 1i0i h ASP 154 Cb 1.20 -0.04 -0.31 0.00 0.22 0.00 0.00 39.33 40.41 1i0i h ASP 154 CO 0.64 0.86 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.97 1i0i s TYR 155 N -3.31 0.15 -0.02 4.55 1.51 -0.92 -5.01 117.35 114.29 1i0i s TYR 155 Ca -0.02 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 1i0i s TYR 155 Cb 0.11 -0.19 0.01 0.00 -0.11 0.00 0.00 41.96 41.78 1i0i s TYR 155 CO 0.80 -0.05 -0.02 0.08 -1.11 0.00 0.00 175.55 175.25 1i0i s VAL 156 N 0.45 0.29 0.05 0.71 1.01 -1.26 -1.51 120.40 120.14 1i0i s VAL 156 Ca -0.04 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1i0i s VAL 156 Cb -0.06 -0.31 -0.32 0.00 0.00 0.00 0.00 36.38 35.69 1i0i s VAL 156 CO -0.01 0.13 1.08 0.58 0.00 0.00 0.00 175.10 176.88 1i0i h VAL 157 N 5.68 1.36 -2.25 2.92 2.07 -1.17 -3.47 116.25 121.40 1i0i h VAL 157 Ca -0.35 -2.78 -0.05 0.00 0.82 0.00 0.00 66.70 64.33 1i0i h VAL 157 Cb 1.16 2.94 -0.22 0.00 -1.52 0.00 0.00 31.29 33.65 1i0i h VAL 157 CO 0.49 0.83 -0.03 0.00 0.02 0.00 0.00 177.57 178.88 1i0i s ALA 158 N -2.70 -1.54 0.00 1.67 0.00 -0.42 -5.00 121.76 113.77 1i0i s ALA 158 Ca -0.07 1.86 -0.17 0.00 0.00 0.00 0.00 51.96 53.57 1i0i s ALA 158 Cb 0.05 -1.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.03 1i0i s ALA 158 CO 0.92 -0.31 0.48 -0.80 0.00 0.00 0.00 175.76 176.06 1i0i s ASN 159 N 0.74 6.88 0.13 0.00 0.01 -1.26 -0.87 114.94 120.56 1i0i s ASN 159 Ca -0.03 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.17 1i0i s ASN 159 Cb -0.05 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 1i0i s ASN 159 CO -0.05 0.24 0.01 0.27 -1.51 0.00 0.00 177.10 176.06 1i0i s ILE 160 N -0.76 0.39 0.79 0.60 -4.36 0.42 -4.86 121.20 113.43 1i0i s ILE 160 Ca 0.26 -1.92 -0.08 0.00 -0.26 0.00 0.00 60.65 58.64 1i0i s ILE 160 Cb -0.17 -1.95 0.12 0.00 1.25 0.00 0.00 42.46 41.70 1i0i s ILE 160 CO 0.15 -0.59 1.11 -2.16 0.24 0.00 0.00 174.94 173.69 1i0i s PRO 161 N -3.96 1.62 -1.09 0.37 0.04 -1.26 -4.21 135.00 126.51 1i0i s PRO 161 Ca 0.20 -0.45 -0.07 0.00 0.04 0.00 0.00 61.00 60.72 1i0i s PRO 161 Cb 0.07 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1i0i s PRO 161 CO 0.00 -1.65 2.34 -1.71 0.04 0.00 0.00 177.00 176.02 1i0i n ASN 162 N -3.17 5.92 -4.95 6.66 5.15 -1.26 -4.87 115.26 118.73 1i0i n ASN 162 Ca 0.12 -2.38 -0.25 0.00 -0.60 0.00 0.00 54.58 51.46 1i0i n ASN 162 Cb 0.60 -1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 38.61 1i0i n ASN 162 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i0i s ALA 163 N 3.07 3.91 -0.43 5.20 0.00 -1.26 -5.05 121.76 127.20 1i0i s ALA 163 Ca 0.47 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 1i0i s ALA 163 Cb 0.12 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.42 1i0i s ALA 163 CO -0.04 0.39 0.70 0.12 0.00 0.00 0.00 175.76 176.93 1i0i s PHE 164 N -1.88 3.05 0.05 0.00 5.36 -1.26 -5.03 117.98 118.27 1i0i s PHE 164 Ca 0.36 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.44 1i0i s PHE 164 Cb -0.10 -3.44 -0.04 0.00 -0.34 0.00 0.00 43.02 39.09 1i0i s PHE 164 CO 0.29 -0.87 0.21 0.14 -1.46 0.00 0.00 175.22 173.54 1i0i s VAL 165 N 3.00 5.39 0.06 3.12 -7.23 -1.26 -0.53 120.40 122.94 1i0i s VAL 165 Ca 0.26 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 60.07 1i0i s VAL 165 Cb -0.13 -3.61 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 1i0i s VAL 165 CO 0.20 0.17 0.05 0.27 -0.31 0.00 0.00 175.10 175.48 1i0i s ILE 166 N -1.48 0.18 0.00 -0.62 -4.36 0.03 -4.60 121.20 110.35 1i0i s ILE 166 Ca 0.34 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.21 1i0i s ILE 166 Cb -0.13 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.22 1i0i s ILE 166 CO 0.26 -0.84 0.00 0.61 0.24 0.00 0.00 174.94 175.21 1i0i n GLY 167 N 0.17 2.18 3.93 6.27 0.00 0.25 -1.06 105.19 116.93 1i0i n GLY 167 Ca -0.15 -1.95 -0.26 0.00 0.00 0.00 0.00 46.02 43.66 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 1.38 -1.77 0.00 1.61 9.36 0.53 -1.19 117.16 127.08 1i0i n TYR 168 Ca 0.00 0.79 0.00 0.00 3.32 0.00 0.00 57.90 62.01 1i0i n TYR 168 Cb 0.00 -3.81 0.00 0.00 -0.63 0.00 0.00 39.34 34.90 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 -1.81 2.96 3.72 2.98 0.00 0.13 -4.58 105.19 108.59 1i0i n GLY 169 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 4.42 0.37 0.99 1.43 -0.33 -4.27 118.68 121.28 1i0i s LEU 170 Ca 0.00 1.98 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 1i0i s LEU 170 Cb 0.00 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.56 1i0i s LEU 170 CO 0.00 -0.33 0.00 1.51 0.23 0.00 0.00 176.35 177.76 1i0i s ASP 171 N 0.57 3.38 -0.17 2.29 -4.77 -1.26 -0.58 116.67 116.13 1i0i s ASP 171 Ca 0.54 -1.33 -0.02 0.00 -3.30 0.00 0.00 52.55 48.43 1i0i s ASP 171 Cb -0.28 -0.29 0.05 0.00 -1.09 0.00 0.00 42.92 41.31 1i0i s ASP 171 CO 0.31 -0.45 0.01 -0.47 0.70 0.00 0.00 175.17 175.28 1i0i s TYR 172 N -2.87 1.10 -1.38 2.11 5.04 -0.92 -4.79 117.35 115.64 1i0i s TYR 172 Ca 0.35 -0.79 -0.03 0.00 -2.44 0.00 0.00 57.07 54.15 1i0i s TYR 172 Cb 0.08 -1.04 0.02 0.00 0.35 0.00 0.00 41.96 41.37 1i0i s TYR 172 CO 0.17 -0.56 0.69 -3.47 -1.34 0.00 0.00 175.55 171.03 1i0i n ASP 173 N 5.03 -1.63 -1.80 4.32 2.03 -1.26 -1.69 116.55 121.55 1i0i n ASP 173 Ca -0.09 -0.86 -0.17 0.00 0.52 0.00 0.00 54.79 54.18 1i0i n ASP 173 Cb 0.48 -3.76 -0.05 0.00 -0.72 0.00 0.00 41.12 37.06 1i0i n ASP 173 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1i0i n ASP 174 N -2.99 -4.74 -4.51 1.67 -0.08 -1.26 -4.96 116.55 99.68 1i0i n ASP 174 Ca -0.24 0.31 -0.27 0.00 -1.51 0.00 0.00 54.79 53.09 1i0i n ASP 174 Cb 0.65 -4.17 -0.10 0.00 2.34 0.00 0.00 41.12 39.84 1i0i n ASP 174 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i0i s THR 175 N -2.60 2.85 0.00 5.18 2.01 -0.68 -4.76 115.64 117.63 1i0i s THR 175 Ca 0.00 -1.79 0.00 0.00 0.31 0.00 0.00 61.69 60.21 1i0i s THR 175 Cb 0.00 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.12 1i0i s THR 175 CO 0.00 -0.10 0.00 -1.22 -0.69 0.00 0.00 174.62 172.61 1i0i n TYR 176 N 0.17 0.00 0.21 4.92 4.02 -1.26 -2.17 117.16 123.06 1i0i n TYR 176 Ca -0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.88 1i0i n TYR 176 Cb 0.55 -0.61 0.67 0.00 -0.02 0.00 0.00 39.34 39.93 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 1.49 0.00 0.00 -0.72 3.08 -1.84 -2.69 114.38 113.70 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 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1i0i h ARG 177 CO 0.00 0.00 0.00 -0.85 -1.07 0.00 0.00 179.97 178.05 1i0i n GLU 178 N -4.46 0.35 -1.93 0.04 0.00 -1.26 0.22 120.64 113.61 1i0i n GLU 178 Ca -0.00 0.04 -0.39 0.00 0.00 0.00 0.00 57.16 56.80 1i0i n GLU 178 Cb 0.19 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.15 1i0i n GLU 178 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i0i s LEU 179 N -2.59 4.08 0.41 -1.84 1.43 -1.03 -4.81 118.68 114.32 1i0i s LEU 179 Ca 0.24 2.73 0.22 0.00 -1.03 0.00 0.00 54.13 56.30 1i0i s LEU 179 Cb 0.17 -4.03 0.53 0.00 0.03 0.00 0.00 46.19 42.89 1i0i s LEU 179 CO 0.40 -1.13 1.66 0.03 0.23 0.00 0.00 176.35 177.54 1i0i h ARG 180 N 2.22 0.00 -6.09 1.70 3.08 -1.92 0.15 114.38 113.51 1i0i h ARG 180 Ca -0.50 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.01 1i0i h ARG 180 Cb 1.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.24 1i0i h ARG 180 CO 0.61 0.20 -0.53 -0.51 -1.07 0.00 0.00 179.97 178.67 1i0i s ASP 181 N -6.22 4.72 -0.22 7.04 1.01 -1.26 -3.79 116.67 117.95 1i0i s ASP 181 Ca 0.04 -0.76 -0.06 0.00 0.71 0.00 0.00 52.55 52.48 1i0i s ASP 181 Cb 0.07 -0.73 -0.02 0.00 1.01 0.00 0.00 42.92 43.25 1i0i s ASP 181 CO 0.67 -0.32 0.02 -0.63 0.21 0.00 0.00 175.17 175.12 1i0i s ILE 182 N -2.42 4.00 0.25 0.77 1.01 -0.11 -3.26 121.20 121.43 1i0i s ILE 182 Ca 0.38 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1i0i s ILE 182 Cb -0.02 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1i0i s ILE 182 CO 0.23 0.39 0.03 0.68 0.00 0.00 0.00 174.94 176.27 1i0i s VAL 183 N 1.34 0.93 -0.21 2.92 -7.23 -0.22 -0.67 120.40 117.25 1i0i s VAL 183 Ca 0.04 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.08 1i0i s VAL 183 Cb -0.15 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1i0i s VAL 183 CO 0.01 -0.21 0.19 -0.69 -0.31 0.00 0.00 175.10 174.10 1i0i s VAL 184 N -3.49 5.35 0.11 1.32 1.01 0.70 -0.79 120.40 124.61 1i0i s VAL 184 Ca 0.31 0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1i0i s VAL 184 Cb 0.07 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1i0i s VAL 184 CO 0.11 0.37 1.45 -0.22 0.00 0.00 0.00 175.10 176.80 1i0i s LEU 185 N 0.79 4.36 0.10 3.92 2.96 0.31 -0.38 118.68 130.74 1i0i s LEU 185 Ca 0.10 2.37 -0.31 0.00 -0.22 0.00 0.00 54.13 56.07 1i0i s LEU 185 Cb -0.13 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1i0i s LEU 185 CO 0.03 -0.71 1.88 0.54 -1.32 0.00 0.00 176.35 176.77 1i0i n ARG 186 N 4.27 2.82 -0.08 1.98 1.74 -0.40 -4.59 116.66 122.40 1i0i n ARG 186 Ca 0.12 1.03 0.25 0.00 -0.77 0.00 0.00 57.85 58.48 1i0i n ARG 186 Cb 0.42 -2.94 0.71 0.00 -1.02 0.00 0.00 32.46 29.63 1i0i n ARG 186 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1i0i h PRO 187 N 9.18 0.00 0.00 5.56 0.13 -1.92 0.77 132.00 145.72 1i0i h PRO 187 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1i0i h PRO 187 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1i0i h PRO 187 CO 0.95 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 179.55 1i0i h GLU 188 N 0.00 0.00 0.15 0.86 3.07 -1.97 -2.20 114.58 114.50 1i0i h GLU 188 Ca 0.33 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.96 1i0i h GLU 188 Cb 1.39 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.32 1i0i h GLU 188 CO -0.00 0.09 -1.07 0.28 -1.40 0.00 0.00 179.01 176.91 1i0i h VAL 189 N 0.00 1.34 -0.14 3.13 2.07 0.19 -3.31 116.25 119.53 1i0i h VAL 189 Ca -0.00 -2.52 -0.07 0.00 0.82 0.00 0.00 66.70 64.93 1i0i h VAL 189 Cb 0.18 3.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 1i0i h VAL 189 CO 0.01 0.72 0.09 -1.22 0.02 0.00 0.00 177.57 177.20 1i0i n TYR 190 N -4.02 0.42 -1.13 1.57 4.02 -0.82 -5.06 117.16 112.14 1i0i n TYR 190 Ca -0.18 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 56.97 1i0i n TYR 190 Cb 0.88 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1i0i n TYR 190 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85