#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoc s ASP 2 N 0.00 1.67 -0.23 0.00 2.15 -1.26 -5.06 116.67 113.94 1aoc s ASP 2 Ca 0.00 1.74 -0.11 0.00 0.43 0.00 0.00 52.55 54.61 1aoc s ASP 2 Cb 0.00 -2.39 0.08 0.00 -0.30 0.00 0.00 42.92 40.31 1aoc s ASP 2 CO 0.00 -3.81 0.53 -0.89 -0.17 0.00 0.00 175.17 170.83 1aoc s THR 3 N -2.54 -0.34 0.43 1.71 2.01 -1.26 -5.03 115.64 110.62 1aoc s THR 3 Ca 0.68 0.07 0.16 0.00 0.31 0.00 0.00 61.69 62.91 1aoc s THR 3 Cb -0.24 -0.80 0.19 0.00 0.01 0.00 0.00 72.50 71.66 1aoc s THR 3 CO 0.62 0.03 1.98 -0.55 -0.69 0.00 0.00 174.62 176.01 1aoc h ASN 4 N 7.50 0.00 -3.22 3.53 -1.07 -1.97 -3.37 115.58 116.98 1aoc h ASN 4 Ca -0.26 0.00 -0.74 0.00 0.07 0.00 0.00 56.30 55.36 1aoc h ASN 4 Cb 1.16 0.00 -0.26 0.00 -2.07 0.00 0.00 38.32 37.16 1aoc h ASN 4 CO 0.18 0.20 -0.31 0.00 0.07 0.00 0.00 177.43 177.57 1aoc s ALA 5 N -4.49 3.53 0.86 4.14 0.00 -1.26 -4.10 121.76 120.43 1aoc s ALA 5 Ca -0.04 -2.44 -0.12 0.00 0.00 0.00 0.00 51.96 49.37 1aoc s ALA 5 Cb 0.15 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.33 1aoc s ALA 5 CO 0.68 -1.91 1.13 -1.25 0.00 0.00 0.00 175.76 174.42 1aoc s PRO 6 N 1.52 1.59 -0.18 0.00 0.04 -1.26 -5.07 135.00 131.64 1aoc s PRO 6 Ca 0.04 0.36 -0.02 0.00 0.04 0.00 0.00 61.00 61.42 1aoc s PRO 6 Cb -0.27 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1aoc s PRO 6 CO 0.02 -1.90 -0.09 -1.50 0.04 0.00 0.00 177.00 173.56 1aoc s ILE 7 N -3.30 3.11 0.39 0.56 2.07 -1.26 -5.08 121.20 117.69 1aoc s ILE 7 Ca 0.62 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1aoc s ILE 7 Cb -0.14 -2.36 -0.00 0.00 0.13 0.00 0.00 42.46 40.08 1aoc s ILE 7 CO 0.53 0.48 0.03 0.00 -1.91 0.00 0.00 174.94 174.07 1aoc s LEU 9 N 0.00 4.40 -0.47 0.00 2.96 -1.26 -2.00 118.68 122.31 1aoc s LEU 9 Ca 0.04 2.76 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1aoc s LEU 9 Cb 0.00 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1aoc s LEU 9 CO 0.03 -0.64 0.00 0.00 -1.32 0.00 0.00 176.35 174.42 1aoc s ASP 11 N -2.69 6.32 0.08 0.00 1.01 -0.84 -4.90 116.67 115.64 1aoc s ASP 11 Ca 0.00 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.59 1aoc s ASP 11 Cb 0.00 -1.98 0.00 0.00 1.01 0.00 0.00 42.92 41.95 1aoc s ASP 11 CO 0.00 -0.19 0.00 1.21 0.21 0.00 0.00 175.17 176.40 1aoc n GLU 12 N -1.50 -0.76 0.00 8.23 0.00 -1.26 -4.59 120.64 120.76 1aoc n GLU 12 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 57.16 57.66 1aoc n GLU 12 Cb 0.56 -0.63 0.00 0.00 0.00 0.00 0.00 31.44 31.37 1aoc n GLU 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1aoc n PRO 13 N -0.82 0.00 0.06 5.31 -0.04 -1.26 -3.01 135.00 135.24 1aoc n PRO 13 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1aoc n PRO 13 Cb 0.00 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.15 1aoc n PRO 13 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1aoc h GLY 14 N 0.00 0.52 -6.91 0.55 0.00 -1.97 -3.43 103.07 91.83 1aoc h GLY 14 Ca 0.00 -0.89 -0.56 0.00 0.00 0.00 0.00 47.33 45.88 1aoc h GLY 14 CO 0.00 0.79 1.09 0.14 0.00 0.00 0.00 176.54 178.56 1aoc s VAL 15 N -3.31 3.85 0.21 4.60 1.01 -1.16 -3.01 120.40 122.59 1aoc s VAL 15 Ca -0.06 0.81 -0.06 0.00 0.00 0.00 0.00 61.98 62.67 1aoc s VAL 15 Cb 0.09 -4.29 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1aoc s VAL 15 CO 0.87 -0.92 0.38 0.18 0.00 0.00 0.00 175.10 175.61 1aoc n LEU 16 N 9.21 0.00 0.19 3.92 4.77 -1.26 -4.97 117.00 128.86 1aoc n LEU 16 Ca 0.15 -1.47 -0.15 0.00 -0.03 0.00 0.00 56.01 54.51 1aoc n LEU 16 Cb 0.49 1.88 -0.07 0.00 -2.33 0.00 0.00 43.42 43.38 1aoc n LEU 16 CO 0.71 -0.44 0.65 1.23 -1.33 0.00 0.00 177.39 178.21 1aoc h GLY 17 N 1.09 -0.73 0.40 -0.72 0.00 -1.99 -3.20 103.07 97.91 1aoc h GLY 17 Ca -0.17 0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1aoc h GLY 17 CO 0.22 -0.27 -0.19 0.07 0.00 0.00 0.00 176.54 176.37 1aoc h ARG 18 N -0.66 -0.51 -1.97 4.80 0.11 -1.94 -3.50 114.38 110.72 1aoc h ARG 18 Ca -0.01 0.03 0.20 0.00 0.10 0.00 0.00 59.98 60.31 1aoc h ARG 18 Cb 0.61 0.12 -0.10 0.00 1.11 0.00 0.00 29.97 31.71 1aoc h ARG 18 CO -0.09 -0.34 -0.65 -2.37 0.10 0.00 0.00 179.97 176.62 1aoc n THR 19 N -4.49 -0.34 -1.87 0.08 5.66 -1.21 -4.23 114.28 107.88 1aoc n THR 19 Ca -0.07 0.45 -0.42 0.00 -3.05 0.00 0.00 64.05 60.96 1aoc n THR 19 Cb 0.21 -0.72 -0.03 0.00 -1.55 0.00 0.00 70.33 68.24 1aoc n THR 19 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1aoc s GLN 20 N -3.36 4.17 0.00 1.09 2.00 -1.16 -3.31 119.66 119.08 1aoc s GLN 20 Ca 0.00 2.37 0.00 0.00 -2.00 0.00 0.00 55.36 55.73 1aoc s GLN 20 Cb 0.00 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.78 1aoc s GLN 20 CO 0.00 -0.88 0.00 0.44 -0.50 0.00 0.00 175.29 174.35 1aoc n ILE 21 N 5.46 0.00 -1.41 -2.34 -5.35 -1.26 -4.80 119.36 109.66 1aoc n ILE 21 Ca 0.18 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.27 1aoc n ILE 21 Cb 0.42 -0.03 -0.02 0.00 -1.74 0.00 0.00 39.64 38.27 1aoc n ILE 21 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1aoc n VAL 22 N -1.64 4.09 -0.90 7.28 0.31 -1.21 -4.81 118.33 121.44 1aoc n VAL 22 Ca 0.00 -2.67 -0.32 0.00 -0.01 0.00 0.00 64.34 61.34 1aoc n VAL 22 Cb 0.00 -2.61 0.15 0.00 -0.91 0.00 0.00 33.84 30.46 1aoc n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1aoc s THR 23 N 2.44 2.18 -0.04 2.52 -4.23 -1.26 -4.62 115.64 112.62 1aoc s THR 23 Ca 0.64 0.06 0.27 0.00 -1.18 0.00 0.00 61.69 61.48 1aoc s THR 23 Cb 0.17 -2.25 0.27 0.00 1.34 0.00 0.00 72.50 72.02 1aoc s THR 23 CO -0.07 -0.07 1.82 0.74 -0.54 0.00 0.00 174.62 176.50 1aoc h THR 24 N -1.46 0.00 -0.07 3.99 2.02 -1.91 0.39 112.91 115.88 1aoc h THR 24 Ca -0.44 -0.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 1aoc h THR 24 Cb 1.27 0.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1aoc h THR 24 CO 0.44 0.00 -0.53 -0.33 0.37 0.00 0.00 175.52 175.47 1aoc h GLU 25 N 0.00 0.47 0.19 6.66 3.07 -1.95 -1.84 114.58 121.18 1aoc h GLU 25 Ca 0.00 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.36 58.43 1aoc h GLU 25 Cb 0.04 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 1aoc h GLU 25 CO 0.00 1.06 -0.09 0.82 -1.40 0.00 0.00 179.01 179.40 1aoc h ILE 26 N 0.03 0.86 -0.85 3.13 1.08 -0.68 -2.94 117.51 118.15 1aoc h ILE 26 Ca -0.05 -0.95 0.12 0.00 -0.39 0.00 0.00 64.86 63.59 1aoc h ILE 26 Cb 1.20 1.37 -0.13 0.00 -3.07 0.00 0.00 36.82 36.18 1aoc h ILE 26 CO 0.11 0.19 -0.44 0.11 -0.69 0.00 0.00 178.15 177.44 1aoc h LYS 27 N -0.78 -0.08 -0.87 2.37 1.57 -0.84 0.15 116.57 118.09 1aoc h LYS 27 Ca -0.03 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.81 1aoc h LYS 27 Cb 0.51 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.78 1aoc h LYS 27 CO 0.04 -0.05 0.55 -0.44 -0.57 0.00 0.00 179.45 178.98 1aoc h ASP 28 N -0.08 0.87 -0.62 0.86 5.19 -1.41 -0.33 116.42 120.91 1aoc h ASP 28 Ca 0.25 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 1aoc h ASP 28 Cb 0.55 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.85 1aoc h ASP 28 CO -0.87 0.57 0.40 0.50 -3.12 0.00 0.00 179.24 176.73 1aoc h LYS 29 N 1.02 0.79 -0.34 3.56 3.64 -0.58 -1.18 116.57 123.48 1aoc h LYS 29 Ca 0.37 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1aoc h LYS 29 Cb 0.12 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1aoc h LYS 29 CO -0.15 0.52 0.05 0.82 -2.27 0.00 0.00 179.45 178.42 1aoc h ILE 30 N 0.81 1.24 -0.46 2.00 2.04 -0.47 -1.74 117.51 120.93 1aoc h ILE 30 Ca 0.23 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1aoc h ILE 30 Cb -0.06 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1aoc h ILE 30 CO -0.07 0.28 0.17 -0.08 0.00 0.00 0.00 178.15 178.45 1aoc h GLU 31 N 0.39 0.34 -0.34 2.37 4.57 -0.78 0.21 114.58 121.33 1aoc h GLU 31 Ca 0.10 -0.02 -0.10 0.00 -1.18 0.00 0.00 59.36 58.16 1aoc h GLU 31 Cb 0.35 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1aoc h GLU 31 CO 0.01 0.22 -0.21 0.87 -1.18 0.00 0.00 179.01 178.72 1aoc h LYS 32 N 0.35 0.66 -0.54 1.92 1.57 -1.12 0.87 116.57 120.28 1aoc h LYS 32 Ca 0.22 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1aoc h LYS 32 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1aoc h LYS 32 CO -0.21 0.82 0.20 0.00 -0.57 0.00 0.00 179.45 179.69 1aoc h ALA 33 N 1.18 0.70 -0.60 3.86 0.00 -0.34 -0.67 119.26 123.40 1aoc h ALA 33 Ca 0.09 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1aoc h ALA 33 Cb 0.68 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1aoc h ALA 33 CO 0.05 0.33 0.03 0.28 0.00 0.00 0.00 179.25 179.94 1aoc h VAL 34 N 0.74 1.26 -0.88 0.00 2.07 -0.17 -2.48 116.25 116.80 1aoc h VAL 34 Ca 0.18 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1aoc h VAL 34 Cb 0.23 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1aoc h VAL 34 CO -0.01 0.40 0.56 -0.33 0.02 0.00 0.00 177.57 178.21 1aoc h GLU 35 N 0.94 1.18 -0.89 1.57 5.08 -0.48 -1.31 114.58 120.66 1aoc h GLU 35 Ca 0.17 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1aoc h GLU 35 Cb 0.52 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1aoc h GLU 35 CO 0.03 0.80 0.57 0.00 -1.00 0.00 0.00 179.01 179.41 1aoc h ALA 36 N 1.31 1.19 -0.38 3.43 0.00 -0.84 0.11 119.26 124.08 1aoc h ALA 36 Ca 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 1aoc h ALA 36 Cb -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1aoc h ALA 36 CO -0.06 0.38 0.08 0.28 0.00 0.00 0.00 179.25 179.93 1aoc h VAL 37 N 1.07 1.23 -0.44 0.00 2.07 -0.91 -0.88 116.25 118.40 1aoc h VAL 37 Ca 0.37 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1aoc h VAL 37 Cb 0.07 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1aoc h VAL 37 CO -0.14 0.28 0.27 0.00 0.02 0.00 0.00 177.57 177.99 1aoc h ALA 38 N 0.93 0.56 -0.41 1.67 0.00 -0.58 0.25 119.26 121.68 1aoc h ALA 38 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1aoc h ALA 38 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1aoc h ALA 38 CO 0.00 -0.05 0.23 1.96 0.00 0.00 0.00 179.25 181.39 1aoc h GLN 39 N 0.54 0.57 0.01 0.00 4.20 -0.47 -2.14 115.11 117.81 1aoc h GLN 39 Ca 0.17 -0.07 -0.21 0.00 0.06 0.00 0.00 58.65 58.61 1aoc h GLN 39 Cb -0.01 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1aoc h GLN 39 CO -0.07 0.46 -0.99 1.05 -0.67 0.00 0.00 178.83 178.61 1aoc h GLU 40 N 0.53 0.02 0.00 1.46 4.11 -1.05 -3.40 114.58 116.25 1aoc h GLU 40 Ca 0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1aoc h GLU 40 Cb 0.05 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1aoc h GLU 40 CO -0.02 0.99 0.00 0.45 0.07 0.00 0.00 179.01 180.50 1aoc n SER 41 N -3.39 0.00 0.00 3.06 2.88 0.86 -4.85 113.62 112.18 1aoc n SER 41 Ca -0.01 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1aoc n SER 41 Cb 0.93 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 1aoc n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1aoc n GLY 42 N 0.88 0.97 3.66 0.46 0.00 -0.82 -4.94 105.19 105.40 1aoc n GLY 42 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 1aoc n GLY 42 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aoc n VAL 43 N 0.00 0.21 -3.97 1.61 0.31 -1.26 -4.94 118.33 110.29 1aoc n VAL 43 Ca 0.00 -0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.19 1aoc n VAL 43 Cb 0.00 -1.24 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 1aoc n VAL 43 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1aoc s SER 44 N 2.27 0.10 0.00 4.52 1.04 -1.26 -3.94 113.70 116.43 1aoc s SER 44 Ca 0.90 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1aoc s SER 44 Cb -0.92 0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.86 1aoc s SER 44 CO 0.53 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1aoc n GLY 45 N -0.45 -0.22 3.77 7.32 0.00 -1.26 -5.01 105.19 109.33 1aoc n GLY 45 Ca -0.02 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1aoc n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aoc s ARG 46 N -2.00 4.42 -1.34 1.61 1.70 -1.26 -3.22 118.95 118.86 1aoc s ARG 46 Ca 0.00 1.84 -0.06 0.00 -0.47 0.00 0.00 55.73 57.04 1aoc s ARG 46 Cb 0.00 -2.99 0.02 0.00 -0.57 0.00 0.00 34.95 31.41 1aoc s ARG 46 CO 0.00 -0.00 1.05 0.41 -1.08 0.00 0.00 175.30 175.67 1aoc n GLY 47 N 0.91 -0.46 0.00 3.88 0.00 -1.26 -4.94 105.19 103.32 1aoc n GLY 47 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1aoc n GLY 47 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1aoc n PHE 48 N -4.63 0.00 -3.56 1.61 7.35 -1.20 -5.19 117.46 111.84 1aoc n PHE 48 Ca -0.10 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.50 1aoc n PHE 48 Cb 0.60 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.39 1aoc n PHE 48 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1aoc s SER 49 N 1.27 -0.33 0.26 -2.13 0.15 -1.26 -4.96 113.70 106.70 1aoc s SER 49 Ca 0.00 0.22 0.26 0.00 0.70 0.00 0.00 55.95 57.12 1aoc s SER 49 Cb 0.00 0.30 0.83 0.00 -1.71 0.00 0.00 66.02 65.44 1aoc s SER 49 CO 0.00 -0.40 1.75 -0.29 1.20 0.00 0.00 173.24 175.50 1aoc h ILE 50 N 2.30 0.00 -0.01 6.45 2.10 -1.93 -3.14 117.51 123.29 1aoc h ILE 50 Ca -0.18 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.29 1aoc h ILE 50 Cb 1.19 1.40 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1aoc h ILE 50 CO 0.30 0.00 -0.27 0.49 -1.08 0.00 0.00 178.15 177.58 1aoc n PHE 51 N -2.38 0.00 0.96 2.19 3.72 -1.26 -4.16 117.46 116.52 1aoc n PHE 51 Ca 0.04 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.50 1aoc n PHE 51 Cb 0.38 -0.17 0.35 0.00 -0.94 0.00 0.00 39.48 39.10 1aoc n PHE 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1aoc n SER 52 N -0.90 0.00 0.01 4.37 7.64 -1.19 -1.85 113.62 121.70 1aoc n SER 52 Ca 0.11 -0.59 0.11 0.00 1.01 0.00 0.00 58.87 59.51 1aoc n SER 52 Cb 0.33 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 1aoc n SER 52 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1aoc n HIS 53 N -0.88 0.10 -3.83 1.43 -0.00 -1.26 -4.65 115.22 106.13 1aoc n HIS 53 Ca 0.09 0.03 -0.35 0.00 -0.00 0.00 0.00 57.72 57.49 1aoc n HIS 53 Cb 0.04 -0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 29.68 1aoc n HIS 53 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1aoc s HIS 54 N -3.17 3.38 0.24 1.57 5.04 -0.77 -5.02 115.29 116.56 1aoc s HIS 54 Ca 0.04 0.27 -0.05 0.00 -1.54 0.00 0.00 55.06 53.78 1aoc s HIS 54 Cb 0.15 -2.11 0.36 0.00 0.04 0.00 0.00 32.58 31.02 1aoc s HIS 54 CO 0.84 0.29 1.82 -1.00 -2.34 0.00 0.00 174.74 174.35 1aoc h PRO 55 N 6.51 0.79 -0.19 2.88 0.13 -1.89 0.52 132.00 140.74 1aoc h PRO 55 Ca -0.41 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1aoc h PRO 55 Cb 1.16 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 1aoc h PRO 55 CO 0.73 0.53 0.03 0.28 -0.23 0.00 0.00 178.00 179.33 1aoc h VAL 56 N 0.82 1.23 -0.64 1.56 2.07 -1.93 -2.87 116.25 116.49 1aoc h VAL 56 Ca 0.38 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1aoc h VAL 56 Cb 0.30 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 1aoc h VAL 56 CO -0.22 0.23 0.08 -0.26 0.02 0.00 0.00 177.57 177.42 1aoc h PHE 57 N 0.11 1.13 -0.06 1.57 -1.00 -1.72 -1.47 116.94 115.51 1aoc h PHE 57 Ca 0.06 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 1aoc h PHE 57 Cb 0.33 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 1aoc h PHE 57 CO 0.02 0.96 -0.12 -0.09 -1.61 0.00 0.00 178.31 177.48 1aoc h ARG 58 N 0.99 0.09 0.18 1.51 9.65 -0.91 0.39 114.38 126.28 1aoc h ARG 58 Ca 0.19 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 1aoc h ARG 58 Cb 0.46 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1aoc h ARG 58 CO 0.02 0.22 -0.09 1.49 2.80 0.00 0.00 179.97 184.40 1aoc h GLU 59 N 0.09 -0.24 -0.01 0.20 4.81 -1.21 -3.42 114.58 114.81 1aoc h GLU 59 Ca 0.02 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1aoc h GLU 59 Cb 0.27 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1aoc h GLU 59 CO 0.02 -0.14 -0.27 0.00 -0.73 0.00 0.00 179.01 177.89 1aoc n GLY 61 N -1.25 4.05 0.81 0.00 0.00 0.13 -3.75 105.19 105.17 1aoc n GLY 61 Ca 0.18 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1aoc n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aoc n LYS 62 N -0.77 2.05 -1.28 1.61 4.01 -1.26 -4.04 118.16 118.47 1aoc n LYS 62 Ca 0.50 -1.60 -0.27 0.00 -0.51 0.00 0.00 58.31 56.43 1aoc n LYS 62 Cb 1.49 -1.43 0.13 0.00 -0.51 0.00 0.00 35.03 34.72 1aoc n LYS 62 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1aoc n TYR 63 N 0.81 2.94 -1.73 2.13 4.02 -1.26 -4.86 117.16 119.20 1aoc n TYR 63 Ca 0.17 -2.37 -0.42 0.00 -0.01 0.00 0.00 57.90 55.27 1aoc n TYR 63 Cb 0.43 -1.09 -0.03 0.00 -0.02 0.00 0.00 39.34 38.64 1aoc n TYR 63 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1aoc n GLU 64 N -1.02 2.79 -0.32 -0.72 1.02 -1.26 -0.98 120.64 120.15 1aoc n GLU 64 Ca 0.58 1.00 0.17 0.00 -0.02 0.00 0.00 57.16 58.89 1aoc n GLU 64 Cb 1.13 -2.83 0.42 0.00 -0.02 0.00 0.00 31.44 30.13 1aoc n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aoc h ARG 66 N 0.58 0.00 0.00 0.00 0.11 -1.91 -3.20 114.38 109.96 1aoc h ARG 66 Ca 0.57 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.65 1aoc h ARG 66 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 1aoc h ARG 66 CO -0.32 0.03 -1.72 0.25 0.10 0.00 0.00 179.97 178.31 1aoc n THR 67 N -3.15 0.00 -2.31 0.08 -2.24 -0.70 -4.99 114.28 100.97 1aoc n THR 67 Ca -0.00 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 60.99 1aoc n THR 67 Cb 0.25 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 1aoc n THR 67 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1aoc s VAL 68 N -3.13 3.37 0.19 2.28 1.01 -0.98 -5.04 120.40 118.09 1aoc s VAL 68 Ca -0.06 1.18 0.10 0.00 0.00 0.00 0.00 61.98 63.20 1aoc s VAL 68 Cb 0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1aoc s VAL 68 CO 0.69 0.20 -0.16 -0.13 0.00 0.00 0.00 175.10 175.70 1aoc s ARG 69 N -0.40 1.82 0.25 2.72 0.52 -1.26 -5.00 118.95 117.60 1aoc s ARG 69 Ca 0.53 -1.38 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 1aoc s ARG 69 Cb -0.34 -2.02 0.39 0.00 0.52 0.00 0.00 34.95 33.50 1aoc s ARG 69 CO 0.39 0.42 1.83 -1.35 0.02 0.00 0.00 175.30 176.60 1aoc h PRO 70 N 3.04 0.84 0.00 3.54 0.11 -1.97 -2.35 132.00 135.21 1aoc h PRO 70 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1aoc h PRO 70 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1aoc h PRO 70 CO 0.51 0.56 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 1aoc n GLU 71 N -4.69 0.20 0.24 1.05 0.00 -1.26 -2.48 120.64 113.70 1aoc n GLU 71 Ca 0.14 0.44 0.16 0.00 0.00 0.00 0.00 57.16 57.90 1aoc n GLU 71 Cb 0.25 -1.89 0.70 0.00 0.00 0.00 0.00 31.44 30.50 1aoc n GLU 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1aoc h HIS 72 N 0.00 0.00 -0.41 -1.84 3.86 -1.84 -2.37 115.15 112.55 1aoc h HIS 72 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1aoc h HIS 72 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1aoc h HIS 72 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 1aoc n SER 73 N -2.79 3.45 -4.78 2.45 3.41 -1.03 -4.83 113.62 109.50 1aoc n SER 73 Ca 0.00 -2.24 -0.36 0.00 -0.26 0.00 0.00 58.87 56.01 1aoc n SER 73 Cb 0.23 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 1aoc n SER 73 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1aoc s ARG 74 N -1.44 3.85 0.39 4.33 1.81 -0.89 -4.29 118.95 122.71 1aoc s ARG 74 Ca 0.33 1.58 0.16 0.00 -1.72 0.00 0.00 55.73 56.07 1aoc s ARG 74 Cb 0.20 -2.34 1.02 0.00 -0.45 0.00 0.00 34.95 33.39 1aoc s ARG 74 CO 0.18 -0.42 1.82 0.00 -0.68 0.00 0.00 175.30 176.19 1aoc n TYR 76 N -4.58 0.00 -0.20 0.00 0.18 -1.26 -1.47 117.16 109.84 1aoc n TYR 76 Ca 0.22 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.11 1aoc n TYR 76 Cb 0.72 -0.19 0.28 0.00 -0.38 0.00 0.00 39.34 39.77 1aoc n TYR 76 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1aoc n ASN 77 N -1.19 3.70 -4.22 9.48 5.03 0.18 -4.42 115.26 123.82 1aoc n ASN 77 Ca 0.05 -1.99 -0.22 0.00 0.87 0.00 0.00 54.58 53.30 1aoc n ASN 77 Cb 0.06 -0.40 -0.13 0.00 -1.02 0.00 0.00 39.78 38.29 1aoc n ASN 77 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1aoc s PHE 78 N -1.10 1.50 0.43 3.10 0.40 -0.54 -4.97 117.98 116.80 1aoc s PHE 78 Ca 0.43 -0.41 -0.25 0.00 -0.60 0.00 0.00 56.93 56.09 1aoc s PHE 78 Cb 0.23 -0.85 -0.09 0.00 0.51 0.00 0.00 43.02 42.82 1aoc s PHE 78 CO 0.30 0.11 1.31 -0.35 0.70 0.00 0.00 175.22 177.29 1aoc n PRO 79 N 1.39 1.98 -0.04 0.24 -0.04 -1.26 0.76 135.00 138.04 1aoc n PRO 79 Ca -0.20 0.71 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1aoc n PRO 79 Cb 0.54 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.56 1aoc n PRO 79 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1aoc n PRO 80 N -0.06 1.07 -4.08 0.54 -0.04 -1.26 -4.95 135.00 126.21 1aoc n PRO 80 Ca 0.06 -0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.13 1aoc n PRO 80 Cb 0.40 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 1aoc n PRO 80 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1aoc n PHE 81 N 0.33 -1.62 -4.32 0.54 3.72 0.23 -4.95 117.46 111.39 1aoc n PHE 81 Ca 0.02 0.74 -0.31 0.00 -0.05 0.00 0.00 57.45 57.85 1aoc n PHE 81 Cb 0.47 -3.38 -0.10 0.00 -0.94 0.00 0.00 39.48 35.53 1aoc n PHE 81 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1aoc s THR 82 N -3.82 3.57 0.45 4.37 2.01 -1.26 -4.92 115.64 116.04 1aoc s THR 82 Ca 0.22 -1.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1aoc s THR 82 Cb -0.12 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1aoc s THR 82 CO 0.92 0.24 0.79 -1.00 -0.69 0.00 0.00 174.62 174.87 1aoc s HIS 83 N -1.13 3.52 0.22 4.92 3.76 -1.26 -3.99 115.29 121.33 1aoc s HIS 83 Ca 0.20 0.95 -0.08 0.00 -0.15 0.00 0.00 55.06 55.98 1aoc s HIS 83 Cb -0.11 -2.39 -0.07 0.00 1.11 0.00 0.00 32.58 31.12 1aoc s HIS 83 CO 0.12 -0.21 0.52 -0.06 -0.85 0.00 0.00 174.74 174.26 1aoc s PHE 84 N -2.57 3.44 -0.09 1.40 0.08 -1.26 -5.02 117.98 113.96 1aoc s PHE 84 Ca 0.50 0.80 -0.23 0.00 0.12 0.00 0.00 56.93 58.12 1aoc s PHE 84 Cb -0.10 -2.20 -0.19 0.00 -0.57 0.00 0.00 43.02 39.95 1aoc s PHE 84 CO 0.38 0.29 0.80 -0.22 -0.10 0.00 0.00 175.22 176.37 1aoc h LYS 85 N 2.51 -0.07 -3.94 0.44 1.63 -1.98 -3.44 116.57 111.71 1aoc h LYS 85 Ca -0.47 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 58.84 1aoc h LYS 85 Cb 1.17 0.02 -0.38 0.00 -0.60 0.00 0.00 32.23 32.44 1aoc h LYS 85 CO 0.69 0.55 -0.78 -1.12 -3.45 0.00 0.00 179.45 175.34 1aoc s SER 86 N -5.81 2.20 -0.13 4.20 0.01 -1.26 -5.11 113.70 107.80 1aoc s SER 86 Ca -0.14 -0.37 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1aoc s SER 86 Cb -0.01 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 1aoc s SER 86 CO 0.54 -0.18 -0.10 -0.70 0.41 0.00 0.00 173.24 173.21 1aoc s GLU 87 N 1.80 3.40 1.09 12.44 2.12 -1.26 -0.68 118.70 137.61 1aoc s GLU 87 Ca 0.03 -0.63 -0.13 0.00 0.36 0.00 0.00 54.97 54.61 1aoc s GLU 87 Cb -0.14 -2.70 0.24 0.00 0.26 0.00 0.00 34.13 31.80 1aoc s GLU 87 CO -0.07 0.26 1.06 0.00 -0.54 0.00 0.00 175.26 175.97 1aoc s PRO 89 N -4.69 3.51 0.11 0.00 0.02 -1.26 -4.75 135.00 127.94 1aoc s PRO 89 Ca 0.67 2.20 0.08 0.00 0.02 0.00 0.00 61.00 63.97 1aoc s PRO 89 Cb -0.22 -2.47 -0.04 0.00 0.02 0.00 0.00 34.50 31.79 1aoc s PRO 89 CO 0.61 -0.88 -0.14 0.08 -0.33 0.00 0.00 177.00 176.34 1aoc s VAL 90 N -1.30 3.08 -0.21 3.83 1.01 -1.26 -0.54 120.40 125.00 1aoc s VAL 90 Ca 0.65 -1.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1aoc s VAL 90 Cb -0.39 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1aoc s VAL 90 CO 0.48 0.09 -0.13 -0.44 0.00 0.00 0.00 175.10 175.11 1aoc s SER 91 N -2.20 3.73 -0.23 3.32 0.01 0.72 -4.64 113.70 114.41 1aoc s SER 91 Ca 0.20 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 56.75 1aoc s SER 91 Cb -0.11 -1.59 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 1aoc s SER 91 CO 0.12 -0.03 0.06 -0.89 0.41 0.00 0.00 173.24 172.90 1aoc s THR 92 N 1.35 4.30 -0.01 1.44 2.01 -1.26 -0.92 115.64 122.55 1aoc s THR 92 Ca 0.04 -0.18 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1aoc s THR 92 Cb -0.14 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.37 1aoc s THR 92 CO -0.08 0.37 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.95 1aoc s ARG 93 N 1.34 1.17 0.57 4.92 1.81 -0.03 -4.99 118.95 123.75 1aoc s ARG 93 Ca 0.05 -0.50 -0.17 0.00 -1.72 0.00 0.00 55.73 53.39 1aoc s ARG 93 Cb -0.15 -1.12 -0.04 0.00 -0.45 0.00 0.00 34.95 33.18 1aoc s ARG 93 CO 0.03 0.29 1.07 0.34 -0.68 0.00 0.00 175.30 176.35 1aoc s ASP 94 N -0.28 5.81 -0.13 0.23 2.15 -1.26 -0.45 116.67 122.74 1aoc s ASP 94 Ca 0.04 1.91 -0.06 0.00 0.43 0.00 0.00 52.55 54.87 1aoc s ASP 94 Cb -0.06 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.07 1aoc s ASP 94 CO -0.00 -1.15 0.29 0.00 -0.17 0.00 0.00 175.17 174.14 1aoc n GLU 96 N 4.54 1.22 -2.07 0.00 2.13 -1.26 -1.16 120.64 124.03 1aoc n GLU 96 Ca -0.20 -3.86 -0.38 0.00 0.66 0.00 0.00 57.16 53.38 1aoc n GLU 96 Cb 0.52 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.36 1aoc n GLU 96 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1aoc s PRO 97 N -1.11 3.71 -0.01 5.31 0.04 -1.26 -4.95 135.00 136.74 1aoc s PRO 97 Ca 0.32 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.55 1aoc s PRO 97 Cb 0.06 -2.52 -0.20 0.00 0.04 0.00 0.00 34.50 31.87 1aoc s PRO 97 CO -0.14 -0.67 0.52 1.33 0.04 0.00 0.00 177.00 178.08 1aoc n VAL 98 N -0.34 0.00 -3.65 -0.36 0.24 -1.26 -4.66 118.33 108.30 1aoc n VAL 98 Ca 0.06 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 1aoc n VAL 98 Cb 0.45 0.62 -0.02 0.00 -1.47 0.00 0.00 33.84 33.42 1aoc n VAL 98 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 1aoc s PHE 99 N -2.74 -0.32 0.18 6.34 -0.12 -1.26 -1.25 117.98 118.80 1aoc s PHE 99 Ca 0.01 -0.01 -0.24 0.00 -0.05 0.00 0.00 56.93 56.64 1aoc s PHE 99 Cb 0.11 0.57 0.07 0.00 -0.63 0.00 0.00 43.02 43.14 1aoc s PHE 99 CO 0.64 -1.00 0.97 0.20 -0.05 0.00 0.00 175.22 175.99 1aoc s GLY 100 N -2.84 -0.09 -0.20 1.99 0.00 -0.44 -4.75 107.32 100.99 1aoc s GLY 100 Ca 0.06 -0.07 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 1aoc s GLY 100 CO -0.04 0.68 0.02 -0.19 0.00 0.00 0.00 173.10 173.58 1aoc s TYR 101 N -2.89 3.09 1.07 1.90 2.02 -1.25 -0.90 117.35 120.39 1aoc s TYR 101 Ca 0.15 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1aoc s TYR 101 Cb -0.02 -2.10 0.23 0.00 -0.40 0.00 0.00 41.96 39.67 1aoc s TYR 101 CO 0.04 -0.15 1.06 0.95 -1.57 0.00 0.00 175.55 175.88 1aoc s THR 102 N 0.92 2.09 0.62 -0.71 -4.23 0.29 -4.52 115.64 110.10 1aoc s THR 102 Ca 0.02 0.03 0.31 0.00 -1.18 0.00 0.00 61.69 60.87 1aoc s THR 102 Cb -0.14 -2.29 0.35 0.00 1.34 0.00 0.00 72.50 71.77 1aoc s THR 102 CO 0.02 -0.04 2.03 0.58 -0.54 0.00 0.00 174.62 176.67 1aoc h VAL 103 N -2.24 0.23 -0.43 2.29 2.07 -0.93 0.55 116.25 117.79 1aoc h VAL 103 Ca -0.57 0.00 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1aoc h VAL 103 Cb 1.33 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1aoc h VAL 103 CO 0.53 0.00 0.00 0.00 0.02 0.00 0.00 177.57 178.12 1aoc n ALA 104 N -2.15 2.48 -0.97 1.67 0.00 -1.26 -4.93 120.51 115.35 1aoc n ALA 104 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1aoc n ALA 104 Cb 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1aoc n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aoc n GLY 105 N 1.14 0.53 3.83 0.00 0.00 0.19 -5.02 105.19 105.86 1aoc n GLY 105 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1aoc n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aoc s GLU 106 N -0.32 4.18 0.23 1.61 2.02 -1.26 -4.68 118.70 120.50 1aoc s GLU 106 Ca 0.00 0.90 -0.30 0.00 0.02 0.00 0.00 54.97 55.59 1aoc s GLU 106 Cb 0.00 -2.53 -0.09 0.00 0.10 0.00 0.00 34.13 31.61 1aoc s GLU 106 CO 0.00 0.19 0.97 0.12 0.02 0.00 0.00 175.26 176.56 1aoc s PHE 107 N -1.87 3.89 -0.08 1.61 5.36 -1.26 -0.54 117.98 125.09 1aoc s PHE 107 Ca 0.53 1.86 -0.09 0.00 -0.96 0.00 0.00 56.93 58.27 1aoc s PHE 107 Cb -0.13 -3.05 0.02 0.00 -0.34 0.00 0.00 43.02 39.53 1aoc s PHE 107 CO 0.18 0.23 0.24 1.03 -1.46 0.00 0.00 175.22 175.45 1aoc s ARG 108 N -1.09 0.33 -0.17 10.12 1.81 -0.08 -4.90 118.95 124.97 1aoc s ARG 108 Ca 0.42 0.24 -0.26 0.00 -1.72 0.00 0.00 55.73 54.42 1aoc s ARG 108 Cb -0.27 0.16 -0.01 0.00 -0.45 0.00 0.00 34.95 34.37 1aoc s ARG 108 CO 0.33 -0.05 0.86 0.08 -0.68 0.00 0.00 175.30 175.84 1aoc s VAL 109 N -0.10 4.86 -0.17 3.52 1.01 -1.26 -1.33 120.40 126.93 1aoc s VAL 109 Ca -0.02 1.69 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1aoc s VAL 109 Cb -0.02 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1aoc s VAL 109 CO 0.01 0.00 0.54 -0.63 0.00 0.00 0.00 175.10 175.02 1aoc s ILE 110 N 2.26 5.11 0.12 2.22 1.01 -0.38 -1.92 121.20 129.61 1aoc s ILE 110 Ca 0.39 1.03 -0.31 0.00 0.00 0.00 0.00 60.65 61.76 1aoc s ILE 110 Cb -0.16 -3.87 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1aoc s ILE 110 CO 0.12 0.21 1.86 0.52 0.00 0.00 0.00 174.94 177.65 1aoc n VAL 111 N 4.25 0.40 -3.58 2.92 0.31 -0.90 -4.52 118.33 117.21 1aoc n VAL 111 Ca -0.05 -0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 63.96 1aoc n VAL 111 Cb 0.51 -2.16 -0.16 0.00 -0.91 0.00 0.00 33.84 31.11 1aoc n VAL 111 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1aoc s GLN 112 N 2.89 0.10 -0.46 5.55 -1.52 -1.26 -4.31 119.66 120.65 1aoc s GLN 112 Ca 0.82 -0.06 0.06 0.00 -1.95 0.00 0.00 55.36 54.23 1aoc s GLN 112 Cb -0.47 -1.66 0.21 0.00 -0.22 0.00 0.00 33.01 30.88 1aoc s GLN 112 CO 0.37 -0.70 0.47 0.00 -0.25 0.00 0.00 175.29 175.18 1aoc n ALA 113 N 5.29 2.87 -0.24 6.09 0.00 0.55 -4.85 120.51 130.21 1aoc n ALA 113 Ca -0.07 -3.53 0.05 0.00 0.00 0.00 0.00 53.44 49.89 1aoc n ALA 113 Cb 0.49 -0.82 0.17 0.00 0.00 0.00 0.00 19.45 19.29 1aoc n ALA 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1aoc h PRO 114 N 4.81 0.24 0.00 0.00 0.11 -1.96 -2.14 132.00 133.05 1aoc h PRO 114 Ca 0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 1aoc h PRO 114 Cb 0.86 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1aoc h PRO 114 CO 0.49 0.16 -0.06 0.00 -0.21 0.00 0.00 178.00 178.38 1aoc h ARG 115 N 0.25 0.00 -0.23 1.05 3.08 -1.94 -2.58 114.38 114.02 1aoc h ARG 115 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1aoc h ARG 115 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1aoc h ARG 115 CO -0.52 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.44 1aoc n ALA 116 N -2.16 2.40 -0.92 0.04 0.00 -0.87 -5.00 120.51 114.00 1aoc n ALA 116 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1aoc n ALA 116 Cb 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1aoc n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aoc n GLY 117 N 1.05 0.59 2.81 0.00 0.00 -0.97 -4.89 105.19 103.78 1aoc n GLY 117 Ca 0.14 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 1aoc n GLY 117 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aoc s PHE 118 N -2.00 1.56 -0.01 1.61 5.36 -0.86 -5.03 117.98 118.60 1aoc s PHE 118 Ca 0.00 -1.24 0.04 0.00 -0.96 0.00 0.00 56.93 54.78 1aoc s PHE 118 Cb 0.00 -1.27 -0.01 0.00 -0.34 0.00 0.00 43.02 41.40 1aoc s PHE 118 CO 0.00 -0.69 -0.14 1.03 -1.46 0.00 0.00 175.22 173.97 1aoc s ARG 119 N 1.68 1.13 -0.15 10.12 0.52 -1.26 -0.33 118.95 130.66 1aoc s ARG 119 Ca -0.02 -0.48 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1aoc s ARG 119 Cb -0.18 -1.08 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 1aoc s ARG 119 CO -0.08 0.28 -0.10 -0.65 0.02 0.00 0.00 175.30 174.76 1aoc s GLN 120 N -0.28 3.43 -0.03 3.54 -0.21 -1.26 -0.52 119.66 124.34 1aoc s GLN 120 Ca 0.04 -0.65 0.04 0.00 0.02 0.00 0.00 55.36 54.82 1aoc s GLN 120 Cb -0.06 -2.73 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 1aoc s GLN 120 CO -0.00 0.17 -0.16 0.00 -2.12 0.00 0.00 175.29 173.18 1aoc s VAL 122 N -0.10 -0.25 0.20 0.00 1.01 -0.31 -4.74 120.40 116.21 1aoc s VAL 122 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1aoc s VAL 122 Cb -0.09 -0.90 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 1aoc s VAL 122 CO 0.01 -0.51 1.56 0.26 0.00 0.00 0.00 175.10 176.42 1aoc s TRP 123 N 2.25 3.01 -0.09 5.22 0.52 -1.26 -3.71 118.94 124.87 1aoc s TRP 123 Ca 0.08 0.70 -0.15 0.00 0.02 0.00 0.00 56.10 56.76 1aoc s TRP 123 Cb -0.15 -3.94 -0.05 0.00 -1.15 0.00 0.00 33.47 28.18 1aoc s TRP 123 CO -0.29 -3.37 0.36 -0.65 0.02 0.00 0.00 176.95 173.02 1aoc s GLN 124 N 0.66 4.08 -0.41 4.98 -1.52 0.41 -4.77 119.66 123.07 1aoc s GLN 124 Ca 0.68 0.27 0.02 0.00 -1.95 0.00 0.00 55.36 54.38 1aoc s GLN 124 Cb -0.44 -3.33 0.11 0.00 -0.22 0.00 0.00 33.01 29.13 1aoc s GLN 124 CO 0.36 0.44 0.15 -1.01 -0.25 0.00 0.00 175.29 174.98 1aoc s HIS 125 N -0.22 3.58 0.18 0.91 3.76 0.68 -0.85 115.29 123.33 1aoc s HIS 125 Ca 0.21 -2.92 0.04 0.00 -0.15 0.00 0.00 55.06 52.24 1aoc s HIS 125 Cb -0.15 -2.98 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 1aoc s HIS 125 CO 0.09 -0.90 0.28 0.15 -0.85 0.00 0.00 174.74 173.51 1aoc s LYS 126 N 0.61 3.33 0.01 1.40 1.02 -0.09 -3.02 119.74 123.00 1aoc s LYS 126 Ca 0.12 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1aoc s LYS 126 Cb -0.21 -2.88 -0.08 0.00 -0.52 0.00 0.00 37.83 34.14 1aoc s LYS 126 CO -0.05 0.49 1.79 0.00 -0.92 0.00 0.00 175.35 176.65 1aoc h ARG 128 N 9.73 0.14 -4.28 0.00 2.43 -1.08 -3.37 114.38 117.94 1aoc h ARG 128 Ca -0.44 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.09 1aoc h ARG 128 Cb 1.21 -0.03 -0.39 0.00 -0.42 0.00 0.00 29.97 30.33 1aoc h ARG 128 CO 0.94 0.10 -0.75 -0.06 -1.51 0.00 0.00 179.97 178.69 1aoc s PHE 129 N -6.15 2.80 0.68 2.20 0.08 -1.26 -4.99 117.98 111.34 1aoc s PHE 129 Ca -0.13 -2.29 -0.11 0.00 0.12 0.00 0.00 56.93 54.52 1aoc s PHE 129 Cb 0.07 -2.19 -0.00 0.00 -0.57 0.00 0.00 43.02 40.33 1aoc s PHE 129 CO 0.68 -0.88 1.07 0.20 -0.10 0.00 0.00 175.22 176.19 1aoc s GLY 130 N 1.24 1.64 0.00 4.36 0.00 -1.26 -4.34 107.32 108.96 1aoc s GLY 130 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.49 1aoc s GLY 130 CO -0.12 0.06 0.00 1.44 0.00 0.00 0.00 173.10 174.47 1aoc n SER 131 N -2.92 0.00 -4.72 1.64 7.64 -0.01 -4.85 113.62 110.41 1aoc n SER 131 Ca 0.07 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.63 1aoc n SER 131 Cb 0.56 -0.60 0.12 0.00 -1.01 0.00 0.00 64.21 63.28 1aoc n SER 131 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1aoc s ASN 132 N -0.91 3.77 0.41 6.43 4.22 -1.26 -3.93 114.94 123.67 1aoc s ASN 132 Ca 0.00 2.11 -0.26 0.00 -2.14 0.00 0.00 52.86 52.56 1aoc s ASN 132 Cb 0.00 -2.56 -0.09 0.00 1.28 0.00 0.00 41.25 39.88 1aoc s ASN 132 CO 0.00 -2.53 1.40 -0.55 -2.04 0.00 0.00 177.10 173.37 1aoc s SER 133 N -2.74 6.19 0.06 3.54 0.15 -1.26 -1.63 113.70 118.00 1aoc s SER 133 Ca 0.67 2.86 0.00 0.00 0.70 0.00 0.00 55.95 60.17 1aoc s SER 133 Cb -0.22 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 1aoc s SER 133 CO 0.54 -0.95 0.00 0.00 1.20 0.00 0.00 173.24 174.02 1aoc n GLY 135 N 2.39 1.77 0.16 0.00 0.00 -1.26 -4.97 105.19 103.29 1aoc n GLY 135 Ca 0.00 -1.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.10 1aoc n GLY 135 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1aoc h TYR 136 N 0.00 0.74 0.00 1.61 3.20 -1.99 -3.39 116.97 117.14 1aoc h TYR 136 Ca 0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1aoc h TYR 136 Cb 0.00 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.17 1aoc h TYR 136 CO 0.00 1.19 0.00 0.27 -1.64 0.00 0.00 178.16 177.98 1aoc n ASN 137 N -4.14 0.15 -4.70 -2.11 6.94 -1.26 -5.11 115.26 105.03 1aoc n ASN 137 Ca -0.10 -1.02 -0.29 0.00 -0.02 0.00 0.00 54.58 53.15 1aoc n ASN 137 Cb 0.70 0.00 0.16 0.00 -2.36 0.00 0.00 39.78 38.27 1aoc n ASN 137 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1aoc s GLY 138 N -0.02 1.58 -0.03 4.83 0.00 -1.26 -4.71 107.32 107.70 1aoc s GLY 138 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1aoc s GLY 138 CO 0.00 0.27 0.05 -1.60 0.00 0.00 0.00 173.10 171.82 1aoc s ARG 139 N -5.00 -0.06 -0.15 2.90 3.00 -1.20 -3.41 118.95 115.04 1aoc s ARG 139 Ca 0.64 0.30 -0.32 0.00 -1.00 0.00 0.00 55.73 55.35 1aoc s ARG 139 Cb -0.18 -0.38 -0.09 0.00 0.00 0.00 0.00 34.95 34.30 1aoc s ARG 139 CO 0.57 -0.25 2.05 0.00 0.00 0.00 0.00 175.30 177.66 1aoc s THR 141 N 5.91 2.66 -0.10 0.00 2.01 -0.60 -0.83 115.64 124.70 1aoc s THR 141 Ca 0.98 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1aoc s THR 141 Cb -0.59 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1aoc s THR 141 CO 0.45 0.56 1.44 -1.58 -0.69 0.00 0.00 174.62 174.81 1aoc s GLN 142 N -0.19 4.22 -0.20 4.92 2.00 -1.26 -2.63 119.66 126.52 1aoc s GLN 142 Ca -0.01 1.92 -0.15 0.00 -2.00 0.00 0.00 55.36 55.11 1aoc s GLN 142 Cb -0.13 -3.84 -0.04 0.00 0.80 0.00 0.00 33.01 29.79 1aoc s GLN 142 CO 0.03 -0.75 0.38 -1.14 -0.50 0.00 0.00 175.29 173.31 1aoc s GLN 143 N 3.63 4.17 0.29 1.67 2.00 0.96 -4.98 119.66 127.40 1aoc s GLN 143 Ca 0.64 0.16 0.08 0.00 -2.00 0.00 0.00 55.36 54.24 1aoc s GLN 143 Cb -0.28 -3.54 -0.04 0.00 0.80 0.00 0.00 33.01 29.96 1aoc s GLN 143 CO 0.22 -0.03 0.12 1.03 -0.50 0.00 0.00 175.29 176.13 1aoc s ARG 144 N 1.28 2.52 0.32 1.67 0.52 -1.26 -1.38 118.95 122.63 1aoc s ARG 144 Ca 0.18 -1.35 0.08 0.00 -0.52 0.00 0.00 55.73 54.12 1aoc s ARG 144 Cb -0.15 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.00 1aoc s ARG 144 CO 0.08 0.27 0.28 0.45 0.02 0.00 0.00 175.30 176.39 1aoc n SER 145 N -1.09 -0.69 -4.32 0.23 2.88 0.11 -4.82 113.62 105.91 1aoc n SER 145 Ca -0.05 -3.15 -0.32 0.00 -1.33 0.00 0.00 58.87 54.02 1aoc n SER 145 Cb 0.59 1.64 -0.15 0.00 -0.75 0.00 0.00 64.21 65.54 1aoc n SER 145 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1aoc s VAL 146 N -3.32 2.58 0.04 2.46 1.01 -1.26 -0.02 120.40 121.89 1aoc s VAL 146 Ca 0.39 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1aoc s VAL 146 Cb 0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1aoc s VAL 146 CO 0.28 0.55 -0.15 0.54 0.00 0.00 0.00 175.10 176.32 1aoc s VAL 147 N 0.13 1.20 -0.15 2.92 0.11 0.50 -4.94 120.40 120.17 1aoc s VAL 147 Ca -0.09 -1.02 -0.05 0.00 -2.93 0.00 0.00 61.98 57.89 1aoc s VAL 147 Cb -0.16 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 1aoc s VAL 147 CO 0.06 0.05 0.03 -0.13 -3.33 0.00 0.00 175.10 171.77 1aoc s ARG 148 N -1.12 3.65 0.12 1.54 0.52 -1.26 -0.27 118.95 122.13 1aoc s ARG 148 Ca 0.03 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 1aoc s ARG 148 Cb -0.08 -3.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1aoc s ARG 148 CO 0.01 0.39 -0.14 -0.51 0.02 0.00 0.00 175.30 175.08 1aoc s LEU 149 N -0.00 2.39 0.04 2.53 1.43 -0.49 -4.82 118.68 119.75 1aoc s LEU 149 Ca 0.04 -0.79 -0.31 0.00 -1.03 0.00 0.00 54.13 52.05 1aoc s LEU 149 Cb -0.13 -0.55 -0.06 0.00 0.03 0.00 0.00 46.19 45.48 1aoc s LEU 149 CO 0.01 -0.14 1.36 -0.69 0.23 0.00 0.00 176.35 177.13 1aoc s VAL 150 N -2.04 3.64 0.36 -1.59 1.01 -1.25 -2.01 120.40 118.53 1aoc s VAL 150 Ca 0.08 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.25 1aoc s VAL 150 Cb -0.05 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 1aoc s VAL 150 CO 0.03 0.04 -0.02 0.42 0.00 0.00 0.00 175.10 175.57 1aoc s THR 151 N 1.80 2.35 -0.25 3.92 -4.23 0.14 -2.13 115.64 117.25 1aoc s THR 151 Ca 0.63 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.08 1aoc s THR 151 Cb -0.33 -2.78 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1aoc s THR 151 CO 0.28 -0.15 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.67 1aoc s TYR 152 N -2.59 3.08 -0.27 3.99 5.04 -0.81 -1.19 117.35 124.60 1aoc s TYR 152 Ca 0.34 -1.62 -0.29 0.00 -2.44 0.00 0.00 57.07 53.07 1aoc s TYR 152 Cb 0.03 -2.05 0.01 0.00 0.35 0.00 0.00 41.96 40.30 1aoc s TYR 152 CO 0.18 -0.74 1.05 1.21 -1.34 0.00 0.00 175.55 175.91 1aoc s ASN 153 N 1.31 7.02 0.09 4.32 2.47 0.26 -4.41 114.94 125.98 1aoc s ASN 153 Ca -0.00 1.22 -0.25 0.00 0.42 0.00 0.00 52.86 54.24 1aoc s ASN 153 Cb -0.17 -2.54 -0.16 0.00 -1.45 0.00 0.00 41.25 36.94 1aoc s ASN 153 CO -0.05 -0.77 1.71 -0.07 -3.72 0.00 0.00 177.10 174.21 1aoc h LEU 154 N 9.74 -0.19 -0.07 3.21 3.38 -1.97 -0.49 115.31 128.92 1aoc h LEU 154 Ca -0.20 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.79 1aoc h LEU 154 Cb 1.06 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1aoc h LEU 154 CO 1.00 -0.13 -0.17 -0.08 0.09 0.00 0.00 178.44 179.15 1aoc h GLU 155 N -0.22 -0.15 -0.70 1.13 4.81 -1.97 -2.41 114.58 115.07 1aoc h GLU 155 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1aoc h GLU 155 Cb 0.17 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1aoc h GLU 155 CO 0.03 -0.10 0.00 1.63 -0.73 0.00 0.00 179.01 179.84 1aoc n LYS 156 N -3.46 2.57 -3.00 1.92 4.76 -1.24 -4.95 118.16 114.76 1aoc n LYS 156 Ca -0.02 -1.41 -0.06 0.00 -2.87 0.00 0.00 58.31 53.96 1aoc n LYS 156 Cb 0.11 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1aoc n LYS 156 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1aoc n ASP 157 N 0.34 -0.88 -1.83 4.39 5.75 -0.22 -4.90 116.55 119.20 1aoc n ASP 157 Ca 0.13 -0.20 -0.05 0.00 -0.01 0.00 0.00 54.79 54.65 1aoc n ASP 157 Cb 0.59 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1aoc n ASP 157 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1aoc n GLY 158 N -0.82 2.07 3.90 6.12 0.00 -1.08 -4.98 105.19 110.39 1aoc n GLY 158 Ca -0.05 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1aoc n GLY 158 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aoc s PHE 159 N -5.11 3.57 -0.10 1.61 0.08 -1.26 -0.58 117.98 116.18 1aoc s PHE 159 Ca 0.10 0.42 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 1aoc s PHE 159 Cb -0.01 -1.87 0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1aoc s PHE 159 CO 0.07 0.68 0.28 -0.51 -0.10 0.00 0.00 175.22 175.63 1aoc s LEU 160 N -1.65 0.89 0.25 -0.37 1.43 -0.33 -4.90 118.68 114.01 1aoc s LEU 160 Ca 0.23 0.56 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 1aoc s LEU 160 Cb -0.12 0.94 -0.09 0.00 0.03 0.00 0.00 46.19 46.94 1aoc s LEU 160 CO 0.14 -0.10 0.99 0.00 0.23 0.00 0.00 176.35 177.61 1aoc s GLU 162 N -1.23 0.75 -0.17 0.00 0.41 -0.85 -4.91 118.70 112.71 1aoc s GLU 162 Ca 0.42 -1.30 -0.06 0.00 -0.41 0.00 0.00 54.97 53.62 1aoc s GLU 162 Cb -0.28 0.01 -0.04 0.00 -1.78 0.00 0.00 34.13 32.05 1aoc s GLU 162 CO 0.35 -0.08 0.03 -1.12 -0.49 0.00 0.00 175.26 173.94 1aoc s SER 163 N -2.99 5.37 0.06 -0.19 0.01 -1.26 -1.40 113.70 113.30 1aoc s SER 163 Ca 0.11 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.46 1aoc s SER 163 Cb 0.07 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1aoc s SER 163 CO -0.06 0.19 -0.16 -0.36 0.41 0.00 0.00 173.24 173.25 1aoc s PHE 164 N 0.27 1.42 0.14 2.43 0.40 0.63 -0.20 117.98 123.06 1aoc s PHE 164 Ca 0.02 -0.40 -0.25 0.00 -0.60 0.00 0.00 56.93 55.69 1aoc s PHE 164 Cb -0.13 -0.81 -0.07 0.00 0.51 0.00 0.00 43.02 42.51 1aoc s PHE 164 CO 0.01 0.08 0.78 1.03 0.70 0.00 0.00 175.22 177.82 1aoc s ARG 165 N -1.47 4.56 -0.00 0.44 0.52 -1.26 -0.37 118.95 121.37 1aoc s ARG 165 Ca 0.02 1.15 0.04 0.00 -0.52 0.00 0.00 55.73 56.42 1aoc s ARG 165 Cb -0.09 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 1aoc s ARG 165 CO 0.02 0.49 -0.13 -0.08 0.02 0.00 0.00 175.30 175.62 1aoc s THR 166 N -0.85 1.06 -0.42 0.02 -1.32 0.97 -4.27 115.64 110.83 1aoc s THR 166 Ca 0.37 -0.65 -0.29 0.00 -1.21 0.00 0.00 61.69 59.91 1aoc s THR 166 Cb -0.23 -0.90 0.03 0.00 -1.51 0.00 0.00 72.50 69.89 1aoc s THR 166 CO 0.26 0.24 1.11 0.00 -2.21 0.00 0.00 174.62 174.01 1aoc s GLY 169 N -2.93 -0.22 -0.41 0.00 0.00 -1.15 -2.29 107.32 100.32 1aoc s GLY 169 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 44.72 44.97 1aoc s GLY 169 CO 0.57 6.60 0.42 0.00 0.00 0.00 0.00 173.10 180.69 1aoc s PRO 171 N -0.34 3.58 -0.68 0.00 0.04 -1.08 -0.33 135.00 136.20 1aoc s PRO 171 Ca 0.34 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.53 1aoc s PRO 171 Cb 0.09 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1aoc s PRO 171 CO -0.17 -0.62 1.14 0.00 0.04 0.00 0.00 177.00 177.39 1aoc n ARG 173 N 8.57 3.24 -0.52 0.00 5.12 -1.12 -4.80 116.66 127.16 1aoc n ARG 173 Ca 0.01 -3.41 -0.04 0.00 -1.93 0.00 0.00 57.85 52.48 1aoc n ARG 173 Cb 0.48 -3.31 0.02 0.00 -1.16 0.00 0.00 32.46 28.49 1aoc n ARG 173 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1aoc n SER 174 N 7.13 0.09 0.00 0.55 7.64 -1.26 -3.25 113.62 124.51 1aoc n SER 174 Ca 0.45 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 59.22 1aoc n SER 174 Cb 0.44 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1aoc n SER 174 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52