#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoc n ASP 2 N 0.00 0.00 -4.39 0.00 9.92 -1.26 -4.40 116.55 116.42 1aoc n ASP 2 Ca 0.00 0.65 -0.45 0.00 -0.53 0.00 0.00 54.79 54.47 1aoc n ASP 2 Cb 0.00 -0.17 -0.07 0.00 -0.64 0.00 0.00 41.12 40.24 1aoc n ASP 2 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1aoc s THR 3 N -1.63 5.11 -0.04 -3.53 -4.23 -1.26 -5.04 115.64 105.02 1aoc s THR 3 Ca 0.00 -1.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1aoc s THR 3 Cb 0.00 -4.24 0.01 0.00 1.34 0.00 0.00 72.50 69.61 1aoc s THR 3 CO 0.00 -0.73 -0.09 0.54 -0.54 0.00 0.00 174.62 173.79 1aoc s ASN 4 N 2.89 1.33 -0.29 3.99 4.22 -1.26 -5.12 114.94 120.69 1aoc s ASN 4 Ca 0.07 -0.21 -0.15 0.00 -2.14 0.00 0.00 52.86 50.43 1aoc s ASN 4 Cb -0.24 -0.46 0.15 0.00 1.28 0.00 0.00 41.25 41.98 1aoc s ASN 4 CO 0.07 0.05 0.97 0.00 -2.04 0.00 0.00 177.10 176.15 1aoc s ALA 5 N 0.39 -2.44 0.17 3.54 0.00 -1.26 -5.06 121.76 117.11 1aoc s ALA 5 Ca -0.07 2.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.92 1aoc s ALA 5 Cb -0.11 -1.84 0.07 0.00 0.00 0.00 0.00 23.12 21.24 1aoc s ALA 5 CO 0.01 -0.60 1.73 -1.35 0.00 0.00 0.00 175.76 175.56 1aoc h PRO 6 N 6.68 0.87 -4.76 0.00 0.11 -2.00 -3.50 132.00 129.41 1aoc h PRO 6 Ca -0.23 -0.15 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1aoc h PRO 6 Cb 1.16 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.03 1aoc h PRO 6 CO 0.15 0.74 -1.36 -0.89 -0.21 0.00 0.00 178.00 176.43 1aoc n ILE 7 N -4.49-12.44 -2.73 4.15 5.41 -1.26 -4.83 119.36 103.17 1aoc n ILE 7 Ca 0.03 2.72 -0.27 0.00 1.00 0.00 0.00 62.75 66.23 1aoc n ILE 7 Cb 0.15 -6.25 -0.00 0.00 -0.71 0.00 0.00 39.64 32.83 1aoc n ILE 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1aoc n LEU 9 N -2.19 4.16 0.00 0.00 4.77 -0.97 -1.46 117.00 121.32 1aoc n LEU 9 Ca -0.00 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 1aoc n LEU 9 Cb 0.55 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1aoc n LEU 9 CO 0.53 -0.04 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 1aoc n ASP 11 N -0.20 3.10 -3.65 0.00 9.92 -0.53 -4.47 116.55 120.71 1aoc n ASP 11 Ca 0.00 1.16 -0.01 0.00 -0.53 0.00 0.00 54.79 55.41 1aoc n ASP 11 Cb 0.10 -1.49 -0.06 0.00 -0.64 0.00 0.00 41.12 39.02 1aoc n ASP 11 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1aoc s GLU 12 N -0.86 0.26 0.11 -1.24 -6.30 -1.26 -4.87 118.70 104.55 1aoc s GLU 12 Ca 0.63 0.44 -0.21 0.00 -2.50 0.00 0.00 54.97 53.34 1aoc s GLU 12 Cb -0.58 0.06 -0.08 0.00 0.00 0.00 0.00 34.13 33.54 1aoc s GLU 12 CO 0.53 -0.05 1.75 -1.35 0.02 0.00 0.00 175.26 176.15 1aoc h PRO 13 N 5.47 0.11 -4.62 4.30 0.11 -1.95 -1.53 132.00 133.89 1aoc h PRO 13 Ca -0.27 -0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.22 1aoc h PRO 13 Cb 1.18 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 32.30 1aoc h PRO 13 CO 0.20 0.07 2.17 0.41 -0.21 0.00 0.00 178.00 180.64 1aoc n GLY 14 N -1.14 2.44 2.42 -0.55 0.00 -1.26 -4.09 105.19 103.01 1aoc n GLY 14 Ca -0.04 -1.21 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 1aoc n GLY 14 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aoc n VAL 15 N 6.22 -0.10 -3.16 1.61 0.31 -1.26 -3.78 118.33 118.17 1aoc n VAL 15 Ca 0.49 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.79 1aoc n VAL 15 Cb 0.41 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1aoc n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1aoc n LEU 16 N -1.80 -6.15 0.00 7.52 4.32 -0.57 -5.03 117.00 115.28 1aoc n LEU 16 Ca -0.16 -0.19 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 1aoc n LEU 16 Cb 0.52 -3.09 0.00 0.00 -1.62 0.00 0.00 43.42 39.23 1aoc n LEU 16 CO 0.23 -0.94 0.00 0.61 -1.22 0.00 0.00 177.39 176.07 1aoc n GLY 17 N -1.74 5.23 3.79 -0.72 0.00 -1.25 -4.87 105.19 105.65 1aoc n GLY 17 Ca -0.04 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.05 1aoc n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1aoc s ARG 18 N 4.91 3.90 -0.05 1.61 0.52 -1.26 -4.74 118.95 123.84 1aoc s ARG 18 Ca 0.00 -0.11 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 1aoc s ARG 18 Cb 0.00 -3.32 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 1aoc s ARG 18 CO 0.00 0.50 0.02 1.79 0.02 0.00 0.00 175.30 177.63 1aoc h THR 19 N 4.36 0.00 -1.64 0.02 1.35 -1.98 -3.48 112.91 111.53 1aoc h THR 19 Ca -0.47 -0.54 -0.57 0.00 -0.55 0.00 0.00 66.41 64.28 1aoc h THR 19 Cb 1.19 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.52 1aoc h THR 19 CO 0.68 0.00 -0.52 -1.10 -0.25 0.00 0.00 175.52 174.33 1aoc s GLN 20 N -1.35 2.19 -0.32 4.72 1.11 -1.26 -5.12 119.66 119.64 1aoc s GLN 20 Ca -0.00 -1.85 -0.04 0.00 0.01 0.00 0.00 55.36 53.48 1aoc s GLN 20 Cb 0.00 -1.95 0.04 0.00 -1.01 0.00 0.00 33.01 30.09 1aoc s GLN 20 CO 0.01 -0.08 0.04 -1.50 0.01 0.00 0.00 175.29 173.77 1aoc s ILE 21 N -2.59 3.36 0.33 1.08 1.10 -1.26 -5.09 121.20 118.13 1aoc s ILE 21 Ca 0.40 -1.24 -0.29 0.00 -0.51 0.00 0.00 60.65 59.01 1aoc s ILE 21 Cb 0.04 -2.90 -0.11 0.00 0.15 0.00 0.00 42.46 39.64 1aoc s ILE 21 CO 0.22 -0.12 1.45 0.54 -2.11 0.00 0.00 174.94 174.91 1aoc s VAL 22 N 1.33 2.33 0.30 4.00 0.11 -1.26 -4.94 120.40 122.27 1aoc s VAL 22 Ca -0.03 0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 59.03 1aoc s VAL 22 Cb -0.19 -3.20 -0.12 0.00 -1.53 0.00 0.00 36.38 31.34 1aoc s VAL 22 CO 0.01 0.07 1.55 0.35 -3.33 0.00 0.00 175.10 173.74 1aoc n THR 23 N 1.10 1.22 0.25 5.04 -2.24 -1.26 -4.87 114.28 113.52 1aoc n THR 23 Ca 0.03 -0.30 0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1aoc n THR 23 Cb 0.40 -1.90 0.61 0.00 -2.10 0.00 0.00 70.33 67.34 1aoc n THR 23 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1aoc h THR 24 N 3.22 0.99 -0.90 4.28 1.35 -1.99 0.22 112.91 120.08 1aoc h THR 24 Ca -0.47 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 1aoc h THR 24 Cb 1.23 1.14 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 1aoc h THR 24 CO 0.76 0.07 0.52 1.05 -0.25 0.00 0.00 175.52 177.67 1aoc h GLU 25 N 0.00 1.24 -0.07 4.72 4.11 -1.99 0.09 114.58 122.68 1aoc h GLU 25 Ca -0.00 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1aoc h GLU 25 Cb 0.14 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1aoc h GLU 25 CO 0.01 0.88 0.02 0.82 0.07 0.00 0.00 179.01 180.81 1aoc h ILE 26 N 1.25 1.18 -0.88 -1.06 2.04 -1.32 -0.46 117.51 118.26 1aoc h ILE 26 Ca 0.32 -0.55 0.14 0.00 1.00 0.00 0.00 64.86 65.77 1aoc h ILE 26 Cb -0.01 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1aoc h ILE 26 CO -0.06 0.16 0.57 0.11 0.00 0.00 0.00 178.15 178.93 1aoc h LYS 27 N -0.09 0.66 -0.27 2.37 1.57 -1.11 -0.34 116.57 119.36 1aoc h LYS 27 Ca 0.02 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1aoc h LYS 27 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1aoc h LYS 27 CO -0.00 0.44 0.05 -0.44 -0.57 0.00 0.00 179.45 178.92 1aoc h ASP 28 N 0.68 0.42 -0.74 0.86 3.32 -0.53 -0.02 116.42 120.42 1aoc h ASP 28 Ca 0.44 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1aoc h ASP 28 Cb 0.71 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 1aoc h ASP 28 CO -0.20 0.57 0.49 0.11 -1.72 0.00 0.00 179.24 178.50 1aoc h LYS 29 N 0.26 0.98 0.01 3.56 1.57 0.41 -2.11 116.57 121.24 1aoc h LYS 29 Ca 0.08 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1aoc h LYS 29 Cb 0.33 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1aoc h LYS 29 CO 0.00 0.65 -0.00 0.82 -0.57 0.00 0.00 179.45 180.35 1aoc h ILE 30 N 1.01 1.26 -0.62 1.86 2.04 -0.98 -1.30 117.51 120.77 1aoc h ILE 30 Ca 0.27 -0.80 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1aoc h ILE 30 Cb -0.12 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 1aoc h ILE 30 CO -0.06 0.21 0.14 -0.33 0.00 0.00 0.00 178.15 178.10 1aoc h GLU 31 N -0.35 0.26 0.12 2.37 4.39 -0.93 0.01 114.58 120.45 1aoc h GLU 31 Ca -0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1aoc h GLU 31 Cb 0.35 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1aoc h GLU 31 CO 0.00 0.17 -0.06 -0.22 -1.16 0.00 0.00 179.01 177.74 1aoc h LYS 32 N 0.27 -0.16 -0.88 2.33 1.63 -1.26 0.13 116.57 118.62 1aoc h LYS 32 Ca 0.33 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.20 1aoc h LYS 32 Cb 0.49 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 1aoc h LYS 32 CO -0.41 -0.10 0.56 0.00 -3.45 0.00 0.00 179.45 176.04 1aoc h ALA 33 N 0.71 1.21 -0.22 5.00 0.00 -0.66 0.10 119.26 125.39 1aoc h ALA 33 Ca -0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1aoc h ALA 33 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1aoc h ALA 33 CO 0.03 0.33 -0.37 0.28 0.00 0.00 0.00 179.25 179.52 1aoc h VAL 34 N 1.03 1.29 -0.52 0.00 2.07 -0.61 -0.82 116.25 118.69 1aoc h VAL 34 Ca 0.38 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 66.35 1aoc h VAL 34 Cb 0.14 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1aoc h VAL 34 CO -0.16 0.47 0.11 -0.33 0.02 0.00 0.00 177.57 177.67 1aoc h GLU 35 N 0.42 0.85 -0.86 1.57 5.08 0.53 -0.91 114.58 121.26 1aoc h GLU 35 Ca 0.04 -0.21 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1aoc h GLU 35 Cb 0.83 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 1aoc h GLU 35 CO 0.07 0.82 0.51 0.00 -1.00 0.00 0.00 179.01 179.41 1aoc h ALA 36 N 0.99 1.22 -0.25 3.43 0.00 -0.25 0.05 119.26 124.45 1aoc h ALA 36 Ca 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1aoc h ALA 36 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1aoc h ALA 36 CO 0.01 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.77 1aoc h VAL 37 N 0.88 1.22 -0.60 0.00 2.07 -0.55 -1.23 116.25 118.04 1aoc h VAL 37 Ca 0.40 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1aoc h VAL 37 Cb 0.31 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1aoc h VAL 37 CO -0.22 0.23 0.37 0.00 0.02 0.00 0.00 177.57 177.97 1aoc h ALA 38 N 0.88 1.52 -0.05 1.67 0.00 -0.22 -2.82 119.26 120.25 1aoc h ALA 38 Ca 0.08 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1aoc h ALA 38 Cb 0.29 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.85 1aoc h ALA 38 CO 0.00 0.42 -0.83 -0.56 0.00 0.00 0.00 179.25 178.28 1aoc h GLN 39 N 0.82 0.65 0.00 0.00 3.07 -0.79 -0.51 115.11 118.35 1aoc h GLN 39 Ca 0.22 -0.64 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1aoc h GLN 39 Cb -0.05 0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.68 1aoc h GLN 39 CO -0.04 1.24 0.01 0.39 0.09 0.00 0.00 178.83 180.52 1aoc n GLU 40 N -3.99 0.00 0.00 0.06 1.02 -0.48 -2.94 120.64 114.31 1aoc n GLU 40 Ca -0.10 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1aoc n GLU 40 Cb 0.78 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1aoc n GLU 40 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1aoc n SER 41 N -1.33 0.00 0.00 1.62 2.88 -1.05 -4.97 113.62 110.77 1aoc n SER 41 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1aoc n SER 41 Cb 0.01 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 2.16 1.30 3.76 0.46 0.00 -0.23 -4.90 105.19 107.73 1aoc n GLY 42 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1aoc n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoc s VAL 43 N 0.00 2.14 -0.60 1.61 1.01 -1.26 -3.12 120.40 120.18 1aoc s VAL 43 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 1aoc s VAL 43 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1aoc s VAL 43 CO 0.00 0.01 0.35 -1.20 0.00 0.00 0.00 175.10 174.26 1aoc n SER 44 N -0.67 -3.59 -3.49 3.32 7.64 -1.26 -4.60 113.62 110.97 1aoc n SER 44 Ca 0.08 -0.16 -0.38 0.00 1.01 0.00 0.00 58.87 59.42 1aoc n SER 44 Cb 0.44 -2.34 -0.02 0.00 -1.01 0.00 0.00 64.21 61.27 1aoc n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1aoc n GLY 45 N -1.09 3.76 0.00 0.23 0.00 -1.18 -3.74 105.19 103.16 1aoc n GLY 45 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.63 1aoc n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aoc n ARG 46 N 5.26 1.13 0.00 1.61 5.12 -1.26 -5.06 116.66 123.46 1aoc n ARG 46 Ca 0.57 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.49 1aoc n ARG 46 Cb 0.30 -0.92 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 1aoc n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1aoc n GLY 47 N 2.12 1.19 0.52 -0.13 0.00 -1.25 -4.98 105.19 102.66 1aoc n GLY 47 Ca 0.00 -0.06 0.34 0.00 0.00 0.00 0.00 46.02 46.29 1aoc n GLY 47 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1aoc h PHE 48 N 0.00 0.00 -1.46 1.61 3.57 -1.92 -1.66 116.94 117.09 1aoc h PHE 48 Ca 0.00 0.00 0.42 0.00 3.53 0.00 0.00 57.97 61.92 1aoc h PHE 48 Cb 0.00 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1aoc h PHE 48 CO 0.00 0.00 1.10 0.77 -2.23 0.00 0.00 178.31 177.95 1aoc h SER 49 N 0.00 0.00 0.61 0.41 0.02 -1.94 0.69 113.55 113.34 1aoc h SER 49 Ca 0.53 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.47 1aoc h SER 49 Cb 2.23 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.77 1aoc h SER 49 CO -0.01 0.00 -0.04 0.16 -1.14 0.00 0.00 176.83 175.80 1aoc h ILE 50 N 0.00 0.16 0.00 3.27 3.07 -1.38 -2.43 117.51 120.20 1aoc h ILE 50 Ca 0.69 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 66.67 1aoc h ILE 50 Cb 2.89 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 40.80 1aoc h ILE 50 CO -0.01 0.04 -1.78 0.49 -1.05 0.00 0.00 178.15 175.85 1aoc n PHE 51 N -3.22 0.06 0.27 0.16 3.72 0.24 -4.40 117.46 114.28 1aoc n PHE 51 Ca -0.01 0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 1aoc n PHE 51 Cb 0.24 -0.45 0.13 0.00 -0.94 0.00 0.00 39.48 38.46 1aoc n PHE 51 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1aoc n SER 52 N -2.16 0.00 -0.01 4.37 3.41 -0.91 -1.96 113.62 116.36 1aoc n SER 52 Ca -0.02 -0.09 -0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1aoc n SER 52 Cb 0.53 -0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1aoc n SER 52 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1aoc n HIS 53 N -1.04 0.56 -2.81 7.33 8.25 -1.26 -4.74 115.22 121.51 1aoc n HIS 53 Ca 0.03 0.19 -0.41 0.00 -0.26 0.00 0.00 57.72 57.26 1aoc n HIS 53 Cb 0.02 -0.96 -0.03 0.00 1.12 0.00 0.00 29.99 30.14 1aoc n HIS 53 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1aoc s HIS 54 N -2.93 3.61 0.21 4.41 5.04 -0.83 -4.96 115.29 119.84 1aoc s HIS 54 Ca -0.06 1.54 -0.17 0.00 -1.54 0.00 0.00 55.06 54.83 1aoc s HIS 54 Cb 0.09 -3.03 0.21 0.00 0.04 0.00 0.00 32.58 29.89 1aoc s HIS 54 CO 0.83 -0.02 1.58 -1.35 -2.34 0.00 0.00 174.74 173.44 1aoc h PRO 55 N 6.85 -0.07 -0.25 2.88 0.11 -1.89 -0.88 132.00 138.74 1aoc h PRO 55 Ca -0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 1aoc h PRO 55 Cb 1.20 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1aoc h PRO 55 CO 0.77 -0.05 0.06 0.28 -0.21 0.00 0.00 178.00 178.85 1aoc h VAL 56 N -0.07 1.22 -0.57 3.15 2.07 -1.93 -1.16 116.25 118.95 1aoc h VAL 56 Ca 0.31 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1aoc h VAL 56 Cb 0.58 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1aoc h VAL 56 CO -0.82 0.23 0.25 -0.26 0.02 0.00 0.00 177.57 176.99 1aoc h PHE 57 N 0.24 0.80 -0.47 1.57 -1.00 -1.72 -0.54 116.94 115.82 1aoc h PHE 57 Ca 0.08 -0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.75 1aoc h PHE 57 Cb 0.29 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 1aoc h PHE 57 CO 0.01 0.61 -0.01 0.00 -1.61 0.00 0.00 178.31 177.31 1aoc h ARG 58 N 0.80 0.78 -0.03 1.51 3.08 -1.00 0.10 114.38 119.62 1aoc h ARG 58 Ca 0.20 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1aoc h ARG 58 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1aoc h ARG 58 CO -0.02 0.79 -0.17 1.49 -1.07 0.00 0.00 179.97 180.99 1aoc h GLU 59 N 0.72 0.17 0.00 0.04 4.81 0.13 -3.42 114.58 117.03 1aoc h GLU 59 Ca 0.14 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1aoc h GLU 59 Cb 0.45 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1aoc h GLU 59 CO 0.02 0.80 -0.52 0.00 -0.73 0.00 0.00 179.01 178.58 1aoc n GLY 61 N 0.05 2.89 0.97 0.00 0.00 0.36 -3.67 105.19 105.79 1aoc n GLY 61 Ca 0.00 -0.90 0.07 0.00 0.00 0.00 0.00 46.02 45.19 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 0.86 2.33 -1.93 1.61 5.02 -1.26 -4.56 118.16 120.23 1aoc n LYS 62 Ca 0.27 -1.79 -0.41 0.00 -2.02 0.00 0.00 58.31 54.36 1aoc n LYS 62 Cb 1.08 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.62 1aoc n LYS 62 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1aoc n TYR 63 N 0.85 2.84 -1.91 2.13 4.01 -1.26 -4.93 117.16 118.88 1aoc n TYR 63 Ca 0.16 -2.89 -0.42 0.00 -0.16 0.00 0.00 57.90 54.59 1aoc n TYR 63 Cb 0.48 -2.12 -0.03 0.00 -0.31 0.00 0.00 39.34 37.35 1aoc n TYR 63 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1aoc s GLU 64 N 0.75 4.15 0.45 -0.72 2.02 -1.26 -1.35 118.70 122.74 1aoc s GLU 64 Ca 0.51 2.30 0.20 0.00 0.02 0.00 0.00 54.97 57.99 1aoc s GLU 64 Cb 0.15 -4.04 1.16 0.00 0.10 0.00 0.00 34.13 31.49 1aoc s GLU 64 CO -0.05 -0.90 1.90 0.00 0.02 0.00 0.00 175.26 176.22 1aoc h ARG 66 N 0.31 0.00 0.00 0.00 -0.00 -1.90 -3.33 114.38 109.46 1aoc h ARG 66 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.89 1aoc h ARG 66 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.10 1aoc h ARG 66 CO -0.12 0.20 -1.26 0.25 0.00 0.00 0.00 179.97 179.04 1aoc n THR 67 N -3.75 0.00 -2.37 2.04 -2.24 -0.03 -5.00 114.28 102.92 1aoc n THR 67 Ca -0.02 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1aoc n THR 67 Cb 0.31 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.45 4.12 0.21 2.28 1.01 -0.47 -5.02 120.40 120.08 1aoc s VAL 68 Ca -0.02 1.31 0.01 0.00 0.00 0.00 0.00 61.98 63.28 1aoc s VAL 68 Cb 0.05 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1aoc s VAL 68 CO 0.30 -0.32 0.37 -0.13 0.00 0.00 0.00 175.10 175.33 1aoc s ARG 69 N 3.98 3.48 0.35 2.72 0.52 -1.26 -4.98 118.95 123.76 1aoc s ARG 69 Ca 0.58 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 1aoc s ARG 69 Cb -0.20 -2.87 0.76 0.00 0.52 0.00 0.00 34.95 33.16 1aoc s ARG 69 CO 0.21 0.42 1.91 -1.00 0.02 0.00 0.00 175.30 176.86 1aoc h PRO 70 N 1.79 0.73 0.00 3.54 0.13 -1.96 -2.60 132.00 133.63 1aoc h PRO 70 Ca -0.49 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1aoc h PRO 70 Cb 1.20 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1aoc h PRO 70 CO 0.66 0.48 -0.10 1.05 -0.23 0.00 0.00 178.00 179.87 1aoc h GLU 71 N 0.75 0.00 0.00 0.86 9.09 -1.97 -2.72 114.58 120.59 1aoc h GLU 71 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 1aoc h GLU 71 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1aoc h GLU 71 CO -0.15 0.10 0.00 0.45 0.05 0.00 0.00 179.01 179.46 1aoc h HIS 72 N 0.00 0.00 -0.11 2.06 3.86 -1.88 -1.99 115.15 117.10 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 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 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 -2.64 2.67 -4.82 2.45 3.41 -1.02 -4.82 113.62 108.85 1aoc n SER 73 Ca -0.00 -2.62 -0.33 0.00 -0.26 0.00 0.00 58.87 55.66 1aoc n SER 73 Cb 0.16 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 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 -2.08 3.70 0.50 4.33 1.81 -0.75 -4.31 118.95 122.15 1aoc s ARG 74 Ca 0.24 1.09 0.19 0.00 -1.72 0.00 0.00 55.73 55.53 1aoc s ARG 74 Cb 0.19 -2.09 1.25 0.00 -0.45 0.00 0.00 34.95 33.85 1aoc s ARG 74 CO 0.05 -0.49 2.05 0.00 -0.68 0.00 0.00 175.30 176.24 1aoc n TYR 76 N -4.46 0.44 -0.27 0.00 0.18 -1.26 -1.31 117.16 110.48 1aoc n TYR 76 Ca 0.05 0.19 0.11 0.00 1.88 0.00 0.00 57.90 60.13 1aoc n TYR 76 Cb 0.34 -0.80 0.30 0.00 -0.38 0.00 0.00 39.34 38.80 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 -1.91 3.81 -4.33 9.48 5.03 -0.41 -4.37 115.26 122.55 1aoc n ASN 77 Ca 0.02 -2.00 -0.26 0.00 0.87 0.00 0.00 54.58 53.21 1aoc n ASN 77 Cb 0.16 -0.44 -0.13 0.00 -1.02 0.00 0.00 39.78 38.35 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 -1.06 2.04 0.70 3.10 0.08 -0.43 -4.95 117.98 117.46 1aoc s PHE 78 Ca 0.46 -0.40 -0.16 0.00 0.12 0.00 0.00 56.93 56.94 1aoc s PHE 78 Cb 0.24 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.58 1aoc s PHE 78 CO 0.32 0.26 1.10 -0.35 -0.10 0.00 0.00 175.22 176.45 1aoc n PRO 79 N 1.06 0.70 0.00 0.24 -0.04 -1.26 -0.41 135.00 135.28 1aoc n PRO 79 Ca -0.19 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1aoc n PRO 79 Cb 0.53 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 -1.97 0.82 -3.12 0.54 -0.04 -1.26 -4.93 135.00 125.04 1aoc n PRO 80 Ca 0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.43 1aoc n PRO 80 Cb 0.49 -1.06 0.05 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.42 -1.87 -4.20 0.54 3.72 0.45 -5.03 117.46 110.65 1aoc n PHE 81 Ca 0.00 0.61 -0.26 0.00 -0.05 0.00 0.00 57.45 57.75 1aoc n PHE 81 Cb 0.03 -3.83 -0.08 0.00 -0.94 0.00 0.00 39.48 34.66 1aoc n PHE 81 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1aoc s THR 82 N -3.15 3.74 0.10 4.37 -4.23 -1.26 -4.92 115.64 110.28 1aoc s THR 82 Ca 0.35 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 1aoc s THR 82 Cb -0.16 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 1aoc s THR 82 CO 0.44 -0.12 0.33 -1.00 -0.54 0.00 0.00 174.62 173.72 1aoc s HIS 83 N -1.75 3.51 0.30 3.99 3.76 -1.26 -4.11 115.29 119.72 1aoc s HIS 83 Ca 0.28 0.52 -0.27 0.00 -0.15 0.00 0.00 55.06 55.43 1aoc s HIS 83 Cb -0.09 -1.97 -0.09 0.00 1.11 0.00 0.00 32.58 31.53 1aoc s HIS 83 CO 0.19 0.50 0.97 -0.06 -0.85 0.00 0.00 174.74 175.49 1aoc s PHE 84 N -1.54 3.73 -0.00 1.40 0.08 -1.26 -4.96 117.98 115.43 1aoc s PHE 84 Ca 0.37 1.80 -0.25 0.00 0.12 0.00 0.00 56.93 58.97 1aoc s PHE 84 Cb -0.13 -3.00 -0.18 0.00 -0.57 0.00 0.00 43.02 39.14 1aoc s PHE 84 CO 0.23 0.12 1.27 -0.22 -0.10 0.00 0.00 175.22 176.52 1aoc h LYS 85 N 3.48 -0.12 -3.85 0.44 1.63 -1.98 -3.43 116.57 112.73 1aoc h LYS 85 Ca -0.46 0.01 -0.39 0.00 -0.85 0.00 0.00 60.65 58.96 1aoc h LYS 85 Cb 1.20 0.03 -0.35 0.00 -0.60 0.00 0.00 32.23 32.51 1aoc h LYS 85 CO 0.66 0.27 -0.76 0.45 -3.45 0.00 0.00 179.45 176.61 1aoc s SER 86 N -5.46 0.84 -0.03 4.20 0.15 -1.26 -5.11 113.70 107.03 1aoc s SER 86 Ca -0.15 -0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.48 1aoc s SER 86 Cb 0.02 -0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 63.96 1aoc s SER 86 CO 0.62 -0.09 -0.21 -0.70 1.20 0.00 0.00 173.24 174.06 1aoc s GLU 87 N 1.11 1.88 0.88 5.44 2.12 -1.26 -0.86 118.70 128.01 1aoc s GLU 87 Ca -0.08 -0.76 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 1aoc s GLU 87 Cb -0.14 -1.73 0.12 0.00 0.26 0.00 0.00 34.13 32.64 1aoc s GLU 87 CO -0.01 0.40 1.12 0.00 -0.54 0.00 0.00 175.26 176.23 1aoc s PRO 89 N -5.22 4.00 -0.05 0.00 0.02 -1.26 -4.77 135.00 127.71 1aoc s PRO 89 Ca 0.63 2.53 0.04 0.00 0.02 0.00 0.00 61.00 64.22 1aoc s PRO 89 Cb -0.15 -2.89 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 1aoc s PRO 89 CO 0.54 -0.61 -0.17 0.08 -0.33 0.00 0.00 177.00 176.51 1aoc s VAL 90 N -1.14 2.81 -0.28 3.83 1.01 -1.26 -1.25 120.40 124.12 1aoc s VAL 90 Ca 0.55 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1aoc s VAL 90 Cb -0.46 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1aoc s VAL 90 CO 0.61 0.58 0.21 -0.55 0.00 0.00 0.00 175.10 175.95 1aoc s SER 91 N -0.56 6.05 -0.14 3.32 0.15 0.12 -4.77 113.70 117.87 1aoc s SER 91 Ca 0.08 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.73 1aoc s SER 91 Cb -0.11 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 1aoc s SER 91 CO 0.01 -0.06 -0.08 -0.89 1.20 0.00 0.00 173.24 173.42 1aoc s THR 92 N 1.77 3.48 -0.06 6.45 2.01 -1.26 -0.98 115.64 127.06 1aoc s THR 92 Ca 0.08 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1aoc s THR 92 Cb -0.16 -2.49 0.02 0.00 0.01 0.00 0.00 72.50 69.88 1aoc s THR 92 CO 0.11 0.51 0.18 -0.13 -0.69 0.00 0.00 174.62 174.60 1aoc s ARG 93 N 0.30 0.24 0.44 4.92 0.52 -0.53 -4.98 118.95 119.87 1aoc s ARG 93 Ca -0.07 0.19 -0.22 0.00 -0.52 0.00 0.00 55.73 55.11 1aoc s ARG 93 Cb -0.15 0.12 -0.09 0.00 0.52 0.00 0.00 34.95 35.35 1aoc s ARG 93 CO 0.04 -0.04 1.03 0.34 0.02 0.00 0.00 175.30 176.70 1aoc s ASP 94 N -0.05 6.59 -0.04 0.23 -1.08 -1.26 -0.48 116.67 120.57 1aoc s ASP 94 Ca -0.01 1.94 0.01 0.00 -0.52 0.00 0.00 52.55 53.97 1aoc s ASP 94 Cb -0.02 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1aoc s ASP 94 CO 0.00 -0.61 -0.03 0.00 0.52 0.00 0.00 175.17 175.05 1aoc n GLU 96 N 4.09 0.55 -2.41 0.00 2.13 -1.26 -1.37 120.64 122.38 1aoc n GLU 96 Ca -0.25 -3.23 -0.37 0.00 0.66 0.00 0.00 57.16 53.97 1aoc n GLU 96 Cb 0.51 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.79 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 -0.75 4.01 -0.01 5.31 0.04 -1.26 -4.97 135.00 137.37 1aoc s PRO 97 Ca 0.34 1.66 0.20 0.00 0.04 0.00 0.00 61.00 63.24 1aoc s PRO 97 Cb 0.12 -2.52 -0.26 0.00 0.04 0.00 0.00 34.50 31.88 1aoc s PRO 97 CO -0.14 -0.30 0.66 1.33 0.04 0.00 0.00 177.00 178.59 1aoc n VAL 98 N -0.17 0.00 -3.93 -0.36 0.24 -1.26 -4.66 118.33 108.17 1aoc n VAL 98 Ca 0.06 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 62.04 1aoc n VAL 98 Cb 0.48 0.56 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 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 -3.12 0.24 0.03 6.34 -0.12 -1.26 -1.09 117.98 119.00 1aoc s PHE 99 Ca 0.01 -0.63 -0.27 0.00 -0.05 0.00 0.00 56.93 55.98 1aoc s PHE 99 Cb 0.14 -0.16 0.09 0.00 -0.63 0.00 0.00 43.02 42.47 1aoc s PHE 99 CO 0.83 -0.43 0.82 0.20 -0.05 0.00 0.00 175.22 176.59 1aoc s GLY 100 N -2.52 -0.50 -0.20 1.99 0.00 -0.42 -4.76 107.32 100.91 1aoc s GLY 100 Ca 0.01 0.91 -0.05 0.00 0.00 0.00 0.00 44.72 45.59 1aoc s GLY 100 CO -0.08 0.32 0.01 -0.19 0.00 0.00 0.00 173.10 173.16 1aoc s TYR 101 N -3.21 3.06 1.17 1.90 2.02 -1.26 -0.43 117.35 120.61 1aoc s TYR 101 Ca 0.04 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.18 1aoc s TYR 101 Cb -0.01 -2.08 0.27 0.00 -0.40 0.00 0.00 41.96 39.74 1aoc s TYR 101 CO -0.10 -0.19 1.07 0.95 -1.57 0.00 0.00 175.55 175.71 1aoc s THR 102 N 0.93 1.72 0.30 -0.71 -4.23 -0.02 -4.52 115.64 109.11 1aoc s THR 102 Ca 0.01 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1aoc s THR 102 Cb -0.14 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.62 1aoc s THR 102 CO 0.02 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.47 1aoc h VAL 103 N -2.52 0.75 0.00 2.29 2.07 -1.53 0.12 116.25 117.42 1aoc h VAL 103 Ca -0.50 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1aoc h VAL 103 Cb 1.32 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1aoc h VAL 103 CO 0.43 0.15 0.00 0.00 0.02 0.00 0.00 177.57 178.17 1aoc n ALA 104 N -2.34 2.56 -0.48 1.67 0.00 -1.26 -4.90 120.51 115.77 1aoc n ALA 104 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1aoc n ALA 104 Cb 0.52 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.83 1.10 3.79 0.00 0.00 0.41 -5.05 105.19 106.26 1aoc n GLY 105 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.36 3.31 -0.01 1.61 2.02 -1.26 -4.64 118.70 119.38 1aoc s GLU 106 Ca 0.00 1.38 -0.22 0.00 0.02 0.00 0.00 54.97 56.16 1aoc s GLU 106 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 34.13 32.16 1aoc s GLU 106 CO 0.00 -0.84 0.63 0.12 0.02 0.00 0.00 175.26 175.19 1aoc s PHE 107 N -2.15 3.67 0.03 1.61 2.19 -1.26 -0.84 117.98 121.23 1aoc s PHE 107 Ca 0.67 1.24 -0.03 0.00 0.33 0.00 0.00 56.93 59.15 1aoc s PHE 107 Cb -0.19 -2.67 -0.02 0.00 -1.31 0.00 0.00 43.02 38.83 1aoc s PHE 107 CO 0.32 0.30 0.02 1.03 1.83 0.00 0.00 175.22 178.72 1aoc s ARG 108 N -0.02 0.49 -0.28 10.12 1.81 0.43 -4.97 118.95 126.53 1aoc s ARG 108 Ca 0.33 -0.80 -0.15 0.00 -1.72 0.00 0.00 55.73 53.39 1aoc s ARG 108 Cb -0.18 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.46 1aoc s ARG 108 CO 0.18 -0.10 0.36 0.08 -0.68 0.00 0.00 175.30 175.13 1aoc s VAL 109 N -2.46 5.18 -0.14 3.52 1.01 -1.26 -1.30 120.40 124.94 1aoc s VAL 109 Ca -0.06 0.48 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 1aoc s VAL 109 Cb -0.02 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1aoc s VAL 109 CO -0.04 0.14 0.37 -0.63 0.00 0.00 0.00 175.10 174.94 1aoc s ILE 110 N 2.04 5.25 -0.01 2.22 1.01 -0.25 -0.90 121.20 130.56 1aoc s ILE 110 Ca 0.14 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 1aoc s ILE 110 Cb -0.16 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 1aoc s ILE 110 CO 0.10 0.36 1.58 -0.69 0.00 0.00 0.00 174.94 176.29 1aoc s VAL 111 N 0.57 3.50 -0.04 2.92 1.01 -0.75 -4.48 120.40 123.13 1aoc s VAL 111 Ca 0.20 0.77 -0.02 0.00 0.00 0.00 0.00 61.98 62.94 1aoc s VAL 111 Cb -0.14 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1aoc s VAL 111 CO 0.07 -0.04 0.05 -1.10 0.00 0.00 0.00 175.10 174.08 1aoc s GLN 112 N 3.29 -0.04 -0.42 2.72 -1.52 -1.26 -4.31 119.66 118.11 1aoc s GLN 112 Ca 0.71 0.35 0.06 0.00 -1.95 0.00 0.00 55.36 54.53 1aoc s GLN 112 Cb -0.34 -0.50 0.22 0.00 -0.22 0.00 0.00 33.01 32.17 1aoc s GLN 112 CO 0.29 -0.31 0.53 0.00 -0.25 0.00 0.00 175.29 175.54 1aoc n ALA 113 N 5.17 1.79 -0.20 6.09 0.00 0.13 -4.78 120.51 128.71 1aoc n ALA 113 Ca -0.06 -2.90 -0.00 0.00 0.00 0.00 0.00 53.44 50.48 1aoc n ALA 113 Cb 0.50 -0.90 0.11 0.00 0.00 0.00 0.00 19.45 19.15 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 4.56 0.38 -0.36 0.00 0.11 -1.94 0.66 132.00 135.41 1aoc h PRO 114 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1aoc h PRO 114 Cb 0.92 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1aoc h PRO 114 CO 0.39 0.25 0.23 -0.09 -0.21 0.00 0.00 178.00 178.57 1aoc h ARG 115 N 0.40 0.48 0.00 1.05 2.43 -1.95 -2.46 114.38 114.33 1aoc h ARG 115 Ca 0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1aoc h ARG 115 Cb 0.38 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1aoc h ARG 115 CO -0.31 0.34 -0.14 0.00 -1.51 0.00 0.00 179.97 178.35 1aoc h ALA 116 N 1.11 1.05 0.00 2.80 0.00 -1.83 -3.47 119.26 118.93 1aoc h ALA 116 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aoc h ALA 116 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1aoc h ALA 116 CO -0.03 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1aoc n GLY 117 N -0.03 1.09 3.18 0.00 0.00 0.04 -4.99 105.19 104.47 1aoc n GLY 117 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.06 -0.02 1.61 5.36 -0.13 -4.94 117.98 120.92 1aoc s PHE 118 Ca 0.00 -1.65 0.01 0.00 -0.96 0.00 0.00 56.93 54.33 1aoc s PHE 118 Cb 0.00 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 1aoc s PHE 118 CO 0.00 -0.75 -0.04 1.03 -1.46 0.00 0.00 175.22 174.00 1aoc s ARG 119 N 1.30 0.52 -0.16 10.12 0.52 -1.26 0.19 118.95 130.18 1aoc s ARG 119 Ca -0.00 -0.10 -0.02 0.00 -0.52 0.00 0.00 55.73 55.08 1aoc s ARG 119 Cb -0.17 -0.55 -0.02 0.00 0.52 0.00 0.00 34.95 34.74 1aoc s ARG 119 CO -0.05 0.00 -0.08 -0.65 0.02 0.00 0.00 175.30 174.54 1aoc s GLN 120 N 0.43 3.49 0.02 3.54 -0.21 -1.26 -2.29 119.66 123.39 1aoc s GLN 120 Ca -0.05 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 54.75 1aoc s GLN 120 Cb -0.08 -2.81 -0.01 0.00 1.00 0.00 0.00 33.01 31.10 1aoc s GLN 120 CO -0.00 0.15 -0.09 0.00 -2.12 0.00 0.00 175.29 173.22 1aoc s VAL 122 N -0.67 -0.46 0.22 0.00 1.01 -0.47 -4.69 120.40 115.34 1aoc s VAL 122 Ca -0.01 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1aoc s VAL 122 Cb -0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.53 1aoc s VAL 122 CO 0.00 -0.11 1.46 0.26 0.00 0.00 0.00 175.10 176.70 1aoc s TRP 123 N 2.44 3.06 -0.13 5.22 0.52 -1.26 -3.11 118.94 125.67 1aoc s TRP 123 Ca 0.08 0.95 -0.09 0.00 0.02 0.00 0.00 56.10 57.06 1aoc s TRP 123 Cb -0.15 -3.82 -0.04 0.00 -1.15 0.00 0.00 33.47 28.31 1aoc s TRP 123 CO -0.13 -2.76 0.16 -0.65 0.02 0.00 0.00 176.95 173.60 1aoc s GLN 124 N 0.07 3.68 -0.27 4.98 -1.52 0.37 -4.79 119.66 122.19 1aoc s GLN 124 Ca 0.62 -0.10 0.01 0.00 -1.95 0.00 0.00 55.36 53.94 1aoc s GLN 124 Cb -0.42 -3.26 0.07 0.00 -0.22 0.00 0.00 33.01 29.19 1aoc s GLN 124 CO 0.39 0.64 -0.01 -1.01 -0.25 0.00 0.00 175.29 175.06 1aoc s HIS 125 N -0.65 2.51 0.29 0.91 3.76 0.74 -1.45 115.29 121.39 1aoc s HIS 125 Ca 0.14 -1.97 0.10 0.00 -0.15 0.00 0.00 55.06 53.18 1aoc s HIS 125 Cb -0.12 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.68 1aoc s HIS 125 CO 0.03 -0.82 -0.06 0.15 -0.85 0.00 0.00 174.74 173.19 1aoc s LYS 126 N 1.35 2.07 0.07 1.40 1.02 -0.15 -2.88 119.74 122.63 1aoc s LYS 126 Ca 0.00 -1.59 -0.31 0.00 0.02 0.00 0.00 55.97 54.10 1aoc s LYS 126 Cb -0.19 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1aoc s LYS 126 CO -0.10 0.31 1.92 0.00 -0.92 0.00 0.00 175.35 176.55 1aoc h ARG 128 N 9.71 0.52 -1.76 0.00 9.65 -1.48 -3.14 114.38 127.88 1aoc h ARG 128 Ca -0.48 -0.03 -0.56 0.00 -1.10 0.00 0.00 59.98 57.80 1aoc h ARG 128 Cb 1.23 -0.12 -0.42 0.00 -1.39 0.00 0.00 29.97 29.28 1aoc h ARG 128 CO 0.94 0.35 -0.78 1.19 2.80 0.00 0.00 179.97 184.47 1aoc n PHE 129 N -4.90 3.21 -0.99 2.20 3.72 -1.26 -4.91 117.46 114.53 1aoc n PHE 129 Ca 0.09 -3.44 0.00 0.00 -0.05 0.00 0.00 57.45 54.06 1aoc n PHE 129 Cb 0.25 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.52 1aoc n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aoc n GLY 130 N -0.31 2.89 2.76 1.37 0.00 -1.19 -3.31 105.19 107.41 1aoc n GLY 130 Ca 0.32 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1aoc n GLY 130 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aoc n SER 131 N 2.19 5.75 -4.91 1.61 7.64 -1.26 -4.73 113.62 119.91 1aoc n SER 131 Ca 0.00 -3.57 -0.28 0.00 1.01 0.00 0.00 58.87 56.03 1aoc n SER 131 Cb 0.00 -0.95 0.07 0.00 -1.01 0.00 0.00 64.21 62.32 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 -2.19 4.79 0.40 6.43 4.22 -1.21 -4.63 114.94 122.75 1aoc s ASN 132 Ca 0.39 0.71 -0.24 0.00 -2.14 0.00 0.00 52.86 51.58 1aoc s ASN 132 Cb 0.17 -1.32 -0.09 0.00 1.28 0.00 0.00 41.25 41.29 1aoc s ASN 132 CO -0.05 -1.68 1.11 -0.94 -2.04 0.00 0.00 177.10 173.50 1aoc s SER 133 N -4.52 6.60 0.00 3.54 1.04 -1.26 -1.31 113.70 117.79 1aoc s SER 133 Ca 0.60 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1aoc s SER 133 Cb -0.11 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.41 1aoc s SER 133 CO 0.48 -0.61 0.00 0.00 0.98 0.00 0.00 173.24 174.09 1aoc n GLY 135 N 0.49 0.14 0.01 0.00 0.00 -1.22 -4.76 105.19 99.84 1aoc n GLY 135 Ca 0.00 -1.71 0.14 0.00 0.00 0.00 0.00 46.02 44.45 1aoc n GLY 135 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1aoc n TYR 136 N 0.00 0.00 -1.62 1.61 4.02 -1.26 -4.09 117.16 115.82 1aoc n TYR 136 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1aoc n TYR 136 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 1aoc n TYR 136 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1aoc n ASN 137 N -1.40 0.00 -4.67 7.72 6.94 -1.26 -5.17 115.26 117.42 1aoc n ASN 137 Ca 0.09 -0.73 -0.24 0.00 -0.02 0.00 0.00 54.58 53.69 1aoc n ASN 137 Cb 0.31 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 37.84 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 0.00 1.76 -0.03 4.83 0.00 -1.26 -4.47 107.32 108.15 1aoc s GLY 138 Ca 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 1aoc s GLY 138 CO 0.00 -1.18 0.07 -1.60 0.00 0.00 0.00 173.10 170.38 1aoc s ARG 139 N -5.15 0.04 -0.10 2.90 3.52 0.47 -1.45 118.95 119.18 1aoc s ARG 139 Ca 0.67 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 56.13 1aoc s ARG 139 Cb -0.05 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.23 1aoc s ARG 139 CO 0.44 -0.07 1.40 0.00 -0.81 0.00 0.00 175.30 176.26 1aoc s THR 141 N 3.49 1.09 -0.11 0.00 2.01 -0.54 -4.20 115.64 117.39 1aoc s THR 141 Ca 0.62 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.75 1aoc s THR 141 Cb -0.27 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1aoc s THR 141 CO 0.21 0.31 1.25 -1.58 -0.69 0.00 0.00 174.62 174.12 1aoc s GLN 142 N -0.20 4.28 0.06 4.92 2.00 -1.26 -2.41 119.66 127.04 1aoc s GLN 142 Ca 0.03 1.69 0.02 0.00 -2.00 0.00 0.00 55.36 55.10 1aoc s GLN 142 Cb -0.07 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 1aoc s GLN 142 CO -0.00 -0.59 0.09 -1.14 -0.50 0.00 0.00 175.29 173.15 1aoc s GLN 143 N 2.91 2.97 0.27 1.67 0.74 -0.12 -4.98 119.66 123.13 1aoc s GLN 143 Ca 0.56 -0.62 0.03 0.00 0.05 0.00 0.00 55.36 55.37 1aoc s GLN 143 Cb -0.24 -2.78 -0.06 0.00 1.10 0.00 0.00 33.01 31.04 1aoc s GLN 143 CO 0.18 0.59 0.06 1.03 -0.55 0.00 0.00 175.29 176.60 1aoc s ARG 144 N -2.25 1.47 0.00 1.67 0.52 -1.26 -2.36 118.95 116.74 1aoc s ARG 144 Ca 0.28 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.70 1aoc s ARG 144 Cb -0.12 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.82 1aoc s ARG 144 CO 0.21 -0.22 0.00 0.45 0.02 0.00 0.00 175.30 175.76 1aoc n SER 145 N -0.52 0.00 -3.95 0.23 2.88 -0.10 -4.86 113.62 107.30 1aoc n SER 145 Ca -0.02 -0.71 -0.20 0.00 -1.33 0.00 0.00 58.87 56.61 1aoc n SER 145 Cb 0.66 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.96 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 -1.85 0.65 0.18 2.46 1.01 -1.26 -1.63 120.40 119.96 1aoc s VAL 146 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 61.98 61.84 1aoc s VAL 146 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1aoc s VAL 146 CO 0.00 0.23 -0.23 0.68 0.00 0.00 0.00 175.10 175.77 1aoc s VAL 147 N 0.48 2.25 -0.15 2.92 -7.23 -0.01 -4.94 120.40 113.73 1aoc s VAL 147 Ca -0.07 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 1aoc s VAL 147 Cb -0.11 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1aoc s VAL 147 CO 0.00 -0.14 -0.04 -0.13 -0.31 0.00 0.00 175.10 174.49 1aoc s ARG 148 N -2.64 3.57 0.08 4.82 0.52 -1.26 -0.87 118.95 123.17 1aoc s ARG 148 Ca 0.19 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 1aoc s ARG 148 Cb -0.08 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 1aoc s ARG 148 CO 0.09 0.30 -0.12 -0.51 0.02 0.00 0.00 175.30 175.08 1aoc s LEU 149 N 0.21 2.33 -0.01 2.53 1.43 -0.63 -4.83 118.68 119.70 1aoc s LEU 149 Ca -0.02 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 1aoc s LEU 149 Cb -0.14 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1aoc s LEU 149 CO 0.03 -0.17 1.30 -0.69 0.23 0.00 0.00 176.35 177.05 1aoc s VAL 150 N -1.80 3.96 0.36 -1.59 1.01 -1.24 -2.08 120.40 119.02 1aoc s VAL 150 Ca 0.01 1.33 0.08 0.00 0.00 0.00 0.00 61.98 63.40 1aoc s VAL 150 Cb -0.07 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1aoc s VAL 150 CO 0.01 0.01 0.09 0.42 0.00 0.00 0.00 175.10 175.63 1aoc s THR 151 N 2.14 2.60 -0.14 3.92 -4.23 0.12 -1.81 115.64 118.25 1aoc s THR 151 Ca 0.60 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 1aoc s THR 151 Cb -0.29 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.66 1aoc s THR 151 CO 0.25 -0.13 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.52 1aoc s TYR 152 N -2.53 2.69 -0.41 3.99 5.04 -0.08 -1.66 117.35 124.40 1aoc s TYR 152 Ca 0.37 -1.26 -0.22 0.00 -2.44 0.00 0.00 57.07 53.52 1aoc s TYR 152 Cb 0.01 -1.83 0.02 0.00 0.35 0.00 0.00 41.96 40.51 1aoc s TYR 152 CO 0.21 -0.57 0.72 1.21 -1.34 0.00 0.00 175.55 175.78 1aoc s ASN 153 N 0.79 6.42 0.14 4.32 3.84 0.94 -4.47 114.94 126.92 1aoc s ASN 153 Ca -0.07 -0.01 -0.15 0.00 0.21 0.00 0.00 52.86 52.84 1aoc s ASN 153 Cb -0.16 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 1aoc s ASN 153 CO -0.01 -0.78 1.68 -0.07 -2.79 0.00 0.00 177.10 175.14 1aoc h LEU 154 N 9.79 0.58 0.34 3.21 3.38 -1.96 -0.75 115.31 129.90 1aoc h LEU 154 Ca -0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1aoc h LEU 154 Cb 1.09 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1aoc h LEU 154 CO 0.91 0.59 -0.17 -0.08 0.09 0.00 0.00 178.44 179.78 1aoc h GLU 155 N 0.53 -0.45 -0.46 1.13 4.57 -1.97 -3.17 114.58 114.77 1aoc h GLU 155 Ca 0.14 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1aoc h GLU 155 Cb 0.19 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1aoc h GLU 155 CO -0.01 -0.30 0.00 1.17 -1.18 0.00 0.00 179.01 178.69 1aoc n LYS 156 N -3.25 1.12 -3.74 1.92 4.81 -1.24 -4.89 118.16 112.89 1aoc n LYS 156 Ca -0.06 -0.13 -0.26 0.00 -0.87 0.00 0.00 58.31 56.99 1aoc n LYS 156 Cb 0.18 -1.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.94 1aoc n LYS 156 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aoc n ASP 157 N -0.21 -1.75 -4.27 3.14 9.92 -0.32 -4.90 116.55 118.16 1aoc n ASP 157 Ca 0.01 -0.57 -0.17 0.00 -0.53 0.00 0.00 54.79 53.53 1aoc n ASP 157 Cb 0.15 -1.56 -0.11 0.00 -0.64 0.00 0.00 41.12 38.96 1aoc n ASP 157 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1aoc s GLY 158 N -2.78 1.16 0.40 0.44 0.00 -1.01 -4.94 107.32 100.60 1aoc s GLY 158 Ca 0.51 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.75 1aoc s GLY 158 CO 0.63 -1.51 0.69 -1.36 0.00 0.00 0.00 173.10 171.54 1aoc s PHE 159 N -2.65 3.52 -0.13 1.90 0.08 -1.26 -0.04 117.98 119.40 1aoc s PHE 159 Ca 0.14 0.73 -0.29 0.00 0.12 0.00 0.00 56.93 57.63 1aoc s PHE 159 Cb -0.02 -2.20 0.08 0.00 -0.57 0.00 0.00 43.02 40.31 1aoc s PHE 159 CO 0.03 -0.07 0.77 -1.17 -0.10 0.00 0.00 175.22 174.69 1aoc s LEU 160 N -4.23 -0.60 0.07 -0.37 2.96 -0.66 -4.92 118.68 110.92 1aoc s LEU 160 Ca 0.46 0.80 -0.20 0.00 -0.22 0.00 0.00 54.13 54.97 1aoc s LEU 160 Cb -0.10 2.35 -0.07 0.00 0.50 0.00 0.00 46.19 48.87 1aoc s LEU 160 CO 0.37 -0.46 0.59 0.00 -1.32 0.00 0.00 176.35 175.53 1aoc s GLU 162 N -1.01 0.66 -0.15 0.00 0.41 -0.88 -4.93 118.70 112.80 1aoc s GLU 162 Ca 0.30 -1.15 -0.11 0.00 -0.41 0.00 0.00 54.97 53.59 1aoc s GLU 162 Cb -0.20 0.24 -0.05 0.00 -1.78 0.00 0.00 34.13 32.35 1aoc s GLU 162 CO 0.19 -0.15 0.22 -1.12 -0.49 0.00 0.00 175.26 173.92 1aoc s SER 163 N -2.89 6.39 0.05 -0.19 0.01 -1.26 -1.61 113.70 114.19 1aoc s SER 163 Ca 0.06 0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.81 1aoc s SER 163 Cb 0.07 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.14 1aoc s SER 163 CO -0.10 0.21 -0.12 -0.36 0.41 0.00 0.00 173.24 173.28 1aoc s PHE 164 N 0.00 1.00 0.15 2.43 0.40 -0.05 -1.26 117.98 120.64 1aoc s PHE 164 Ca 0.14 -0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 55.81 1aoc s PHE 164 Cb -0.12 -0.58 -0.07 0.00 0.51 0.00 0.00 43.02 42.75 1aoc s PHE 164 CO 0.03 0.00 0.80 1.03 0.70 0.00 0.00 175.22 177.78 1aoc s ARG 165 N -1.36 4.58 0.03 0.44 0.52 -1.26 -0.83 118.95 121.07 1aoc s ARG 165 Ca -0.03 1.18 0.06 0.00 -0.52 0.00 0.00 55.73 56.42 1aoc s ARG 165 Cb -0.09 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1aoc s ARG 165 CO 0.01 0.49 -0.18 -0.08 0.02 0.00 0.00 175.30 175.57 1aoc s THR 166 N -0.87 1.43 -0.36 0.02 -1.32 -0.65 -2.30 115.64 111.59 1aoc s THR 166 Ca 0.37 -1.03 -0.22 0.00 -1.21 0.00 0.00 61.69 59.61 1aoc s THR 166 Cb -0.23 -1.24 0.01 0.00 -1.51 0.00 0.00 72.50 69.53 1aoc s THR 166 CO 0.26 0.19 0.70 0.00 -2.21 0.00 0.00 174.62 173.57 1aoc s GLY 169 N -2.96 -0.24 -0.45 0.00 0.00 -1.14 -2.17 107.32 100.36 1aoc s GLY 169 Ca -0.01 0.27 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1aoc s GLY 169 CO 0.51 5.21 0.51 0.00 0.00 0.00 0.00 173.10 179.33 1aoc s PRO 171 N -1.11 4.20 -0.74 0.00 0.04 -1.01 -0.48 135.00 135.90 1aoc s PRO 171 Ca 0.35 2.25 -0.25 0.00 0.04 0.00 0.00 61.00 63.39 1aoc s PRO 171 Cb 0.13 -2.96 0.05 0.00 0.04 0.00 0.00 34.50 31.76 1aoc s PRO 171 CO -0.12 -0.33 1.17 0.00 0.04 0.00 0.00 177.00 177.76 1aoc s ARG 173 N 4.95 3.47 -1.08 0.00 1.81 0.35 -4.75 118.95 123.70 1aoc s ARG 173 Ca 0.31 -0.44 -0.20 0.00 -1.72 0.00 0.00 55.73 53.68 1aoc s ARG 173 Cb -0.11 -2.97 -0.07 0.00 -0.45 0.00 0.00 34.95 31.36 1aoc s ARG 173 CO 0.10 0.54 1.97 -1.13 -0.68 0.00 0.00 175.30 176.10 1aoc n SER 174 N -0.15 3.27 0.00 0.23 3.41 -1.26 0.18 113.62 119.29 1aoc n SER 174 Ca -0.05 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1aoc n SER 174 Cb 0.52 -1.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1aoc n SER 174 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37