#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ai9 s LEU 2 N 0.00 4.12 -1.14 -0.89 2.96 -1.26 -4.22 118.68 118.25 1ai9 s LEU 2 Ca 0.00 0.42 -0.26 0.00 -0.22 0.00 0.00 54.13 54.07 1ai9 s LEU 2 Cb 0.00 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1ai9 s LEU 2 CO 0.00 -0.10 0.49 0.29 -1.32 0.00 0.00 176.35 175.71 1ai9 n LYS 3 N 4.74 -0.40 -1.29 1.98 4.76 -1.26 -4.95 118.16 121.74 1ai9 n LYS 3 Ca -0.09 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.05 1ai9 n LYS 3 Cb 0.51 -2.25 0.09 0.00 -1.84 0.00 0.00 35.03 31.54 1ai9 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ai9 s PRO 4 N -7.18 2.20 0.34 1.97 0.04 -1.26 -5.02 135.00 126.09 1ai9 s PRO 4 Ca 0.36 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 1ai9 s PRO 4 Cb -0.20 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1ai9 s PRO 4 CO 0.87 -1.66 0.92 -0.80 0.04 0.00 0.00 177.00 176.38 1ai9 s ASN 5 N -3.46 7.21 0.12 6.66 0.01 -1.26 -4.85 114.94 119.37 1ai9 s ASN 5 Ca 0.61 1.76 0.10 0.00 -0.71 0.00 0.00 52.86 54.61 1ai9 s ASN 5 Cb -0.17 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 1ai9 s ASN 5 CO 0.56 -0.13 -0.24 0.54 -1.51 0.00 0.00 177.10 176.32 1ai9 s VAL 6 N -1.74 1.99 0.03 1.60 0.11 -0.49 -4.46 120.40 117.44 1ai9 s VAL 6 Ca 0.52 -1.66 0.09 0.00 -2.93 0.00 0.00 61.98 58.00 1ai9 s VAL 6 Cb -0.16 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 1ai9 s VAL 6 CO 0.21 0.00 -0.26 0.00 -3.33 0.00 0.00 175.10 171.72 1ai9 s ALA 7 N -1.15 2.19 -0.11 1.54 0.00 -0.24 -1.36 121.76 122.63 1ai9 s ALA 7 Ca 0.10 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 50.74 1ai9 s ALA 7 Cb -0.10 -0.48 -0.05 0.00 0.00 0.00 0.00 23.12 22.50 1ai9 s ALA 7 CO 0.05 0.52 0.23 0.42 0.00 0.00 0.00 175.76 176.98 1ai9 s ILE 8 N -0.77 5.35 -0.12 0.00 1.01 0.30 -0.02 121.20 126.96 1ai9 s ILE 8 Ca 0.11 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.19 1ai9 s ILE 8 Cb -0.10 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.86 1ai9 s ILE 8 CO 0.02 0.53 -0.16 -0.51 0.00 0.00 0.00 174.94 174.82 1ai9 s ILE 9 N -0.51 1.58 0.04 2.92 2.07 -0.20 -0.36 121.20 126.74 1ai9 s ILE 9 Ca 0.16 -0.69 -0.16 0.00 -1.41 0.00 0.00 60.65 58.55 1ai9 s ILE 9 Cb -0.13 -1.44 0.03 0.00 0.13 0.00 0.00 42.46 41.05 1ai9 s ILE 9 CO 0.05 0.46 0.37 0.54 -1.91 0.00 0.00 174.94 174.45 1ai9 s VAL 10 N 1.00 0.06 -0.17 4.00 0.11 -0.67 -4.54 120.40 120.19 1ai9 s VAL 10 Ca -0.06 -0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1ai9 s VAL 10 Cb -0.15 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1ai9 s VAL 10 CO -0.02 -0.29 -0.11 0.00 -3.33 0.00 0.00 175.10 171.35 1ai9 s ALA 11 N -2.38 2.66 0.01 1.54 0.00 -1.26 -0.01 121.76 122.32 1ai9 s ALA 11 Ca -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.87 1ai9 s ALA 11 Cb -0.01 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 1ai9 s ALA 11 CO -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 175.76 175.62 1ai9 s ALA 12 N 0.90 0.25 -0.15 0.00 0.00 -0.18 -4.74 121.76 117.84 1ai9 s ALA 12 Ca -0.02 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1ai9 s ALA 12 Cb -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1ai9 s ALA 12 CO -0.00 0.00 0.59 -1.17 0.00 0.00 0.00 175.76 175.18 1ai9 s LEU 13 N -0.56 4.22 0.34 0.00 2.96 -0.63 -1.06 118.68 123.94 1ai9 s LEU 13 Ca -0.04 0.89 -0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1ai9 s LEU 13 Cb -0.04 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.73 1ai9 s LEU 13 CO -0.00 -0.16 0.65 -1.59 -1.32 0.00 0.00 176.35 173.93 1ai9 s LYS 14 N 1.31 3.68 0.33 1.98 -2.85 -0.50 -0.18 119.74 123.52 1ai9 s LYS 14 Ca 0.29 0.19 0.22 0.00 -1.00 0.00 0.00 55.97 55.68 1ai9 s LYS 14 Cb -0.16 -2.53 0.19 0.00 -2.06 0.00 0.00 37.83 33.27 1ai9 s LYS 14 CO 0.12 0.09 1.37 -1.00 0.10 0.00 0.00 175.35 176.03 1ai9 h PRO 15 N 1.42 0.00 0.00 1.78 0.13 -1.94 -3.45 132.00 129.95 1ai9 h PRO 15 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ai9 h PRO 15 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ai9 h PRO 15 CO 0.65 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1ai9 h ALA 16 N 1.97 1.00 -4.58 -0.56 0.00 -1.98 -3.47 119.26 111.64 1ai9 h ALA 16 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1ai9 h ALA 16 Cb 1.03 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.93 1ai9 h ALA 16 CO 0.00 0.00 -0.53 1.28 0.00 0.00 0.00 179.25 180.00 1ai9 n LEU 17 N -2.96 -3.35 -4.76 0.00 4.77 0.75 -4.54 117.00 106.92 1ai9 n LEU 17 Ca -0.01 -0.43 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 1ai9 n LEU 17 Cb 0.20 -2.37 -0.04 0.00 -2.33 0.00 0.00 43.42 38.88 1ai9 n LEU 17 CO 0.23 0.32 0.78 -0.83 -1.33 0.00 0.00 177.39 176.56 1ai9 s GLY 18 N -3.79 3.02 0.00 -0.72 0.00 -0.73 -1.53 107.32 103.58 1ai9 s GLY 18 Ca 0.11 0.86 0.00 0.00 0.00 0.00 0.00 44.72 45.69 1ai9 s GLY 18 CO 0.52 1.44 0.00 1.39 0.00 0.00 0.00 173.10 176.45 1ai9 n ILE 19 N 1.02 0.00 -3.95 0.90 -0.00 0.45 -1.60 119.36 116.17 1ai9 n ILE 19 Ca -0.00 -0.27 0.04 0.00 -0.00 0.00 0.00 62.75 62.52 1ai9 n ILE 19 Cb 0.46 0.77 0.01 0.00 -0.00 0.00 0.00 39.64 40.88 1ai9 n ILE 19 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 1ai9 s GLY 20 N -1.37 -0.22 -0.24 7.39 0.00 -1.24 -4.52 107.32 107.12 1ai9 s GLY 20 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 1ai9 s GLY 20 CO 0.00 5.44 0.57 -0.47 0.00 0.00 0.00 173.10 178.64 1ai9 s TYR 21 N -2.03 -0.96 0.00 1.90 5.04 0.33 -2.17 117.35 119.45 1ai9 s TYR 21 Ca 0.29 1.86 0.00 0.00 -2.44 0.00 0.00 57.07 56.78 1ai9 s TYR 21 Cb 0.01 0.53 0.00 0.00 0.35 0.00 0.00 41.96 42.84 1ai9 s TYR 21 CO -0.03 -0.50 0.00 1.17 -1.34 0.00 0.00 175.55 174.86 1ai9 n LYS 22 N 4.67 0.00 0.00 4.97 3.00 -1.26 -1.59 118.16 127.94 1ai9 n LYS 22 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1ai9 n LYS 22 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1ai9 n LYS 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ai9 n GLY 23 N 0.00 0.00 3.15 3.14 0.00 -1.26 -5.15 105.19 105.07 1ai9 n GLY 23 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ai9 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ai9 s LYS 24 N 0.00 0.79 0.04 1.61 0.00 -0.62 -5.09 119.74 116.46 1ai9 s LYS 24 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 55.97 54.55 1ai9 s LYS 24 Cb 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 37.83 37.39 1ai9 s LYS 24 CO 0.00 0.05 0.88 -1.64 0.00 0.00 0.00 175.35 174.63 1ai9 s MET 25 N -2.90 4.57 0.00 1.78 -1.94 -1.26 -0.52 119.30 119.03 1ai9 s MET 25 Ca 0.05 1.26 0.00 0.00 -1.71 0.00 0.00 55.69 55.28 1ai9 s MET 25 Cb -0.02 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.42 1ai9 s MET 25 CO -0.01 0.13 0.24 -0.35 -0.01 0.00 0.00 175.02 175.02 1ai9 n PRO 26 N 3.26 0.44 -3.86 2.03 -0.05 -1.26 -4.79 135.00 130.76 1ai9 n PRO 26 Ca 0.02 0.00 -0.07 0.00 -0.05 0.00 0.00 63.50 63.39 1ai9 n PRO 26 Cb 0.50 -1.22 -0.02 0.00 -0.05 0.00 0.00 33.50 32.70 1ai9 n PRO 26 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 175.50 177.12 1ai9 s TRP 27 N -0.85 -0.13 -0.36 0.54 -2.14 -1.26 -5.09 118.94 109.65 1ai9 s TRP 27 Ca 0.00 -0.30 -0.00 0.00 2.66 0.00 0.00 56.10 58.46 1ai9 s TRP 27 Cb 0.00 0.64 0.13 0.00 -3.10 0.00 0.00 33.47 31.14 1ai9 s TRP 27 CO 0.00 -1.19 0.20 0.50 -2.66 0.00 0.00 176.95 173.80 1ai9 s ARG 28 N -3.92 0.64 -0.56 3.25 3.52 -1.26 -5.07 118.95 115.55 1ai9 s ARG 28 Ca 0.12 -1.32 -0.17 0.00 -0.13 0.00 0.00 55.73 54.23 1ai9 s ARG 28 Cb -0.05 -1.51 0.11 0.00 -1.56 0.00 0.00 34.95 31.94 1ai9 s ARG 28 CO 0.06 -1.16 0.58 -0.51 -0.81 0.00 0.00 175.30 173.46 1ai9 s LEU 29 N 1.13 5.81 0.20 -0.88 1.43 -1.26 -4.94 118.68 120.16 1ai9 s LEU 29 Ca 0.16 -1.60 -0.11 0.00 -1.03 0.00 0.00 54.13 51.55 1ai9 s LEU 29 Cb -0.22 -2.25 0.12 0.00 0.03 0.00 0.00 46.19 43.87 1ai9 s LEU 29 CO -0.06 -0.95 1.85 0.03 0.23 0.00 0.00 176.35 177.45 1ai9 h ARG 30 N 9.00 0.91 -0.36 1.70 2.47 -1.99 -2.27 114.38 123.84 1ai9 h ARG 30 Ca -0.30 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.29 1ai9 h ARG 30 Cb 1.10 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.20 1ai9 h ARG 30 CO 1.05 0.63 -0.06 0.87 0.56 0.00 0.00 179.97 183.02 1ai9 h LYS 31 N 0.93 0.59 -0.30 0.04 1.57 -2.00 -3.00 116.57 114.40 1ai9 h LYS 31 Ca 0.25 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ai9 h LYS 31 Cb -0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1ai9 h LYS 31 CO -0.05 0.66 0.07 1.49 -0.57 0.00 0.00 179.45 181.05 1ai9 h GLU 32 N 0.55 0.48 -0.54 3.15 4.22 -1.84 -1.99 114.58 118.63 1ai9 h GLU 32 Ca 0.11 -0.12 0.07 0.00 0.08 0.00 0.00 59.36 59.51 1ai9 h GLU 32 Cb 0.45 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1ai9 h GLU 32 CO 0.02 0.56 0.20 0.82 -2.18 0.00 0.00 179.01 178.43 1ai9 h ILE 33 N 0.33 0.82 -0.80 2.32 2.04 -1.41 0.20 117.51 121.01 1ai9 h ILE 33 Ca 0.09 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1ai9 h ILE 33 Cb 0.29 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1ai9 h ILE 33 CO 0.00 0.07 0.37 0.03 0.00 0.00 0.00 178.15 178.62 1ai9 h ARG 34 N 0.39 1.17 -0.05 2.37 3.08 -1.37 -2.21 114.38 117.75 1ai9 h ARG 34 Ca 0.26 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1ai9 h ARG 34 Cb 0.28 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 1ai9 h ARG 34 CO -0.26 0.91 0.01 -0.92 -1.07 0.00 0.00 179.97 178.64 1ai9 h TYR 35 N 1.14 0.08 -0.77 3.04 3.20 -0.52 -1.83 116.97 121.32 1ai9 h TYR 35 Ca 0.27 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.31 1ai9 h TYR 35 Cb 0.14 -0.02 -0.12 0.00 1.54 0.00 0.00 36.73 38.27 1ai9 h TYR 35 CO 0.01 0.30 0.17 0.35 -1.64 0.00 0.00 178.16 177.36 1ai9 h PHE 36 N -0.16 0.25 0.05 -3.82 3.04 -0.57 0.19 116.94 115.92 1ai9 h PHE 36 Ca 0.01 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1ai9 h PHE 36 Cb 0.26 0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1ai9 h PHE 36 CO 0.01 -0.13 -0.02 -0.22 -2.02 0.00 0.00 178.31 175.93 1ai9 h LYS 37 N 0.24 -0.06 -0.15 1.11 3.11 -1.16 -1.99 116.57 117.67 1ai9 h LYS 37 Ca 0.44 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1ai9 h LYS 37 Cb 0.78 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1ai9 h LYS 37 CO -0.56 0.19 0.09 -0.44 -2.81 0.00 0.00 179.45 175.93 1ai9 h ASP 38 N -0.32 0.18 -0.59 4.20 3.32 -0.63 -1.82 116.42 120.77 1ai9 h ASP 38 Ca -0.01 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1ai9 h ASP 38 Cb 0.29 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1ai9 h ASP 38 CO 0.01 0.18 0.22 0.58 -1.72 0.00 0.00 179.24 178.51 1ai9 h VAL 39 N 0.17 1.23 0.00 -1.35 2.07 -0.61 -1.65 116.25 116.11 1ai9 h VAL 39 Ca 0.05 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1ai9 h VAL 39 Cb 0.03 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1ai9 h VAL 39 CO -0.01 0.29 0.00 0.71 0.02 0.00 0.00 177.57 178.58 1ai9 h THR 40 N 0.81 0.00 0.02 2.57 1.35 -1.32 -3.35 112.91 112.99 1ai9 h THR 40 Ca 0.19 -0.65 -0.39 0.00 -0.55 0.00 0.00 66.41 65.01 1ai9 h THR 40 Cb 0.23 1.62 -0.06 0.00 -1.73 0.00 0.00 68.15 68.21 1ai9 h THR 40 CO -0.01 0.00 -2.39 0.35 -0.25 0.00 0.00 175.52 173.22 1ai9 n THR 41 N -2.65 1.54 -1.97 6.82 -2.24 -0.69 -4.57 114.28 110.51 1ai9 n THR 41 Ca 0.04 -0.55 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1ai9 n THR 41 Cb 0.43 -1.54 -0.02 0.00 -2.10 0.00 0.00 70.33 67.11 1ai9 n THR 41 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ai9 s ARG 42 N -2.52 4.24 0.17 -0.78 1.81 -0.64 -4.62 118.95 116.61 1ai9 s ARG 42 Ca -0.34 2.36 0.04 0.00 -1.72 0.00 0.00 55.73 56.07 1ai9 s ARG 42 Cb 0.09 -3.07 -0.05 0.00 -0.45 0.00 0.00 34.95 31.47 1ai9 s ARG 42 CO 0.61 -0.43 -0.06 0.95 -0.68 0.00 0.00 175.30 175.70 1ai9 s THR 43 N -0.33 1.05 -0.22 0.02 -4.23 -1.26 -4.87 115.64 105.81 1ai9 s THR 43 Ca 0.57 -2.04 -0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1ai9 s THR 43 Cb -0.43 -2.03 -0.13 0.00 1.34 0.00 0.00 72.50 71.25 1ai9 s THR 43 CO 0.48 -0.59 -0.20 0.41 -0.54 0.00 0.00 174.62 174.18 1ai9 n THR 44 N -0.27 1.23 -1.28 3.99 -1.04 -1.26 -5.00 114.28 110.65 1ai9 n THR 44 Ca -0.08 -0.44 -0.30 0.00 -2.04 0.00 0.00 64.05 61.18 1ai9 n THR 44 Cb 0.62 -1.34 0.11 0.00 -1.82 0.00 0.00 70.33 67.90 1ai9 n THR 44 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1ai9 s LYS 45 N -2.42 1.93 0.00 -2.82 1.02 -1.26 -5.02 119.74 111.16 1ai9 s LYS 45 Ca -0.29 0.99 0.00 0.00 0.02 0.00 0.00 55.97 56.69 1ai9 s LYS 45 Cb 0.08 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.52 1ai9 s LYS 45 CO 0.48 -1.82 0.91 -0.35 -0.92 0.00 0.00 175.35 173.64 1ai9 n PRO 46 N -3.62 0.00 -3.01 -1.68 -0.04 -1.26 -4.27 135.00 121.12 1ai9 n PRO 46 Ca 0.08 0.44 -0.29 0.00 -0.04 0.00 0.00 63.50 63.69 1ai9 n PRO 46 Cb 0.54 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1ai9 n PRO 46 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ai9 n ASN 47 N -1.81 4.73 -4.52 3.54 2.04 -1.26 -5.00 115.26 112.99 1ai9 n ASN 47 Ca 0.00 -3.63 -0.25 0.00 -0.44 0.00 0.00 54.58 50.26 1ai9 n ASN 47 Cb 0.00 -0.67 -0.11 0.00 -2.53 0.00 0.00 39.78 36.47 1ai9 n ASN 47 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1ai9 s THR 48 N -4.00 1.96 0.09 5.53 -1.32 -1.26 -4.94 115.64 111.71 1ai9 s THR 48 Ca 0.45 -2.13 -0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1ai9 s THR 48 Cb 0.24 -2.67 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 1ai9 s THR 48 CO -0.10 -0.18 -0.02 -0.13 -2.21 0.00 0.00 174.62 171.98 1ai9 s ARG 49 N -3.68 0.79 0.36 7.08 0.52 -0.80 -4.94 118.95 118.28 1ai9 s ARG 49 Ca 0.32 -1.33 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1ai9 s ARG 49 Cb 0.05 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 1ai9 s ARG 49 CO 0.15 -0.12 0.53 -0.80 0.02 0.00 0.00 175.30 175.09 1ai9 s ASN 50 N -3.01 6.05 -0.04 0.23 0.01 -1.26 -1.57 114.94 115.35 1ai9 s ASN 50 Ca 0.14 0.14 0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1ai9 s ASN 50 Cb 0.07 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.10 1ai9 s ASN 50 CO -0.05 -0.43 -0.14 0.00 -1.51 0.00 0.00 177.10 174.97 1ai9 s ALA 51 N -2.30 2.69 -0.08 0.60 0.00 0.41 -1.77 121.76 121.32 1ai9 s ALA 51 Ca 0.43 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1ai9 s ALA 51 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1ai9 s ALA 51 CO 0.34 0.56 -0.17 0.14 0.00 0.00 0.00 175.76 176.63 1ai9 s VAL 52 N -0.77 2.76 -0.09 0.00 -7.23 -0.11 -0.66 120.40 114.30 1ai9 s VAL 52 Ca 0.12 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.52 1ai9 s VAL 52 Cb -0.11 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 1ai9 s VAL 52 CO 0.01 0.57 -0.21 0.27 -0.31 0.00 0.00 175.10 175.43 1ai9 s ILE 53 N -0.25 2.35 0.05 -0.62 -5.25 1.00 -0.25 121.20 118.23 1ai9 s ILE 53 Ca 0.00 -0.93 -0.01 0.00 -0.99 0.00 0.00 60.65 58.73 1ai9 s ILE 53 Cb -0.13 -1.91 -0.04 0.00 2.95 0.00 0.00 42.46 43.34 1ai9 s ILE 53 CO 0.03 0.56 -0.03 0.00 -1.79 0.00 0.00 174.94 173.70 1ai9 s MET 54 N 0.12 0.58 0.61 0.37 0.23 -0.21 -0.59 119.30 120.41 1ai9 s MET 54 Ca -0.11 -1.11 -0.14 0.00 -1.03 0.00 0.00 55.69 53.30 1ai9 s MET 54 Cb -0.16 0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.25 1ai9 s MET 54 CO 0.06 -0.09 1.04 0.20 -2.03 0.00 0.00 175.02 174.21 1ai9 s GLY 55 N -2.64 1.92 0.21 3.16 0.00 -0.57 -0.27 107.32 109.11 1ai9 s GLY 55 Ca 0.03 0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.86 1ai9 s GLY 55 CO -0.08 0.50 1.77 -0.09 0.00 0.00 0.00 173.10 175.20 1ai9 h ARG 56 N 0.07 0.48 -0.61 2.90 2.43 -1.58 -2.23 114.38 115.84 1ai9 h ARG 56 Ca -0.46 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1ai9 h ARG 56 Cb 1.21 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.61 1ai9 h ARG 56 CO 0.58 0.32 0.39 0.87 -1.51 0.00 0.00 179.97 180.62 1ai9 h LYS 57 N 0.49 0.75 -0.28 0.20 1.57 -1.93 -2.32 116.57 115.06 1ai9 h LYS 57 Ca 0.30 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1ai9 h LYS 57 Cb 0.30 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1ai9 h LYS 57 CO -0.25 0.50 0.15 1.15 -0.57 0.00 0.00 179.45 180.42 1ai9 h THR 58 N 0.78 1.00 -0.19 -0.16 2.02 -1.83 -2.34 112.91 112.19 1ai9 h THR 58 Ca 0.24 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.36 1ai9 h THR 58 Cb -0.03 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.00 1ai9 h THR 58 CO -0.08 0.06 -0.11 -0.25 0.37 0.00 0.00 175.52 175.51 1ai9 h TRP 59 N 0.30 -0.27 0.00 3.16 2.91 -1.10 -1.02 115.95 119.93 1ai9 h TRP 59 Ca 0.11 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1ai9 h TRP 59 Cb 0.03 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1ai9 h TRP 59 CO -0.09 -0.17 -0.01 0.93 -1.03 0.00 0.00 178.44 178.07 1ai9 h GLU 60 N -0.10 0.00 0.00 2.65 5.08 -1.25 -2.77 114.58 118.18 1ai9 h GLU 60 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ai9 h GLU 60 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ai9 h GLU 60 CO -0.25 0.01 -0.08 -1.13 -1.00 0.00 0.00 179.01 176.56 1ai9 n SER 61 N -3.19 0.34 -4.72 1.42 3.41 -0.40 -4.70 113.62 105.78 1ai9 n SER 61 Ca -0.02 0.44 -0.39 0.00 -0.26 0.00 0.00 58.87 58.64 1ai9 n SER 61 Cb 0.14 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.55 1ai9 n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ai9 s ILE 62 N -3.04 5.11 0.19 -1.33 1.01 -1.05 -5.00 121.20 117.08 1ai9 s ILE 62 Ca 0.12 1.22 -0.33 0.00 0.00 0.00 0.00 60.65 61.66 1ai9 s ILE 62 Cb 0.16 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.56 1ai9 s ILE 62 CO 0.58 0.28 1.46 -2.65 0.00 0.00 0.00 174.94 174.60 1ai9 n PRO 63 N 3.79 1.95 -0.39 2.79 -0.02 -1.26 -4.81 135.00 137.04 1ai9 n PRO 63 Ca -0.04 0.70 0.32 0.00 -2.02 0.00 0.00 63.50 62.46 1ai9 n PRO 63 Cb 0.51 -2.39 0.62 0.00 -0.02 0.00 0.00 33.50 32.22 1ai9 n PRO 63 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1ai9 h GLN 64 N 4.93 0.18 0.00 -0.52 3.07 -1.93 0.65 115.11 121.50 1ai9 h GLN 64 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.28 1ai9 h GLN 64 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1ai9 h GLN 64 CO 0.81 0.12 0.00 0.87 0.09 0.00 0.00 178.83 180.72 1ai9 h LYS 65 N 0.19 0.00 -0.31 0.06 6.56 -2.02 -3.27 116.57 117.78 1ai9 h LYS 65 Ca 0.69 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.28 1ai9 h LYS 65 Cb 2.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.82 1ai9 h LYS 65 CO -0.28 0.00 0.00 1.19 -2.06 0.00 0.00 179.45 178.30 1ai9 n PHE 66 N -2.59 1.10 -4.52 -1.35 3.72 0.22 -4.93 117.46 109.12 1ai9 n PHE 66 Ca 0.03 -0.85 -0.23 0.00 -0.05 0.00 0.00 57.45 56.35 1ai9 n PHE 66 Cb 0.35 -0.34 -0.14 0.00 -0.94 0.00 0.00 39.48 38.41 1ai9 n PHE 66 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1ai9 s ARG 67 N -2.78 1.17 0.79 -1.08 1.70 -1.23 -4.19 118.95 113.32 1ai9 s ARG 67 Ca 0.44 -0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 54.77 1ai9 s ARG 67 Cb 0.35 -1.22 0.06 0.00 -0.57 0.00 0.00 34.95 33.57 1ai9 s ARG 67 CO 0.10 0.31 1.09 -1.25 -1.08 0.00 0.00 175.30 174.47 1ai9 s PRO 68 N -1.09 2.15 0.16 3.89 0.04 -1.26 -4.98 135.00 133.91 1ai9 s PRO 68 Ca 0.05 1.11 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 1ai9 s PRO 68 Cb -0.08 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1ai9 s PRO 68 CO 0.01 -1.70 1.53 -0.51 0.04 0.00 0.00 177.00 176.37 1ai9 s LEU 69 N -5.94 4.37 0.59 -3.56 1.43 -1.26 -4.92 118.68 109.39 1ai9 s LEU 69 Ca 0.61 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 56.08 1ai9 s LEU 69 Cb -0.17 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 1ai9 s LEU 69 CO 0.56 -0.78 1.25 -2.16 0.23 0.00 0.00 176.35 175.45 1ai9 s PRO 70 N 1.08 2.94 -0.66 1.29 0.04 -1.26 -3.36 135.00 135.07 1ai9 s PRO 70 Ca 0.69 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.68 1ai9 s PRO 70 Cb -0.42 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1ai9 s PRO 70 CO 0.31 -1.26 0.00 -0.25 0.04 0.00 0.00 177.00 175.84 1ai9 n ASP 71 N -1.51 -5.18 -4.06 6.66 8.00 -1.26 -4.97 116.55 114.24 1ai9 n ASP 71 Ca 0.13 0.15 -0.15 0.00 0.71 0.00 0.00 54.79 55.63 1ai9 n ASP 71 Cb 0.48 -3.22 -0.13 0.00 -0.02 0.00 0.00 41.12 38.23 1ai9 n ASP 71 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1ai9 s ARG 72 N -2.25 0.59 -0.12 -1.24 0.52 -1.21 -4.56 118.95 110.68 1ai9 s ARG 72 Ca 0.00 -0.62 -0.29 0.00 -0.52 0.00 0.00 55.73 54.30 1ai9 s ARG 72 Cb 0.00 -0.47 -0.03 0.00 0.52 0.00 0.00 34.95 34.97 1ai9 s ARG 72 CO 0.00 0.11 1.36 -1.17 0.02 0.00 0.00 175.30 175.61 1ai9 s LEU 73 N -1.13 4.23 -0.05 2.53 2.96 -0.73 -4.79 118.68 121.70 1ai9 s LEU 73 Ca -0.04 1.86 -0.18 0.00 -0.22 0.00 0.00 54.13 55.55 1ai9 s LEU 73 Cb -0.08 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1ai9 s LEU 73 CO 0.00 -0.78 0.49 0.20 -1.32 0.00 0.00 176.35 174.94 1ai9 s ASN 74 N 2.24 6.81 -0.11 3.68 0.02 0.16 -0.94 114.94 126.81 1ai9 s ASN 74 Ca 0.60 0.97 0.02 0.00 -1.02 0.00 0.00 52.86 53.42 1ai9 s ASN 74 Cb -0.25 -2.30 0.01 0.00 0.02 0.00 0.00 41.25 38.73 1ai9 s ASN 74 CO 0.19 0.13 -0.16 -0.63 0.02 0.00 0.00 177.10 176.66 1ai9 s ILE 75 N -0.16 1.54 -0.15 0.60 1.01 0.66 -1.33 121.20 123.37 1ai9 s ILE 75 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1ai9 s ILE 75 Cb -0.17 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1ai9 s ILE 75 CO 0.13 0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 174.75 1ai9 s ILE 76 N 0.99 2.82 -0.07 2.92 1.09 -0.65 -1.04 121.20 127.25 1ai9 s ILE 76 Ca -0.06 -0.73 -0.03 0.00 -1.10 0.00 0.00 60.65 58.73 1ai9 s ILE 76 Cb -0.15 -2.19 -0.04 0.00 -1.06 0.00 0.00 42.46 39.03 1ai9 s ILE 76 CO -0.02 0.52 0.07 -0.76 -0.10 0.00 0.00 174.94 174.65 1ai9 s LEU 77 N 0.64 3.94 -0.13 2.97 1.43 0.62 -2.53 118.68 125.61 1ai9 s LEU 77 Ca -0.08 0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.05 1ai9 s LEU 77 Cb -0.16 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.08 1ai9 s LEU 77 CO 0.03 0.36 0.56 -0.55 0.23 0.00 0.00 176.35 176.98 1ai9 s SER 78 N -1.18 -0.55 0.37 2.29 0.15 -0.74 -1.39 113.70 112.64 1ai9 s SER 78 Ca 0.17 0.85 0.27 0.00 0.70 0.00 0.00 55.95 57.94 1ai9 s SER 78 Cb -0.12 0.84 1.22 0.00 -1.71 0.00 0.00 66.02 66.26 1ai9 s SER 78 CO 0.06 -0.37 1.81 0.03 1.20 0.00 0.00 173.24 175.98 1ai9 h ARG 79 N 4.33 0.00 -0.00 5.44 3.08 -1.86 -2.48 114.38 122.88 1ai9 h ARG 79 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ai9 h ARG 79 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1ai9 h ARG 79 CO 0.26 0.00 -0.44 0.43 -1.07 0.00 0.00 179.97 179.15 1ai9 n SER 80 N -2.48 0.78 -4.75 7.04 7.64 -1.26 -4.93 113.62 115.65 1ai9 n SER 80 Ca 0.01 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.91 1ai9 n SER 80 Cb 0.19 0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.60 1ai9 n SER 80 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ai9 s TYR 81 N -2.79 3.82 0.48 1.43 2.02 -0.93 -5.06 117.35 116.31 1ai9 s TYR 81 Ca 0.16 1.66 -0.09 0.00 -0.37 0.00 0.00 57.07 58.43 1ai9 s TYR 81 Cb 0.18 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.79 1ai9 s TYR 81 CO 0.64 0.32 0.84 -1.21 -1.57 0.00 0.00 175.55 174.57 1ai9 s GLU 82 N -0.38 3.66 -0.58 -0.62 8.01 -1.26 -3.82 118.70 123.72 1ai9 s GLU 82 Ca 0.41 0.45 -0.28 0.00 0.01 0.00 0.00 54.97 55.56 1ai9 s GLU 82 Cb -0.22 -2.31 0.03 0.00 -4.31 0.00 0.00 34.13 27.32 1ai9 s GLU 82 CO 0.27 -0.22 1.19 -0.80 0.01 0.00 0.00 175.26 175.71 1ai9 s ASN 83 N -3.72 6.45 -0.08 -0.19 0.01 -1.26 -3.85 114.94 112.31 1ai9 s ASN 83 Ca 0.51 0.11 -0.10 0.00 -0.71 0.00 0.00 52.86 52.67 1ai9 s ASN 83 Cb -0.10 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 39.03 1ai9 s ASN 83 CO 0.41 -1.48 0.26 -0.70 -1.51 0.00 0.00 177.10 174.08 1ai9 s GLU 84 N 4.95 0.39 -0.30 -0.60 2.12 -0.69 -5.00 118.70 119.56 1ai9 s GLU 84 Ca 0.43 0.21 -0.20 0.00 0.36 0.00 0.00 54.97 55.77 1ai9 s GLU 84 Cb -0.07 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.49 1ai9 s GLU 84 CO 0.25 -0.07 0.62 0.42 -0.54 0.00 0.00 175.26 175.95 1ai9 s ILE 85 N -0.24 4.95 -0.06 -3.70 1.01 -1.26 -0.36 121.20 121.54 1ai9 s ILE 85 Ca -0.04 0.84 -0.06 0.00 0.00 0.00 0.00 60.65 61.39 1ai9 s ILE 85 Cb -0.03 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1ai9 s ILE 85 CO 0.01 -0.13 0.29 0.40 0.00 0.00 0.00 174.94 175.51 1ai9 h ILE 86 N 5.54 0.00 -1.79 2.92 2.04 -1.12 -3.49 117.51 121.60 1ai9 h ILE 86 Ca -0.27 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1ai9 h ILE 86 Cb 1.12 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ai9 h ILE 86 CO 0.80 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 178.05 1ai9 n ASP 87 N -4.62 0.00 0.25 1.72 5.68 -1.04 -5.00 116.55 113.55 1ai9 n ASP 87 Ca -0.03 -0.79 0.17 0.00 -0.50 0.00 0.00 54.79 53.64 1ai9 n ASP 87 Cb 0.09 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 40.85 1ai9 n ASP 87 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 1ai9 h ASP 88 N 0.00 0.00 0.00 -1.12 3.58 -2.02 -3.11 116.42 113.74 1ai9 h ASP 88 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ai9 h ASP 88 Cb 0.00 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 1ai9 h ASP 88 CO 0.00 0.00 -1.88 0.59 -2.88 0.00 0.00 179.24 175.07 1ai9 n ASN 89 N -2.84 0.64 -4.09 2.28 3.02 -1.26 -4.89 115.26 108.12 1ai9 n ASN 89 Ca -0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 1ai9 n ASN 89 Cb 0.20 1.86 -0.15 0.00 -0.61 0.00 0.00 39.78 41.08 1ai9 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ai9 s ILE 90 N -3.32 1.09 0.02 2.41 1.01 -1.18 0.39 121.20 121.62 1ai9 s ILE 90 Ca -0.07 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1ai9 s ILE 90 Cb 0.12 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 1ai9 s ILE 90 CO 0.79 0.31 -0.10 -0.63 0.00 0.00 0.00 174.94 175.31 1ai9 s ILE 91 N -0.23 0.78 0.01 2.92 1.01 -0.44 -0.45 121.20 124.79 1ai9 s ILE 91 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.01 1ai9 s ILE 91 Cb -0.06 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 1ai9 s ILE 91 CO -0.00 -0.01 -0.15 -1.00 0.00 0.00 0.00 174.94 173.79 1ai9 s HIS 92 N -0.68 2.67 0.09 3.97 3.76 0.52 -1.64 115.29 123.97 1ai9 s HIS 92 Ca -0.00 -0.18 -0.25 0.00 -0.15 0.00 0.00 55.06 54.47 1ai9 s HIS 92 Cb -0.06 -1.54 0.08 0.00 1.11 0.00 0.00 32.58 32.16 1ai9 s HIS 92 CO 0.00 0.25 0.66 0.00 -0.85 0.00 0.00 174.74 174.81 1ai9 s ALA 93 N -0.88 -1.67 -0.97 -1.40 0.00 -1.05 -1.70 121.76 114.09 1ai9 s ALA 93 Ca 0.14 0.75 0.18 0.00 0.00 0.00 0.00 51.96 53.03 1ai9 s ALA 93 Cb -0.11 0.61 -0.18 0.00 0.00 0.00 0.00 23.12 23.45 1ai9 s ALA 93 CO 0.04 -0.67 0.80 -1.13 0.00 0.00 0.00 175.76 174.81 1ai9 n SER 94 N -0.08 0.97 -3.85 0.00 3.41 -1.25 -1.79 113.62 111.04 1ai9 n SER 94 Ca -0.16 -0.99 -0.12 0.00 -0.26 0.00 0.00 58.87 57.35 1ai9 n SER 94 Cb 0.63 0.94 -0.10 0.00 -0.26 0.00 0.00 64.21 65.42 1ai9 n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ai9 s SER 95 N -2.68 -0.03 0.13 4.04 1.04 -1.26 -4.66 113.70 110.27 1ai9 s SER 95 Ca 0.08 -0.08 -0.26 0.00 0.48 0.00 0.00 55.95 56.17 1ai9 s SER 95 Cb 0.14 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1ai9 s SER 95 CO 0.73 -0.32 1.62 -0.29 0.98 0.00 0.00 173.24 175.96 1ai9 h ILE 96 N 4.35 0.32 -0.66 -1.02 2.10 -1.99 -0.66 117.51 119.94 1ai9 h ILE 96 Ca -0.30 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.62 1ai9 h ILE 96 Cb 1.19 0.32 -0.03 0.00 -1.09 0.00 0.00 36.82 37.21 1ai9 h ILE 96 CO 0.40 0.00 0.33 -0.08 -1.08 0.00 0.00 178.15 177.72 1ai9 h GLU 97 N -0.43 0.95 -0.68 2.19 4.81 -2.00 -1.66 114.58 117.76 1ai9 h GLU 97 Ca 0.07 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1ai9 h GLU 97 Cb 0.54 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1ai9 h GLU 97 CO -0.29 0.75 0.29 1.03 -0.73 0.00 0.00 179.01 180.06 1ai9 h SER 98 N 0.92 0.92 -0.64 1.04 0.87 -1.95 -2.56 113.55 112.14 1ai9 h SER 98 Ca 0.23 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1ai9 h SER 98 Cb 0.10 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1ai9 h SER 98 CO -0.03 0.82 0.39 0.77 -0.53 0.00 0.00 176.83 178.25 1ai9 h SER 99 N 0.96 0.62 0.19 6.23 4.64 -0.62 -2.73 113.55 122.83 1ai9 h SER 99 Ca 0.23 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1ai9 h SER 99 Cb 0.18 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ai9 h SER 99 CO -0.02 0.42 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.23 1ai9 h LEU 100 N 0.75 0.00 -1.92 5.97 3.38 -0.90 -1.45 115.31 121.14 1ai9 h LEU 100 Ca 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1ai9 h LEU 100 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ai9 h LEU 100 CO -0.12 0.06 -0.10 0.78 0.09 0.00 0.00 178.44 179.15 1ai9 h ASN 101 N 0.00 0.00 -0.14 -0.43 2.35 -1.35 -1.47 115.58 114.54 1ai9 h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ai9 h ASN 101 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1ai9 h ASN 101 CO 0.01 0.10 0.00 0.18 -1.65 0.00 0.00 177.43 176.07 1ai9 n LEU 102 N -3.49 2.08 -4.71 1.61 4.32 -0.54 -4.31 117.00 111.96 1ai9 n LEU 102 Ca -0.01 -0.80 -0.24 0.00 -0.02 0.00 0.00 56.01 54.93 1ai9 n LEU 102 Cb 0.24 -0.08 -0.07 0.00 -1.62 0.00 0.00 43.42 41.89 1ai9 n LEU 102 CO 0.29 0.40 -0.28 0.68 -1.22 0.00 0.00 177.39 177.26 1ai9 s VAL 103 N -1.84 3.85 0.00 4.08 -7.23 -1.03 -4.99 120.40 113.25 1ai9 s VAL 103 Ca 0.34 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1ai9 s VAL 103 Cb 0.20 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 34.11 1ai9 s VAL 103 CO 0.30 -0.27 0.00 -0.24 -0.31 0.00 0.00 175.10 174.58 1ai9 n SER 104 N -0.70 0.00 0.00 4.85 2.88 -1.26 -2.33 113.62 117.06 1ai9 n SER 104 Ca -0.08 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1ai9 n SER 104 Cb 0.57 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.22 1ai9 n SER 104 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ai9 n ASP 105 N -0.27 0.00 -4.82 -3.46 -0.08 -1.26 -4.90 116.55 101.76 1ai9 n ASP 105 Ca 0.00 0.19 -0.37 0.00 -1.51 0.00 0.00 54.79 53.10 1ai9 n ASP 105 Cb 0.00 -0.29 -0.06 0.00 2.34 0.00 0.00 41.12 43.11 1ai9 n ASP 105 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ai9 s VAL 106 N -2.58 5.29 -0.01 5.18 1.01 -1.26 -1.91 120.40 126.12 1ai9 s VAL 106 Ca 0.07 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.56 1ai9 s VAL 106 Cb 0.05 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1ai9 s VAL 106 CO 0.11 0.54 -0.02 1.21 0.00 0.00 0.00 175.10 176.94 1ai9 n GLU 107 N 2.43 0.03 -4.40 2.72 2.13 -0.61 -4.93 120.64 118.00 1ai9 n GLU 107 Ca -0.16 0.17 -0.27 0.00 0.66 0.00 0.00 57.16 57.57 1ai9 n GLU 107 Cb 0.53 -0.72 -0.11 0.00 0.27 0.00 0.00 31.44 31.41 1ai9 n GLU 107 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ai9 s ARG 108 N -1.10 1.63 -0.11 5.31 0.52 -1.26 -5.01 118.95 118.93 1ai9 s ARG 108 Ca -0.01 -1.49 0.02 0.00 -0.52 0.00 0.00 55.73 53.73 1ai9 s ARG 108 Cb 0.00 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1ai9 s ARG 108 CO 0.02 0.40 -0.18 0.54 0.02 0.00 0.00 175.30 176.11 1ai9 s VAL 109 N -1.73 1.65 -0.05 3.52 0.11 -1.26 -0.44 120.40 122.20 1ai9 s VAL 109 Ca 0.22 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1ai9 s VAL 109 Cb -0.08 -1.48 0.00 0.00 -1.53 0.00 0.00 36.38 33.29 1ai9 s VAL 109 CO 0.11 0.47 -0.16 -0.36 -3.33 0.00 0.00 175.10 171.83 1ai9 s PHE 110 N 0.80 1.66 -0.25 1.54 0.08 0.17 -1.08 117.98 120.90 1ai9 s PHE 110 Ca -0.10 -0.53 -0.20 0.00 0.12 0.00 0.00 56.93 56.22 1ai9 s PHE 110 Cb -0.16 -1.14 -0.02 0.00 -0.57 0.00 0.00 43.02 41.13 1ai9 s PHE 110 CO 0.01 -0.21 0.61 0.42 -0.10 0.00 0.00 175.22 175.95 1ai9 s ILE 111 N 0.24 5.00 -0.81 0.64 1.01 0.97 -0.00 121.20 128.25 1ai9 s ILE 111 Ca -0.08 1.09 0.11 0.00 0.00 0.00 0.00 60.65 61.77 1ai9 s ILE 111 Cb -0.13 -3.92 0.31 0.00 0.01 0.00 0.00 42.46 38.73 1ai9 s ILE 111 CO 0.03 0.04 1.25 2.30 0.00 0.00 0.00 174.94 178.56 1ai9 n ILE 112 N 5.18 1.11 0.00 2.92 -5.35 0.24 -1.03 119.36 122.43 1ai9 n ILE 112 Ca -0.01 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.39 1ai9 n ILE 112 Cb 0.49 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1ai9 n ILE 112 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ai9 n GLY 113 N 0.36 1.46 0.00 3.28 0.00 -1.25 -4.98 105.19 104.06 1ai9 n GLY 113 Ca 0.12 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1ai9 n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ai9 n GLY 114 N -1.20 0.82 0.13 -0.02 0.00 -1.26 -1.51 105.19 102.15 1ai9 n GLY 114 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1ai9 n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ai9 h ALA 115 N -1.60 0.31 -0.47 4.61 0.00 -1.97 0.16 119.26 120.30 1ai9 h ALA 115 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ai9 h ALA 115 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ai9 h ALA 115 CO 0.00 -0.18 0.25 1.49 0.00 0.00 0.00 179.25 180.81 1ai9 h GLU 116 N 0.30 0.66 -0.71 0.00 4.81 -1.96 -0.26 114.58 117.43 1ai9 h GLU 116 Ca 0.09 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ai9 h GLU 116 Cb 0.02 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 1ai9 h GLU 116 CO -0.02 0.53 0.45 0.82 -0.73 0.00 0.00 179.01 180.06 1ai9 h ILE 117 N 0.62 1.11 0.42 2.32 1.08 -1.77 -1.38 117.51 119.91 1ai9 h ILE 117 Ca 0.16 -0.30 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 1ai9 h ILE 117 Cb 0.07 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 1ai9 h ILE 117 CO -0.03 0.16 -0.21 1.88 -0.69 0.00 0.00 178.15 179.27 1ai9 h TYR 118 N 0.89 -0.53 -0.37 1.37 0.05 -0.35 0.40 116.97 118.43 1ai9 h TYR 118 Ca 0.28 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 1ai9 h TYR 118 Cb -0.00 0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 1ai9 h TYR 118 CO -0.04 -0.33 0.04 -0.91 -1.05 0.00 0.00 178.16 175.87 1ai9 h ASN 119 N -0.57 0.52 -0.00 3.88 2.35 -0.97 -1.86 115.58 118.93 1ai9 h ASN 119 Ca -0.06 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1ai9 h ASN 119 Cb 0.44 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1ai9 h ASN 119 CO 0.09 0.57 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.34 1ai9 h GLU 120 N 0.54 0.02 0.00 0.81 4.57 -1.17 -3.37 114.58 115.98 1ai9 h GLU 120 Ca 0.12 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1ai9 h GLU 120 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1ai9 h GLU 120 CO 0.01 0.76 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.51 1ai9 h LEU 121 N -0.71 0.00 -1.70 1.64 4.07 -0.77 -2.83 115.31 115.00 1ai9 h LEU 121 Ca -0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.09 1ai9 h LEU 121 Cb 0.76 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.46 1ai9 h LEU 121 CO 0.00 0.01 0.44 -0.29 -1.08 0.00 0.00 178.44 177.53 1ai9 h ILE 122 N 0.00 0.81 -0.81 1.22 2.10 -1.50 -2.05 117.51 117.27 1ai9 h ILE 122 Ca -0.00 -0.11 -0.31 0.00 1.08 0.00 0.00 64.86 65.53 1ai9 h ILE 122 Cb 0.55 0.47 -0.18 0.00 -1.09 0.00 0.00 36.82 36.57 1ai9 h ILE 122 CO 0.00 0.06 0.39 0.59 -1.08 0.00 0.00 178.15 178.11 1ai9 n ASN 123 N -4.45 4.49 -4.58 2.19 3.02 -1.07 -4.84 115.26 110.02 1ai9 n ASN 123 Ca 0.12 -3.31 -0.36 0.00 -0.03 0.00 0.00 54.58 51.00 1ai9 n ASN 123 Cb 0.50 -0.77 -0.11 0.00 -0.61 0.00 0.00 39.78 38.80 1ai9 n ASN 123 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ai9 s ASN 124 N -1.05 5.66 0.01 6.41 3.84 -0.77 -4.98 114.94 124.06 1ai9 s ASN 124 Ca 0.55 -0.01 0.04 0.00 0.21 0.00 0.00 52.86 53.66 1ai9 s ASN 124 Cb 0.44 -2.01 0.19 0.00 -0.55 0.00 0.00 41.25 39.33 1ai9 s ASN 124 CO 0.13 0.06 1.14 -1.54 -2.79 0.00 0.00 177.10 174.10 1ai9 n SER 125 N 4.32 0.01 0.23 -4.21 3.41 -1.26 -1.35 113.62 114.76 1ai9 n SER 125 Ca -0.16 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 1ai9 n SER 125 Cb 0.52 -0.51 0.50 0.00 -0.26 0.00 0.00 64.21 64.46 1ai9 n SER 125 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ai9 h LEU 126 N 0.00 0.00 -9.04 1.04 3.38 -1.92 -3.42 115.31 105.36 1ai9 h LEU 126 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 1ai9 h LEU 126 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1ai9 h LEU 126 CO 0.00 0.22 0.99 -0.69 0.09 0.00 0.00 178.44 179.05 1ai9 s VAL 127 N -3.75 4.06 -0.02 1.22 1.01 -0.46 -1.39 120.40 121.07 1ai9 s VAL 127 Ca -0.00 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.26 1ai9 s VAL 127 Cb 0.11 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 1ai9 s VAL 127 CO 0.63 -0.33 0.13 -1.54 0.00 0.00 0.00 175.10 173.99 1ai9 n SER 128 N 7.50 3.49 -3.95 3.32 3.41 -0.46 -4.91 113.62 122.02 1ai9 n SER 128 Ca 0.15 -0.04 -0.14 0.00 -0.26 0.00 0.00 58.87 58.58 1ai9 n SER 128 Cb 0.46 1.24 -0.14 0.00 -0.26 0.00 0.00 64.21 65.51 1ai9 n SER 128 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1ai9 s HIS 129 N -2.33 0.37 -0.12 7.33 3.76 -1.15 -3.99 115.29 119.16 1ai9 s HIS 129 Ca -0.02 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 54.77 1ai9 s HIS 129 Cb 0.04 -0.23 0.01 0.00 1.11 0.00 0.00 32.58 33.50 1ai9 s HIS 129 CO 0.23 -0.03 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.36 1ai9 s LEU 130 N -0.37 2.05 -0.39 0.89 1.43 -0.76 -0.54 118.68 120.99 1ai9 s LEU 130 Ca -0.01 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1ai9 s LEU 130 Cb -0.03 -1.38 0.08 0.00 0.03 0.00 0.00 46.19 44.90 1ai9 s LEU 130 CO -0.00 0.11 0.18 -0.76 0.23 0.00 0.00 176.35 176.10 1ai9 s LEU 131 N 0.62 4.89 -0.16 1.79 1.02 0.51 -0.97 118.68 126.39 1ai9 s LEU 131 Ca -0.12 -1.66 -0.02 0.00 0.02 0.00 0.00 54.13 52.35 1ai9 s LEU 131 Cb -0.17 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.17 1ai9 s LEU 131 CO 0.03 -0.47 -0.08 -0.63 0.02 0.00 0.00 176.35 175.22 1ai9 s ILE 132 N 1.27 3.45 -0.38 -0.59 1.01 -0.86 -1.68 121.20 123.43 1ai9 s ILE 132 Ca 0.03 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1ai9 s ILE 132 Cb -0.22 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.76 1ai9 s ILE 132 CO -0.01 0.49 0.79 -0.89 0.00 0.00 0.00 174.94 175.32 1ai9 s THR 133 N 0.56 4.72 -0.38 2.92 2.01 0.99 -1.88 115.64 124.57 1ai9 s THR 133 Ca -0.05 0.83 -0.19 0.00 0.31 0.00 0.00 61.69 62.59 1ai9 s THR 133 Cb -0.15 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.14 1ai9 s THR 133 CO 0.03 -0.47 0.56 -1.61 -0.69 0.00 0.00 174.62 172.43 1ai9 s GLU 134 N 3.14 3.48 0.02 4.92 2.02 -0.19 -1.01 118.70 131.06 1ai9 s GLU 134 Ca 0.31 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.05 1ai9 s GLU 134 Cb -0.13 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.20 1ai9 s GLU 134 CO 0.18 -0.78 0.08 0.42 0.02 0.00 0.00 175.26 175.18 1ai9 s ILE 135 N 2.53 4.69 0.15 -1.63 1.01 -0.22 -1.34 121.20 126.38 1ai9 s ILE 135 Ca 0.20 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.41 1ai9 s ILE 135 Cb -0.15 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1ai9 s ILE 135 CO 0.15 0.30 -0.12 -1.61 0.00 0.00 0.00 174.94 173.66 1ai9 s GLU 136 N -1.89 1.08 -0.04 2.79 2.02 0.26 -1.41 118.70 121.51 1ai9 s GLU 136 Ca 0.24 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.58 1ai9 s GLU 136 Cb -0.12 -0.75 0.05 0.00 0.10 0.00 0.00 34.13 33.41 1ai9 s GLU 136 CO 0.16 0.11 0.54 -1.58 0.02 0.00 0.00 175.26 174.51 1ai9 s HIS 137 N -2.96 -0.48 0.17 1.61 2.46 -1.26 -2.01 115.29 112.83 1ai9 s HIS 137 Ca 0.15 0.81 -0.12 0.00 0.47 0.00 0.00 55.06 56.37 1ai9 s HIS 137 Cb 0.00 0.29 0.07 0.00 -0.13 0.00 0.00 32.58 32.81 1ai9 s HIS 137 CO 0.02 -0.52 1.73 -1.00 -2.47 0.00 0.00 174.74 172.50 1ai9 h PRO 138 N 3.37 0.88 -2.78 2.88 0.13 -2.01 -3.34 132.00 131.13 1ai9 h PRO 138 Ca -0.28 -0.16 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 1ai9 h PRO 138 Cb 1.15 -0.14 -0.39 0.00 0.13 0.00 0.00 31.00 31.75 1ai9 h PRO 138 CO 0.39 0.75 -0.32 0.45 -0.23 0.00 0.00 178.00 179.05 1ai9 n SER 139 N -4.47 3.96 -4.11 1.44 2.88 -1.26 -4.99 113.62 107.08 1ai9 n SER 139 Ca 0.03 -3.31 -0.42 0.00 -1.33 0.00 0.00 58.87 53.85 1ai9 n SER 139 Cb 0.16 -0.85 -0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1ai9 n SER 139 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ai9 n PRO 140 N 1.54 2.90 0.00 -1.46 -0.04 -1.26 -3.19 135.00 133.50 1ai9 n PRO 140 Ca 0.25 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1ai9 n PRO 140 Cb 0.37 -3.38 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 1ai9 n PRO 140 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ai9 n GLU 141 N 7.17 0.00 0.00 0.54 1.02 -1.26 -4.91 120.64 123.19 1ai9 n GLU 141 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1ai9 n GLU 141 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1ai9 n GLU 141 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ai9 n SER 142 N 0.00 0.00 -4.14 1.62 3.41 -1.19 -5.04 113.62 108.27 1ai9 n SER 142 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1ai9 n SER 142 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1ai9 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ai9 s ILE 143 N 0.00 3.95 0.14 -1.33 1.01 -1.26 -5.06 121.20 118.65 1ai9 s ILE 143 Ca 0.00 -2.58 -0.31 0.00 0.00 0.00 0.00 60.65 57.76 1ai9 s ILE 143 Cb 0.00 -3.58 -0.09 0.00 0.01 0.00 0.00 42.46 38.81 1ai9 s ILE 143 CO 0.00 -0.85 1.42 -1.61 0.00 0.00 0.00 174.94 173.90 1ai9 s GLU 144 N 0.37 4.31 -0.05 2.79 0.41 -1.26 -4.99 118.70 120.28 1ai9 s GLU 144 Ca 0.14 2.14 -0.12 0.00 -0.41 0.00 0.00 54.97 56.71 1ai9 s GLU 144 Cb -0.20 -3.22 0.02 0.00 -1.78 0.00 0.00 34.13 28.95 1ai9 s GLU 144 CO -0.04 -0.45 0.28 0.00 -0.49 0.00 0.00 175.26 174.57 1ai9 s MET 145 N 0.90 0.54 -0.00 1.61 0.23 -1.26 -4.79 119.30 116.52 1ai9 s MET 145 Ca 0.64 -0.01 0.07 0.00 -1.03 0.00 0.00 55.69 55.36 1ai9 s MET 145 Cb -0.38 0.24 -0.09 0.00 -1.53 0.00 0.00 34.83 33.07 1ai9 s MET 145 CO 0.32 -0.13 0.22 -0.40 -2.03 0.00 0.00 175.02 173.00 1ai9 n ASP 146 N 1.85 1.69 -4.20 -1.18 5.75 -0.92 -5.02 116.55 114.52 1ai9 n ASP 146 Ca -0.19 -0.37 -0.30 0.00 -0.01 0.00 0.00 54.79 53.92 1ai9 n ASP 146 Cb 0.57 1.14 -0.17 0.00 -1.03 0.00 0.00 41.12 41.62 1ai9 n ASP 146 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ai9 s THR 147 N -1.99 1.88 0.06 2.12 2.01 -1.07 -5.03 115.64 113.62 1ai9 s THR 147 Ca 0.00 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.08 1ai9 s THR 147 Cb 0.05 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1ai9 s THR 147 CO 0.28 0.52 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.31 1ai9 s PHE 148 N 0.19 0.68 0.21 4.92 0.08 -1.26 -0.41 117.98 122.39 1ai9 s PHE 148 Ca -0.12 -0.76 -0.27 0.00 0.12 0.00 0.00 56.93 55.90 1ai9 s PHE 148 Cb -0.16 -0.42 -0.09 0.00 -0.57 0.00 0.00 43.02 41.79 1ai9 s PHE 148 CO 0.06 -0.17 0.85 -0.51 -0.10 0.00 0.00 175.22 175.35 1ai9 s LEU 149 N -2.36 4.59 -0.71 -0.37 1.43 -0.58 -4.93 118.68 115.75 1ai9 s LEU 149 Ca 0.01 1.77 0.04 0.00 -1.03 0.00 0.00 54.13 54.92 1ai9 s LEU 149 Cb -0.01 -3.48 0.25 0.00 0.03 0.00 0.00 46.19 42.98 1ai9 s LEU 149 CO -0.04 0.17 0.80 2.29 0.23 0.00 0.00 176.35 179.80 1ai9 n LYS 150 N 1.45 2.68 -3.76 1.70 2.85 -1.26 -4.89 118.16 116.92 1ai9 n LYS 150 Ca -0.04 -4.64 -0.36 0.00 -1.05 0.00 0.00 58.31 52.23 1ai9 n LYS 150 Cb 0.48 -2.30 -0.10 0.00 -0.65 0.00 0.00 35.03 32.47 1ai9 n LYS 150 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1ai9 s PHE 151 N -2.36 3.27 -1.33 5.58 0.08 -1.26 -4.90 117.98 117.06 1ai9 s PHE 151 Ca 0.37 0.11 -0.16 0.00 0.12 0.00 0.00 56.93 57.37 1ai9 s PHE 151 Cb 0.11 -2.22 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1ai9 s PHE 151 CO -0.02 0.04 2.14 -0.35 -0.10 0.00 0.00 175.22 176.93 1ai9 n PRO 152 N 4.16 2.64 0.10 0.24 -0.04 -1.26 -4.77 135.00 136.06 1ai9 n PRO 152 Ca -0.16 -2.53 0.10 0.00 -0.04 0.00 0.00 63.50 60.88 1ai9 n PRO 152 Cb 0.52 -3.25 0.44 0.00 -0.04 0.00 0.00 33.50 31.16 1ai9 n PRO 152 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ai9 n LEU 153 N 6.64 0.47 0.17 1.53 4.77 -1.26 -2.04 117.00 127.27 1ai9 n LEU 153 Ca 0.51 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 57.26 1ai9 n LEU 153 Cb 0.40 -0.59 0.51 0.00 -2.33 0.00 0.00 43.42 41.41 1ai9 n LEU 153 CO 0.91 -0.55 0.89 1.05 -1.33 0.00 0.00 177.39 178.36 1ai9 h GLU 154 N 0.00 0.00 -0.01 3.23 9.09 -2.03 -1.78 114.58 123.08 1ai9 h GLU 154 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ai9 h GLU 154 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1ai9 h GLU 154 CO 0.00 0.00 -0.31 0.43 0.05 0.00 0.00 179.01 179.18 1ai9 n SER 155 N -2.48 1.12 -4.57 3.06 7.64 -0.87 -4.94 113.62 112.59 1ai9 n SER 155 Ca 0.02 -0.94 -0.30 0.00 1.01 0.00 0.00 58.87 58.67 1ai9 n SER 155 Cb 0.29 0.20 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 1ai9 n SER 155 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1ai9 s TRP 156 N -2.53 2.72 -0.20 1.43 0.52 -0.67 -1.51 118.94 118.70 1ai9 s TRP 156 Ca 0.23 -0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.15 1ai9 s TRP 156 Cb 0.19 -1.43 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 1ai9 s TRP 156 CO 0.54 0.42 -0.07 0.99 0.02 0.00 0.00 176.95 178.85 1ai9 s THR 157 N -1.20 3.23 -0.12 2.01 2.01 0.17 -4.81 115.64 116.93 1ai9 s THR 157 Ca 0.21 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.36 1ai9 s THR 157 Cb -0.11 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 1ai9 s THR 157 CO 0.13 0.45 1.39 -0.75 -0.69 0.00 0.00 174.62 175.15 1ai9 s LYS 158 N 1.25 4.22 0.62 4.92 2.20 -1.26 -1.44 119.74 130.25 1ai9 s LYS 158 Ca 0.03 1.84 -0.09 0.00 -0.36 0.00 0.00 55.97 57.39 1ai9 s LYS 158 Cb -0.14 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 1ai9 s LYS 158 CO -0.03 -0.74 0.99 -0.65 -0.36 0.00 0.00 175.35 174.57 1ai9 s GLN 159 N 3.57 3.21 0.66 4.03 -1.52 0.64 -4.99 119.66 125.26 1ai9 s GLN 159 Ca 0.61 0.42 -0.14 0.00 -1.95 0.00 0.00 55.36 54.29 1ai9 s GLN 159 Cb -0.26 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.39 1ai9 s GLN 159 CO 0.20 -0.69 1.10 -2.14 -0.25 0.00 0.00 175.29 173.50 1ai9 s PRO 160 N -5.13 2.82 0.35 2.91 0.02 -1.26 -4.64 135.00 130.06 1ai9 s PRO 160 Ca 0.55 1.31 0.09 0.00 0.02 0.00 0.00 61.00 62.97 1ai9 s PRO 160 Cb -0.11 -1.96 0.82 0.00 0.02 0.00 0.00 34.50 33.28 1ai9 s PRO 160 CO 0.50 -1.22 1.85 -0.22 -0.33 0.00 0.00 177.00 177.58 1ai9 h LYS 161 N -0.09 0.67 -0.78 5.54 3.64 -1.97 -1.13 116.57 122.45 1ai9 h LYS 161 Ca -0.46 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.05 1ai9 h LYS 161 Cb 1.24 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1ai9 h LYS 161 CO 0.54 0.44 0.52 0.66 -2.27 0.00 0.00 179.45 179.35 1ai9 h SER 162 N 0.69 0.34 0.96 4.20 4.64 -2.00 0.71 113.55 123.09 1ai9 h SER 162 Ca 0.48 0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.64 1ai9 h SER 162 Cb 0.80 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 1ai9 h SER 162 CO -0.23 0.16 -0.86 -0.33 -0.87 0.00 0.00 176.83 174.70 1ai9 h GLU 163 N 0.35 0.00 -0.13 4.77 4.39 -1.55 -2.47 114.58 119.94 1ai9 h GLU 163 Ca 0.39 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.03 1ai9 h GLU 163 Cb 0.99 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1ai9 h GLU 163 CO -0.12 0.86 -0.16 1.25 -1.16 0.00 0.00 179.01 179.69 1ai9 h LEU 164 N 0.00 0.36 -0.83 1.33 5.85 -1.31 -1.84 115.31 118.87 1ai9 h LEU 164 Ca -0.01 -0.50 0.11 0.00 0.84 0.00 0.00 57.88 58.32 1ai9 h LEU 164 Cb 1.58 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.43 1ai9 h LEU 164 CO 0.11 0.79 0.46 -0.61 -0.34 0.00 0.00 178.44 178.86 1ai9 h GLN 165 N -0.06 0.72 -0.75 1.25 5.75 -0.80 0.11 115.11 121.32 1ai9 h GLN 165 Ca 0.02 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.43 1ai9 h GLN 165 Cb 0.70 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.06 1ai9 h GLN 165 CO 0.04 0.48 0.30 0.87 -2.65 0.00 0.00 178.83 177.86 1ai9 h LYS 166 N 0.74 1.12 -0.34 1.69 1.57 -1.37 0.28 116.57 120.27 1ai9 h LYS 166 Ca 0.42 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1ai9 h LYS 166 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1ai9 h LYS 166 CO -0.28 0.91 -0.05 0.35 -0.57 0.00 0.00 179.45 179.81 1ai9 h PHE 167 N 1.10 0.70 0.00 -1.35 3.04 0.03 -3.18 116.94 117.28 1ai9 h PHE 167 Ca 0.25 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1ai9 h PHE 167 Cb 0.21 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.55 1ai9 h PHE 167 CO 0.02 0.78 -0.57 -0.39 -2.02 0.00 0.00 178.31 176.13 1ai9 h VAL 168 N 0.42 0.00 0.00 1.41 -1.51 -1.05 -3.49 116.25 112.03 1ai9 h VAL 168 Ca 0.09 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1ai9 h VAL 168 Cb 0.54 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1ai9 h VAL 168 CO 0.03 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.98 1ai9 n GLY 169 N 1.31 2.86 0.29 5.19 0.00 0.98 -3.60 105.19 112.22 1ai9 n GLY 169 Ca 0.03 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1ai9 n GLY 169 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ai9 h ASP 170 N 0.00 0.18 -2.55 1.61 3.32 -1.94 -3.45 116.42 113.59 1ai9 h ASP 170 Ca 0.00 -0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 1ai9 h ASP 170 Cb 0.00 -0.04 0.10 0.00 0.22 0.00 0.00 39.33 39.60 1ai9 h ASP 170 CO 0.00 0.13 0.36 0.41 -1.72 0.00 0.00 179.24 178.42 1ai9 n THR 171 N -4.50 1.45 -2.77 0.35 -1.04 -1.24 -4.95 114.28 101.60 1ai9 n THR 171 Ca 0.01 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.24 1ai9 n THR 171 Cb 0.15 -1.20 -0.03 0.00 -1.82 0.00 0.00 70.33 67.43 1ai9 n THR 171 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1ai9 s VAL 172 N -0.59 4.86 -0.32 12.58 1.01 -1.26 -5.03 120.40 131.66 1ai9 s VAL 172 Ca 0.64 1.96 0.03 0.00 0.00 0.00 0.00 61.98 64.61 1ai9 s VAL 172 Cb -0.70 -4.28 0.09 0.00 0.00 0.00 0.00 36.38 31.49 1ai9 s VAL 172 CO 0.56 0.19 0.01 -0.76 0.00 0.00 0.00 175.10 175.10 1ai9 s LEU 173 N 0.88 4.38 0.44 3.92 1.43 -1.26 -5.07 118.68 123.40 1ai9 s LEU 173 Ca 0.49 -1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 51.60 1ai9 s LEU 173 Cb -0.21 -1.62 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1ai9 s LEU 173 CO 0.27 -0.33 0.80 -1.83 0.23 0.00 0.00 176.35 175.48 1ai9 s GLU 174 N 0.98 3.72 0.05 1.70 1.03 -1.26 -5.08 118.70 119.84 1ai9 s GLU 174 Ca 0.04 0.44 0.02 0.00 0.03 0.00 0.00 54.97 55.51 1ai9 s GLU 174 Cb -0.20 -2.36 -0.04 0.00 -0.80 0.00 0.00 34.13 30.73 1ai9 s GLU 174 CO -0.07 -0.11 0.06 -0.51 -1.33 0.00 0.00 175.26 173.30 1ai9 s ASP 175 N -3.42 5.46 -1.25 0.83 1.01 -1.26 -4.70 116.67 113.34 1ai9 s ASP 175 Ca 0.51 0.01 -0.17 0.00 0.71 0.00 0.00 52.55 53.61 1ai9 s ASP 175 Cb -0.10 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.36 1ai9 s ASP 175 CO 0.36 0.21 0.62 0.47 0.21 0.00 0.00 175.17 177.04 1ai9 n ASP 176 N 0.75 -3.29 -4.66 0.27 8.00 -1.22 -4.88 116.55 111.51 1ai9 n ASP 176 Ca -0.11 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1ai9 n ASP 176 Cb 0.52 -2.86 -0.03 0.00 -0.02 0.00 0.00 41.12 38.74 1ai9 n ASP 176 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ai9 s ILE 177 N -3.67 3.80 -0.15 0.53 1.01 -0.50 -4.74 121.20 117.47 1ai9 s ILE 177 Ca 0.32 1.01 -0.04 0.00 0.00 0.00 0.00 60.65 61.94 1ai9 s ILE 177 Cb -0.13 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1ai9 s ILE 177 CO 0.90 -0.07 -0.02 -0.75 0.00 0.00 0.00 174.94 174.99 1ai9 s LYS 178 N 3.60 3.62 -0.27 2.79 2.47 -1.26 -0.56 119.74 130.13 1ai9 s LYS 178 Ca 0.66 -0.49 -0.04 0.00 -1.56 0.00 0.00 55.97 54.55 1ai9 s LYS 178 Cb -0.30 -2.92 0.10 0.00 -1.46 0.00 0.00 37.83 33.25 1ai9 s LYS 178 CO 0.25 0.30 0.15 -1.21 0.16 0.00 0.00 175.35 174.99 1ai9 s GLU 179 N 0.22 0.19 6.72 4.03 2.02 -0.05 -5.01 118.70 126.81 1ai9 s GLU 179 Ca -0.01 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1ai9 s GLU 179 Cb -0.14 -1.18 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1ai9 s GLU 179 CO 0.03 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 174.75 1ai9 n GLY 180 N 5.26 1.60 0.25 -1.39 0.00 -1.26 -1.89 105.19 107.76 1ai9 n GLY 180 Ca -0.06 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.63 1ai9 n GLY 180 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ai9 n ASP 181 N 6.07 0.92 -4.84 1.61 8.00 -1.26 -4.90 116.55 122.15 1ai9 n ASP 181 Ca 0.00 -0.93 -0.36 0.00 0.71 0.00 0.00 54.79 54.21 1ai9 n ASP 181 Cb 0.00 0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1ai9 n ASP 181 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ai9 s PHE 182 N -2.37 3.67 -0.11 1.24 0.08 -0.79 -4.30 117.98 115.40 1ai9 s PHE 182 Ca 0.30 1.09 0.01 0.00 0.12 0.00 0.00 56.93 58.44 1ai9 s PHE 182 Cb 0.20 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1ai9 s PHE 182 CO 0.46 0.50 -0.11 0.99 -0.10 0.00 0.00 175.22 176.96 1ai9 s THR 183 N -1.33 1.21 0.11 0.64 2.01 -0.85 -0.87 115.64 116.55 1ai9 s THR 183 Ca 0.34 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1ai9 s THR 183 Cb -0.16 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 1ai9 s THR 183 CO 0.18 0.39 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.70 1ai9 s TYR 184 N 1.30 1.01 0.04 4.92 1.13 0.28 0.89 117.35 126.92 1ai9 s TYR 184 Ca -0.02 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 54.85 1ai9 s TYR 184 Cb -0.14 -0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1ai9 s TYR 184 CO -0.05 -0.05 -0.04 -0.80 -2.51 0.00 0.00 175.55 172.10 1ai9 s ASN 185 N -2.87 0.54 0.10 -0.18 -0.87 -0.45 -1.42 114.94 109.79 1ai9 s ASN 185 Ca 0.10 -0.70 -0.11 0.00 -1.57 0.00 0.00 52.86 50.58 1ai9 s ASN 185 Cb 0.02 0.11 -0.06 0.00 -0.02 0.00 0.00 41.25 41.30 1ai9 s ASN 185 CO -0.02 -0.38 0.45 -0.31 -2.57 0.00 0.00 177.10 174.27 1ai9 s TYR 186 N -2.34 3.60 0.07 2.20 2.02 -1.26 -1.02 117.35 120.61 1ai9 s TYR 186 Ca -0.06 0.88 -0.06 0.00 -0.37 0.00 0.00 57.07 57.47 1ai9 s TYR 186 Cb -0.04 -2.23 -0.02 0.00 -0.40 0.00 0.00 41.96 39.28 1ai9 s TYR 186 CO -0.03 0.49 0.10 0.95 -1.57 0.00 0.00 175.55 175.49 1ai9 s THR 187 N -1.41 0.17 0.04 -0.71 -4.23 -0.79 -4.97 115.64 103.74 1ai9 s THR 187 Ca 0.34 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.56 1ai9 s THR 187 Cb -0.14 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.36 1ai9 s THR 187 CO 0.18 -0.75 -0.19 -0.22 -0.54 0.00 0.00 174.62 173.10 1ai9 s LEU 188 N -2.74 2.15 0.01 4.79 2.96 -1.26 -2.02 118.68 122.58 1ai9 s LEU 188 Ca 0.04 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1ai9 s LEU 188 Cb 0.05 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.82 1ai9 s LEU 188 CO -0.09 0.14 -0.03 0.26 -1.32 0.00 0.00 176.35 175.30 1ai9 s TRP 189 N -0.77 0.30 0.15 5.38 0.52 -0.14 -0.26 118.94 124.12 1ai9 s TRP 189 Ca 0.06 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 55.96 1ai9 s TRP 189 Cb -0.08 -0.20 -0.04 0.00 -1.15 0.00 0.00 33.47 32.00 1ai9 s TRP 189 CO 0.01 -0.08 -0.12 0.95 0.02 0.00 0.00 176.95 177.74 1ai9 s THR 190 N -0.74 1.33 0.29 2.01 -4.23 -0.52 -1.83 115.64 111.96 1ai9 s THR 190 Ca -0.06 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.18 1ai9 s THR 190 Cb -0.05 -1.78 -0.10 0.00 1.34 0.00 0.00 72.50 71.91 1ai9 s THR 190 CO -0.00 -0.61 1.21 -0.13 -0.54 0.00 0.00 174.62 174.55 1ai9 s ARG 191 N -3.37 4.49 0.00 3.99 0.52 -1.26 0.45 118.95 123.77 1ai9 s ARG 191 Ca 0.15 2.01 0.24 0.00 -0.52 0.00 0.00 55.73 57.61 1ai9 s ARG 191 Cb -0.01 -3.14 1.43 0.00 0.52 0.00 0.00 34.95 33.76 1ai9 s ARG 191 CO 0.03 -0.01 1.80 0.36 0.02 0.00 0.00 175.30 177.49