#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ii9 h GLN 2 N 0.00 0.76 0.00 0.03 4.20 -1.96 -2.49 115.11 115.66 1ii9 h GLN 2 Ca 0.00 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1ii9 h GLN 2 Cb 0.00 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1ii9 h GLN 2 CO 0.00 0.87 0.00 1.97 -0.67 0.00 0.00 178.83 181.00 1ii9 n PHE 3 N -4.37 0.45 0.99 2.96 1.16 -1.26 -1.03 117.46 116.36 1ii9 n PHE 3 Ca -0.01 0.23 0.10 0.00 -1.87 0.00 0.00 57.45 55.90 1ii9 n PHE 3 Cb 0.33 -0.86 -0.04 0.00 -1.61 0.00 0.00 39.48 37.30 1ii9 n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1ii9 n LEU 4 N -1.95 0.88 -4.71 5.98 7.99 -0.94 -4.81 117.00 119.43 1ii9 n LEU 4 Ca -0.01 -0.38 -0.40 0.00 -0.01 0.00 0.00 56.01 55.21 1ii9 n LEU 4 Cb 0.04 -0.06 -0.04 0.00 -0.11 0.00 0.00 43.42 43.25 1ii9 n LEU 4 CO 0.07 0.22 0.46 -1.10 -1.51 0.00 0.00 177.39 175.53 1ii9 s GLN 5 N -3.00 4.44 -1.39 3.23 -1.52 -0.19 -4.31 119.66 116.92 1ii9 s GLN 5 Ca 0.09 0.97 -0.04 0.00 -1.95 0.00 0.00 55.36 54.43 1ii9 s GLN 5 Cb 0.16 -3.46 0.03 0.00 -0.22 0.00 0.00 33.01 29.52 1ii9 s GLN 5 CO 0.83 0.01 0.74 0.09 -0.25 0.00 0.00 175.29 176.71 1ii9 n ASN 6 N 3.92 -2.02 -4.74 5.90 4.13 -1.26 -4.93 115.26 116.26 1ii9 n ASN 6 Ca 0.00 -0.84 -0.41 0.00 1.68 0.00 0.00 54.58 55.01 1ii9 n ASN 6 Cb 0.51 -3.85 -0.03 0.00 -1.54 0.00 0.00 39.78 34.87 1ii9 n ASN 6 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ii9 s ILE 7 N -3.61 3.03 0.96 2.41 1.01 -1.26 -5.02 121.20 118.72 1ii9 s ILE 7 Ca 0.19 0.87 -0.15 0.00 0.00 0.00 0.00 60.65 61.56 1ii9 s ILE 7 Cb -0.09 -3.56 0.20 0.00 0.01 0.00 0.00 42.46 39.02 1ii9 s ILE 7 CO 0.83 0.14 1.31 -2.16 0.00 0.00 0.00 174.94 175.06 1ii9 s PRO 8 N -0.33 0.62 0.48 2.79 0.04 -1.26 -4.95 135.00 132.39 1ii9 s PRO 8 Ca 0.57 -0.50 0.17 0.00 0.04 0.00 0.00 61.00 61.27 1ii9 s PRO 8 Cb -0.38 -1.87 1.18 0.00 0.04 0.00 0.00 34.50 33.47 1ii9 s PRO 8 CO 0.41 -2.41 2.05 -1.00 0.04 0.00 0.00 177.00 176.09 1ii9 h PRO 9 N -1.61 0.18 -5.04 0.56 0.13 -1.71 -3.40 132.00 121.12 1ii9 h PRO 9 Ca -0.44 -0.01 -0.66 0.00 -0.87 0.00 0.00 66.00 64.03 1ii9 h PRO 9 Cb 1.23 -0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1ii9 h PRO 9 CO 0.36 0.12 -0.73 0.71 -0.23 0.00 0.00 178.00 178.23 1ii9 s TYR 10 N -5.20 2.94 -0.13 1.56 2.02 0.71 0.15 117.35 119.40 1ii9 s TYR 10 Ca -0.06 -0.91 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 1ii9 s TYR 10 Cb 0.18 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.70 1ii9 s TYR 10 CO 0.72 -0.51 -0.13 -1.17 -1.57 0.00 0.00 175.55 172.89 1ii9 s LEU 11 N 1.33 1.57 0.03 -1.29 2.96 -0.83 -1.25 118.68 121.19 1ii9 s LEU 11 Ca 0.04 -0.42 0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1ii9 s LEU 11 Cb -0.14 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.45 1ii9 s LEU 11 CO -0.03 -0.05 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.41 1ii9 s PHE 12 N 1.41 2.57 -0.07 5.38 0.40 -0.81 -1.12 117.98 125.73 1ii9 s PHE 12 Ca 0.02 -0.25 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 1ii9 s PHE 12 Cb -0.13 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 1ii9 s PHE 12 CO -0.08 0.23 -0.17 -0.06 0.70 0.00 0.00 175.22 175.85 1ii9 s PHE 13 N -0.89 2.67 0.05 0.36 0.40 -0.80 -1.29 117.98 118.48 1ii9 s PHE 13 Ca 0.14 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1ii9 s PHE 13 Cb -0.10 -1.68 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1ii9 s PHE 13 CO 0.04 -0.02 -0.08 -0.08 0.70 0.00 0.00 175.22 175.79 1ii9 s THR 14 N -0.30 0.61 0.00 0.64 -1.32 -0.56 -2.88 115.64 111.83 1ii9 s THR 14 Ca 0.02 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 1ii9 s THR 14 Cb -0.13 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1ii9 s THR 14 CO 0.03 -0.46 0.00 0.61 -2.21 0.00 0.00 174.62 172.59 1ii9 n GLY 15 N 1.18 1.75 3.71 6.08 0.00 -1.26 -0.15 105.19 116.50 1ii9 n GLY 15 Ca -0.21 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1ii9 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ii9 s LYS 16 N -2.00 1.43 0.01 1.61 -2.85 -1.26 -4.89 119.74 111.79 1ii9 s LYS 16 Ca 0.00 1.19 -0.33 0.00 -1.00 0.00 0.00 55.97 55.83 1ii9 s LYS 16 Cb 0.00 -1.80 -0.12 0.00 -2.06 0.00 0.00 37.83 33.85 1ii9 s LYS 16 CO 0.00 -2.23 1.82 0.41 0.10 0.00 0.00 175.35 175.45 1ii9 n GLY 17 N -0.61 1.46 1.34 0.59 0.00 -1.26 -1.89 105.19 104.82 1ii9 n GLY 17 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1ii9 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ii9 n GLY 18 N 4.17 0.89 0.21 -0.02 0.00 -1.26 -4.65 105.19 104.54 1ii9 n GLY 18 Ca 0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.38 1ii9 n GLY 18 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ii9 h VAL 19 N 0.00 0.00 0.00 1.61 -1.51 -1.72 -3.46 116.25 111.17 1ii9 h VAL 19 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1ii9 h VAL 19 Cb 0.00 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 1ii9 h VAL 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1ii9 n GLY 20 N -0.20 1.89 0.08 5.19 0.00 -1.26 -4.84 105.19 106.05 1ii9 n GLY 20 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 1ii9 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii9 h LYS 21 N 0.00 -0.10 -0.41 1.61 1.57 -1.89 -1.25 116.57 116.09 1ii9 h LYS 21 Ca 0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ii9 h LYS 21 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1ii9 h LYS 21 CO 0.00 0.10 0.14 1.15 -0.57 0.00 0.00 179.45 180.26 1ii9 h THR 22 N -0.29 1.21 -0.03 -0.16 2.02 -1.97 0.23 112.91 113.92 1ii9 h THR 22 Ca -0.01 -0.70 0.03 0.00 0.77 0.00 0.00 66.41 66.50 1ii9 h THR 22 Cb 0.25 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1ii9 h THR 22 CO 0.02 0.25 -0.15 0.28 0.37 0.00 0.00 175.52 176.29 1ii9 h SER 23 N 0.52 -0.44 -0.84 4.18 0.02 -1.97 -0.15 113.55 114.88 1ii9 h SER 23 Ca 0.13 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1ii9 h SER 23 Cb 0.25 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 1ii9 h SER 23 CO -0.01 -0.20 0.55 0.40 -1.14 0.00 0.00 176.83 176.43 1ii9 h ILE 24 N -0.23 1.19 0.39 3.27 2.04 -1.06 -0.32 117.51 122.80 1ii9 h ILE 24 Ca 0.06 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 1ii9 h ILE 24 Cb 0.31 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1ii9 h ILE 24 CO -0.17 0.20 -0.19 0.28 0.00 0.00 0.00 178.15 178.27 1ii9 h SER 25 N 1.10 -0.44 -0.38 1.72 0.02 -0.03 -0.02 113.55 115.51 1ii9 h SER 25 Ca 0.31 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1ii9 h SER 25 Cb -0.08 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.52 1ii9 h SER 25 CO -0.08 -0.32 0.07 0.00 -1.14 0.00 0.00 176.83 175.37 1ii9 h ALA 27 N 1.29 0.33 -0.51 0.00 0.00 -0.83 -2.02 119.26 117.52 1ii9 h ALA 27 Ca 0.18 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.08 1ii9 h ALA 27 Cb 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ii9 h ALA 27 CO -0.24 -0.37 -0.07 1.15 0.00 0.00 0.00 179.25 179.72 1ii9 h THR 28 N 0.14 1.26 -0.58 0.00 2.02 -0.29 -1.99 112.91 113.47 1ii9 h THR 28 Ca 0.16 -1.17 0.10 0.00 0.77 0.00 0.00 66.41 66.27 1ii9 h THR 28 Cb 0.20 0.94 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 1ii9 h THR 28 CO -0.23 0.41 0.16 0.00 0.37 0.00 0.00 175.52 176.22 1ii9 h ALA 29 N 1.09 0.71 0.21 6.16 0.00 0.34 -0.81 119.26 126.95 1ii9 h ALA 29 Ca 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1ii9 h ALA 29 Cb 0.58 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ii9 h ALA 29 CO 0.04 -0.27 -0.10 0.82 0.00 0.00 0.00 179.25 179.74 1ii9 h ILE 30 N 0.31 0.88 -0.82 0.00 2.04 -1.19 -1.67 117.51 117.05 1ii9 h ILE 30 Ca 0.30 -0.75 0.17 0.00 1.00 0.00 0.00 64.86 65.57 1ii9 h ILE 30 Cb 0.41 1.30 -0.15 0.00 -0.74 0.00 0.00 36.82 37.63 1ii9 h ILE 30 CO -0.35 0.16 -0.19 -0.09 0.00 0.00 0.00 178.15 177.68 1ii9 h ARG 31 N -0.67 0.00 -0.56 2.37 9.65 -0.97 0.31 114.38 124.51 1ii9 h ARG 31 Ca -0.03 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.79 1ii9 h ARG 31 Cb 0.48 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1ii9 h ARG 31 CO 0.05 0.00 0.12 -0.07 2.80 0.00 0.00 179.97 182.87 1ii9 h LEU 32 N 0.00 0.87 -0.71 3.80 3.38 -1.13 -2.98 115.31 118.54 1ii9 h LEU 32 Ca 0.40 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1ii9 h LEU 32 Cb 0.61 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1ii9 h LEU 32 CO -0.83 0.89 0.46 0.00 0.09 0.00 0.00 178.44 179.04 1ii9 h ALA 33 N 1.01 0.92 0.00 1.53 0.00 0.49 -1.76 119.26 121.46 1ii9 h ALA 33 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ii9 h ALA 33 Cb 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ii9 h ALA 33 CO 0.01 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.92 1ii9 n GLU 34 N -4.63 0.43 -0.09 0.00 1.02 0.15 -0.89 120.64 116.64 1ii9 n GLU 34 Ca 0.07 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1ii9 n GLU 34 Cb 0.05 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.20 1ii9 n GLU 34 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1ii9 n GLN 35 N -1.21 2.25 -1.07 3.49 6.02 -0.74 -4.93 117.38 121.20 1ii9 n GLN 35 Ca 0.12 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 1ii9 n GLN 35 Cb 0.15 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1ii9 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ii9 n GLY 36 N 1.37 0.68 3.90 1.08 0.00 -0.07 -5.07 105.19 107.08 1ii9 n GLY 36 Ca 0.17 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 1ii9 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ii9 s LYS 37 N -2.28 3.52 -0.22 1.61 -0.14 -0.76 -5.02 119.74 116.46 1ii9 s LYS 37 Ca 0.00 -0.22 -0.23 0.00 -1.36 0.00 0.00 55.97 54.17 1ii9 s LYS 37 Cb 0.00 -3.03 -0.02 0.00 -1.68 0.00 0.00 37.83 33.10 1ii9 s LYS 37 CO 0.00 0.61 0.73 1.03 -0.76 0.00 0.00 175.35 176.96 1ii9 s ARG 38 N -2.13 4.20 -0.08 1.68 0.52 -1.26 -4.18 118.95 117.70 1ii9 s ARG 38 Ca 0.32 0.78 0.03 0.00 -0.52 0.00 0.00 55.73 56.33 1ii9 s ARG 38 Cb -0.13 -3.61 0.01 0.00 0.52 0.00 0.00 34.95 31.74 1ii9 s ARG 38 CO 0.21 -0.38 -0.16 0.08 0.02 0.00 0.00 175.30 175.07 1ii9 s VAL 39 N 2.37 1.45 -0.25 3.52 1.01 0.41 -0.53 120.40 128.38 1ii9 s VAL 39 Ca 0.32 -0.66 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1ii9 s VAL 39 Cb -0.16 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1ii9 s VAL 39 CO 0.09 0.43 0.10 -0.22 0.00 0.00 0.00 175.10 175.50 1ii9 s LEU 40 N 0.57 3.68 -0.23 3.92 0.20 0.78 -0.43 118.68 127.18 1ii9 s LEU 40 Ca -0.16 -0.10 -0.10 0.00 0.69 0.00 0.00 54.13 54.47 1ii9 s LEU 40 Cb -0.17 -1.99 -0.05 0.00 -0.43 0.00 0.00 46.19 43.56 1ii9 s LEU 40 CO 0.05 0.00 0.14 -0.22 -0.29 0.00 0.00 176.35 176.03 1ii9 s LEU 41 N 1.42 4.03 -0.37 -0.68 2.96 1.00 -0.57 118.68 126.47 1ii9 s LEU 41 Ca 0.06 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1ii9 s LEU 41 Cb -0.15 -2.07 0.07 0.00 0.50 0.00 0.00 46.19 44.55 1ii9 s LEU 41 CO 0.05 0.08 0.14 -0.69 -1.32 0.00 0.00 176.35 174.61 1ii9 s VAL 42 N 0.97 3.45 -0.00 1.68 1.01 0.89 -0.09 120.40 128.30 1ii9 s VAL 42 Ca 0.07 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1ii9 s VAL 42 Cb -0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1ii9 s VAL 42 CO 0.04 -0.40 0.95 -0.55 0.00 0.00 0.00 175.10 175.14 1ii9 s SER 43 N 1.63 7.34 -0.03 3.32 0.15 0.77 -3.28 113.70 123.60 1ii9 s SER 43 Ca 0.02 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.33 1ii9 s SER 43 Cb -0.21 -2.55 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1ii9 s SER 43 CO -0.01 -0.23 0.93 0.35 1.20 0.00 0.00 173.24 175.48 1ii9 n THR 44 N 3.83 0.88 -2.71 6.45 -2.24 -1.26 -0.34 114.28 118.88 1ii9 n THR 44 Ca 0.05 -0.98 -0.39 0.00 -2.27 0.00 0.00 64.05 60.46 1ii9 n THR 44 Cb 0.51 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.10 1ii9 n THR 44 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ii9 s ASP 45 N -1.26 7.45 0.13 3.42 -0.00 -1.26 -4.44 116.67 120.71 1ii9 s ASP 45 Ca 0.08 1.96 -0.25 0.00 -0.00 0.00 0.00 52.55 54.34 1ii9 s ASP 45 Cb 0.07 -2.60 -0.06 0.00 -0.00 0.00 0.00 42.92 40.33 1ii9 s ASP 45 CO 0.01 0.01 1.37 -0.81 -0.00 0.00 0.00 175.17 175.75 1ii9 n PRO 46 N 1.06 -0.35 -3.18 8.23 -0.04 -1.26 -2.21 135.00 137.25 1ii9 n PRO 46 Ca -0.00 1.35 -0.30 0.00 -0.04 0.00 0.00 63.50 64.51 1ii9 n PRO 46 Cb 0.48 -1.99 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 1ii9 n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ii9 n ALA 47 N -3.24 4.54 -0.88 0.55 0.00 -1.26 -4.65 120.51 115.56 1ii9 n ALA 47 Ca 0.02 -4.75 -0.29 0.00 0.00 0.00 0.00 53.44 48.41 1ii9 n ALA 47 Cb 0.21 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1ii9 n ALA 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ii9 n SER 48 N 0.53 -1.35 0.00 0.00 2.88 -0.94 -4.92 113.62 109.82 1ii9 n SER 48 Ca 0.31 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 1ii9 n SER 48 Cb 0.38 -0.60 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 1ii9 n SER 48 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ii9 n ASN 49 N 1.42 0.70 -0.16 -3.46 6.94 -1.26 -4.80 115.26 114.64 1ii9 n ASN 49 Ca 0.10 -1.34 -0.07 0.00 -0.02 0.00 0.00 54.58 53.24 1ii9 n ASN 49 Cb 0.21 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.72 1ii9 n ASN 49 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1ii9 h VAL 50 N 1.86 1.26 -0.47 3.53 2.07 -1.96 -1.17 116.25 121.36 1ii9 h VAL 50 Ca 0.00 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1ii9 h VAL 50 Cb 0.80 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1ii9 h VAL 50 CO 0.00 0.40 0.24 1.23 0.02 0.00 0.00 177.57 179.46 1ii9 h GLY 51 N 0.99 0.72 0.85 2.17 0.00 -1.87 -2.30 103.07 103.63 1ii9 h GLY 51 Ca 0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ii9 h GLY 51 CO 0.03 0.33 -0.29 -1.61 0.00 0.00 0.00 176.54 175.00 1ii9 h GLN 52 N 0.62 -0.69 -0.41 4.80 4.15 -1.54 0.26 115.11 122.30 1ii9 h GLN 52 Ca 0.16 0.05 0.12 0.00 0.77 0.00 0.00 58.65 59.75 1ii9 h GLN 52 Cb 0.09 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1ii9 h GLN 52 CO -0.02 -0.46 0.44 -0.39 -1.93 0.00 0.00 178.83 176.47 1ii9 h VAL 53 N -0.72 0.38 -0.58 2.39 -1.51 -1.04 0.99 116.25 116.16 1ii9 h VAL 53 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1ii9 h VAL 53 Cb 0.59 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1ii9 h VAL 53 CO 0.04 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.87 1ii9 n PHE 54 N -3.72 0.77 -3.49 5.19 3.72 -0.59 -4.01 117.46 115.32 1ii9 n PHE 54 Ca 0.07 -0.43 -0.25 0.00 -0.05 0.00 0.00 57.45 56.80 1ii9 n PHE 54 Cb 0.62 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.21 1ii9 n PHE 54 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1ii9 n SER 55 N 1.42 -5.92 -3.29 4.37 7.64 0.34 -4.80 113.62 113.38 1ii9 n SER 55 Ca 0.21 -0.51 -0.11 0.00 1.01 0.00 0.00 58.87 59.47 1ii9 n SER 55 Cb 0.58 -4.71 -0.01 0.00 -1.01 0.00 0.00 64.21 59.06 1ii9 n SER 55 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ii9 s GLN 56 N -6.20 1.98 0.05 1.43 -2.07 0.36 -4.99 119.66 110.22 1ii9 s GLN 56 Ca 0.52 -1.47 -0.00 0.00 -1.82 0.00 0.00 55.36 52.59 1ii9 s GLN 56 Cb -0.24 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1ii9 s GLN 56 CO 0.64 -0.88 0.18 0.95 -1.32 0.00 0.00 175.29 174.86 1ii9 s THR 57 N -2.98 5.24 0.24 3.63 -4.23 -1.26 -3.55 115.64 112.72 1ii9 s THR 57 Ca 0.21 -0.41 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 1ii9 s THR 57 Cb -0.03 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.23 1ii9 s THR 57 CO 0.14 0.18 0.01 0.27 -0.54 0.00 0.00 174.62 174.68 1ii9 s ILE 58 N -1.45 0.99 0.13 2.99 -4.36 -1.26 -5.00 121.20 113.24 1ii9 s ILE 58 Ca 0.32 -2.02 -0.05 0.00 -0.26 0.00 0.00 60.65 58.64 1ii9 s ILE 58 Cb -0.13 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.18 1ii9 s ILE 58 CO 0.25 -0.26 0.25 0.61 0.24 0.00 0.00 174.94 176.04 1ii9 n GLY 59 N -0.45 1.68 0.90 6.27 0.00 -1.26 -4.93 105.19 107.41 1ii9 n GLY 59 Ca -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1ii9 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ii9 n ASN 60 N -1.18 1.15 -3.94 1.61 6.94 -1.25 -2.26 115.26 116.32 1ii9 n ASN 60 Ca -0.03 -0.88 -0.12 0.00 -0.02 0.00 0.00 54.58 53.53 1ii9 n ASN 60 Cb 0.19 -0.22 -0.13 0.00 -2.36 0.00 0.00 39.78 37.26 1ii9 n ASN 60 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1ii9 s THR 61 N 0.25 0.19 -0.09 5.53 2.01 -1.26 -4.94 115.64 117.33 1ii9 s THR 61 Ca 0.00 -0.40 -0.30 0.00 0.31 0.00 0.00 61.69 61.31 1ii9 s THR 61 Cb 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1ii9 s THR 61 CO 0.00 -0.14 1.60 -0.63 -0.69 0.00 0.00 174.62 174.76 1ii9 s ILE 62 N -0.54 3.69 0.11 1.82 1.01 -1.26 -4.64 121.20 121.39 1ii9 s ILE 62 Ca -0.04 0.83 0.08 0.00 0.00 0.00 0.00 60.65 61.52 1ii9 s ILE 62 Cb -0.04 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1ii9 s ILE 62 CO -0.00 -0.09 -0.20 -1.10 0.00 0.00 0.00 174.94 173.54 1ii9 s GLN 63 N 4.03 1.12 0.40 2.79 -0.21 -0.77 -4.96 119.66 122.05 1ii9 s GLN 63 Ca 0.71 -1.18 -0.23 0.00 0.02 0.00 0.00 55.36 54.68 1ii9 s GLN 63 Cb -0.31 -1.34 -0.10 0.00 1.00 0.00 0.00 33.01 32.27 1ii9 s GLN 63 CO 0.27 0.31 0.98 0.00 -2.12 0.00 0.00 175.29 174.73 1ii9 s ALA 64 N -1.29 3.08 -0.90 6.09 0.00 -1.26 -0.40 121.76 127.08 1ii9 s ALA 64 Ca 0.07 0.52 -0.12 0.00 0.00 0.00 0.00 51.96 52.44 1ii9 s ALA 64 Cb -0.09 -3.20 0.23 0.00 0.00 0.00 0.00 23.12 20.06 1ii9 s ALA 64 CO 0.04 0.02 0.85 0.42 0.00 0.00 0.00 175.76 177.10 1ii9 s ILE 65 N -1.87 5.59 0.57 0.00 1.01 -0.86 -4.83 121.20 120.81 1ii9 s ILE 65 Ca 0.58 -2.82 0.43 0.00 0.00 0.00 0.00 60.65 58.84 1ii9 s ILE 65 Cb -0.15 -4.43 0.63 0.00 0.01 0.00 0.00 42.46 38.52 1ii9 s ILE 65 CO 0.20 -1.07 1.57 0.00 0.00 0.00 0.00 174.94 175.65 1ii9 h ALA 66 N 7.36 3.52 0.00 9.38 0.00 -1.94 0.20 119.26 137.78 1ii9 h ALA 66 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ii9 h ALA 66 Cb 0.98 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ii9 h ALA 66 CO 0.83 -2.08 0.00 -1.13 0.00 0.00 0.00 179.25 176.86 1ii9 n SER 67 N -3.83 0.00 -3.15 0.00 3.41 -1.26 -4.48 113.62 104.30 1ii9 n SER 67 Ca 0.36 -0.89 0.04 0.00 -0.26 0.00 0.00 58.87 58.11 1ii9 n SER 67 Cb 1.75 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 65.69 1ii9 n SER 67 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ii9 s VAL 68 N -2.00 -0.92 0.62 -3.33 0.11 0.69 -5.05 120.40 110.53 1ii9 s VAL 68 Ca 0.43 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.29 1ii9 s VAL 68 Cb 0.20 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1ii9 s VAL 68 CO 0.33 0.00 1.31 -0.81 -3.33 0.00 0.00 175.10 172.60 1ii9 n PRO 69 N 5.19 1.26 0.00 1.54 -0.04 -1.26 -2.78 135.00 138.91 1ii9 n PRO 69 Ca 0.06 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 1ii9 n PRO 69 Cb 0.55 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1ii9 n PRO 69 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ii9 n GLY 70 N 0.89 2.35 3.59 0.55 0.00 -1.26 -4.72 105.19 106.59 1ii9 n GLY 70 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1ii9 n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ii9 s LEU 71 N 0.00 3.13 0.05 0.99 2.96 -1.12 -0.45 118.68 124.25 1ii9 s LEU 71 Ca 0.00 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1ii9 s LEU 71 Cb 0.00 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1ii9 s LEU 71 CO 0.00 0.26 0.01 -0.44 -1.32 0.00 0.00 176.35 174.86 1ii9 s SER 72 N -1.56 0.38 0.25 3.68 0.01 0.43 -2.02 113.70 114.87 1ii9 s SER 72 Ca 0.18 -0.85 0.04 0.00 1.31 0.00 0.00 55.95 56.63 1ii9 s SER 72 Cb -0.11 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.27 1ii9 s SER 72 CO 0.09 -0.57 -0.02 0.00 0.41 0.00 0.00 173.24 173.15 1ii9 s ALA 73 N -3.47 1.96 -0.18 1.44 0.00 0.46 -0.00 121.76 121.97 1ii9 s ALA 73 Ca 0.03 -1.81 -0.13 0.00 0.00 0.00 0.00 51.96 50.05 1ii9 s ALA 73 Cb 0.04 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.63 1ii9 s ALA 73 CO -0.08 -0.21 0.45 -1.17 0.00 0.00 0.00 175.76 174.75 1ii9 s LEU 74 N -3.35 0.00 -0.16 0.00 2.96 0.87 -1.85 118.68 117.16 1ii9 s LEU 74 Ca 0.29 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1ii9 s LEU 74 Cb 0.05 1.51 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 1ii9 s LEU 74 CO 0.10 -0.18 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.21 1ii9 s GLU 75 N 0.91 3.66 -0.41 1.98 2.12 -0.96 -0.16 118.70 125.83 1ii9 s GLU 75 Ca -0.05 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.74 1ii9 s GLU 75 Cb -0.06 -2.92 0.11 0.00 0.26 0.00 0.00 34.13 31.53 1ii9 s GLU 75 CO -0.07 0.22 0.18 0.42 -0.54 0.00 0.00 175.26 175.47 1ii9 s ILE 76 N 0.41 3.01 -0.06 -3.70 1.01 0.53 -3.82 121.20 118.59 1ii9 s ILE 76 Ca -0.04 -2.26 -0.30 0.00 0.00 0.00 0.00 60.65 58.05 1ii9 s ILE 76 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1ii9 s ILE 76 CO 0.03 -0.69 1.44 -0.62 0.00 0.00 0.00 174.94 175.11 1ii9 s ASP 77 N 1.39 6.82 0.10 3.58 -1.08 -1.26 -4.31 116.67 121.91 1ii9 s ASP 77 Ca 0.10 2.04 -0.13 0.00 -0.52 0.00 0.00 52.55 54.05 1ii9 s ASP 77 Cb -0.22 -2.55 -0.15 0.00 -1.46 0.00 0.00 42.92 38.54 1ii9 s ASP 77 CO -0.05 -0.79 1.31 1.55 0.52 0.00 0.00 175.17 177.70 1ii9 h PRO 78 N 8.45 0.81 0.03 4.34 0.13 -1.81 -1.62 132.00 142.33 1ii9 h PRO 78 Ca -0.35 -0.65 -0.00 0.00 -0.87 0.00 0.00 66.00 64.12 1ii9 h PRO 78 Cb 1.16 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ii9 h PRO 78 CO 0.94 1.26 -0.01 1.96 -0.23 0.00 0.00 178.00 181.91 1ii9 h GLN 79 N 0.55 -0.04 -0.49 0.86 4.20 -1.91 0.12 115.11 118.40 1ii9 h GLN 79 Ca -0.05 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ii9 h GLN 79 Cb 1.40 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.16 1ii9 h GLN 79 CO 0.16 0.16 0.32 0.00 -0.67 0.00 0.00 178.83 178.80 1ii9 h ALA 80 N 0.73 0.63 -0.91 3.87 0.00 -1.94 -0.30 119.26 121.35 1ii9 h ALA 80 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ii9 h ALA 80 Cb 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1ii9 h ALA 80 CO 0.01 0.04 0.49 0.00 0.00 0.00 0.00 179.25 179.79 1ii9 h ALA 81 N 1.20 1.16 -0.26 0.00 0.00 -1.10 -1.67 119.26 118.59 1ii9 h ALA 81 Ca 0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ii9 h ALA 81 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1ii9 h ALA 81 CO -0.06 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.90 1ii9 h ALA 82 N 1.27 0.35 -0.46 0.00 0.00 -0.33 -1.08 119.26 119.02 1ii9 h ALA 82 Ca 0.32 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.13 1ii9 h ALA 82 Cb 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 1ii9 h ALA 82 CO -0.05 0.04 -0.12 1.96 0.00 0.00 0.00 179.25 181.08 1ii9 h GLN 83 N 0.25 -0.01 0.00 0.00 4.20 -0.62 -0.47 115.11 118.45 1ii9 h GLN 83 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1ii9 h GLN 83 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1ii9 h GLN 83 CO 0.01 -0.01 0.00 1.96 -0.67 0.00 0.00 178.83 180.12 1ii9 h GLN 84 N -0.01 0.00 0.01 1.46 4.20 -1.21 -1.49 115.11 118.08 1ii9 h GLN 84 Ca 0.22 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.72 1ii9 h GLN 84 Cb 0.34 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.14 1ii9 h GLN 84 CO -0.48 0.00 -0.83 -0.92 -0.67 0.00 0.00 178.83 175.94 1ii9 h TYR 85 N 0.00 0.81 -0.18 2.96 3.20 -0.02 -1.78 116.97 121.96 1ii9 h TYR 85 Ca 0.00 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.40 1ii9 h TYR 85 Cb 0.71 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 1ii9 h TYR 85 CO 0.00 1.28 0.02 -0.09 -1.64 0.00 0.00 178.16 177.74 1ii9 h ARG 86 N 0.12 0.30 -0.48 1.82 2.43 -1.03 -2.78 114.38 114.75 1ii9 h ARG 86 Ca -0.11 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1ii9 h ARG 86 Cb 1.52 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.01 1ii9 h ARG 86 CO 0.16 0.47 0.24 0.00 -1.51 0.00 0.00 179.97 179.34 1ii9 h ALA 87 N 0.82 1.53 0.00 2.80 0.00 -1.31 0.42 119.26 123.51 1ii9 h ALA 87 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ii9 h ALA 87 Cb 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ii9 h ALA 87 CO 0.00 0.38 -0.07 -0.09 0.00 0.00 0.00 179.25 179.48 1ii9 h ARG 88 N 0.67 0.00 0.00 0.00 2.43 -1.04 -0.67 114.38 115.76 1ii9 h ARG 88 Ca 0.17 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.06 1ii9 h ARG 88 Cb 0.05 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1ii9 h ARG 88 CO -0.03 0.07 -1.59 -0.89 -1.51 0.00 0.00 179.97 176.02 1ii9 n ILE 89 N -3.56 1.52 -0.07 1.20 5.41 -0.23 -4.65 119.36 118.98 1ii9 n ILE 89 Ca -0.02 -0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.48 1ii9 n ILE 89 Cb 0.19 -2.03 -0.06 0.00 -0.71 0.00 0.00 39.64 37.03 1ii9 n ILE 89 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1ii9 h VAL 90 N -1.00 1.32 -0.89 1.39 2.07 -0.98 -3.34 116.25 114.82 1ii9 h VAL 90 Ca -0.42 -1.48 0.23 0.00 0.82 0.00 0.00 66.70 65.86 1ii9 h VAL 90 Cb 1.33 1.75 -0.13 0.00 -1.52 0.00 0.00 31.29 32.72 1ii9 h VAL 90 CO -0.26 0.46 0.35 0.44 0.02 0.00 0.00 177.57 178.58 1ii9 h ASP 91 N 0.28 0.22 0.04 0.57 5.19 -1.33 -1.66 116.42 119.72 1ii9 h ASP 91 Ca 0.03 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 1ii9 h ASP 91 Cb 0.86 0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.55 1ii9 h ASP 91 CO 0.07 -0.07 -0.03 -0.65 -3.12 0.00 0.00 179.24 175.43 1ii9 h PRO 92 N 0.32 0.00 -0.00 3.56 0.11 -1.79 -2.76 132.00 131.44 1ii9 h PRO 92 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 1ii9 h PRO 92 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ii9 h PRO 92 CO -0.58 0.03 -0.76 0.44 -0.21 0.00 0.00 178.00 176.92 1ii9 n ILE 93 N -4.37 0.00 -1.68 4.15 -5.35 -0.71 -4.85 119.36 106.56 1ii9 n ILE 93 Ca -0.03 -0.12 -0.47 0.00 -0.27 0.00 0.00 62.75 61.86 1ii9 n ILE 93 Cb 0.12 1.05 -0.04 0.00 -1.74 0.00 0.00 39.64 39.02 1ii9 n ILE 93 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1ii9 n LYS 94 N -1.15 2.26 -0.43 6.28 4.81 -0.71 -0.82 118.16 128.41 1ii9 n LYS 94 Ca 0.04 0.83 0.00 0.00 -0.87 0.00 0.00 58.31 58.31 1ii9 n LYS 94 Cb 0.31 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.69 1ii9 n LYS 94 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ii9 n GLY 95 N 4.20 0.72 0.00 3.14 0.00 -1.26 -4.81 105.19 107.18 1ii9 n GLY 95 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 1ii9 n GLY 95 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ii9 n VAL 96 N -2.02 0.04 -4.04 1.61 0.31 0.00 -5.04 118.33 109.19 1ii9 n VAL 96 Ca 0.00 -0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.08 1ii9 n VAL 96 Cb 0.00 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.90 1ii9 n VAL 96 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ii9 s LEU 97 N -4.07 3.38 0.92 7.52 1.43 -0.91 -5.11 118.68 121.84 1ii9 s LEU 97 Ca -0.00 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.33 1ii9 s LEU 97 Cb 0.00 -1.90 0.14 0.00 0.03 0.00 0.00 46.19 44.46 1ii9 s LEU 97 CO 0.02 -0.27 1.09 -2.84 0.23 0.00 0.00 176.35 174.58 1ii9 s PRO 98 N -3.87 1.08 0.17 1.29 0.02 -1.26 -4.84 135.00 127.59 1ii9 s PRO 98 Ca 0.38 1.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.31 1ii9 s PRO 98 Cb -0.04 -1.77 0.06 0.00 0.02 0.00 0.00 34.50 32.76 1ii9 s PRO 98 CO 0.24 -2.42 1.65 -0.44 -0.33 0.00 0.00 177.00 175.69 1ii9 h ASP 99 N -1.69 0.96 0.45 2.53 5.19 -1.99 -2.29 116.42 119.58 1ii9 h ASP 99 Ca -0.49 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 55.61 1ii9 h ASP 99 Cb 1.28 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ii9 h ASP 99 CO 0.51 1.00 -0.16 -2.24 -3.12 0.00 0.00 179.24 175.23 1ii9 h ASP 100 N 0.89 0.00 0.04 6.45 2.03 -1.98 0.89 116.42 124.73 1ii9 h ASP 100 Ca 0.17 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.47 1ii9 h ASP 100 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1ii9 h ASP 100 CO 0.02 0.16 -0.02 0.58 -1.03 0.00 0.00 179.24 178.95 1ii9 h VAL 101 N 0.00 1.15 -0.20 4.15 2.07 -1.87 -1.76 116.25 119.78 1ii9 h VAL 101 Ca -0.00 -1.69 0.06 0.00 0.82 0.00 0.00 66.70 65.89 1ii9 h VAL 101 Cb 0.43 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1ii9 h VAL 101 CO 0.02 0.36 0.16 0.58 0.02 0.00 0.00 177.57 178.71 1ii9 h VAL 102 N -0.94 0.82 -0.09 2.57 2.07 -1.31 0.62 116.25 120.00 1ii9 h VAL 102 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1ii9 h VAL 102 Cb 0.64 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1ii9 h VAL 102 CO 0.01 0.00 -0.08 -1.28 0.02 0.00 0.00 177.57 176.24 1ii9 h SER 103 N 0.00 0.22 -0.03 0.57 0.87 -0.81 -1.54 113.55 112.82 1ii9 h SER 103 Ca 0.10 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ii9 h SER 103 Cb 0.41 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1ii9 h SER 103 CO -0.00 0.64 0.00 0.28 -0.53 0.00 0.00 176.83 177.23 1ii9 h SER 104 N -0.21 0.05 -1.00 6.23 0.02 -0.29 -2.54 113.55 115.81 1ii9 h SER 104 Ca 0.01 -0.27 0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1ii9 h SER 104 Cb 0.58 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.03 1ii9 h SER 104 CO 0.02 0.31 0.64 0.40 -1.14 0.00 0.00 176.83 177.05 1ii9 h ILE 105 N -0.20 0.97 -0.80 3.27 2.04 -0.99 -0.21 117.51 121.58 1ii9 h ILE 105 Ca 0.01 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1ii9 h ILE 105 Cb 0.28 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.15 1ii9 h ILE 105 CO 0.00 0.19 0.41 -1.13 0.00 0.00 0.00 178.15 177.62 1ii9 h ASN 106 N 1.05 1.01 -0.20 1.72 -0.73 -1.04 -1.80 115.58 115.59 1ii9 h ASN 106 Ca 0.48 -0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.46 1ii9 h ASN 106 Cb 0.40 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.71 1ii9 h ASN 106 CO -0.24 0.84 -0.15 -0.08 -0.37 0.00 0.00 177.43 177.43 1ii9 h GLU 107 N 1.12 0.60 0.00 6.67 4.57 -0.68 -1.71 114.58 125.16 1ii9 h GLU 107 Ca 0.28 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1ii9 h GLU 107 Cb 0.07 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1ii9 h GLU 107 CO -0.04 0.73 0.00 1.04 -1.18 0.00 0.00 179.01 179.56 1ii9 n GLN 108 N -4.17 0.00 -0.68 1.92 6.02 -0.37 -1.96 117.38 118.13 1ii9 n GLN 108 Ca 0.01 0.39 0.06 0.00 -0.01 0.00 0.00 57.00 57.44 1ii9 n GLN 108 Cb 0.36 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.31 1ii9 n GLN 108 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ii9 n LEU 109 N -1.50 2.59 -0.11 1.08 4.77 -0.65 -4.66 117.00 118.52 1ii9 n LEU 109 Ca 0.02 -3.76 0.07 0.00 -0.03 0.00 0.00 56.01 52.30 1ii9 n LEU 109 Cb 0.07 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1ii9 n LEU 109 CO 0.06 1.34 0.51 -1.20 -1.33 0.00 0.00 177.39 176.77 1ii9 n SER 110 N -0.99 1.93 -4.92 -1.43 7.64 -0.83 -4.81 113.62 110.20 1ii9 n SER 110 Ca 0.18 -2.73 -0.20 0.00 1.01 0.00 0.00 58.87 57.13 1ii9 n SER 110 Cb 0.73 -0.32 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 1ii9 n SER 110 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ii9 s GLY 111 N -2.28 2.08 0.28 0.23 0.00 -1.26 -4.93 107.32 101.44 1ii9 s GLY 111 Ca 0.22 -1.81 0.01 0.00 0.00 0.00 0.00 44.72 43.14 1ii9 s GLY 111 CO 0.02 -1.66 1.71 0.00 0.00 0.00 0.00 173.10 173.17 1ii9 h ALA 112 N 0.85 1.31 -0.78 3.20 0.00 -1.99 -1.74 119.26 120.09 1ii9 h ALA 112 Ca -0.40 0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1ii9 h ALA 112 Cb 1.27 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1ii9 h ALA 112 CO 0.53 -0.28 0.45 0.00 0.00 0.00 0.00 179.25 179.95 1ii9 h THR 114 N 0.79 1.26 -0.65 0.00 2.02 -1.65 0.23 112.91 114.91 1ii9 h THR 114 Ca 0.36 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1ii9 h THR 114 Cb 0.28 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1ii9 h THR 114 CO -0.22 0.35 0.29 0.74 0.37 0.00 0.00 175.52 177.05 1ii9 h THR 115 N 1.12 1.23 -0.21 3.16 2.02 -1.07 -0.05 112.91 119.10 1ii9 h THR 115 Ca 0.25 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1ii9 h THR 115 Cb 0.29 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1ii9 h THR 115 CO -0.01 0.28 0.06 -0.33 0.37 0.00 0.00 175.52 175.89 1ii9 h GLU 116 N 0.91 0.33 -0.16 6.66 4.39 -0.35 -0.58 114.58 125.78 1ii9 h GLU 116 Ca 0.22 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.86 1ii9 h GLU 116 Cb 0.16 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ii9 h GLU 116 CO -0.02 0.43 0.05 0.82 -1.16 0.00 0.00 179.01 179.13 1ii9 h ILE 117 N 0.17 0.96 -0.50 3.13 1.08 -0.76 -0.62 117.51 120.97 1ii9 h ILE 117 Ca 0.07 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1ii9 h ILE 117 Cb 0.24 0.82 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 1ii9 h ILE 117 CO -0.00 0.02 0.23 0.00 -0.69 0.00 0.00 178.15 177.71 1ii9 h ALA 118 N 1.10 1.46 -0.54 1.87 0.00 -0.91 -0.71 119.26 121.53 1ii9 h ALA 118 Ca 0.07 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1ii9 h ALA 118 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ii9 h ALA 118 CO -0.07 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 1ii9 h ALA 119 N 1.55 0.73 -0.29 0.00 0.00 -0.66 -2.16 119.26 118.44 1ii9 h ALA 119 Ca 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ii9 h ALA 119 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ii9 h ALA 119 CO -0.02 0.61 0.15 0.35 0.00 0.00 0.00 179.25 180.34 1ii9 h PHE 120 N 0.87 0.38 -0.59 0.00 3.04 0.06 0.52 116.94 121.21 1ii9 h PHE 120 Ca 0.14 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 1ii9 h PHE 120 Cb 0.62 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.98 1ii9 h PHE 120 CO 0.04 0.27 0.16 0.22 -2.02 0.00 0.00 178.31 176.98 1ii9 h ASP 121 N 0.40 0.85 -0.05 0.41 1.82 -0.53 -0.33 116.42 118.98 1ii9 h ASP 121 Ca 0.10 -0.15 -0.06 0.00 -0.39 0.00 0.00 57.03 56.53 1ii9 h ASP 121 Cb 0.02 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1ii9 h ASP 121 CO -0.02 0.82 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.92 1ii9 h GLU 122 N 0.88 0.21 -0.49 0.28 4.39 -0.81 -2.53 114.58 116.52 1ii9 h GLU 122 Ca 0.19 -0.17 0.10 0.00 0.34 0.00 0.00 59.36 59.82 1ii9 h GLU 122 Cb 0.30 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.89 1ii9 h GLU 122 CO -0.00 0.80 -0.12 0.74 -1.16 0.00 0.00 179.01 179.27 1ii9 h PHE 123 N -0.33 -0.25 -0.81 4.33 0.04 -0.71 -0.37 116.94 118.84 1ii9 h PHE 123 Ca -0.01 0.04 0.09 0.00 2.80 0.00 0.00 57.97 60.89 1ii9 h PHE 123 Cb 0.83 0.19 -0.07 0.00 2.20 0.00 0.00 35.95 39.10 1ii9 h PHE 123 CO 0.14 -0.21 0.46 1.15 -0.60 0.00 0.00 178.31 179.25 1ii9 h THR 124 N 0.00 0.92 0.08 -1.55 2.02 -1.08 0.31 112.91 113.62 1ii9 h THR 124 Ca 0.23 -0.27 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ii9 h THR 124 Cb 0.36 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1ii9 h THR 124 CO -0.50 0.14 -0.16 1.23 0.37 0.00 0.00 175.52 176.60 1ii9 h GLY 125 N 0.79 -0.28 0.97 2.16 0.00 -0.65 0.19 103.07 106.25 1ii9 h GLY 125 Ca 0.38 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1ii9 h GLY 125 CO -0.23 -0.16 -0.30 1.41 0.00 0.00 0.00 176.54 177.26 1ii9 h LEU 126 N -0.31 -0.70 -1.75 3.11 -0.00 -0.23 -2.99 115.31 112.43 1ii9 h LEU 126 Ca 0.03 0.01 0.17 0.00 -0.00 0.00 0.00 57.88 58.09 1ii9 h LEU 126 Cb 0.34 0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.13 1ii9 h LEU 126 CO -0.10 -0.47 0.50 -0.07 -0.00 0.00 0.00 178.44 178.30 1ii9 h LEU 127 N -0.87 0.23 -3.03 1.67 3.38 -0.32 -1.59 115.31 114.78 1ii9 h LEU 127 Ca -0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1ii9 h LEU 127 Cb 0.65 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1ii9 h LEU 127 CO 0.14 0.11 0.07 0.35 0.09 0.00 0.00 178.44 179.20 1ii9 n THR 128 N -4.43 2.19 -3.78 0.22 -2.24 0.05 -4.74 114.28 101.55 1ii9 n THR 128 Ca 0.14 -1.12 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 1ii9 n THR 128 Cb 0.64 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 1ii9 n THR 128 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ii9 s ASP 129 N -0.61 5.08 0.22 3.42 2.15 -0.60 -4.97 116.67 121.35 1ii9 s ASP 129 Ca 0.42 -2.66 -0.08 0.00 0.43 0.00 0.00 52.55 50.66 1ii9 s ASP 129 Cb 0.32 -1.81 0.31 0.00 -0.30 0.00 0.00 42.92 41.45 1ii9 s ASP 129 CO 0.12 -0.39 1.75 0.00 -0.17 0.00 0.00 175.17 176.48 1ii9 h ALA 130 N 7.21 0.87 -1.00 3.66 0.00 -1.86 -2.48 119.26 125.66 1ii9 h ALA 130 Ca -0.05 0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.26 1ii9 h ALA 130 Cb 0.97 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1ii9 h ALA 130 CO 0.70 -0.15 0.56 0.66 0.00 0.00 0.00 179.25 181.02 1ii9 h SER 131 N 0.48 0.49 -0.66 0.00 4.64 -1.98 0.34 113.55 116.87 1ii9 h SER 131 Ca 0.33 0.20 0.10 0.00 -0.47 0.00 0.00 61.79 61.95 1ii9 h SER 131 Cb 0.40 0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 62.56 1ii9 h SER 131 CO -0.30 -0.15 0.26 -0.07 -0.87 0.00 0.00 176.83 175.70 1ii9 h LEU 132 N 0.30 0.27 0.00 5.97 4.07 -1.83 1.06 115.31 125.17 1ii9 h LEU 132 Ca 0.74 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.78 1ii9 h LEU 132 Cb 1.69 0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.48 1ii9 h LEU 132 CO -0.62 0.15 0.00 0.18 -1.08 0.00 0.00 178.44 177.07 1ii9 n LEU 133 N -4.98 0.00 -0.02 1.67 4.77 0.12 -0.00 117.00 118.57 1ii9 n LEU 133 Ca 0.10 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 56.06 1ii9 n LEU 133 Cb 0.30 -0.05 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1ii9 n LEU 133 CO 0.22 -0.03 -0.52 0.41 -1.33 0.00 0.00 177.39 176.14 1ii9 n THR 134 N -1.05 1.50 0.50 -5.08 -1.04 0.36 -4.21 114.28 105.27 1ii9 n THR 134 Ca 0.08 -0.78 0.10 0.00 -2.04 0.00 0.00 64.05 61.41 1ii9 n THR 134 Cb 0.05 -0.94 -0.14 0.00 -1.82 0.00 0.00 70.33 67.48 1ii9 n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1ii9 n ARG 135 N -2.99 0.42 -3.98 -2.82 5.12 1.00 -4.99 116.66 108.42 1ii9 n ARG 135 Ca -0.16 -0.09 -0.09 0.00 -1.93 0.00 0.00 57.85 55.57 1ii9 n ARG 135 Cb 1.01 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.72 1ii9 n ARG 135 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1ii9 s PHE 136 N -3.20 0.26 -0.14 -1.55 0.40 0.54 -4.86 117.98 109.43 1ii9 s PHE 136 Ca 0.00 -0.55 0.18 0.00 -0.60 0.00 0.00 56.93 55.97 1ii9 s PHE 136 Cb 0.15 -0.19 -0.15 0.00 0.51 0.00 0.00 43.02 43.33 1ii9 s PHE 136 CO 0.86 -0.25 0.75 -0.25 0.70 0.00 0.00 175.22 177.04 1ii9 n ASP 137 N 1.30 0.70 -3.77 1.36 9.92 0.31 -4.34 116.55 122.02 1ii9 n ASP 137 Ca -0.22 0.30 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 1ii9 n ASP 137 Cb 0.56 0.46 -0.12 0.00 -0.64 0.00 0.00 41.12 41.38 1ii9 n ASP 137 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1ii9 s HIS 138 N -3.01 -0.29 -0.20 1.24 3.76 -0.91 -4.11 115.29 111.77 1ii9 s HIS 138 Ca -0.04 0.71 0.01 0.00 -0.15 0.00 0.00 55.06 55.59 1ii9 s HIS 138 Cb 0.09 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.91 1ii9 s HIS 138 CO 0.82 -0.15 -0.11 0.42 -0.85 0.00 0.00 174.74 174.87 1ii9 s ILE 139 N 0.33 1.67 -0.14 0.60 1.01 0.12 -0.15 121.20 124.64 1ii9 s ILE 139 Ca -0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.60 1ii9 s ILE 139 Cb -0.03 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.68 1ii9 s ILE 139 CO -0.01 0.19 -0.07 -0.63 0.00 0.00 0.00 174.94 174.42 1ii9 s ILE 140 N 1.39 3.59 -0.09 2.92 1.01 0.26 -1.97 121.20 128.30 1ii9 s ILE 140 Ca -0.01 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1ii9 s ILE 140 Cb -0.16 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1ii9 s ILE 140 CO -0.08 0.51 -0.12 -0.36 0.00 0.00 0.00 174.94 174.89 1ii9 s PHE 141 N 0.32 2.82 -1.81 3.97 0.08 -0.28 -0.08 117.98 123.00 1ii9 s PHE 141 Ca -0.06 -0.33 0.07 0.00 0.12 0.00 0.00 56.93 56.73 1ii9 s PHE 141 Cb -0.15 -1.76 0.23 0.00 -0.57 0.00 0.00 43.02 40.78 1ii9 s PHE 141 CO 0.04 0.03 1.15 -0.40 -0.10 0.00 0.00 175.22 175.94 1ii9 n ASP 142 N 2.90 1.55 -4.06 1.36 5.75 -1.20 -1.91 116.55 120.94 1ii9 n ASP 142 Ca -0.18 -2.05 -0.10 0.00 -0.01 0.00 0.00 54.79 52.45 1ii9 n ASP 142 Cb 0.53 -0.23 -0.07 0.00 -1.03 0.00 0.00 41.12 40.32 1ii9 n ASP 142 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ii9 s THR 143 N -1.65 0.00 0.01 2.12 -4.23 -1.14 -4.41 115.64 106.34 1ii9 s THR 143 Ca 0.17 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.07 1ii9 s THR 143 Cb 0.10 -2.27 -0.01 0.00 1.34 0.00 0.00 72.50 71.65 1ii9 s THR 143 CO 0.11 -0.02 0.03 0.00 -0.54 0.00 0.00 174.62 174.19 1ii9 s ALA 144 N -4.06 -0.04 0.67 3.99 0.00 -1.17 -4.14 121.76 117.01 1ii9 s ALA 144 Ca 0.27 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.70 1ii9 s ALA 144 Cb 0.02 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.26 1ii9 s ALA 144 CO 0.09 -0.16 1.12 -1.25 0.00 0.00 0.00 175.76 175.56 1ii9 s PRO 145 N -1.28 2.70 0.51 0.00 0.04 -1.26 -5.01 135.00 130.70 1ii9 s PRO 145 Ca -0.14 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1ii9 s PRO 145 Cb -0.08 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1ii9 s PRO 145 CO -0.00 -1.34 0.81 0.95 0.04 0.00 0.00 177.00 177.47 1ii9 s THR 146 N -2.31 4.39 0.24 1.26 -4.23 -1.26 -4.96 115.64 108.77 1ii9 s THR 146 Ca 0.68 0.06 -0.06 0.00 -1.18 0.00 0.00 61.69 61.19 1ii9 s THR 146 Cb -0.21 -3.69 0.21 0.00 1.34 0.00 0.00 72.50 70.15 1ii9 s THR 146 CO 0.42 -0.67 1.85 1.23 -0.54 0.00 0.00 174.62 176.91 1ii9 h GLY 147 N 0.11 1.27 0.39 3.99 0.00 -1.93 -2.15 103.07 104.74 1ii9 h GLY 147 Ca -0.46 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.51 1ii9 h GLY 147 CO 0.61 0.25 -0.38 0.84 0.00 0.00 0.00 176.54 177.86 1ii9 h HIS 148 N 0.95 -1.05 -0.79 5.60 -0.00 -1.94 0.28 115.15 118.20 1ii9 h HIS 148 Ca 0.37 0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.87 1ii9 h HIS 148 Cb 0.17 0.44 -0.06 0.00 -0.00 0.00 0.00 27.41 27.96 1ii9 h HIS 148 CO -0.04 -0.49 0.52 1.15 -0.00 0.00 0.00 177.93 179.07 1ii9 h THR 149 N -0.65 0.90 -0.12 6.26 2.02 -1.86 -1.17 112.91 118.29 1ii9 h THR 149 Ca 0.01 -0.23 -0.16 0.00 0.77 0.00 0.00 66.41 66.81 1ii9 h THR 149 Cb 0.65 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1ii9 h THR 149 CO -0.19 0.12 -0.56 0.40 0.37 0.00 0.00 175.52 175.66 1ii9 h ILE 150 N 0.66 1.34 0.10 3.11 2.04 -0.73 -2.94 117.51 121.09 1ii9 h ILE 150 Ca 0.37 -1.84 0.01 0.00 1.00 0.00 0.00 64.86 64.40 1ii9 h ILE 150 Cb 0.56 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.73 1ii9 h ILE 150 CO -0.14 0.56 -0.17 0.03 0.00 0.00 0.00 178.15 178.43 1ii9 h ARG 151 N 0.24 -0.32 -0.58 2.37 3.08 0.34 -2.53 114.38 116.98 1ii9 h ARG 151 Ca -0.03 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.15 1ii9 h ARG 151 Cb 1.20 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 31.21 1ii9 h ARG 151 CO 0.12 -0.21 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.57 1ii9 h LEU 152 N -0.33 -0.59 0.00 3.04 3.38 -1.28 0.43 115.31 119.96 1ii9 h LEU 152 Ca 0.02 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ii9 h LEU 152 Cb 0.35 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ii9 h LEU 152 CO -0.09 -0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.41 1ii9 n LEU 153 N -5.41 0.00 -0.60 1.67 4.77 -1.11 -2.79 117.00 113.53 1ii9 n LEU 153 Ca 0.06 0.30 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1ii9 n LEU 153 Cb 0.31 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1ii9 n LEU 153 CO 0.06 -0.07 0.47 0.00 -1.33 0.00 0.00 177.39 176.52 1ii9 n GLN 154 N -1.30 1.31 -2.70 3.23 10.64 0.09 -4.83 117.38 123.83 1ii9 n GLN 154 Ca 0.10 -1.37 -0.42 0.00 -1.83 0.00 0.00 57.00 53.49 1ii9 n GLN 154 Cb 0.18 -1.30 -0.04 0.00 -0.86 0.00 0.00 30.24 28.23 1ii9 n GLN 154 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 1ii9 s LEU 155 N -1.43 4.42 0.25 2.61 1.43 -0.89 -4.93 118.68 120.14 1ii9 s LEU 155 Ca 0.18 1.74 -0.05 0.00 -1.03 0.00 0.00 54.13 54.97 1ii9 s LEU 155 Cb 0.13 -3.58 0.30 0.00 0.03 0.00 0.00 46.19 43.07 1ii9 s LEU 155 CO 0.23 -0.20 1.90 -0.65 0.23 0.00 0.00 176.35 177.86 1ii9 h PRO 156 N 6.29 1.21 -0.23 1.29 0.11 -1.91 -1.73 132.00 137.03 1ii9 h PRO 156 Ca -0.42 -0.07 0.07 0.00 0.11 0.00 0.00 66.00 65.69 1ii9 h PRO 156 Cb 1.22 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1ii9 h PRO 156 CO 0.74 0.80 0.21 0.78 -0.21 0.00 0.00 178.00 180.32 1ii9 h GLY 157 N 1.25 0.00 2.00 -0.55 0.00 -1.92 -1.21 103.07 102.64 1ii9 h GLY 157 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1ii9 h GLY 157 CO -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.33 1ii9 h ALA 158 N 1.80 1.31 0.00 3.60 0.00 -1.58 -1.07 119.26 123.33 1ii9 h ALA 158 Ca 0.11 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.59 1ii9 h ALA 158 Cb 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1ii9 h ALA 158 CO -0.00 0.13 -2.33 0.91 0.00 0.00 0.00 179.25 177.95 1ii9 n TRP 159 N -3.65 0.04 0.74 0.00 7.02 -0.48 -4.58 117.44 116.52 1ii9 n TRP 159 Ca -0.02 0.01 0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1ii9 n TRP 159 Cb 0.22 -0.97 -0.02 0.00 -2.42 0.00 0.00 31.31 28.12 1ii9 n TRP 159 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1ii9 n SER 160 N -2.72 1.48 -4.56 -0.99 3.41 -1.04 -5.01 113.62 104.18 1ii9 n SER 160 Ca -0.30 -1.24 -0.24 0.00 -0.26 0.00 0.00 58.87 56.83 1ii9 n SER 160 Cb 1.11 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 65.55 1ii9 n SER 160 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ii9 s SER 161 N -2.05 4.00 -0.02 4.04 0.01 -0.41 -5.04 113.70 114.22 1ii9 s SER 161 Ca 0.12 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1ii9 s SER 161 Cb 0.13 -0.50 0.02 0.00 0.21 0.00 0.00 66.02 65.88 1ii9 s SER 161 CO 0.46 -0.07 0.00 0.12 0.41 0.00 0.00 173.24 174.17 1ii9 s PHE 162 N -2.48 0.20 -0.17 2.43 5.36 -1.26 -4.85 117.98 117.21 1ii9 s PHE 162 Ca 0.32 0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 56.28 1ii9 s PHE 162 Cb -0.03 -0.28 -0.02 0.00 -0.34 0.00 0.00 43.02 42.35 1ii9 s PHE 162 CO 0.18 -0.08 -0.05 0.42 -1.46 0.00 0.00 175.22 174.22 1ii9 s ILE 163 N 0.74 3.58 0.15 3.12 1.01 -1.26 -5.06 121.20 123.47 1ii9 s ILE 163 Ca -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.10 1ii9 s ILE 163 Cb -0.10 -2.58 0.23 0.00 0.01 0.00 0.00 42.46 40.03 1ii9 s ILE 163 CO -0.02 0.47 0.80 0.47 0.00 0.00 0.00 174.94 176.67 1ii9 n ASP 164 N 3.94 -0.16 0.00 3.58 9.92 -1.26 -5.07 116.55 127.50 1ii9 n ASP 164 Ca -0.18 0.88 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1ii9 n ASP 164 Cb 0.52 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 1ii9 n ASP 164 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ii9 n SER 171 N -4.79 0.00 -0.30 -2.24 2.88 -1.26 -5.23 113.62 102.68 1ii9 n SER 171 Ca 0.09 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.71 1ii9 n SER 171 Cb 0.29 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.91 1ii9 n SER 171 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ii9 n LEU 173 N -1.27 0.15 -0.27 0.00 4.77 -1.26 -4.13 117.00 114.98 1ii9 n LEU 173 Ca 0.17 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.75 1ii9 n LEU 173 Cb 0.67 -0.47 0.23 0.00 -2.33 0.00 0.00 43.42 41.51 1ii9 n LEU 173 CO -0.01 -0.07 0.93 1.23 -1.33 0.00 0.00 177.39 178.14 1ii9 h GLY 174 N 4.55 1.17 2.00 -0.72 0.00 -1.84 -1.80 103.07 106.43 1ii9 h GLY 174 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ii9 h GLY 174 CO 0.00 -0.28 0.00 -2.55 0.00 0.00 0.00 176.54 173.71 1ii9 h PRO 175 N 0.24 0.00 -0.37 4.80 0.11 -1.83 -3.09 132.00 131.86 1ii9 h PRO 175 Ca 0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.57 1ii9 h PRO 175 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1ii9 h PRO 175 CO -0.59 0.00 0.16 0.52 -0.21 0.00 0.00 178.00 177.89 1ii9 h MET 176 N 0.00 0.51 0.00 1.05 2.86 -1.62 -1.15 114.93 116.58 1ii9 h MET 176 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ii9 h MET 176 Cb 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1ii9 h MET 176 CO 0.00 0.41 0.00 0.00 1.06 0.00 0.00 176.91 178.38 1ii9 n ALA 177 N -2.48 2.36 0.46 6.32 0.00 -1.17 -3.10 120.51 122.90 1ii9 n ALA 177 Ca 0.02 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.52 1ii9 n ALA 177 Cb 0.13 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 1ii9 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ii9 n GLY 178 N 0.41 -1.13 3.68 0.00 0.00 -0.44 -4.89 105.19 102.82 1ii9 n GLY 178 Ca 0.06 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1ii9 n GLY 178 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii9 s LEU 179 N -4.01 4.34 -0.00 0.99 1.43 -1.18 -4.86 118.68 115.38 1ii9 s LEU 179 Ca 0.01 2.29 0.15 0.00 -1.03 0.00 0.00 54.13 55.55 1ii9 s LEU 179 Cb 0.14 -3.55 -0.17 0.00 0.03 0.00 0.00 46.19 42.64 1ii9 s LEU 179 CO 0.84 -0.84 0.61 -0.62 0.23 0.00 0.00 176.35 176.57 1ii9 n GLU 180 N 5.89 1.87 -1.80 1.70 1.02 -1.26 -4.97 120.64 123.09 1ii9 n GLU 180 Ca 0.15 -0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.96 1ii9 n GLU 180 Cb 0.42 -1.23 0.03 0.00 -0.02 0.00 0.00 31.44 30.64 1ii9 n GLU 180 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1ii9 s LYS 181 N -2.49 3.27 0.53 3.49 1.02 -1.26 -5.01 119.74 119.29 1ii9 s LYS 181 Ca 0.05 0.94 -0.19 0.00 0.02 0.00 0.00 55.97 56.78 1ii9 s LYS 181 Cb 0.11 -2.03 -0.06 0.00 -0.52 0.00 0.00 37.83 35.32 1ii9 s LYS 181 CO 0.62 -0.84 1.09 -0.65 -0.92 0.00 0.00 175.35 174.66 1ii9 s GLN 182 N -4.83 3.50 0.42 1.68 -1.52 -1.26 -4.90 119.66 112.75 1ii9 s GLN 182 Ca 0.58 1.49 0.21 0.00 -1.95 0.00 0.00 55.36 55.69 1ii9 s GLN 182 Cb -0.13 -2.04 1.16 0.00 -0.22 0.00 0.00 33.01 31.78 1ii9 s GLN 182 CO 0.49 -0.71 1.78 -0.09 -0.25 0.00 0.00 175.29 176.52 1ii9 h ARG 183 N 1.25 0.33 -0.03 2.91 2.43 -1.98 -0.75 114.38 118.53 1ii9 h ARG 183 Ca -0.50 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1ii9 h ARG 183 Cb 1.24 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1ii9 h ARG 183 CO 0.58 0.22 0.01 0.93 -1.51 0.00 0.00 179.97 180.19 1ii9 h GLU 184 N 0.34 0.04 0.03 0.20 3.07 -1.99 -1.99 114.58 114.28 1ii9 h GLU 184 Ca 0.58 -0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 59.17 1ii9 h GLU 184 Cb 1.58 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.50 1ii9 h GLU 184 CO -0.25 0.05 -1.07 1.96 -1.40 0.00 0.00 179.01 178.30 1ii9 h GLN 185 N 0.05 0.61 -0.40 2.33 4.20 -1.49 -1.64 115.11 118.76 1ii9 h GLN 185 Ca 0.01 -0.70 -0.07 0.00 0.06 0.00 0.00 58.65 57.95 1ii9 h GLN 185 Cb 0.02 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1ii9 h GLN 185 CO -0.00 1.29 -0.06 1.88 -0.67 0.00 0.00 178.83 181.27 1ii9 h TYR 186 N 0.33 0.72 -0.27 2.96 0.05 -1.50 -0.01 116.97 119.25 1ii9 h TYR 186 Ca -0.13 -0.11 -0.15 0.00 0.05 0.00 0.00 58.73 58.39 1ii9 h TYR 186 Cb 1.72 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.26 1ii9 h TYR 186 CO 0.09 0.72 -0.45 0.00 -1.05 0.00 0.00 178.16 177.47 1ii9 h ALA 187 N 1.31 0.71 -0.22 3.88 0.00 -1.34 -1.98 119.26 121.63 1ii9 h ALA 187 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ii9 h ALA 187 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ii9 h ALA 187 CO 0.02 0.67 0.10 -0.92 0.00 0.00 0.00 179.25 179.12 1ii9 h TYR 188 N 0.55 0.32 0.26 0.00 3.20 -0.77 -0.84 116.97 119.69 1ii9 h TYR 188 Ca 0.04 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ii9 h TYR 188 Cb 0.99 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1ii9 h TYR 188 CO 0.05 0.33 -0.33 0.00 -1.64 0.00 0.00 178.16 176.56 1ii9 h ALA 189 N 0.96 -0.67 -0.51 1.82 0.00 -0.88 0.09 119.26 120.06 1ii9 h ALA 189 Ca 0.07 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.01 1ii9 h ALA 189 Cb 0.13 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1ii9 h ALA 189 CO -0.01 -0.92 0.36 0.28 0.00 0.00 0.00 179.25 178.96 1ii9 h VAL 190 N -0.65 0.82 -0.36 0.00 2.07 -1.24 0.23 116.25 117.11 1ii9 h VAL 190 Ca -0.00 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1ii9 h VAL 190 Cb 0.62 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1ii9 h VAL 190 CO -0.11 0.03 -0.03 -0.08 0.02 0.00 0.00 177.57 177.40 1ii9 h GLU 191 N 0.16 0.66 -0.18 1.57 4.81 -0.02 -2.22 114.58 119.36 1ii9 h GLU 191 Ca 0.24 -0.23 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1ii9 h GLU 191 Cb 0.74 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1ii9 h GLU 191 CO -0.04 0.79 -0.33 0.00 -0.73 0.00 0.00 179.01 178.70 1ii9 h ALA 192 N 0.85 1.09 0.00 2.92 0.00 0.13 -2.24 119.26 122.01 1ii9 h ALA 192 Ca 0.10 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ii9 h ALA 192 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ii9 h ALA 192 CO 0.02 0.57 -0.04 -0.07 0.00 0.00 0.00 179.25 179.73 1ii9 h LEU 193 N 0.33 0.00 -1.29 0.00 3.38 -0.79 -2.97 115.31 113.96 1ii9 h LEU 193 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ii9 h LEU 193 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ii9 h LEU 193 CO 0.06 0.04 -0.28 -1.20 0.09 0.00 0.00 178.44 177.15 1ii9 n SER 194 N -3.14 2.29 -4.47 -0.43 7.64 -0.85 -4.56 113.62 110.09 1ii9 n SER 194 Ca 0.01 -1.65 -0.43 0.00 1.01 0.00 0.00 58.87 57.81 1ii9 n SER 194 Cb 0.36 0.27 -0.05 0.00 -1.01 0.00 0.00 64.21 63.79 1ii9 n SER 194 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ii9 s ASP 195 N -2.29 6.25 0.65 6.43 -1.08 -0.89 -4.72 116.67 121.03 1ii9 s ASP 195 Ca 0.23 -0.76 0.30 0.00 -0.52 0.00 0.00 52.55 51.80 1ii9 s ASP 195 Cb 0.19 -2.36 1.64 0.00 -1.46 0.00 0.00 42.92 40.93 1ii9 s ASP 195 CO 0.47 -1.10 1.92 1.55 0.52 0.00 0.00 175.17 178.52 1ii9 h PRO 196 N 9.20 0.00 0.00 4.34 0.13 -1.88 0.22 132.00 144.01 1ii9 h PRO 196 Ca -0.27 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1ii9 h PRO 196 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1ii9 h PRO 196 CO 1.05 0.00 -0.23 0.87 -0.23 0.00 0.00 178.00 179.46 1ii9 h LYS 197 N 0.00 0.00 0.00 0.86 1.57 -1.93 -3.35 116.57 113.72 1ii9 h LYS 197 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 1ii9 h LYS 197 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1ii9 h LYS 197 CO 0.00 0.23 -1.60 0.54 -0.57 0.00 0.00 179.45 178.04 1ii9 n ARG 198 N -3.22 2.30 -4.28 3.15 1.74 0.55 -4.54 116.66 112.35 1ii9 n ARG 198 Ca 0.02 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1ii9 n ARG 198 Cb 0.54 -1.23 -0.16 0.00 -1.02 0.00 0.00 32.46 30.59 1ii9 n ARG 198 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1ii9 s THR 199 N -2.27 0.72 -0.11 0.55 2.01 0.04 -0.21 115.64 116.37 1ii9 s THR 199 Ca -0.04 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.74 1ii9 s THR 199 Cb 0.03 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1ii9 s THR 199 CO 0.37 0.27 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.83 1ii9 s ARG 200 N 0.86 3.20 -0.21 4.92 3.52 -0.38 -4.39 118.95 126.46 1ii9 s ARG 200 Ca -0.12 -0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 54.71 1ii9 s ARG 200 Cb -0.15 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1ii9 s ARG 200 CO 0.01 0.28 0.03 -1.17 -0.81 0.00 0.00 175.30 173.64 1ii9 s LEU 201 N 0.16 3.41 -0.30 -0.88 1.98 0.59 -1.93 118.68 121.71 1ii9 s LEU 201 Ca -0.08 -0.15 -0.06 0.00 -2.89 0.00 0.00 54.13 50.96 1ii9 s LEU 201 Cb -0.15 -1.88 0.02 0.00 0.66 0.00 0.00 46.19 44.84 1ii9 s LEU 201 CO 0.05 0.06 0.06 -0.69 -1.89 0.00 0.00 176.35 173.94 1ii9 s VAL 202 N 1.05 3.70 -0.20 1.68 1.01 -0.42 -0.78 120.40 126.44 1ii9 s VAL 202 Ca 0.03 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 1ii9 s VAL 202 Cb -0.14 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1ii9 s VAL 202 CO 0.02 0.03 0.90 -0.76 0.00 0.00 0.00 175.10 175.29 1ii9 s LEU 203 N 1.44 4.14 -0.17 3.92 1.43 0.13 -1.50 118.68 128.06 1ii9 s LEU 203 Ca 0.01 1.21 -0.09 0.00 -1.03 0.00 0.00 54.13 54.23 1ii9 s LEU 203 Cb -0.18 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1ii9 s LEU 203 CO 0.01 -0.50 0.12 -0.69 0.23 0.00 0.00 176.35 175.52 1ii9 s VAL 204 N 2.58 5.35 0.00 -1.59 1.01 0.79 -0.75 120.40 127.79 1ii9 s VAL 204 Ca 0.40 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1ii9 s VAL 204 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1ii9 s VAL 204 CO 0.10 0.50 0.00 0.00 0.00 0.00 0.00 175.10 175.70 1ii9 n ALA 205 N 3.05 0.00 -2.20 5.51 0.00 -0.73 -4.48 120.51 121.66 1ii9 n ALA 205 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 1ii9 n ALA 205 Cb 0.53 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1ii9 n ALA 205 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ii9 s ARG 206 N -1.18 0.97 -1.35 0.00 1.81 -1.26 -1.34 118.95 116.60 1ii9 s ARG 206 Ca 0.00 -1.44 -0.10 0.00 -1.72 0.00 0.00 55.73 52.47 1ii9 s ARG 206 Cb 0.00 -0.15 0.12 0.00 -0.45 0.00 0.00 34.95 34.47 1ii9 s ARG 206 CO 0.00 -0.11 2.08 1.28 -0.68 0.00 0.00 175.30 177.87 1ii9 n LEU 207 N -0.14 6.98 -3.88 2.53 4.77 -1.26 -4.41 117.00 121.60 1ii9 n LEU 207 Ca -0.09 -4.54 -0.24 0.00 -0.03 0.00 0.00 56.01 51.12 1ii9 n LEU 207 Cb 0.62 -1.51 -0.17 0.00 -2.33 0.00 0.00 43.42 40.03 1ii9 n LEU 207 CO 0.32 1.43 -0.42 -1.58 -1.33 0.00 0.00 177.39 175.81 1ii9 s GLN 208 N 0.99 1.13 0.30 3.23 -0.44 -1.26 -4.37 119.66 119.24 1ii9 s GLN 208 Ca 0.44 -0.13 0.09 0.00 -2.50 0.00 0.00 55.36 53.26 1ii9 s GLN 208 Cb 0.12 -1.23 0.92 0.00 -1.64 0.00 0.00 33.01 31.19 1ii9 s GLN 208 CO -0.03 -0.20 1.43 1.17 0.50 0.00 0.00 175.29 178.15 1ii9 n LYS 209 N 4.68 -0.06 -0.03 1.67 3.00 -1.26 -1.69 118.16 124.46 1ii9 n LYS 209 Ca -0.15 1.31 -0.13 0.00 -0.00 0.00 0.00 58.31 59.34 1ii9 n LYS 209 Cb 0.50 -2.20 -0.10 0.00 0.00 0.00 0.00 35.03 33.24 1ii9 n LYS 209 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1ii9 h SER 210 N 0.00 0.08 -0.82 3.14 0.87 -1.96 -3.14 113.55 111.73 1ii9 h SER 210 Ca 0.64 -0.55 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1ii9 h SER 210 Cb 1.52 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.42 1ii9 h SER 210 CO -0.79 0.61 0.54 0.74 -0.53 0.00 0.00 176.83 177.41 1ii9 h THR 211 N -0.45 1.20 -0.24 2.23 2.02 -1.64 -1.61 112.91 114.42 1ii9 h THR 211 Ca 0.00 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1ii9 h THR 211 Cb 0.60 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1ii9 h THR 211 CO 0.01 0.20 0.02 -0.07 0.37 0.00 0.00 175.52 176.05 1ii9 h LEU 212 N 1.09 0.32 -0.57 2.58 -0.00 -1.52 -1.90 115.31 115.31 1ii9 h LEU 212 Ca 0.30 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 1ii9 h LEU 212 Cb -0.10 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 1ii9 h LEU 212 CO -0.07 0.36 0.28 1.56 -0.00 0.00 0.00 178.44 180.57 1ii9 h GLN 213 N 0.34 0.81 -0.54 1.13 1.08 -1.24 -0.63 115.11 116.08 1ii9 h GLN 213 Ca 0.08 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1ii9 h GLN 213 Cb 0.20 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1ii9 h GLN 213 CO 0.00 0.65 -0.03 1.49 -0.95 0.00 0.00 178.83 179.99 1ii9 h GLU 214 N 0.77 0.97 0.05 1.46 4.57 -1.26 -2.70 114.58 118.44 1ii9 h GLU 214 Ca 0.20 -0.32 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1ii9 h GLU 214 Cb 0.10 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1ii9 h GLU 214 CO -0.03 0.99 -0.03 0.28 -1.18 0.00 0.00 179.01 179.05 1ii9 h VAL 215 N 0.84 1.10 -1.01 0.32 2.07 -1.14 -0.88 116.25 117.55 1ii9 h VAL 215 Ca 0.15 -0.51 0.24 0.00 0.82 0.00 0.00 66.70 67.40 1ii9 h VAL 215 Cb 0.58 1.44 -0.11 0.00 -1.52 0.00 0.00 31.29 31.67 1ii9 h VAL 215 CO 0.03 0.13 0.62 0.00 0.02 0.00 0.00 177.57 178.37 1ii9 h ALA 216 N 0.64 1.89 0.01 1.67 0.00 -1.10 0.32 119.26 122.69 1ii9 h ALA 216 Ca -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ii9 h ALA 216 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ii9 h ALA 216 CO 0.01 -0.33 -0.01 -0.09 0.00 0.00 0.00 179.25 178.84 1ii9 h ARG 217 N 0.56 -0.01 -0.89 0.00 2.43 -1.12 -2.65 114.38 112.69 1ii9 h ARG 217 Ca 0.62 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.84 1ii9 h ARG 217 Cb 1.25 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 1ii9 h ARG 217 CO -0.42 0.32 0.58 1.15 -1.51 0.00 0.00 179.97 180.10 1ii9 h THR 218 N -0.35 1.11 -0.67 0.20 2.02 0.40 -1.94 112.91 113.67 1ii9 h THR 218 Ca -0.00 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1ii9 h THR 218 Cb 0.34 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1ii9 h THR 218 CO 0.00 0.19 0.35 -0.74 0.37 0.00 0.00 175.52 175.70 1ii9 h HIS 219 N 1.06 0.94 -0.33 3.16 -0.00 -0.97 -0.94 115.15 118.08 1ii9 h HIS 219 Ca 0.37 -0.03 -0.11 0.00 -0.00 0.00 0.00 60.37 60.60 1ii9 h HIS 219 Cb 0.11 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1ii9 h HIS 219 CO -0.00 0.69 -0.23 -0.07 -0.00 0.00 0.00 177.93 178.31 1ii9 h LEU 220 N 0.92 0.77 -0.19 0.26 3.38 -1.05 -1.10 115.31 118.31 1ii9 h LEU 220 Ca 0.23 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1ii9 h LEU 220 Cb 0.07 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1ii9 h LEU 220 CO -0.03 1.05 0.12 -0.08 0.09 0.00 0.00 178.44 179.59 1ii9 h GLU 221 N 0.51 0.26 0.00 1.13 4.81 -1.22 -1.37 114.58 118.70 1ii9 h GLU 221 Ca 0.06 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1ii9 h GLU 221 Cb 0.79 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1ii9 h GLU 221 CO 0.06 0.18 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.00 1ii9 h LEU 222 N 0.25 0.00 0.03 1.64 3.38 -1.16 -2.89 115.31 116.56 1ii9 h LEU 222 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ii9 h LEU 222 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1ii9 h LEU 222 CO -0.01 0.45 -0.02 0.00 0.09 0.00 0.00 178.44 178.95 1ii9 h ALA 223 N 1.55 -0.04 -0.75 1.53 0.00 -0.95 0.66 119.26 121.26 1ii9 h ALA 223 Ca -0.00 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.75 1ii9 h ALA 223 Cb 0.84 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1ii9 h ALA 223 CO 0.06 -0.20 0.50 0.00 0.00 0.00 0.00 179.25 179.61 1ii9 h ALA 224 N 0.23 2.13 0.00 0.00 0.00 -1.26 0.31 119.26 120.67 1ii9 h ALA 224 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1ii9 h ALA 224 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ii9 h ALA 224 CO 0.01 -0.33 -0.34 0.82 0.00 0.00 0.00 179.25 179.40 1ii9 h ILE 225 N 0.40 0.84 0.00 0.00 2.04 -1.45 -3.47 117.51 115.87 1ii9 h ILE 225 Ca 0.37 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1ii9 h ILE 225 Cb 0.86 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1ii9 h ILE 225 CO -0.11 0.34 0.00 0.61 0.00 0.00 0.00 178.15 178.98 1ii9 n GLY 226 N 0.16 1.28 3.55 5.37 0.00 0.11 -5.01 105.19 110.66 1ii9 n GLY 226 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1ii9 n GLY 226 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii9 s LEU 227 N 0.00 3.20 0.00 0.99 1.02 0.18 -4.67 118.68 119.41 1ii9 s LEU 227 Ca 0.00 -0.31 0.11 0.00 0.02 0.00 0.00 54.13 53.95 1ii9 s LEU 227 Cb 0.00 -2.55 0.20 0.00 0.02 0.00 0.00 46.19 43.86 1ii9 s LEU 227 CO 0.00 -1.96 1.06 0.29 0.02 0.00 0.00 176.35 175.77 1ii9 n LYS 228 N 9.32 1.73 -3.45 1.70 5.02 -1.26 -3.55 118.16 127.66 1ii9 n LYS 228 Ca 0.08 -1.62 -0.42 0.00 -2.02 0.00 0.00 58.31 54.33 1ii9 n LYS 228 Cb 0.50 -1.25 -0.03 0.00 -0.02 0.00 0.00 35.03 34.23 1ii9 n LYS 228 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1ii9 s ASN 229 N -0.98 6.73 0.07 4.39 3.04 -1.26 -5.02 114.94 121.91 1ii9 s ASN 229 Ca 0.19 -3.47 0.09 0.00 0.04 0.00 0.00 52.86 49.71 1ii9 s ASN 229 Cb 0.11 -2.10 -0.03 0.00 -1.54 0.00 0.00 41.25 37.69 1ii9 s ASN 229 CO 0.15 -0.30 -0.25 -1.10 -3.04 0.00 0.00 177.10 172.57 1ii9 s GLN 230 N -1.03 1.76 0.01 0.43 -0.21 -1.26 -0.30 119.66 119.06 1ii9 s GLN 230 Ca 0.27 -1.14 0.03 0.00 0.02 0.00 0.00 55.36 54.54 1ii9 s GLN 230 Cb -0.10 -2.01 -0.01 0.00 1.00 0.00 0.00 33.01 31.89 1ii9 s GLN 230 CO -0.09 0.50 -0.09 0.71 -2.12 0.00 0.00 175.29 174.20 1ii9 s TYR 231 N -0.90 0.82 -0.21 0.91 1.51 0.04 -4.46 117.35 115.06 1ii9 s TYR 231 Ca 0.13 -0.22 -0.08 0.00 -1.01 0.00 0.00 57.07 55.89 1ii9 s TYR 231 Cb -0.10 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 1ii9 s TYR 231 CO 0.04 -0.01 0.09 -1.17 -1.11 0.00 0.00 175.55 173.39 1ii9 s LEU 232 N -0.52 3.84 -0.29 -1.29 2.96 0.24 0.18 118.68 123.80 1ii9 s LEU 232 Ca 0.01 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1ii9 s LEU 232 Cb -0.05 -2.00 0.08 0.00 0.50 0.00 0.00 46.19 44.72 1ii9 s LEU 232 CO 0.00 0.11 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.43 1ii9 s VAL 233 N 0.78 1.99 -0.32 1.68 1.01 0.07 -1.31 120.40 124.30 1ii9 s VAL 233 Ca 0.05 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 1ii9 s VAL 233 Cb -0.13 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.95 1ii9 s VAL 233 CO 0.02 -0.31 0.72 -0.63 0.00 0.00 0.00 175.10 174.89 1ii9 s ILE 234 N 1.12 4.84 0.34 2.22 1.01 0.44 -1.77 121.20 129.39 1ii9 s ILE 234 Ca 0.01 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.67 1ii9 s ILE 234 Cb -0.19 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1ii9 s ILE 234 CO -0.08 -0.26 0.39 0.21 0.00 0.00 0.00 174.94 175.20 1ii9 s ASN 235 N 1.69 5.63 -1.00 3.58 3.04 -0.45 0.20 114.94 127.63 1ii9 s ASN 235 Ca 0.29 -0.35 0.00 0.00 0.04 0.00 0.00 52.86 52.84 1ii9 s ASN 235 Cb -0.14 -1.08 0.00 0.00 -1.54 0.00 0.00 41.25 38.48 1ii9 s ASN 235 CO 0.13 -0.41 0.00 0.61 -3.04 0.00 0.00 177.10 174.39 1ii9 n GLY 236 N -1.52 0.95 3.71 1.21 0.00 -1.12 -4.47 105.19 103.95 1ii9 n GLY 236 Ca -0.01 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1ii9 n GLY 236 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ii9 n VAL 237 N -2.30 1.42 -2.86 1.61 0.31 -0.39 -3.73 118.33 112.40 1ii9 n VAL 237 Ca -0.09 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.46 1ii9 n VAL 237 Cb 0.53 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 1ii9 n VAL 237 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ii9 s LEU 238 N -0.63 4.10 -0.03 7.52 1.98 -1.26 0.30 118.68 130.66 1ii9 s LEU 238 Ca 0.61 1.10 -0.30 0.00 -2.89 0.00 0.00 54.13 52.66 1ii9 s LEU 238 Cb -0.57 -3.24 -0.04 0.00 0.66 0.00 0.00 46.19 43.00 1ii9 s LEU 238 CO 0.55 -0.52 1.22 -2.16 -1.89 0.00 0.00 176.35 173.56 1ii9 s PRO 239 N 2.78 4.36 0.41 0.98 0.04 -1.26 -4.88 135.00 137.42 1ii9 s PRO 239 Ca 0.37 1.72 0.23 0.00 0.04 0.00 0.00 61.00 63.36 1ii9 s PRO 239 Cb -0.15 -3.53 1.26 0.00 0.04 0.00 0.00 34.50 32.12 1ii9 s PRO 239 CO 0.08 -0.43 1.68 -0.22 0.04 0.00 0.00 177.00 178.14 1ii9 h LYS 240 N 7.40 0.22 -2.62 4.56 3.64 -1.96 -2.31 116.57 125.51 1ii9 h LYS 240 Ca -0.36 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1ii9 h LYS 240 Cb 1.17 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1ii9 h LYS 240 CO 0.87 0.14 0.16 -2.37 -2.27 0.00 0.00 179.45 175.99 1ii9 n THR 241 N -4.75 1.12 0.00 1.00 5.66 -1.26 -0.38 114.28 115.67 1ii9 n THR 241 Ca 0.32 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1ii9 n THR 241 Cb 1.17 -1.68 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 1ii9 n THR 241 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1ii9 n GLU 242 N 2.80 0.00 0.00 1.09 -0.58 -0.87 -4.88 120.64 118.20 1ii9 n GLU 242 Ca 0.16 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 57.00 1ii9 n GLU 242 Cb 0.34 0.00 0.53 0.00 -0.57 0.00 0.00 31.44 31.75 1ii9 n GLU 242 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ii9 n ALA 243 N -0.12 2.13 -2.59 0.62 0.00 0.49 -4.62 120.51 116.43 1ii9 n ALA 243 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 53.44 52.94 1ii9 n ALA 243 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1ii9 n ALA 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ii9 s ALA 244 N -2.26 3.44 0.00 0.00 0.00 -1.26 -4.16 121.76 117.52 1ii9 s ALA 244 Ca 0.24 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1ii9 s ALA 244 Cb 0.13 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1ii9 s ALA 244 CO 0.25 0.06 0.00 -1.71 0.00 0.00 0.00 175.76 174.36 1ii9 n ASN 245 N 3.18 0.00 -4.65 0.00 5.15 -1.26 -4.97 115.26 112.70 1ii9 n ASN 245 Ca -0.05 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1ii9 n ASN 245 Cb 0.51 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.70 1ii9 n ASN 245 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ii9 s ASP 246 N 0.00 6.60 0.50 1.20 3.68 -1.26 -4.98 116.67 122.41 1ii9 s ASP 246 Ca 0.00 0.73 0.15 0.00 2.13 0.00 0.00 52.55 55.56 1ii9 s ASP 246 Cb 0.00 -2.32 1.18 0.00 -1.45 0.00 0.00 42.92 40.33 1ii9 s ASP 246 CO 0.00 -0.26 2.10 0.71 0.13 0.00 0.00 175.17 177.85 1ii9 h THR 247 N 5.22 1.04 0.26 1.71 1.35 -1.91 -2.70 112.91 117.88 1ii9 h THR 247 Ca -0.31 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1ii9 h THR 247 Cb 1.14 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 1ii9 h THR 247 CO 0.76 0.05 -0.12 0.25 -0.25 0.00 0.00 175.52 176.21 1ii9 h LEU 248 N 0.02 -0.29 -1.01 3.87 5.85 -1.94 -1.72 115.31 120.09 1ii9 h LEU 248 Ca 0.01 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.65 1ii9 h LEU 248 Cb 0.09 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1ii9 h LEU 248 CO 0.01 0.10 0.63 0.00 -0.34 0.00 0.00 178.44 178.83 1ii9 h ALA 249 N -0.15 1.57 -0.69 1.25 0.00 -1.85 -0.06 119.26 119.32 1ii9 h ALA 249 Ca -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ii9 h ALA 249 Cb 0.49 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ii9 h ALA 249 CO 0.06 0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.76 1ii9 h ALA 250 N 1.57 0.89 -0.23 0.00 0.00 -1.39 0.55 119.26 120.66 1ii9 h ALA 250 Ca 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ii9 h ALA 250 Cb 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ii9 h ALA 250 CO -0.30 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.56 1ii9 h ALA 251 N 1.14 0.29 0.38 0.00 0.00 -0.10 -2.82 119.26 118.17 1ii9 h ALA 251 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1ii9 h ALA 251 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ii9 h ALA 251 CO -0.02 -0.18 -0.18 0.82 0.00 0.00 0.00 179.25 179.68 1ii9 h ILE 252 N 0.26 0.00 -1.24 0.00 2.04 -0.99 -2.31 117.51 115.27 1ii9 h ILE 252 Ca 0.08 -0.02 0.46 0.00 1.00 0.00 0.00 64.86 66.37 1ii9 h ILE 252 Cb 0.06 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.98 1ii9 h ILE 252 CO -0.01 0.00 0.76 1.87 0.00 0.00 0.00 178.15 180.77 1ii9 n TRP 253 N -3.45 0.86 0.02 1.37 -0.00 0.16 0.29 117.44 116.69 1ii9 n TRP 253 Ca -0.06 0.87 -0.12 0.00 -0.00 0.00 0.00 57.50 58.18 1ii9 n TRP 253 Cb 0.20 -1.29 -0.09 0.00 -0.00 0.00 0.00 31.31 30.13 1ii9 n TRP 253 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1ii9 h GLU 254 N 0.00 -0.11 -1.01 5.87 4.81 -1.42 -1.63 114.58 121.08 1ii9 h GLU 254 Ca 0.87 0.01 0.27 0.00 -0.13 0.00 0.00 59.36 60.37 1ii9 h GLU 254 Cb 2.62 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 31.96 1ii9 h GLU 254 CO -0.57 0.40 0.68 -0.09 -0.73 0.00 0.00 179.01 178.71 1ii9 h ARG 255 N -0.71 0.24 0.04 1.92 2.43 0.43 0.63 114.38 119.36 1ii9 h ARG 255 Ca -0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.07 1ii9 h ARG 255 Cb 0.56 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1ii9 h ARG 255 CO 0.02 0.16 -0.36 0.93 -1.51 0.00 0.00 179.97 179.21 1ii9 h GLU 256 N 0.25 0.09 -0.16 0.20 5.08 -1.20 -2.53 114.58 116.31 1ii9 h GLU 256 Ca 0.53 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.78 1ii9 h GLU 256 Cb 1.62 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 1ii9 h GLU 256 CO -0.16 1.07 0.14 1.96 -1.00 0.00 0.00 179.01 181.02 1ii9 h GLN 257 N -0.81 0.00 0.05 2.33 7.50 -0.19 1.36 115.11 125.35 1ii9 h GLN 257 Ca -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.07 1ii9 h GLN 257 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.75 1ii9 h GLN 257 CO 0.03 0.00 -0.02 1.49 -1.50 0.00 0.00 178.83 178.82 1ii9 h GLU 258 N 0.00 -0.06 -0.26 1.46 4.22 0.19 -1.88 114.58 118.25 1ii9 h GLU 258 Ca 0.08 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.58 1ii9 h GLU 258 Cb 0.35 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 1ii9 h GLU 258 CO -0.00 -0.04 -0.25 0.00 -2.18 0.00 0.00 179.01 176.53 1ii9 h ALA 259 N -1.95 -0.14 -0.99 2.92 0.00 -0.84 0.38 119.26 118.63 1ii9 h ALA 259 Ca -0.01 0.08 0.32 0.00 0.00 0.00 0.00 54.91 55.30 1ii9 h ALA 259 Cb 0.05 0.53 -0.15 0.00 0.00 0.00 0.00 17.79 18.22 1ii9 h ALA 259 CO 0.01 -0.68 0.54 1.25 0.00 0.00 0.00 179.25 180.37 1ii9 h LEU 260 N -0.25 0.46 -0.28 0.00 7.12 0.17 0.96 115.31 123.48 1ii9 h LEU 260 Ca 0.14 0.19 -0.08 0.00 0.13 0.00 0.00 57.88 58.26 1ii9 h LEU 260 Cb 0.47 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.75 1ii9 h LEU 260 CO -0.41 -0.15 -0.40 0.00 -0.13 0.00 0.00 178.44 177.35 1ii9 h ALA 261 N 1.85 0.79 -0.87 1.25 0.00 -0.11 -3.30 119.26 118.87 1ii9 h ALA 261 Ca 0.72 -0.37 -0.60 0.00 0.00 0.00 0.00 54.91 54.66 1ii9 h ALA 261 Cb 1.64 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.99 1ii9 h ALA 261 CO -0.62 0.51 -0.19 0.09 0.00 0.00 0.00 179.25 179.03 1ii9 n ASN 262 N -3.27 5.93 -4.61 0.00 3.02 0.32 -5.05 115.26 111.61 1ii9 n ASN 262 Ca 0.02 -3.76 -0.45 0.00 -0.03 0.00 0.00 54.58 50.35 1ii9 n ASN 262 Cb 0.65 -0.58 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 1ii9 n ASN 262 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ii9 n LEU 263 N -0.77 2.07 -4.64 3.41 4.77 -0.57 -4.83 117.00 116.45 1ii9 n LEU 263 Ca 0.51 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 57.26 1ii9 n LEU 263 Cb 0.84 -1.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1ii9 n LEU 263 CO 0.54 -1.19 0.65 -0.81 -1.33 0.00 0.00 177.39 175.25 1ii9 n PRO 264 N 1.04 1.30 -0.33 3.23 -0.04 -1.26 -4.75 135.00 134.19 1ii9 n PRO 264 Ca 0.10 0.48 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 1ii9 n PRO 264 Cb 0.31 -2.19 0.04 0.00 -0.04 0.00 0.00 33.50 31.62 1ii9 n PRO 264 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ii9 h ALA 265 N 1.20 0.17 -0.89 0.55 0.00 -2.01 -2.00 119.26 116.27 1ii9 h ALA 265 Ca -0.47 0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.84 1ii9 h ALA 265 Cb 1.34 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 19.94 1ii9 h ALA 265 CO 0.55 -0.61 0.49 -0.44 0.00 0.00 0.00 179.25 179.24 1ii9 h ASP 266 N -0.05 0.62 1.37 0.00 3.45 -1.95 -1.40 116.42 118.46 1ii9 h ASP 266 Ca 0.33 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.87 1ii9 h ASP 266 Cb 0.59 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1ii9 h ASP 266 CO -0.90 0.27 0.00 -0.07 -1.57 0.00 0.00 179.24 176.97 1ii9 h LEU 267 N 0.70 0.00 -0.25 1.55 3.38 -1.71 -3.34 115.31 115.64 1ii9 h LEU 267 Ca 0.49 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.51 1ii9 h LEU 267 Cb 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1ii9 h LEU 267 CO -0.35 0.00 -0.07 0.00 0.09 0.00 0.00 178.44 178.11 1ii9 h ALA 268 N 2.30 0.15 0.00 1.53 0.00 -1.06 -1.57 119.26 120.61 1ii9 h ALA 268 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ii9 h ALA 268 Cb 0.68 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ii9 h ALA 268 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 179.25 179.18 1ii9 n GLY 269 N -1.23 -0.61 3.75 0.00 0.00 -1.25 -4.78 105.19 101.05 1ii9 n GLY 269 Ca -0.01 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1ii9 n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ii9 s LEU 270 N -2.20 4.55 0.27 0.99 1.02 -0.59 -5.00 118.68 117.72 1ii9 s LEU 270 Ca 0.21 1.69 -0.30 0.00 0.02 0.00 0.00 54.13 55.76 1ii9 s LEU 270 Cb 0.11 -3.41 -0.11 0.00 0.02 0.00 0.00 46.19 42.80 1ii9 s LEU 270 CO 0.21 0.09 1.55 -2.16 0.02 0.00 0.00 176.35 176.05 1ii9 s PRO 271 N -0.61 4.17 0.02 1.29 0.04 -1.26 -4.78 135.00 133.88 1ii9 s PRO 271 Ca 0.40 2.48 0.04 0.00 0.04 0.00 0.00 61.00 63.97 1ii9 s PRO 271 Cb -0.23 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1ii9 s PRO 271 CO 0.27 -0.57 -0.12 0.99 0.04 0.00 0.00 177.00 177.61 1ii9 s THR 272 N 0.11 0.97 0.07 1.26 2.01 -1.26 -0.59 115.64 118.21 1ii9 s THR 272 Ca 0.63 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1ii9 s THR 272 Cb -0.46 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.15 1ii9 s THR 272 CO 0.45 0.04 -0.07 -1.81 -0.69 0.00 0.00 174.62 172.54 1ii9 s ASP 273 N -0.90 0.97 0.02 3.53 1.01 -0.43 -4.89 116.67 115.99 1ii9 s ASP 273 Ca 0.01 -0.80 0.05 0.00 0.71 0.00 0.00 52.55 52.52 1ii9 s ASP 273 Cb -0.07 0.07 -0.02 0.00 1.01 0.00 0.00 42.92 43.92 1ii9 s ASP 273 CO 0.01 -0.35 -0.14 0.42 0.21 0.00 0.00 175.17 175.31 1ii9 s THR 274 N -2.62 1.15 0.16 -1.27 -4.23 -1.26 -0.42 115.64 107.15 1ii9 s THR 274 Ca 0.02 -0.87 0.09 0.00 -1.18 0.00 0.00 61.69 59.75 1ii9 s THR 274 Cb -0.02 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1ii9 s THR 274 CO -0.03 0.13 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.29 1ii9 s LEU 275 N -0.86 2.87 0.12 4.79 1.43 0.13 -4.93 118.68 122.23 1ii9 s LEU 275 Ca 0.03 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.42 1ii9 s LEU 275 Cb -0.07 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.48 1ii9 s LEU 275 CO 0.01 0.13 0.50 -0.36 0.23 0.00 0.00 176.35 176.86 1ii9 s PHE 276 N -1.54 3.61 0.09 0.29 0.08 -1.26 -1.26 117.98 117.99 1ii9 s PHE 276 Ca 0.23 0.99 -0.31 0.00 0.12 0.00 0.00 56.93 57.95 1ii9 s PHE 276 Cb -0.09 -2.31 -0.11 0.00 -0.57 0.00 0.00 43.02 39.94 1ii9 s PHE 276 CO 0.13 0.46 1.86 -0.11 -0.10 0.00 0.00 175.22 177.47 1ii9 n LEU 277 N 0.88 3.96 -4.89 -0.37 7.94 0.15 -4.46 117.00 120.20 1ii9 n LEU 277 Ca -0.06 0.97 -0.32 0.00 -1.11 0.00 0.00 56.01 55.49 1ii9 n LEU 277 Cb 0.52 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.90 1ii9 n LEU 277 CO 0.42 0.14 0.02 -1.10 -1.11 0.00 0.00 177.39 175.76 1ii9 s GLN 278 N 3.11 3.63 0.08 1.96 -1.52 -1.26 -4.94 119.66 120.72 1ii9 s GLN 278 Ca 0.84 -0.05 -0.34 0.00 -1.95 0.00 0.00 55.36 53.86 1ii9 s GLN 278 Cb -0.50 -2.90 -0.18 0.00 -0.22 0.00 0.00 33.01 29.21 1ii9 s GLN 278 CO 0.40 0.50 1.61 -1.35 -0.25 0.00 0.00 175.29 176.20 1ii9 h PRO 279 N 3.10 -0.92 -6.33 2.91 0.11 -1.93 -3.44 132.00 125.49 1ii9 h PRO 279 Ca -0.47 0.06 -0.67 0.00 0.11 0.00 0.00 66.00 65.04 1ii9 h PRO 279 Cb 1.17 0.21 -0.15 0.00 0.11 0.00 0.00 31.00 32.34 1ii9 h PRO 279 CO 0.71 -0.61 -0.69 0.08 -0.21 0.00 0.00 178.00 177.27 1ii9 s VAL 280 N -6.02 3.73 -0.16 3.15 1.01 -1.26 -4.16 120.40 116.71 1ii9 s VAL 280 Ca -0.18 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1ii9 s VAL 280 Cb 0.04 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1ii9 s VAL 280 CO 0.62 0.28 1.62 0.20 0.00 0.00 0.00 175.10 177.82 1ii9 s ASN 281 N -1.76 6.50 0.68 3.32 0.01 -1.26 -4.92 114.94 117.51 1ii9 s ASN 281 Ca 0.20 1.86 -0.18 0.00 -0.71 0.00 0.00 52.86 54.03 1ii9 s ASN 281 Cb -0.11 -2.53 -0.15 0.00 0.41 0.00 0.00 41.25 38.87 1ii9 s ASN 281 CO 0.11 -1.12 -0.33 0.23 -1.51 0.00 0.00 177.10 174.49 1ii9 n MET 282 N 7.41 0.01 -0.05 -0.60 2.81 -1.26 -4.93 117.12 120.51 1ii9 n MET 282 Ca 0.18 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1ii9 n MET 282 Cb 0.44 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.92 1ii9 n MET 282 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1ii9 n VAL 283 N -1.87 0.00 -3.69 2.03 3.14 -1.26 -5.02 118.33 111.66 1ii9 n VAL 283 Ca 0.05 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.35 1ii9 n VAL 283 Cb 0.50 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 33.26 1ii9 n VAL 283 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ii9 s GLY 284 N 0.00 -0.29 0.19 7.55 0.00 -1.26 -4.75 107.32 108.77 1ii9 s GLY 284 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.68 1ii9 s GLY 284 CO 0.00 0.03 1.69 -2.08 0.00 0.00 0.00 173.10 172.74 1ii9 h VAL 285 N 2.00 0.61 0.22 1.40 2.07 -1.97 0.76 116.25 121.34 1ii9 h VAL 285 Ca -0.24 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ii9 h VAL 285 Cb 1.26 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1ii9 h VAL 285 CO 0.28 0.03 -0.45 -1.28 0.02 0.00 0.00 177.57 176.17 1ii9 h SER 286 N 0.15 -1.31 -0.57 0.57 0.87 -1.98 -0.52 113.55 110.76 1ii9 h SER 286 Ca 0.27 0.13 0.03 0.00 -1.23 0.00 0.00 61.79 60.99 1ii9 h SER 286 Cb 0.41 0.47 -0.04 0.00 -0.44 0.00 0.00 62.40 62.80 1ii9 h SER 286 CO -0.42 -0.51 0.34 0.00 -0.53 0.00 0.00 176.83 175.71 1ii9 h ALA 287 N -0.80 0.74 -0.08 6.23 0.00 -1.87 -2.81 119.26 120.65 1ii9 h ALA 287 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ii9 h ALA 287 Cb 0.69 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1ii9 h ALA 287 CO -0.18 0.05 -0.06 -0.07 0.00 0.00 0.00 179.25 178.99 1ii9 h LEU 288 N 0.66 -0.19 -0.97 0.00 3.38 -0.65 -2.33 115.31 115.20 1ii9 h LEU 288 Ca 0.23 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.39 1ii9 h LEU 288 Cb 0.04 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1ii9 h LEU 288 CO -0.11 -0.09 0.59 0.28 0.09 0.00 0.00 178.44 179.20 1ii9 h SER 289 N -0.07 0.81 -0.33 -0.43 0.02 -0.92 -2.25 113.55 110.39 1ii9 h SER 289 Ca 0.06 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1ii9 h SER 289 Cb 0.15 -0.08 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 1ii9 h SER 289 CO -0.13 0.38 -0.29 -0.09 -1.14 0.00 0.00 176.83 175.56 1ii9 h ARG 290 N 0.86 -0.25 -0.81 3.45 2.43 -1.16 -2.68 114.38 116.22 1ii9 h ARG 290 Ca 0.51 0.02 0.31 0.00 -0.81 0.00 0.00 59.98 60.01 1ii9 h ARG 290 Cb 0.64 0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 1ii9 h ARG 290 CO -0.32 -0.17 0.48 -0.11 -1.51 0.00 0.00 179.97 178.34 1ii9 n LEU 291 N -5.41 0.20 -1.08 3.80 0.00 -0.84 -1.01 117.00 112.66 1ii9 n LEU 291 Ca 0.00 1.08 -0.01 0.00 0.00 0.00 0.00 56.01 57.08 1ii9 n LEU 291 Cb 0.32 -0.53 0.10 0.00 0.00 0.00 0.00 43.42 43.31 1ii9 n LEU 291 CO 0.10 -1.19 0.55 0.18 0.00 0.00 0.00 177.39 177.02 1ii9 n LEU 292 N -4.37 3.03 0.00 -1.96 7.99 -1.01 -4.48 117.00 116.21 1ii9 n LEU 292 Ca 0.27 -1.55 0.00 0.00 -0.01 0.00 0.00 56.01 54.72 1ii9 n LEU 292 Cb 0.98 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.72 1ii9 n LEU 292 CO 0.06 0.47 0.00 -1.54 -1.51 0.00 0.00 177.39 174.87 1ii9 n SER 293 N 0.12 0.00 -0.76 -1.43 3.41 -0.18 -4.90 113.62 109.88 1ii9 n SER 293 Ca 0.12 -0.55 0.03 0.00 -0.26 0.00 0.00 58.87 58.21 1ii9 n SER 293 Cb 0.65 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.80 1ii9 n SER 293 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ii9 n THR 294 N -0.65 2.29 0.00 6.66 -2.24 -1.26 -4.81 114.28 114.27 1ii9 n THR 294 Ca 0.00 -2.63 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 1ii9 n THR 294 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1ii9 n THR 294 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1ii9 n GLN 295 N -1.08 0.00 -4.22 -0.78 7.27 -1.26 -5.11 117.38 112.20 1ii9 n GLN 295 Ca 0.24 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 57.07 1ii9 n GLN 295 Cb 0.85 0.00 -0.17 0.00 2.41 0.00 0.00 30.24 33.33 1ii9 n GLN 295 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ii9 s ARG 309 N -5.21 1.37 0.54 3.69 0.52 -1.26 -5.18 118.95 113.42 1ii9 s ARG 309 Ca 0.00 -0.25 -0.19 0.00 -0.52 0.00 0.00 55.73 54.76 1ii9 s ARG 309 Cb 0.00 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 34.08 1ii9 s ARG 309 CO 0.00 -0.11 0.61 -0.35 0.02 0.00 0.00 175.30 175.47 1ii9 n PRO 310 N 4.31 0.63 -1.66 3.54 -0.04 -1.26 -4.86 135.00 135.65 1ii9 n PRO 310 Ca -0.19 0.24 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 1ii9 n PRO 310 Cb 0.51 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1ii9 n PRO 310 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ii9 n ASP 311 N 0.48 8.32 -4.14 3.54 2.03 -1.26 -4.89 116.55 120.64 1ii9 n ASP 311 Ca 0.12 -2.88 -0.31 0.00 0.52 0.00 0.00 54.79 52.24 1ii9 n ASP 311 Cb 0.46 -1.45 -0.17 0.00 -0.72 0.00 0.00 41.12 39.24 1ii9 n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1ii9 s ILE 312 N 0.34 1.84 0.86 5.18 -1.09 -1.26 -5.13 121.20 121.94 1ii9 s ILE 312 Ca 0.61 -0.86 -0.10 0.00 -2.23 0.00 0.00 60.65 58.07 1ii9 s ILE 312 Cb 0.19 -1.64 0.11 0.00 -1.58 0.00 0.00 42.46 39.55 1ii9 s ILE 312 CO -0.08 0.51 1.13 -2.84 -1.23 0.00 0.00 174.94 172.43 1ii9 s PRO 313 N 0.78 1.45 0.84 2.79 0.02 -1.26 -4.65 135.00 134.97 1ii9 s PRO 313 Ca -0.09 1.46 -0.12 0.00 0.02 0.00 0.00 61.00 62.27 1ii9 s PRO 313 Cb -0.16 -1.78 0.10 0.00 0.02 0.00 0.00 34.50 32.68 1ii9 s PRO 313 CO 0.00 -2.29 1.10 -1.54 -0.33 0.00 0.00 177.00 173.94 1ii9 s SER 314 N -2.84 4.04 0.43 2.53 1.04 -1.26 -1.70 113.70 115.95 1ii9 s SER 314 Ca 0.66 1.31 0.14 0.00 0.48 0.00 0.00 55.95 58.54 1ii9 s SER 314 Cb -0.22 -2.01 0.93 0.00 0.10 0.00 0.00 66.02 64.83 1ii9 s SER 314 CO 0.56 -2.26 1.96 0.25 0.98 0.00 0.00 173.24 174.73 1ii9 h LEU 315 N -1.29 0.01 -1.62 2.42 6.46 -1.72 -1.53 115.31 118.05 1ii9 h LEU 315 Ca -0.48 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1ii9 h LEU 315 Cb 1.28 -0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.18 1ii9 h LEU 315 CO 0.58 0.23 0.32 -1.28 -0.62 0.00 0.00 178.44 177.68 1ii9 h SER 316 N 0.01 0.42 -0.32 1.25 0.87 -1.67 -0.24 113.55 113.88 1ii9 h SER 316 Ca 0.00 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.43 1ii9 h SER 316 Cb 0.39 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1ii9 h SER 316 CO 0.03 0.28 -0.25 0.00 -0.53 0.00 0.00 176.83 176.36 1ii9 h ALA 317 N 1.73 0.81 -0.35 6.23 0.00 -1.56 -0.84 119.26 125.27 1ii9 h ALA 317 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1ii9 h ALA 317 Cb 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ii9 h ALA 317 CO -0.05 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1ii9 h LEU 318 N 0.70 0.62 -1.16 0.00 3.38 -1.11 -2.93 115.31 114.83 1ii9 h LEU 318 Ca 0.09 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ii9 h LEU 318 Cb 0.79 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1ii9 h LEU 318 CO 0.07 0.79 0.02 0.58 0.09 0.00 0.00 178.44 179.98 1ii9 h VAL 319 N 0.44 1.21 -0.81 1.22 2.07 -1.13 0.27 116.25 119.53 1ii9 h VAL 319 Ca 0.10 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1ii9 h VAL 319 Cb 0.48 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ii9 h VAL 319 CO 0.02 0.29 0.34 -0.78 0.02 0.00 0.00 177.57 177.46 1ii9 h ASP 320 N 0.58 1.10 1.55 0.57 1.82 -1.02 0.35 116.42 121.36 1ii9 h ASP 320 Ca 0.12 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1ii9 h ASP 320 Cb 0.34 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 1ii9 h ASP 320 CO 0.01 0.96 -0.09 0.44 -1.61 0.00 0.00 179.24 178.94 1ii9 h ASP 321 N 1.16 0.00 0.86 2.28 3.32 -1.25 -2.56 116.42 120.24 1ii9 h ASP 321 Ca 0.27 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.11 1ii9 h ASP 321 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1ii9 h ASP 321 CO -0.03 0.09 -1.01 0.40 -1.72 0.00 0.00 179.24 176.98 1ii9 h ILE 322 N 0.00 1.64 0.00 0.35 2.04 -0.13 -3.23 117.51 118.17 1ii9 h ILE 322 Ca -0.00 -3.19 -0.06 0.00 1.00 0.00 0.00 64.86 62.60 1ii9 h ILE 322 Cb 0.89 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 1ii9 h ILE 322 CO 0.01 0.92 -0.29 0.00 0.00 0.00 0.00 178.15 178.79 1ii9 h ALA 323 N 0.94 1.22 -0.84 1.87 0.00 -0.01 -3.35 119.26 119.09 1ii9 h ALA 323 Ca -0.04 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1ii9 h ALA 323 Cb 1.74 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 1ii9 h ALA 323 CO 0.14 0.36 -0.45 0.00 0.00 0.00 0.00 179.25 179.30 1ii9 h ARG 324 N 0.00 -0.08 0.00 0.00 3.08 -1.49 0.14 114.38 116.03 1ii9 h ARG 324 Ca -0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1ii9 h ARG 324 Cb 0.64 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1ii9 h ARG 324 CO 0.04 -0.05 -0.06 -0.91 -1.07 0.00 0.00 179.97 177.91 1ii9 h ASN 325 N -0.09 0.00 -0.31 7.04 -0.26 -1.81 -3.47 115.58 116.68 1ii9 h ASN 325 Ca 0.24 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.84 1ii9 h ASN 325 Cb 0.54 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.74 1ii9 h ASN 325 CO -0.86 0.06 -0.12 -0.62 -1.06 0.00 0.00 177.43 174.82 1ii9 n GLU 326 N -3.27 -0.66 -3.62 0.81 1.02 0.49 -4.96 120.64 110.46 1ii9 n GLU 326 Ca -0.01 0.66 -0.04 0.00 -0.02 0.00 0.00 57.16 57.76 1ii9 n GLU 326 Cb 0.26 -4.47 -0.03 0.00 -0.02 0.00 0.00 31.44 27.17 1ii9 n GLU 326 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1ii9 s HIS 327 N -2.15 -0.09 0.00 -0.32 -3.43 -1.26 -4.75 115.29 103.29 1ii9 s HIS 327 Ca 0.00 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.37 1ii9 s HIS 327 Cb 0.00 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.65 1ii9 s HIS 327 CO 0.00 -0.11 0.00 0.41 -2.00 0.00 0.00 174.74 173.04 1ii9 n GLY 328 N 0.25 3.69 3.57 -1.38 0.00 -0.38 -4.93 105.19 106.02 1ii9 n GLY 328 Ca 0.00 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1ii9 n GLY 328 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ii9 s LEU 329 N 0.00 4.26 -0.42 0.99 2.96 0.03 -1.73 118.68 124.77 1ii9 s LEU 329 Ca 0.00 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.94 1ii9 s LEU 329 Cb 0.00 -2.73 0.06 0.00 0.50 0.00 0.00 46.19 44.02 1ii9 s LEU 329 CO 0.00 -0.54 0.29 -0.63 -1.32 0.00 0.00 176.35 174.15 1ii9 s ILE 330 N 2.60 4.66 -0.28 6.68 -1.09 0.33 -1.05 121.20 133.04 1ii9 s ILE 330 Ca 0.23 -1.14 -0.06 0.00 -2.23 0.00 0.00 60.65 57.45 1ii9 s ILE 330 Cb -0.15 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1ii9 s ILE 330 CO 0.14 -0.46 0.07 -0.04 -1.23 0.00 0.00 174.94 173.42 1ii9 s MET 331 N 1.53 3.14 -0.21 2.79 -1.94 -0.95 -0.55 119.30 123.11 1ii9 s MET 331 Ca 0.03 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 53.01 1ii9 s MET 331 Cb -0.22 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.26 1ii9 s MET 331 CO 0.05 -0.41 0.54 -0.51 -0.01 0.00 0.00 175.02 174.69 1ii9 s LEU 332 N 1.50 4.13 0.32 -0.03 1.02 -0.22 -0.64 118.68 124.76 1ii9 s LEU 332 Ca 0.03 0.69 0.08 0.00 0.02 0.00 0.00 54.13 54.95 1ii9 s LEU 332 Cb -0.17 -2.74 -0.06 0.00 0.02 0.00 0.00 46.19 43.24 1ii9 s LEU 332 CO 0.02 -0.22 -0.08 -0.04 0.02 0.00 0.00 176.35 176.06 1ii9 s MET 333 N 1.79 1.70 0.00 1.70 -1.94 0.20 -2.84 119.30 119.90 1ii9 s MET 333 Ca 0.25 -1.87 0.00 0.00 -1.71 0.00 0.00 55.69 52.36 1ii9 s MET 333 Cb -0.16 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.24 1ii9 s MET 333 CO 0.10 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.60 1ii9 n GLY 334 N -0.70 -0.04 3.76 -0.03 0.00 -1.26 -0.27 105.19 106.66 1ii9 n GLY 334 Ca -0.05 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 1ii9 n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ii9 s LYS 335 N -1.54 -0.40 0.28 1.61 -0.14 -1.26 -4.99 119.74 113.30 1ii9 s LYS 335 Ca 0.00 -0.29 -0.29 0.00 -1.36 0.00 0.00 55.97 54.03 1ii9 s LYS 335 Cb 0.00 -1.71 -0.10 0.00 -1.68 0.00 0.00 37.83 34.34 1ii9 s LYS 335 CO 0.00 -3.13 1.15 0.20 -0.76 0.00 0.00 175.35 172.81 1ii9 s GLY 336 N -4.44 3.03 0.00 -3.33 0.00 -1.26 -3.68 107.32 97.63 1ii9 s GLY 336 Ca 0.73 0.97 0.00 0.00 0.00 0.00 0.00 44.72 46.42 1ii9 s GLY 336 CO 0.55 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.86 1ii9 n GLY 337 N 1.19 2.66 0.00 0.20 0.00 -1.26 -4.88 105.19 103.10 1ii9 n GLY 337 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1ii9 n GLY 337 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ii9 n VAL 338 N -2.00 0.71 0.00 1.61 0.24 -1.24 -4.80 118.33 112.84 1ii9 n VAL 338 Ca 0.00 0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 1ii9 n VAL 338 Cb 0.00 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 1ii9 n VAL 338 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ii9 n GLY 339 N -0.49 1.82 0.25 7.63 0.00 -1.26 -4.72 105.19 108.43 1ii9 n GLY 339 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 1ii9 n GLY 339 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ii9 h LYS 340 N 0.00 -0.31 -0.63 1.61 1.57 -1.87 -0.67 116.57 116.27 1ii9 h LYS 340 Ca 0.00 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ii9 h LYS 340 Cb 0.00 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1ii9 h LYS 340 CO 0.00 -0.21 0.42 1.15 -0.57 0.00 0.00 179.45 180.24 1ii9 h THR 341 N -0.32 1.13 -0.22 -0.16 2.02 -1.95 0.69 112.91 114.09 1ii9 h THR 341 Ca 0.07 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 1ii9 h THR 341 Cb 0.41 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1ii9 h THR 341 CO -0.21 0.15 -0.26 0.74 0.37 0.00 0.00 175.52 176.32 1ii9 h THR 342 N 0.81 1.32 -0.56 3.16 2.02 -1.86 -1.48 112.91 116.33 1ii9 h THR 342 Ca 0.24 -1.44 -0.08 0.00 0.77 0.00 0.00 66.41 65.91 1ii9 h THR 342 Cb -0.03 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 1ii9 h THR 342 CO -0.06 0.44 0.05 0.24 0.37 0.00 0.00 175.52 176.56 1ii9 h MET 343 N 0.26 0.92 -0.02 6.66 2.07 -0.56 -0.80 114.93 123.46 1ii9 h MET 343 Ca 0.03 -0.25 -0.05 0.00 -2.07 0.00 0.00 59.70 57.37 1ii9 h MET 343 Cb 0.82 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 1ii9 h MET 343 CO 0.06 0.89 -0.22 0.00 1.07 0.00 0.00 176.91 178.71 1ii9 h ALA 344 N 1.18 1.59 0.22 6.32 0.00 -0.76 -0.67 119.26 127.14 1ii9 h ALA 344 Ca 0.17 -0.21 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1ii9 h ALA 344 Cb 0.44 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.22 1ii9 h ALA 344 CO 0.02 0.30 -1.42 0.00 0.00 0.00 0.00 179.25 178.15 1ii9 h ALA 345 N 1.75 -0.07 -0.20 0.00 0.00 -0.75 -2.52 119.26 117.47 1ii9 h ALA 345 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 1ii9 h ALA 345 Cb 0.41 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ii9 h ALA 345 CO 0.03 0.79 0.09 0.00 0.00 0.00 0.00 179.25 180.16 1ii9 h ALA 346 N 0.29 0.26 -0.16 0.00 0.00 -0.88 0.38 119.26 119.14 1ii9 h ALA 346 Ca -0.22 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ii9 h ALA 346 Cb 2.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 1ii9 h ALA 346 CO 0.25 -0.18 0.09 0.82 0.00 0.00 0.00 179.25 180.23 1ii9 h ILE 347 N 0.19 1.10 -0.82 0.00 2.04 -1.22 -0.15 117.51 118.65 1ii9 h ILE 347 Ca 0.07 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1ii9 h ILE 347 Cb 0.13 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1ii9 h ILE 347 CO -0.01 0.09 0.49 0.00 0.00 0.00 0.00 178.15 178.72 1ii9 h ALA 348 N 0.99 1.05 -0.49 1.87 0.00 -1.32 -0.11 119.26 121.26 1ii9 h ALA 348 Ca 0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ii9 h ALA 348 Cb 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ii9 h ALA 348 CO -0.01 0.52 0.19 0.28 0.00 0.00 0.00 179.25 180.23 1ii9 h VAL 349 N 1.13 1.21 -0.29 0.00 2.07 -0.67 -1.17 116.25 118.53 1ii9 h VAL 349 Ca 0.29 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1ii9 h VAL 349 Cb -0.04 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ii9 h VAL 349 CO -0.05 0.25 0.08 -0.09 0.02 0.00 0.00 177.57 177.78 1ii9 h ARG 350 N 0.65 0.46 -0.71 1.57 9.65 -0.57 -1.42 114.38 124.00 1ii9 h ARG 350 Ca 0.16 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 1ii9 h ARG 350 Cb 0.21 -0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1ii9 h ARG 350 CO -0.01 0.53 0.43 -0.07 2.80 0.00 0.00 179.97 183.65 1ii9 h LEU 351 N 0.31 0.69 -0.47 3.80 4.07 -0.94 -1.47 115.31 121.30 1ii9 h LEU 351 Ca 0.09 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1ii9 h LEU 351 Cb 0.26 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1ii9 h LEU 351 CO -0.00 0.47 -0.01 0.00 -1.08 0.00 0.00 178.44 177.81 1ii9 h ALA 352 N 1.33 0.64 0.00 1.53 0.00 -0.98 -1.86 119.26 119.91 1ii9 h ALA 352 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ii9 h ALA 352 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ii9 h ALA 352 CO -0.14 0.45 0.00 -0.25 0.00 0.00 0.00 179.25 179.32 1ii9 n ASP 353 N -4.34 0.00 -0.41 0.00 10.43 -0.56 -1.03 116.55 120.64 1ii9 n ASP 353 Ca 0.00 0.29 0.14 0.00 2.57 0.00 0.00 54.79 57.79 1ii9 n ASP 353 Cb 0.32 -0.40 0.47 0.00 1.84 0.00 0.00 41.12 43.36 1ii9 n ASP 353 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1ii9 n MET 354 N -1.40 1.41 0.00 -1.24 2.81 -0.59 -4.94 117.12 113.17 1ii9 n MET 354 Ca 0.06 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.12 1ii9 n MET 354 Cb 0.15 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1ii9 n MET 354 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ii9 n GLY 355 N 1.23 0.74 3.90 3.03 0.00 -0.20 -5.09 105.19 108.80 1ii9 n GLY 355 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ii9 n GLY 355 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ii9 s PHE 356 N -2.00 3.48 -0.05 1.61 0.08 -1.11 -5.03 117.98 114.96 1ii9 s PHE 356 Ca 0.00 0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 1ii9 s PHE 356 Cb 0.00 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.66 1ii9 s PHE 356 CO 0.00 0.58 1.50 -0.51 -0.10 0.00 0.00 175.22 176.69 1ii9 s ASP 357 N -2.49 6.77 -0.04 1.36 -0.00 -1.26 -4.23 116.67 116.78 1ii9 s ASP 357 Ca 0.34 2.11 0.05 0.00 -0.00 0.00 0.00 52.55 55.05 1ii9 s ASP 357 Cb -0.13 -2.54 -0.00 0.00 -0.00 0.00 0.00 42.92 40.24 1ii9 s ASP 357 CO 0.27 -0.83 -0.18 -0.69 -0.00 0.00 0.00 175.17 173.74 1ii9 s VAL 358 N 3.32 1.51 -0.32 -1.27 1.01 -0.95 -2.39 120.40 121.30 1ii9 s VAL 358 Ca 0.67 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.90 1ii9 s VAL 358 Cb -0.31 -1.29 0.08 0.00 0.00 0.00 0.00 36.38 34.86 1ii9 s VAL 358 CO 0.26 0.43 0.03 -2.28 0.00 0.00 0.00 175.10 173.54 1ii9 s HIS 359 N 0.00 3.53 0.10 5.22 2.46 -0.33 -1.76 115.29 124.51 1ii9 s HIS 359 Ca -0.04 -2.55 -0.20 0.00 0.47 0.00 0.00 55.06 52.74 1ii9 s HIS 359 Cb -0.12 -2.59 -0.07 0.00 -0.13 0.00 0.00 32.58 29.68 1ii9 s HIS 359 CO 0.02 -0.91 0.62 -1.17 -2.47 0.00 0.00 174.74 170.83 1ii9 s LEU 360 N 1.05 4.53 -0.11 8.88 2.96 -0.79 -1.28 118.68 133.92 1ii9 s LEU 360 Ca 0.03 1.34 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1ii9 s LEU 360 Cb -0.20 -3.02 0.02 0.00 0.50 0.00 0.00 46.19 43.49 1ii9 s LEU 360 CO -0.05 0.25 -0.14 0.42 -1.32 0.00 0.00 176.35 175.51 1ii9 s THR 361 N -1.15 1.39 0.37 3.68 -4.23 0.93 -1.15 115.64 115.48 1ii9 s THR 361 Ca 0.31 -0.57 0.09 0.00 -1.18 0.00 0.00 61.69 60.34 1ii9 s THR 361 Cb -0.20 -1.29 -0.07 0.00 1.34 0.00 0.00 72.50 72.28 1ii9 s THR 361 CO 0.21 0.42 -0.06 0.28 -0.54 0.00 0.00 174.62 174.93 1ii9 s THR 362 N 1.08 2.14 -0.18 3.99 -1.32 -0.24 -3.11 115.64 118.00 1ii9 s THR 362 Ca -0.05 -2.13 0.16 0.00 -1.21 0.00 0.00 61.69 58.46 1ii9 s THR 362 Cb -0.15 -2.77 0.45 0.00 -1.51 0.00 0.00 72.50 68.53 1ii9 s THR 362 CO -0.03 -0.13 1.18 -1.54 -2.21 0.00 0.00 174.62 171.89 1ii9 n SER 363 N -0.85 2.24 -3.64 8.08 3.41 -1.26 -1.93 113.62 119.67 1ii9 n SER 363 Ca -0.05 -3.04 -0.09 0.00 -0.26 0.00 0.00 58.87 55.43 1ii9 n SER 363 Cb 0.65 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 1ii9 n SER 363 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ii9 s ASP 364 N -3.10 -0.55 -0.09 4.04 2.15 -1.26 -4.70 116.67 113.16 1ii9 s ASP 364 Ca 0.38 1.03 -0.29 0.00 0.43 0.00 0.00 52.55 54.10 1ii9 s ASP 364 Cb 0.38 1.08 -0.06 0.00 -0.30 0.00 0.00 42.92 44.02 1ii9 s ASP 364 CO -0.07 -0.18 1.82 -2.16 -0.17 0.00 0.00 175.17 174.42 1ii9 s PRO 365 N 0.48 3.94 0.00 4.34 0.04 -1.26 -4.92 135.00 137.61 1ii9 s PRO 365 Ca 0.00 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1ii9 s PRO 365 Cb -0.05 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1ii9 s PRO 365 CO -0.07 -1.16 0.00 0.00 0.04 0.00 0.00 177.00 175.82 1ii9 n ALA 366 N 8.19 0.26 0.00 8.56 0.00 -1.26 -5.18 120.51 131.08 1ii9 n ALA 366 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ii9 n ALA 366 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1ii9 n ALA 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ii9 n ALA 367 N -3.00 0.00 -0.46 0.00 0.00 -1.26 -5.16 120.51 110.63 1ii9 n ALA 367 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ii9 n ALA 367 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ii9 n ALA 367 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ii9 n HIS 368 N -0.26 -0.24 0.00 0.00 8.25 -1.26 -5.10 115.22 116.62 1ii9 n HIS 368 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ii9 n HIS 368 Cb 0.00 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1ii9 n HIS 368 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ii9 n LEU 377 N 0.00 0.00 0.00 2.41 7.99 -1.26 -4.80 117.00 121.34 1ii9 n LEU 377 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 56.01 56.01 1ii9 n LEU 377 Cb 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.37 1ii9 n LEU 377 CO 0.00 0.00 0.29 -0.46 -1.51 0.00 0.00 177.39 175.71 1ii9 n ASN 378 N 0.00 0.00 0.03 -1.43 0.23 -1.26 -1.72 115.26 111.11 1ii9 n ASN 378 Ca 0.00 -0.91 0.11 0.00 -0.53 0.00 0.00 54.58 53.25 1ii9 n ASN 378 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1ii9 n ASN 378 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1ii9 n ASN 379 N -0.56 0.60 -4.23 0.53 5.15 -1.26 -4.85 115.26 110.64 1ii9 n ASN 379 Ca 0.01 -0.18 -0.33 0.00 -0.60 0.00 0.00 54.58 53.49 1ii9 n ASN 379 Cb 0.01 0.82 -0.16 0.00 -0.53 0.00 0.00 39.78 39.92 1ii9 n ASN 379 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1ii9 s LEU 380 N -4.01 2.33 -0.04 1.20 2.96 -0.70 -2.24 118.68 118.17 1ii9 s LEU 380 Ca 0.03 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 1ii9 s LEU 380 Cb 0.14 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 1ii9 s LEU 380 CO 0.80 0.09 -0.15 0.00 -1.32 0.00 0.00 176.35 175.77 1ii9 s GLN 381 N 0.79 2.43 -0.11 1.98 -2.07 -0.72 -4.87 119.66 117.09 1ii9 s GLN 381 Ca -0.07 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 52.76 1ii9 s GLN 381 Cb -0.15 -2.33 -0.01 0.00 -1.09 0.00 0.00 33.01 29.42 1ii9 s GLN 381 CO -0.00 0.61 -0.19 0.08 -1.32 0.00 0.00 175.29 174.47 1ii9 s VAL 382 N -0.74 2.53 -0.25 3.63 1.01 -1.26 -1.89 120.40 123.42 1ii9 s VAL 382 Ca 0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1ii9 s VAL 382 Cb -0.11 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 1ii9 s VAL 382 CO 0.01 0.55 0.01 -0.44 0.00 0.00 0.00 175.10 175.23 1ii9 s SER 383 N 0.27 4.71 -0.24 3.32 0.01 -0.30 -5.00 113.70 116.47 1ii9 s SER 383 Ca -0.13 -0.46 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 1ii9 s SER 383 Cb -0.17 -1.81 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 1ii9 s SER 383 CO 0.07 -0.08 0.11 -0.13 0.41 0.00 0.00 173.24 173.62 1ii9 s ARG 384 N 1.50 3.84 0.01 12.44 0.52 -1.26 -1.08 118.95 134.92 1ii9 s ARG 384 Ca 0.05 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.91 1ii9 s ARG 384 Cb -0.15 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.89 1ii9 s ARG 384 CO -0.00 -0.05 -0.09 0.96 0.02 0.00 0.00 175.30 176.13 1ii9 s ILE 385 N 1.29 3.44 -0.43 1.52 -4.36 -0.81 -4.99 121.20 116.86 1ii9 s ILE 385 Ca 0.06 -0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 59.42 1ii9 s ILE 385 Cb -0.15 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1ii9 s ILE 385 CO 0.05 0.39 0.45 -0.62 0.24 0.00 0.00 174.94 175.45 1ii9 s ASP 386 N -1.38 6.20 0.41 4.36 2.15 -1.26 -4.30 116.67 122.86 1ii9 s ASP 386 Ca 0.16 -0.68 0.08 0.00 0.43 0.00 0.00 52.55 52.54 1ii9 s ASP 386 Cb -0.11 -2.23 0.88 0.00 -0.30 0.00 0.00 42.92 41.16 1ii9 s ASP 386 CO 0.07 -0.60 2.05 1.55 -0.17 0.00 0.00 175.17 178.07 1ii9 h PRO 387 N 8.74 0.52 -0.12 4.34 0.13 -1.96 -1.87 132.00 141.78 1ii9 h PRO 387 Ca -0.26 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1ii9 h PRO 387 Cb 1.11 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 1ii9 h PRO 387 CO 0.81 0.35 -0.13 0.45 -0.23 0.00 0.00 178.00 179.24 1ii9 h HIS 388 N 0.54 -0.33 0.00 1.56 3.86 -1.97 0.77 115.15 119.58 1ii9 h HIS 388 Ca 0.17 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.24 1ii9 h HIS 388 Cb 0.01 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1ii9 h HIS 388 CO -0.00 -0.20 -0.76 1.05 0.86 0.00 0.00 177.93 178.88 1ii9 h GLU 389 N -0.16 0.00 -0.25 2.45 4.11 -1.92 -2.16 114.58 116.65 1ii9 h GLU 389 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 1ii9 h GLU 389 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ii9 h GLU 389 CO -0.22 0.76 0.03 0.93 0.07 0.00 0.00 179.01 180.58 1ii9 h GLU 390 N 0.00 0.42 -0.69 1.06 4.39 -0.73 -1.69 114.58 117.34 1ii9 h GLU 390 Ca -0.01 -0.12 0.02 0.00 0.34 0.00 0.00 59.36 59.60 1ii9 h GLU 390 Cb 1.36 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.92 1ii9 h GLU 390 CO 0.10 0.56 0.44 1.15 -1.16 0.00 0.00 179.01 180.10 1ii9 h THR 391 N 0.22 1.11 -0.19 1.13 2.02 0.61 -2.07 112.91 115.74 1ii9 h THR 391 Ca 0.07 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 1ii9 h THR 391 Cb 0.35 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1ii9 h THR 391 CO 0.01 0.16 -0.10 -0.33 0.37 0.00 0.00 175.52 175.63 1ii9 h GLU 392 N 0.87 0.30 -0.34 6.66 4.39 -1.13 0.20 114.58 125.53 1ii9 h GLU 392 Ca 0.27 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 1ii9 h GLU 392 Cb -0.01 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1ii9 h GLU 392 CO -0.09 0.41 -0.35 -0.09 -1.16 0.00 0.00 179.01 177.73 1ii9 h ARG 393 N 0.29 0.83 0.11 2.33 2.43 -0.93 -0.78 114.38 118.65 1ii9 h ARG 393 Ca 0.06 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1ii9 h ARG 393 Cb 0.36 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1ii9 h ARG 393 CO 0.02 1.08 -0.05 -0.92 -1.51 0.00 0.00 179.97 178.58 1ii9 h TYR 394 N 0.61 -0.14 -0.30 2.20 3.20 -0.88 0.14 116.97 121.80 1ii9 h TYR 394 Ca 0.05 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1ii9 h TYR 394 Cb 0.93 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.20 1ii9 h TYR 394 CO 0.07 0.16 -0.00 0.00 -1.64 0.00 0.00 178.16 176.75 1ii9 h ARG 395 N -0.45 0.08 -0.10 1.82 3.08 -0.62 -0.35 114.38 117.85 1ii9 h ARG 395 Ca -0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1ii9 h ARG 395 Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1ii9 h ARG 395 CO 0.03 0.06 -0.15 0.37 -1.07 0.00 0.00 179.97 179.21 1ii9 h GLN 396 N 0.09 -0.19 -0.91 0.04 4.15 -1.07 -1.69 115.11 115.53 1ii9 h GLN 396 Ca 0.14 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.70 1ii9 h GLN 396 Cb 0.19 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 1ii9 h GLN 396 CO -0.24 -0.13 0.58 1.25 -1.93 0.00 0.00 178.83 178.37 1ii9 h HIS 397 N -0.19 0.93 0.00 3.99 2.76 0.01 -0.77 115.15 121.88 1ii9 h HIS 397 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1ii9 h HIS 397 Cb 0.31 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1ii9 h HIS 397 CO -0.25 0.38 0.00 0.28 -1.30 0.00 0.00 177.93 177.05 1ii9 h VAL 398 N 0.83 0.00 0.00 5.26 2.07 -0.30 -3.11 116.25 120.99 1ii9 h VAL 398 Ca 0.44 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ii9 h VAL 398 Cb 0.55 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1ii9 h VAL 398 CO -0.21 0.00 -0.24 0.18 0.02 0.00 0.00 177.57 177.32 1ii9 n LEU 399 N -2.54 0.62 -0.05 2.57 4.77 -0.30 -2.07 117.00 120.00 1ii9 n LEU 399 Ca 0.04 0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 56.20 1ii9 n LEU 399 Cb 0.40 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 1ii9 n LEU 399 CO 0.29 -0.08 -0.82 1.21 -1.33 0.00 0.00 177.39 176.65 1ii9 n GLU 400 N -2.02 0.68 0.04 3.23 2.13 -1.19 -3.25 120.64 120.25 1ii9 n GLU 400 Ca 0.05 0.35 -0.01 0.00 0.66 0.00 0.00 57.16 58.21 1ii9 n GLU 400 Cb 0.41 -1.69 -0.01 0.00 0.27 0.00 0.00 31.44 30.43 1ii9 n GLU 400 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1ii9 h THR 401 N -0.35 0.00 0.15 6.31 2.02 -1.61 -3.35 112.91 116.08 1ii9 h THR 401 Ca -0.44 0.00 -0.33 0.00 0.77 0.00 0.00 66.41 66.41 1ii9 h THR 401 Cb 1.76 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 1ii9 h THR 401 CO -0.06 0.00 -1.72 0.11 0.37 0.00 0.00 175.52 174.22 1ii9 h LYS 402 N -0.09 0.32 -0.03 6.66 1.57 -1.66 -3.37 116.57 119.97 1ii9 h LYS 402 Ca -0.01 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.23 1ii9 h LYS 402 Cb 0.07 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ii9 h LYS 402 CO 0.01 1.26 0.10 0.78 -0.57 0.00 0.00 179.45 181.03 1ii9 h GLY 403 N 0.58 0.00 0.00 3.86 0.00 -1.61 -3.37 103.07 102.53 1ii9 h GLY 403 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1ii9 h GLY 403 CO 0.12 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.94 1ii9 n LYS 404 N -3.31 0.00 -0.01 4.80 4.76 -1.25 -1.04 118.16 122.11 1ii9 n LYS 404 Ca -0.02 0.08 0.13 0.00 -2.87 0.00 0.00 58.31 55.64 1ii9 n LYS 404 Cb 0.18 -0.14 0.42 0.00 -1.84 0.00 0.00 35.03 33.64 1ii9 n LYS 404 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ii9 n GLU 405 N -1.23 1.83 -1.30 1.97 4.71 -1.26 -4.95 120.64 120.41 1ii9 n GLU 405 Ca 0.00 -1.21 -0.32 0.00 -0.01 0.00 0.00 57.16 55.62 1ii9 n GLU 405 Cb 0.00 -1.47 0.10 0.00 -1.01 0.00 0.00 31.44 29.06 1ii9 n GLU 405 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1ii9 s LEU 406 N -1.96 3.13 0.65 -4.62 1.02 -0.20 -5.04 118.68 111.66 1ii9 s LEU 406 Ca 0.35 2.04 -0.01 0.00 0.02 0.00 0.00 54.13 56.53 1ii9 s LEU 406 Cb 0.21 -4.55 0.08 0.00 0.02 0.00 0.00 46.19 41.94 1ii9 s LEU 406 CO 0.32 -2.20 0.91 1.51 0.02 0.00 0.00 176.35 176.91 1ii9 s ASP 407 N -2.80 4.80 0.26 2.29 -4.77 -1.26 -4.83 116.67 110.36 1ii9 s ASP 407 Ca 0.66 -0.08 -0.01 0.00 -3.30 0.00 0.00 52.55 49.82 1ii9 s ASP 407 Cb -0.21 -0.55 0.49 0.00 -1.09 0.00 0.00 42.92 41.55 1ii9 s ASP 407 CO 0.51 -1.52 1.82 -0.33 0.70 0.00 0.00 175.17 176.34 1ii9 h GLU 408 N -0.29 0.86 -0.80 2.11 4.39 -1.97 -0.88 114.58 117.99 1ii9 h GLU 408 Ca -0.40 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1ii9 h GLU 408 Cb 1.29 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 1ii9 h GLU 408 CO 0.48 0.57 0.34 0.00 -1.16 0.00 0.00 179.01 179.24 1ii9 h ALA 409 N 1.51 1.10 -0.30 3.43 0.00 -1.99 -2.44 119.26 120.56 1ii9 h ALA 409 Ca 0.45 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1ii9 h ALA 409 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ii9 h ALA 409 CO -0.27 0.66 -0.43 0.78 0.00 0.00 0.00 179.25 179.99 1ii9 h GLY 410 N 1.17 0.81 1.09 0.00 0.00 -1.65 -2.48 103.07 102.01 1ii9 h GLY 410 Ca 0.27 -0.84 0.02 0.00 0.00 0.00 0.00 47.33 46.77 1ii9 h GLY 410 CO -0.03 0.76 0.59 0.50 0.00 0.00 0.00 176.54 178.36 1ii9 h LYS 411 N 0.60 1.14 -0.34 4.80 1.57 -0.95 0.13 116.57 123.53 1ii9 h LYS 411 Ca 0.04 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1ii9 h LYS 411 Cb 0.98 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1ii9 h LYS 411 CO 0.09 0.76 -0.11 0.00 -0.57 0.00 0.00 179.45 179.62 1ii9 h ARG 412 N 1.18 0.58 -0.31 3.15 2.47 -1.23 0.30 114.38 120.52 1ii9 h ARG 412 Ca 0.34 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.83 1ii9 h ARG 412 Cb -0.09 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.16 1ii9 h ARG 412 CO -0.08 0.69 -0.01 1.25 0.56 0.00 0.00 179.97 182.38 1ii9 h LEU 413 N 0.54 0.54 -1.19 3.04 5.85 -0.72 -1.52 115.31 121.86 1ii9 h LEU 413 Ca 0.10 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1ii9 h LEU 413 Cb 0.51 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ii9 h LEU 413 CO 0.03 0.72 0.20 0.25 -0.34 0.00 0.00 178.44 179.30 1ii9 h LEU 414 N 0.35 0.69 -0.76 2.25 7.12 -0.11 -1.40 115.31 123.46 1ii9 h LEU 414 Ca 0.09 -0.09 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1ii9 h LEU 414 Cb 0.45 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.39 1ii9 h LEU 414 CO 0.02 0.64 -0.31 -0.33 -0.13 0.00 0.00 178.44 178.32 1ii9 h GLU 415 N 0.75 0.00 0.00 1.25 5.08 -0.22 -1.97 114.58 119.48 1ii9 h GLU 415 Ca 0.18 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 1ii9 h GLU 415 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1ii9 h GLU 415 CO -0.02 0.31 -1.06 1.49 -1.00 0.00 0.00 179.01 178.73 1ii9 h GLU 416 N 0.00 0.00 -0.21 2.33 4.57 -0.60 -3.10 114.58 117.57 1ii9 h GLU 416 Ca -0.00 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 1ii9 h GLU 416 Cb 0.94 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.52 1ii9 h GLU 416 CO 0.04 0.90 -0.44 0.22 -1.18 0.00 0.00 179.01 178.55 1ii9 h ASP 417 N 0.00 0.56 -0.02 1.04 3.58 -1.08 -2.20 116.42 118.29 1ii9 h ASP 417 Ca -0.05 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1ii9 h ASP 417 Cb 1.78 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.67 1ii9 h ASP 417 CO 0.12 0.92 0.00 0.18 -2.88 0.00 0.00 179.24 177.58 1ii9 n LEU 418 N -4.01 0.84 -0.40 2.28 4.77 -0.76 -1.56 117.00 118.16 1ii9 n LEU 418 Ca -0.02 -0.42 0.04 0.00 -0.03 0.00 0.00 56.01 55.58 1ii9 n LEU 418 Cb 0.54 -0.35 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1ii9 n LEU 418 CO 0.45 0.19 0.47 -1.14 -1.33 0.00 0.00 177.39 176.03 1ii9 n ARG 419 N -0.12 1.20 -1.59 3.23 3.00 -0.83 -4.87 116.66 116.68 1ii9 n ARG 419 Ca 0.01 -1.35 -0.33 0.00 -0.00 0.00 0.00 57.85 56.18 1ii9 n ARG 419 Cb 0.20 -1.18 0.06 0.00 0.00 0.00 0.00 32.46 31.54 1ii9 n ARG 419 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ii9 s SER 420 N -0.83 4.82 0.22 6.15 0.01 -0.60 -4.94 113.70 118.52 1ii9 s SER 420 Ca 0.13 2.01 -0.08 0.00 1.31 0.00 0.00 55.95 59.33 1ii9 s SER 420 Cb 0.08 -2.55 0.29 0.00 0.21 0.00 0.00 66.02 64.05 1ii9 s SER 420 CO 0.11 -1.83 1.81 -0.65 0.41 0.00 0.00 173.24 173.10 1ii9 h PRO 421 N -0.28 0.70 0.00 12.44 0.11 -1.95 -2.02 132.00 140.99 1ii9 h PRO 421 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ii9 h PRO 421 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ii9 h PRO 421 CO 0.53 0.46 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 1ii9 h THR 423 N 0.00 1.26 -0.27 0.00 2.02 -1.69 0.34 112.91 114.57 1ii9 h THR 423 Ca 0.00 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.20 1ii9 h THR 423 Cb 0.29 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1ii9 h THR 423 CO 0.00 0.30 0.04 -0.08 0.37 0.00 0.00 175.52 176.15 1ii9 h GLU 424 N 0.24 0.44 -0.46 6.66 4.81 -1.65 -0.79 114.58 123.83 1ii9 h GLU 424 Ca 0.07 -0.12 0.09 0.00 -0.13 0.00 0.00 59.36 59.28 1ii9 h GLU 424 Cb 0.44 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.67 1ii9 h GLU 424 CO 0.02 0.56 -0.20 1.49 -0.73 0.00 0.00 179.01 180.14 1ii9 h GLU 425 N 0.26 -0.10 -0.04 1.92 4.81 -1.38 0.32 114.58 120.37 1ii9 h GLU 425 Ca 0.08 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ii9 h GLU 425 Cb 0.33 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1ii9 h GLU 425 CO 0.01 -0.07 -0.02 0.82 -0.73 0.00 0.00 179.01 179.02 1ii9 h ILE 426 N -0.10 1.32 -0.35 2.32 2.04 -0.20 -2.33 117.51 120.20 1ii9 h ILE 426 Ca 0.22 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.14 1ii9 h ILE 426 Cb 0.44 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 1ii9 h ILE 426 CO -0.53 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.01 1ii9 h ALA 427 N 0.62 0.40 -0.64 1.87 0.00 -0.62 -1.61 119.26 119.28 1ii9 h ALA 427 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ii9 h ALA 427 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ii9 h ALA 427 CO 0.01 -0.27 0.24 0.28 0.00 0.00 0.00 179.25 179.51 1ii9 h VAL 428 N 0.27 1.24 0.00 0.00 2.07 -0.43 -2.34 116.25 117.07 1ii9 h VAL 428 Ca 0.16 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 1ii9 h VAL 428 Cb 0.13 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ii9 h VAL 428 CO -0.16 0.30 -0.14 0.15 0.02 0.00 0.00 177.57 177.74 1ii9 h PHE 429 N 0.91 0.00 0.00 1.57 3.04 -1.00 0.05 116.94 121.51 1ii9 h PHE 429 Ca 0.21 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.07 1ii9 h PHE 429 Cb 0.23 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.73 1ii9 h PHE 429 CO 0.02 0.14 -0.44 1.96 -2.02 0.00 0.00 178.31 177.97 1ii9 h GLN 430 N 0.00 0.00 -0.01 1.11 4.20 -0.93 -1.24 115.11 118.25 1ii9 h GLN 430 Ca -0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1ii9 h GLN 430 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 1ii9 h GLN 430 CO 0.02 0.44 -0.50 0.00 -0.67 0.00 0.00 178.83 178.12 1ii9 h ALA 431 N 1.56 0.07 -0.25 3.87 0.00 -0.75 -3.25 119.26 120.52 1ii9 h ALA 431 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1ii9 h ALA 431 Cb 1.25 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ii9 h ALA 431 CO 0.06 0.28 0.11 0.74 0.00 0.00 0.00 179.25 180.43 1ii9 h PHE 432 N -0.20 0.20 -0.54 0.00 0.05 -1.00 -1.30 116.94 114.15 1ii9 h PHE 432 Ca -0.06 0.01 0.16 0.00 3.82 0.00 0.00 57.97 61.90 1ii9 h PHE 432 Cb 1.22 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 39.09 1ii9 h PHE 432 CO 0.15 0.11 0.72 0.77 -0.18 0.00 0.00 178.31 179.89 1ii9 h SER 433 N 0.24 0.00 -0.58 2.17 0.02 -1.26 0.37 113.55 114.50 1ii9 h SER 433 Ca 0.10 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.18 1ii9 h SER 433 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1ii9 h SER 433 CO -0.08 0.00 0.40 0.03 -1.14 0.00 0.00 176.83 176.04 1ii9 h ARG 434 N 0.00 0.26 0.00 3.45 -0.00 -1.27 -2.64 114.38 114.18 1ii9 h ARG 434 Ca 0.26 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 1ii9 h ARG 434 Cb 1.70 -0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.61 1ii9 h ARG 434 CO -0.00 0.17 -1.60 1.33 0.00 0.00 0.00 179.97 179.87 1ii9 n VAL 435 N -4.45 0.00 0.18 2.04 0.24 0.13 -4.51 118.33 111.96 1ii9 n VAL 435 Ca 0.10 -0.34 0.11 0.00 -2.04 0.00 0.00 64.34 62.18 1ii9 n VAL 435 Cb 0.47 0.25 0.31 0.00 -1.47 0.00 0.00 33.84 33.40 1ii9 n VAL 435 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1ii9 h ILE 436 N 0.00 0.03 -0.91 1.34 2.04 -1.17 0.75 117.51 119.58 1ii9 h ILE 436 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1ii9 h ILE 436 Cb 0.69 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.87 1ii9 h ILE 436 CO 0.00 0.00 0.56 0.08 0.00 0.00 0.00 178.15 178.79 1ii9 h ARG 437 N 0.00 0.91 0.00 2.37 0.11 -1.79 -2.40 114.38 113.57 1ii9 h ARG 437 Ca 0.13 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1ii9 h ARG 437 Cb 1.91 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 32.78 1ii9 h ARG 437 CO -0.00 0.60 0.00 0.39 0.10 0.00 0.00 179.97 181.06 1ii9 n GLU 438 N -4.65 0.37 0.19 0.08 1.02 0.26 -3.66 120.64 114.24 1ii9 n GLU 438 Ca 0.15 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.45 1ii9 n GLU 438 Cb 0.27 -1.50 0.45 0.00 -0.02 0.00 0.00 31.44 30.64 1ii9 n GLU 438 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ii9 h ALA 439 N 3.03 1.19 0.07 0.62 0.00 -1.61 -2.06 119.26 120.49 1ii9 h ALA 439 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ii9 h ALA 439 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ii9 h ALA 439 CO 0.00 -0.19 -0.03 0.78 0.00 0.00 0.00 179.25 179.81 1ii9 h GLY 440 N 0.00 -0.10 1.29 0.00 0.00 -1.82 -3.22 103.07 99.22 1ii9 h GLY 440 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 1ii9 h GLY 440 CO 0.00 -0.03 -0.89 0.50 0.00 0.00 0.00 176.54 176.11 1ii9 h LYS 441 N -0.86 0.67 0.00 4.80 6.56 -1.69 -3.46 116.57 122.58 1ii9 h LYS 441 Ca -0.01 -0.63 0.00 0.00 -1.06 0.00 0.00 60.65 58.96 1ii9 h LYS 441 Cb 0.62 0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1ii9 h LYS 441 CO 0.02 1.23 0.00 2.89 -2.06 0.00 0.00 179.45 181.53 1ii9 n ARG 442 N -3.87 1.40 -4.53 3.15 1.85 -1.01 -4.87 116.66 108.77 1ii9 n ARG 442 Ca -0.08 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.43 1ii9 n ARG 442 Cb 0.80 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 32.11 1ii9 n ARG 442 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ii9 s PHE 443 N 1.21 2.98 -0.11 2.89 0.40 -1.01 -1.25 117.98 123.10 1ii9 s PHE 443 Ca 0.00 0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 1ii9 s PHE 443 Cb 0.00 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.84 1ii9 s PHE 443 CO 0.00 0.37 -0.12 0.08 0.70 0.00 0.00 175.22 176.25 1ii9 s VAL 444 N -0.87 1.25 -0.13 -0.44 1.01 -0.71 -1.18 120.40 119.33 1ii9 s VAL 444 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ii9 s VAL 444 Cb -0.11 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 1ii9 s VAL 444 CO 0.03 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.69 1ii9 s VAL 445 N 1.24 2.81 0.07 2.92 1.01 -0.40 0.12 120.40 128.17 1ii9 s VAL 445 Ca -0.03 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1ii9 s VAL 445 Cb -0.14 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 1ii9 s VAL 445 CO -0.04 0.52 -0.26 -0.04 0.00 0.00 0.00 175.10 175.29 1ii9 s MET 446 N 0.49 1.60 0.00 2.72 -1.94 0.29 -0.05 119.30 122.41 1ii9 s MET 446 Ca -0.10 -1.16 0.23 0.00 -1.71 0.00 0.00 55.69 52.94 1ii9 s MET 446 Cb -0.16 -1.87 0.48 0.00 2.01 0.00 0.00 34.83 35.29 1ii9 s MET 446 CO 0.05 0.47 1.44 -0.40 -0.01 0.00 0.00 175.02 176.56 1ii9 n ASP 447 N 1.50 3.61 -3.52 3.03 5.68 -1.18 -1.06 116.55 124.61 1ii9 n ASP 447 Ca -0.17 -1.99 -0.14 0.00 -0.50 0.00 0.00 54.79 51.98 1ii9 n ASP 447 Cb 0.52 -0.32 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 1ii9 n ASP 447 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1ii9 s THR 448 N -1.34 0.00 0.09 2.12 -1.32 -1.13 -4.33 115.64 109.72 1ii9 s THR 448 Ca 0.41 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.80 1ii9 s THR 448 Cb 0.23 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1ii9 s THR 448 CO 0.32 0.00 0.21 0.00 -2.21 0.00 0.00 174.62 172.94 1ii9 s ALA 449 N -1.70 -0.31 0.84 11.08 0.00 -1.26 -4.87 121.76 125.54 1ii9 s ALA 449 Ca -0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1ii9 s ALA 449 Cb -0.00 0.49 0.10 0.00 0.00 0.00 0.00 23.12 23.70 1ii9 s ALA 449 CO 0.03 -0.51 1.09 -2.14 0.00 0.00 0.00 175.76 174.23 1ii9 s PRO 450 N -3.72 1.73 0.78 0.00 0.02 -1.26 -4.94 135.00 127.60 1ii9 s PRO 450 Ca 0.04 0.76 -0.12 0.00 0.02 0.00 0.00 61.00 61.70 1ii9 s PRO 450 Cb 0.04 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.75 1ii9 s PRO 450 CO -0.10 -1.90 1.12 0.95 -0.33 0.00 0.00 177.00 176.73 1ii9 s THR 451 N -3.03 2.93 0.17 0.99 -4.23 -1.26 -4.79 115.64 106.42 1ii9 s THR 451 Ca 0.62 0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 61.29 1ii9 s THR 451 Cb -0.16 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.56 1ii9 s THR 451 CO 0.56 -0.39 1.75 1.23 -0.54 0.00 0.00 174.62 177.22 1ii9 h GLY 452 N -0.96 0.59 0.41 3.99 0.00 -1.86 0.28 103.07 105.52 1ii9 h GLY 452 Ca -0.46 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 46.82 1ii9 h GLY 452 CO 0.62 0.01 -0.18 0.84 0.00 0.00 0.00 176.54 177.83 1ii9 h HIS 453 N 0.32 -0.48 -0.80 5.60 -0.00 -1.92 -0.33 115.15 117.54 1ii9 h HIS 453 Ca 0.21 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.57 1ii9 h HIS 453 Cb 0.22 0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 1ii9 h HIS 453 CO -0.16 -0.26 0.34 1.15 -0.00 0.00 0.00 177.93 179.00 1ii9 h THR 454 N -0.24 1.26 -0.52 6.26 2.02 -1.74 -1.12 112.91 118.83 1ii9 h THR 454 Ca 0.09 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1ii9 h THR 454 Cb 0.38 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1ii9 h THR 454 CO -0.26 0.32 0.30 -0.07 0.37 0.00 0.00 175.52 176.19 1ii9 h LEU 455 N 1.15 0.49 -0.59 2.58 -0.00 0.16 -1.17 115.31 117.92 1ii9 h LEU 455 Ca 0.27 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.18 1ii9 h LEU 455 Cb 0.18 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 1ii9 h LEU 455 CO -0.03 0.34 0.36 -0.07 -0.00 0.00 0.00 178.44 179.04 1ii9 h LEU 456 N 0.60 0.59 -0.22 1.67 3.38 -0.57 0.06 115.31 120.81 1ii9 h LEU 456 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1ii9 h LEU 456 Cb 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ii9 h LEU 456 CO -0.10 0.41 0.14 -0.07 0.09 0.00 0.00 178.44 178.90 1ii9 h LEU 457 N 0.71 0.26 -1.58 1.67 4.07 -0.82 -2.19 115.31 117.44 1ii9 h LEU 457 Ca 0.24 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 58.11 1ii9 h LEU 457 Cb 0.02 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1ii9 h LEU 457 CO -0.10 0.22 -0.22 -0.07 -1.08 0.00 0.00 178.44 177.19 1ii9 h LEU 458 N 0.28 0.00 -0.55 1.67 3.38 -0.87 -2.49 115.31 116.73 1ii9 h LEU 458 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1ii9 h LEU 458 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1ii9 h LEU 458 CO -0.02 0.22 -0.29 -0.78 0.09 0.00 0.00 178.44 177.66 1ii9 h ASP 459 N 0.00 0.89 0.64 -0.43 3.58 -0.56 -2.93 116.42 117.61 1ii9 h ASP 459 Ca -0.00 -0.36 -0.02 0.00 0.42 0.00 0.00 57.03 57.06 1ii9 h ASP 459 Cb 0.40 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1ii9 h ASP 459 CO 0.03 1.12 -0.12 0.00 -2.88 0.00 0.00 179.24 177.39 1ii9 h ALA 460 N 0.94 1.11 -3.00 -0.78 0.00 -0.94 -3.51 119.26 113.08 1ii9 h ALA 460 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ii9 h ALA 460 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ii9 h ALA 460 CO 0.07 0.14 0.00 2.41 0.00 0.00 0.00 179.25 181.88 1ii9 n THR 461 N -3.39 0.00 0.00 0.00 -1.04 -1.11 -5.13 114.28 103.61 1ii9 n THR 461 Ca -0.01 0.71 0.00 0.00 -2.04 0.00 0.00 64.05 62.72 1ii9 n THR 461 Cb 0.30 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 1ii9 n THR 461 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1ii9 n THR 480 N -0.41 0.00 -0.78 12.58 -2.24 -1.26 -5.05 114.28 117.12 1ii9 n THR 480 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 1ii9 n THR 480 Cb 0.00 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.26 1ii9 n THR 480 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1ii9 n PRO 481 N 0.00 1.58 -0.32 -0.78 -0.04 -1.26 -4.75 135.00 129.42 1ii9 n PRO 481 Ca 0.00 -1.12 0.20 0.00 -0.04 0.00 0.00 63.50 62.54 1ii9 n PRO 481 Cb 0.00 -1.44 0.39 0.00 -0.04 0.00 0.00 33.50 32.41 1ii9 n PRO 481 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1ii9 n MET 482 N 0.67 -0.07 -0.12 0.54 1.56 -1.26 0.21 117.12 118.65 1ii9 n MET 482 Ca 0.21 1.39 -0.08 0.00 -0.27 0.00 0.00 57.70 58.95 1ii9 n MET 482 Cb 0.56 -2.31 -0.00 0.00 2.15 0.00 0.00 33.22 33.61 1ii9 n MET 482 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1ii9 h MET 483 N 0.00 0.50 -0.29 2.12 2.86 -2.00 -1.58 114.93 116.53 1ii9 h MET 483 Ca 0.67 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.30 1ii9 h MET 483 Cb 1.55 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.08 1ii9 h MET 483 CO -0.84 0.33 0.15 1.25 1.06 0.00 0.00 176.91 178.86 1ii9 h LEU 484 N 0.51 0.23 -0.98 1.22 5.85 -0.63 -2.46 115.31 119.05 1ii9 h LEU 484 Ca 0.14 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1ii9 h LEU 484 Cb -0.05 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 1ii9 h LEU 484 CO -0.04 0.17 0.63 -0.07 -0.34 0.00 0.00 178.44 178.80 1ii9 h LEU 485 N 0.31 1.04 -0.91 2.25 3.38 -1.08 -2.51 115.31 117.80 1ii9 h LEU 485 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ii9 h LEU 485 Cb 0.03 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 1ii9 h LEU 485 CO -0.08 0.69 -0.04 1.56 0.09 0.00 0.00 178.44 180.66 1ii9 h GLN 486 N 1.20 0.00 -6.37 1.13 4.20 -1.01 -3.43 115.11 110.83 1ii9 h GLN 486 Ca 0.40 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.55 1ii9 h GLN 486 Cb 0.07 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1ii9 h GLN 486 CO -0.15 0.04 0.98 0.34 -0.67 0.00 0.00 178.83 179.37 1ii9 s ASP 487 N -5.94 6.64 0.60 1.46 -1.08 -0.94 -4.87 116.67 112.54 1ii9 s ASP 487 Ca 0.03 1.18 0.34 0.00 -0.52 0.00 0.00 52.55 53.58 1ii9 s ASP 487 Cb 0.08 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.90 1ii9 s ASP 487 CO 0.60 -1.11 2.24 -0.65 0.52 0.00 0.00 175.17 176.77 1ii9 h PRO 488 N 9.42 0.00 0.03 4.34 0.11 -1.85 -0.13 132.00 143.92 1ii9 h PRO 488 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1ii9 h PRO 488 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ii9 h PRO 488 CO 1.04 0.03 -0.19 0.93 -0.21 0.00 0.00 178.00 179.60 1ii9 h GLU 489 N 0.00 0.08 -0.07 1.05 4.39 -1.94 -3.39 114.58 114.70 1ii9 h GLU 489 Ca -0.00 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1ii9 h GLU 489 Cb 0.10 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ii9 h GLU 489 CO 0.00 1.02 -0.08 0.00 -1.16 0.00 0.00 179.01 178.79 1ii9 h ARG 490 N -0.81 0.19 -6.45 2.33 2.47 -1.80 -3.46 114.38 106.85 1ii9 h ARG 490 Ca -0.03 -0.10 -0.67 0.00 -1.26 0.00 0.00 59.98 57.91 1ii9 h ARG 490 Cb 1.11 0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 29.26 1ii9 h ARG 490 CO 0.04 0.64 -0.74 0.99 0.56 0.00 0.00 179.97 181.45 1ii9 s THR 491 N -4.21 3.34 -0.25 2.04 2.01 -0.08 -0.79 115.64 117.69 1ii9 s THR 491 Ca -0.15 -1.04 -0.03 0.00 0.31 0.00 0.00 61.69 60.78 1ii9 s THR 491 Cb 0.03 -2.48 0.08 0.00 0.01 0.00 0.00 72.50 70.15 1ii9 s THR 491 CO 0.72 0.29 0.08 -0.54 -0.69 0.00 0.00 174.62 174.48 1ii9 s LYS 492 N -1.68 0.52 -0.17 4.92 1.02 -0.22 -4.43 119.74 119.70 1ii9 s LYS 492 Ca 0.18 -0.64 -0.20 0.00 0.02 0.00 0.00 55.97 55.33 1ii9 s LYS 492 Cb -0.11 -1.82 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 1ii9 s LYS 492 CO 0.09 -0.85 0.60 0.08 -0.92 0.00 0.00 175.35 174.35 1ii9 s VAL 493 N 1.86 5.06 -0.08 3.17 1.01 -1.26 -2.25 120.40 127.90 1ii9 s VAL 493 Ca 0.05 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.18 1ii9 s VAL 493 Cb -0.17 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 1ii9 s VAL 493 CO -0.21 0.17 -0.05 -0.76 0.00 0.00 0.00 175.10 174.25 1ii9 s LEU 494 N 1.56 3.25 -0.27 3.92 1.43 0.19 0.26 118.68 129.02 1ii9 s LEU 494 Ca 0.29 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.33 1ii9 s LEU 494 Cb -0.16 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.34 1ii9 s LEU 494 CO 0.11 0.34 0.03 -0.22 0.23 0.00 0.00 176.35 176.83 1ii9 s LEU 495 N -0.65 3.49 -0.09 1.79 2.96 -0.84 0.60 118.68 125.95 1ii9 s LEU 495 Ca 0.10 -0.64 -0.15 0.00 -0.22 0.00 0.00 54.13 53.22 1ii9 s LEU 495 Cb -0.12 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ii9 s LEU 495 CO 0.02 -0.13 0.38 -0.69 -1.32 0.00 0.00 176.35 174.60 1ii9 s VAL 496 N 1.47 5.18 0.32 1.68 1.01 0.63 -0.95 120.40 129.75 1ii9 s VAL 496 Ca 0.03 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.73 1ii9 s VAL 496 Cb -0.16 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.53 1ii9 s VAL 496 CO -0.00 0.46 0.46 1.07 0.00 0.00 0.00 175.10 177.09 1ii9 n THR 497 N 2.86 0.00 -4.33 3.92 5.66 -0.35 -4.48 114.28 117.57 1ii9 n THR 497 Ca -0.12 -1.58 -0.26 0.00 -3.05 0.00 0.00 64.05 59.04 1ii9 n THR 497 Cb 0.52 1.00 -0.09 0.00 -1.55 0.00 0.00 70.33 70.20 1ii9 n THR 497 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ii9 s LEU 498 N 0.00 2.88 0.00 1.09 1.43 -1.26 -0.91 118.68 121.91 1ii9 s LEU 498 Ca 0.26 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ii9 s LEU 498 Cb -0.01 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1ii9 s LEU 498 CO 0.19 0.09 0.39 -0.81 0.23 0.00 0.00 176.35 176.43 1ii9 n PRO 499 N -0.11 0.50 -4.17 1.29 -0.04 -1.26 -4.21 135.00 127.01 1ii9 n PRO 499 Ca -0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.10 1ii9 n PRO 499 Cb 0.56 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.70 1ii9 n PRO 499 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ii9 s GLU 500 N -0.18 2.54 0.17 0.54 2.02 -1.26 -4.58 118.70 117.95 1ii9 s GLU 500 Ca 0.00 -1.05 -0.15 0.00 0.02 0.00 0.00 54.97 53.79 1ii9 s GLU 500 Cb 0.00 -2.43 0.14 0.00 0.10 0.00 0.00 34.13 31.94 1ii9 s GLU 500 CO 0.00 0.46 1.70 1.79 0.02 0.00 0.00 175.26 179.23 1ii9 h THR 501 N 2.34 0.68 -0.01 3.63 1.35 -1.97 -2.43 112.91 116.51 1ii9 h THR 501 Ca -0.47 -0.04 -0.07 0.00 -0.55 0.00 0.00 66.41 65.28 1ii9 h THR 501 Cb 1.20 0.55 0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1ii9 h THR 501 CO 0.59 0.02 -0.27 0.74 -0.25 0.00 0.00 175.52 176.35 1ii9 h THR 502 N 0.12 1.52 -0.25 6.82 2.02 -1.94 -3.07 112.91 118.13 1ii9 h THR 502 Ca 0.22 -1.91 0.07 0.00 0.77 0.00 0.00 66.41 65.56 1ii9 h THR 502 Cb 0.31 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1ii9 h THR 502 CO -0.35 0.53 0.20 -0.65 0.37 0.00 0.00 175.52 175.62 1ii9 h PRO 503 N -0.44 0.00 -0.22 6.66 0.11 -1.82 -0.32 132.00 135.97 1ii9 h PRO 503 Ca -0.03 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 1ii9 h PRO 503 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ii9 h PRO 503 CO 0.05 0.00 -0.41 0.28 -0.21 0.00 0.00 178.00 177.71 1ii9 h VAL 504 N 0.00 1.32 -0.50 3.15 2.07 -1.47 -1.92 116.25 118.90 1ii9 h VAL 504 Ca 0.12 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.96 1ii9 h VAL 504 Cb 0.51 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1ii9 h VAL 504 CO -0.00 0.51 0.10 0.25 0.02 0.00 0.00 177.57 178.45 1ii9 h LEU 505 N 0.36 0.78 -1.11 2.57 5.85 -1.15 0.16 115.31 122.78 1ii9 h LEU 505 Ca 0.01 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1ii9 h LEU 505 Cb 1.01 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1ii9 h LEU 505 CO 0.09 0.83 0.20 -0.33 -0.34 0.00 0.00 178.44 178.88 1ii9 h GLU 506 N 0.70 0.83 -0.23 1.25 5.08 -1.13 -0.96 114.58 120.13 1ii9 h GLU 506 Ca 0.16 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1ii9 h GLU 506 Cb 0.36 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1ii9 h GLU 506 CO 0.01 0.70 -0.37 0.00 -1.00 0.00 0.00 179.01 178.34 1ii9 h ALA 507 N 1.40 0.35 -0.68 3.43 0.00 -0.91 -1.84 119.26 121.02 1ii9 h ALA 507 Ca 0.19 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1ii9 h ALA 507 Cb 0.21 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1ii9 h ALA 507 CO -0.01 0.43 0.41 0.00 0.00 0.00 0.00 179.25 180.08 1ii9 h ALA 508 N 0.63 0.89 -0.27 0.00 0.00 -0.36 -0.75 119.26 119.40 1ii9 h ALA 508 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ii9 h ALA 508 Cb 0.97 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ii9 h ALA 508 CO 0.09 0.14 -0.07 -0.91 0.00 0.00 0.00 179.25 178.50 1ii9 h ASN 509 N 0.78 0.40 -0.26 0.00 -0.26 -1.08 0.91 115.58 116.08 1ii9 h ASN 509 Ca 0.28 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.89 1ii9 h ASN 509 Cb 0.08 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 1ii9 h ASN 509 CO -0.13 0.52 -0.05 -0.07 -1.06 0.00 0.00 177.43 176.64 1ii9 h LEU 510 N 0.41 0.48 -0.19 1.61 4.07 -0.50 -1.42 115.31 119.77 1ii9 h LEU 510 Ca 0.08 -0.35 0.01 0.00 0.08 0.00 0.00 57.88 57.70 1ii9 h LEU 510 Cb 0.38 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1ii9 h LEU 510 CO 0.02 0.72 0.10 -0.61 -1.08 0.00 0.00 178.44 177.59 1ii9 h GLN 511 N 0.24 0.21 -0.99 1.13 4.15 -0.65 0.87 115.11 120.06 1ii9 h GLN 511 Ca 0.07 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.62 1ii9 h GLN 511 Cb 0.50 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 1ii9 h GLN 511 CO 0.02 0.14 0.62 0.00 -1.93 0.00 0.00 178.83 177.68 1ii9 h ALA 512 N 1.09 1.62 -0.31 3.38 0.00 -0.70 0.25 119.26 124.60 1ii9 h ALA 512 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1ii9 h ALA 512 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ii9 h ALA 512 CO -0.04 0.09 -0.37 0.22 0.00 0.00 0.00 179.25 179.15 1ii9 h ASP 513 N 0.88 0.86 -0.34 0.00 3.58 -0.11 -2.60 116.42 118.70 1ii9 h ASP 513 Ca 0.51 -0.49 -0.05 0.00 0.42 0.00 0.00 57.03 57.43 1ii9 h ASP 513 Cb 0.65 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1ii9 h ASP 513 CO -0.29 1.18 0.06 -0.07 -2.88 0.00 0.00 179.24 177.25 1ii9 h LEU 514 N 0.57 0.61 -0.97 2.28 3.38 0.25 -2.52 115.31 118.90 1ii9 h LEU 514 Ca 0.04 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1ii9 h LEU 514 Cb 0.96 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1ii9 h LEU 514 CO 0.09 0.64 -0.01 -0.33 0.09 0.00 0.00 178.44 178.91 1ii9 h GLU 515 N 0.63 0.73 0.00 1.13 5.08 -0.29 -0.78 114.58 121.08 1ii9 h GLU 515 Ca 0.14 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ii9 h GLU 515 Cb 0.30 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1ii9 h GLU 515 CO 0.00 0.75 -0.06 0.00 -1.00 0.00 0.00 179.01 178.71 1ii9 h ARG 516 N 0.68 0.00 -0.31 2.33 3.08 -1.06 0.28 114.38 119.38 1ii9 h ARG 516 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ii9 h ARG 516 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ii9 h ARG 516 CO 0.02 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.98 1ii9 n ALA 517 N -2.37 2.46 -1.02 0.04 0.00 -0.53 -4.89 120.51 114.21 1ii9 n ALA 517 Ca -0.03 -0.58 -0.01 0.00 0.00 0.00 0.00 53.44 52.82 1ii9 n ALA 517 Cb 0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1ii9 n ALA 517 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ii9 n GLY 518 N 1.06 0.47 3.57 0.00 0.00 0.99 -4.93 105.19 106.35 1ii9 n GLY 518 Ca 0.12 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1ii9 n GLY 518 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ii9 s ILE 519 N -1.92 4.52 -0.27 -0.61 1.01 -0.41 -4.72 121.20 118.80 1ii9 s ILE 519 Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1ii9 s ILE 519 Cb 0.00 -3.04 0.04 0.00 0.01 0.00 0.00 42.46 39.47 1ii9 s ILE 519 CO 0.00 0.45 -0.05 -2.28 0.00 0.00 0.00 174.94 173.06 1ii9 s HIS 520 N 0.57 3.19 0.14 3.97 2.46 -1.26 -2.61 115.29 121.75 1ii9 s HIS 520 Ca 0.02 -1.87 -0.34 0.00 0.47 0.00 0.00 55.06 53.34 1ii9 s HIS 520 Cb -0.13 -2.05 -0.16 0.00 -0.13 0.00 0.00 32.58 30.11 1ii9 s HIS 520 CO 0.02 -0.80 1.20 -2.30 -2.47 0.00 0.00 174.74 170.39 1ii9 n PRO 521 N 4.59 1.11 0.16 2.88 -0.02 -1.26 -4.68 135.00 137.78 1ii9 n PRO 521 Ca -0.15 0.40 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1ii9 n PRO 521 Cb 0.44 -1.93 0.11 0.00 -0.02 0.00 0.00 33.50 32.10 1ii9 n PRO 521 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1ii9 h TRP 522 N 3.67 0.00 -1.88 6.00 7.01 -0.53 -3.45 115.95 126.77 1ii9 h TRP 522 Ca -0.44 0.00 0.25 0.00 2.11 0.00 0.00 58.89 60.81 1ii9 h TRP 522 Cb 1.35 0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 28.30 1ii9 h TRP 522 CO 0.56 0.44 0.66 0.20 -2.79 0.00 0.00 178.44 177.51 1ii9 s GLY 523 N -4.42 -0.33 0.02 2.65 0.00 -1.20 -4.09 107.32 99.95 1ii9 s GLY 523 Ca 0.03 0.43 0.07 0.00 0.00 0.00 0.00 44.72 45.26 1ii9 s GLY 523 CO 0.73 0.07 -0.21 -0.98 0.00 0.00 0.00 173.10 172.71 1ii9 s TRP 524 N -2.84 1.83 -0.23 1.90 0.52 0.96 -1.99 118.94 119.08 1ii9 s TRP 524 Ca 0.13 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.87 1ii9 s TRP 524 Cb 0.02 -1.12 0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1ii9 s TRP 524 CO -0.01 0.05 -0.08 0.42 0.02 0.00 0.00 176.95 177.35 1ii9 s ILE 525 N -0.69 2.81 -0.36 2.03 1.01 -0.12 -0.43 121.20 125.44 1ii9 s ILE 525 Ca 0.08 -0.94 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 1ii9 s ILE 525 Cb -0.09 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 1ii9 s ILE 525 CO 0.01 0.29 0.44 -0.63 0.00 0.00 0.00 174.94 175.05 1ii9 s ILE 526 N 1.34 5.09 0.34 2.92 1.01 0.73 -1.21 121.20 131.42 1ii9 s ILE 526 Ca 0.02 0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1ii9 s ILE 526 Cb -0.16 -3.92 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1ii9 s ILE 526 CO -0.06 -0.19 0.48 0.21 0.00 0.00 0.00 174.94 175.38 1ii9 s ASN 527 N 1.76 5.96 -1.30 3.58 2.47 -0.08 -0.59 114.94 126.74 1ii9 s ASN 527 Ca 0.15 -0.16 -0.05 0.00 0.42 0.00 0.00 52.86 53.23 1ii9 s ASN 527 Cb -0.16 -1.25 -0.00 0.00 -1.45 0.00 0.00 41.25 38.38 1ii9 s ASN 527 CO 0.13 -0.45 0.63 0.59 -3.72 0.00 0.00 177.10 174.28 1ii9 n ASN 528 N -1.67 -1.92 -4.74 -4.21 3.02 -1.23 -4.14 115.26 100.37 1ii9 n ASN 528 Ca -0.00 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.26 1ii9 n ASN 528 Cb 0.58 -3.62 -0.07 0.00 -0.61 0.00 0.00 39.78 36.07 1ii9 n ASN 528 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ii9 s SER 529 N -4.15 6.56 0.18 6.41 0.15 0.05 -4.48 113.70 118.42 1ii9 s SER 529 Ca 0.12 0.66 0.19 0.00 0.70 0.00 0.00 55.95 57.61 1ii9 s SER 529 Cb -0.04 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 1ii9 s SER 529 CO 0.85 0.10 1.09 -0.07 1.20 0.00 0.00 173.24 176.41 1ii9 h LEU 530 N 6.42 0.00 0.50 3.45 3.38 -1.92 -1.54 115.31 125.60 1ii9 h LEU 530 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1ii9 h LEU 530 Cb 1.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ii9 h LEU 530 CO 0.74 0.34 -0.36 0.28 0.09 0.00 0.00 178.44 179.52 1ii9 h SER 531 N 0.00 -0.95 0.00 -0.43 0.02 -1.91 -0.97 113.55 109.32 1ii9 h SER 531 Ca -0.07 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ii9 h SER 531 Cb 1.32 0.29 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1ii9 h SER 531 CO 0.03 -0.53 0.00 0.00 -1.14 0.00 0.00 176.83 175.20 1ii9 n ILE 532 N -4.64 0.00 -3.65 3.27 3.06 -1.26 -4.78 119.36 111.37 1ii9 n ILE 532 Ca -0.10 0.00 -0.35 0.00 -2.50 0.00 0.00 62.75 59.80 1ii9 n ILE 532 Cb 0.36 -0.25 -0.05 0.00 0.54 0.00 0.00 39.64 40.23 1ii9 n ILE 532 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ii9 s ALA 533 N -1.64 3.77 -1.02 1.51 0.00 -0.37 -4.81 121.76 119.19 1ii9 s ALA 533 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 51.96 51.29 1ii9 s ALA 533 Cb 0.00 -2.19 0.06 0.00 0.00 0.00 0.00 23.12 20.99 1ii9 s ALA 533 CO 0.00 0.59 1.44 0.16 0.00 0.00 0.00 175.76 177.95 1ii9 s ASP 534 N -1.67 6.53 -0.06 0.00 1.47 -1.26 -4.96 116.67 116.71 1ii9 s ASP 534 Ca 0.30 -1.55 -0.03 0.00 1.18 0.00 0.00 52.55 52.45 1ii9 s ASP 534 Cb -0.14 -2.56 0.03 0.00 -0.34 0.00 0.00 42.92 39.92 1ii9 s ASP 534 CO 0.17 -1.46 0.13 0.28 0.68 0.00 0.00 175.17 174.97 1ii9 s THR 535 N 4.74 -0.04 -1.53 2.11 -1.32 -1.26 -4.53 115.64 113.81 1ii9 s THR 535 Ca 0.45 0.14 0.20 0.00 -1.21 0.00 0.00 61.69 61.27 1ii9 s THR 535 Cb -0.00 -0.21 -0.08 0.00 -1.51 0.00 0.00 72.50 70.69 1ii9 s THR 535 CO -0.09 0.06 0.95 0.54 -2.21 0.00 0.00 174.62 173.86 1ii9 n ARG 536 N 3.91 1.08 -1.86 7.08 3.00 -1.26 -4.84 116.66 123.77 1ii9 n ARG 536 Ca -0.23 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.85 56.58 1ii9 n ARG 536 Cb 0.53 -1.42 -0.03 0.00 0.00 0.00 0.00 32.46 31.55 1ii9 n ARG 536 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ii9 s SER 537 N -2.50 6.33 0.27 0.55 0.15 -1.26 -4.90 113.70 112.33 1ii9 s SER 537 Ca 0.14 2.18 -0.01 0.00 0.70 0.00 0.00 55.95 58.95 1ii9 s SER 537 Cb 0.16 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.47 1ii9 s SER 537 CO 0.62 -1.22 1.78 1.55 1.20 0.00 0.00 173.24 177.17 1ii9 h PRO 538 N 11.08 0.68 -0.27 5.44 0.13 -1.93 -1.01 132.00 146.12 1ii9 h PRO 538 Ca -0.42 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1ii9 h PRO 538 Cb 1.20 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1ii9 h PRO 538 CO 0.96 0.45 -0.12 1.25 -0.23 0.00 0.00 178.00 180.31 1ii9 h LEU 539 N 0.70 0.57 -1.42 1.56 5.85 -1.96 -0.94 115.31 119.66 1ii9 h LEU 539 Ca 0.47 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1ii9 h LEU 539 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1ii9 h LEU 539 CO -0.34 0.84 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.26 1ii9 h LEU 540 N 0.29 0.02 -0.36 2.25 -0.00 -1.86 0.50 115.31 116.14 1ii9 h LEU 540 Ca 0.06 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.74 1ii9 h LEU 540 Cb 0.63 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1ii9 h LEU 540 CO 0.04 0.30 -0.75 0.03 -0.00 0.00 0.00 178.44 178.06 1ii9 h ARG 541 N 0.02 0.44 -0.21 1.13 3.08 -1.01 0.54 114.38 118.38 1ii9 h ARG 541 Ca 0.00 -0.37 -0.16 0.00 0.07 0.00 0.00 59.98 59.52 1ii9 h ARG 541 Cb 0.50 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1ii9 h ARG 541 CO 0.04 1.01 -0.54 1.98 -1.07 0.00 0.00 179.97 181.38 1ii9 h MET 542 N 0.30 0.61 -0.10 0.04 4.05 -0.38 -2.25 114.93 117.20 1ii9 h MET 542 Ca -0.04 -0.38 -0.02 0.00 -0.28 0.00 0.00 59.70 58.98 1ii9 h MET 542 Cb 1.33 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1ii9 h MET 542 CO 0.13 1.00 -0.01 0.00 0.23 0.00 0.00 176.91 178.26 1ii9 h ARG 543 N 0.47 0.19 -0.65 0.39 2.47 0.28 -2.70 114.38 114.83 1ii9 h ARG 543 Ca 0.01 -0.06 0.13 0.00 -1.26 0.00 0.00 59.98 58.80 1ii9 h ARG 543 Cb 1.09 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.36 1ii9 h ARG 543 CO 0.11 0.46 0.44 0.00 0.56 0.00 0.00 179.97 181.53 1ii9 h ALA 544 N 0.73 2.13 0.00 0.04 0.00 0.17 0.17 119.26 122.50 1ii9 h ALA 544 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ii9 h ALA 544 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ii9 h ALA 544 CO 0.01 -0.30 -0.04 0.37 0.00 0.00 0.00 179.25 179.29 1ii9 h GLN 545 N 0.35 0.00 0.00 0.00 4.15 -1.09 -2.74 115.11 115.78 1ii9 h GLN 545 Ca 0.31 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.63 1ii9 h GLN 545 Cb 0.74 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1ii9 h GLN 545 CO -0.08 0.04 -0.47 1.96 -1.93 0.00 0.00 178.83 178.35 1ii9 h GLN 546 N 0.00 0.00 0.00 1.69 1.08 -0.42 -3.26 115.11 114.20 1ii9 h GLN 546 Ca -0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1ii9 h GLN 546 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 1ii9 h GLN 546 CO 0.01 0.47 -0.47 0.93 -0.95 0.00 0.00 178.83 178.82 1ii9 h GLU 547 N 0.00 0.00 -1.00 1.46 5.08 -1.46 -3.39 114.58 115.28 1ii9 h GLU 547 Ca -0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 1ii9 h GLU 547 Cb 1.02 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.09 1ii9 h GLU 547 CO 0.06 0.47 -0.28 1.28 -1.00 0.00 0.00 179.01 179.54 1ii9 n LEU 548 N -3.76 -0.42 0.13 1.33 4.77 -1.23 -0.64 117.00 117.17 1ii9 n LEU 548 Ca -0.01 1.72 -0.01 0.00 -0.03 0.00 0.00 56.01 57.68 1ii9 n LEU 548 Cb 0.52 -0.49 0.22 0.00 -2.33 0.00 0.00 43.42 41.34 1ii9 n LEU 548 CO 0.39 -1.62 0.59 -0.65 -1.33 0.00 0.00 177.39 174.76 1ii9 h PRO 549 N 0.00 0.10 0.55 3.23 0.11 -1.86 0.11 132.00 134.24 1ii9 h PRO 549 Ca 0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 1ii9 h PRO 549 Cb 0.70 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.82 1ii9 h PRO 549 CO -1.02 0.58 -0.26 1.96 -0.21 0.00 0.00 178.00 179.05 1ii9 h GLN 550 N 0.08 -0.71 -0.86 1.05 7.50 -1.13 0.35 115.11 121.40 1ii9 h GLN 550 Ca 0.00 0.05 0.08 0.00 0.50 0.00 0.00 58.65 59.28 1ii9 h GLN 550 Cb 0.92 0.16 -0.06 0.00 0.05 0.00 0.00 27.48 28.55 1ii9 h GLN 550 CO 0.07 -0.40 0.56 0.82 -1.50 0.00 0.00 178.83 178.38 1ii9 h ILE 551 N -0.99 1.00 -0.45 2.54 2.04 -1.12 -0.97 117.51 119.56 1ii9 h ILE 551 Ca -0.08 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.41 1ii9 h ILE 551 Cb 0.63 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1ii9 h ILE 551 CO 0.12 0.16 -0.00 -0.08 0.00 0.00 0.00 178.15 178.35 1ii9 h GLU 552 N 0.89 0.80 -0.09 2.37 4.22 -0.58 -2.57 114.58 119.61 1ii9 h GLU 552 Ca 0.38 -0.26 0.04 0.00 0.08 0.00 0.00 59.36 59.61 1ii9 h GLU 552 Cb 0.33 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 1ii9 h GLU 552 CO -0.15 0.86 -0.20 0.77 -2.18 0.00 0.00 179.01 178.11 1ii9 h SER 553 N 0.64 -0.60 -0.55 1.04 0.02 0.10 0.64 113.55 114.85 1ii9 h SER 553 Ca 0.13 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.29 1ii9 h SER 553 Cb 0.50 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 1ii9 h SER 553 CO 0.02 -0.25 0.01 0.58 -1.14 0.00 0.00 176.83 176.06 1ii9 h VAL 554 N -0.27 0.57 -0.06 2.27 2.07 -1.20 0.53 116.25 120.16 1ii9 h VAL 554 Ca 0.09 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 67.37 1ii9 h VAL 554 Cb 0.39 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1ii9 h VAL 554 CO -0.25 0.02 -0.77 0.50 0.02 0.00 0.00 177.57 177.10 1ii9 h LYS 555 N 0.13 0.40 0.00 1.57 3.64 -1.06 0.99 116.57 122.23 1ii9 h LYS 555 Ca 0.28 -0.34 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1ii9 h LYS 555 Cb 0.44 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1ii9 h LYS 555 CO -0.46 0.99 -1.00 0.00 -2.27 0.00 0.00 179.45 176.72 1ii9 h ARG 556 N 0.26 0.00 0.00 1.90 2.47 -0.33 -3.43 114.38 115.26 1ii9 h ARG 556 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1ii9 h ARG 556 Cb 1.35 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.67 1ii9 h ARG 556 CO 0.13 0.33 -0.09 0.94 0.56 0.00 0.00 179.97 181.84 1ii9 n GLN 557 N -3.00 2.75 -0.04 0.04 7.27 0.18 -4.98 117.38 119.60 1ii9 n GLN 557 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 56.97 1ii9 n GLN 557 Cb 0.76 -0.31 -0.04 0.00 2.41 0.00 0.00 30.24 33.07 1ii9 n GLN 557 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1ii9 n HIS 558 N -0.34 0.00 -4.84 3.69 8.25 -0.82 -5.00 115.22 116.15 1ii9 n HIS 558 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1ii9 n HIS 558 Cb 0.00 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 30.67 1ii9 n HIS 558 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ii9 s ALA 559 N -2.16 2.55 0.18 -1.41 0.00 0.28 -5.00 121.76 116.20 1ii9 s ALA 559 Ca -0.11 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.66 1ii9 s ALA 559 Cb 0.03 -0.79 0.07 0.00 0.00 0.00 0.00 23.12 22.43 1ii9 s ALA 559 CO 0.18 0.56 1.62 0.77 0.00 0.00 0.00 175.76 178.90 1ii9 h SER 560 N 4.96 1.03 -4.71 0.00 0.02 -1.86 -3.45 113.55 109.54 1ii9 h SER 560 Ca -0.46 -0.32 -0.28 0.00 -0.84 0.00 0.00 61.79 59.89 1ii9 h SER 560 Cb 1.15 -0.28 -0.20 0.00 0.14 0.00 0.00 62.40 63.21 1ii9 h SER 560 CO 0.48 1.12 -0.73 -0.13 -1.14 0.00 0.00 176.83 176.43 1ii9 s ARG 561 N -4.93 0.60 0.04 3.45 0.52 -1.26 -5.05 118.95 112.32 1ii9 s ARG 561 Ca -0.11 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.25 1ii9 s ARG 561 Cb 0.13 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 1ii9 s ARG 561 CO 0.86 0.05 -0.08 0.08 0.02 0.00 0.00 175.30 176.23 1ii9 s VAL 562 N -1.73 0.52 -0.02 3.52 1.01 -1.26 -0.03 120.40 122.42 1ii9 s VAL 562 Ca -0.06 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.84 1ii9 s VAL 562 Cb -0.08 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1ii9 s VAL 562 CO -0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 175.10 174.59 1ii9 s ALA 563 N -1.49 0.86 -0.26 5.51 0.00 0.43 -4.40 121.76 122.41 1ii9 s ALA 563 Ca -0.09 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.45 1ii9 s ALA 563 Cb -0.09 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1ii9 s ALA 563 CO 0.00 0.17 -0.02 -1.17 0.00 0.00 0.00 175.76 174.74 1ii9 s LEU 564 N 0.00 3.34 0.07 0.00 0.20 -0.69 -0.19 118.68 121.42 1ii9 s LEU 564 Ca -0.00 -0.76 0.04 0.00 0.69 0.00 0.00 54.13 54.11 1ii9 s LEU 564 Cb -0.07 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 1ii9 s LEU 564 CO 0.00 -0.13 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.23 1ii9 s VAL 565 N 1.40 3.96 0.31 1.68 1.01 0.24 -4.24 120.40 124.76 1ii9 s VAL 565 Ca 0.02 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1ii9 s VAL 565 Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1ii9 s VAL 565 CO -0.02 0.17 0.47 -2.16 0.00 0.00 0.00 175.10 173.56 1ii9 s PRO 566 N -2.15 3.38 -0.49 2.72 0.04 -1.26 -0.77 135.00 136.46 1ii9 s PRO 566 Ca 0.24 -0.62 -0.28 0.00 0.04 0.00 0.00 61.00 60.39 1ii9 s PRO 566 Cb -0.12 -2.77 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1ii9 s PRO 566 CO 0.16 0.21 1.73 0.08 0.04 0.00 0.00 177.00 179.22 1ii9 s VAL 567 N -2.18 3.51 0.18 -0.36 1.01 -0.58 -4.26 120.40 117.72 1ii9 s VAL 567 Ca 0.39 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 1ii9 s VAL 567 Cb -0.09 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.42 1ii9 s VAL 567 CO 0.33 -0.77 1.82 0.25 0.00 0.00 0.00 175.10 176.72 1ii9 h LEU 568 N 14.59 0.52 -2.71 3.92 6.46 -1.95 -3.48 115.31 132.67 1ii9 h LEU 568 Ca -0.29 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.38 1ii9 h LEU 568 Cb 1.15 -0.11 0.07 0.00 -0.73 0.00 0.00 40.66 41.04 1ii9 h LEU 568 CO 1.14 0.37 -0.31 0.00 -0.62 0.00 0.00 178.44 179.01 1ii9 n ALA 569 N -2.28 -1.64 0.00 1.25 0.00 -1.26 -5.01 120.51 111.57 1ii9 n ALA 569 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1ii9 n ALA 569 Cb 0.08 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.01 1ii9 n ALA 569 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ii9 n SER 570 N -2.10 0.00 -4.64 0.00 2.88 -1.26 -4.94 113.62 103.55 1ii9 n SER 570 Ca -0.03 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 1ii9 n SER 570 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.98 1ii9 n SER 570 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ii9 s GLU 571 N -1.62 3.97 -0.06 -1.46 8.01 -1.26 -4.83 118.70 121.45 1ii9 s GLU 571 Ca 0.00 1.83 -0.00 0.00 0.01 0.00 0.00 54.97 56.80 1ii9 s GLU 571 Cb 0.00 -3.99 -0.01 0.00 -4.31 0.00 0.00 34.13 25.82 1ii9 s GLU 571 CO 0.00 -1.08 0.95 -2.30 0.01 0.00 0.00 175.26 172.84 1ii9 n PRO 572 N 7.37 0.18 0.00 0.39 -0.02 -1.26 -4.14 135.00 137.52 1ii9 n PRO 572 Ca 0.18 -0.39 -0.21 0.00 -2.02 0.00 0.00 63.50 61.05 1ii9 n PRO 572 Cb 0.44 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 31.94 1ii9 n PRO 572 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1ii9 h THR 573 N 3.56 1.02 -3.47 3.45 2.02 -1.93 -3.42 112.91 114.13 1ii9 h THR 573 Ca 0.04 -2.39 -0.53 0.00 0.77 0.00 0.00 66.41 64.29 1ii9 h THR 573 Cb 0.04 2.70 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1ii9 h THR 573 CO 0.83 0.70 0.07 -0.83 0.37 0.00 0.00 175.52 176.65 1ii9 s GLY 574 N -4.98 2.65 0.00 2.16 0.00 -1.26 -4.90 107.32 100.99 1ii9 s GLY 574 Ca -0.20 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1ii9 s GLY 574 CO 0.76 0.51 0.88 0.29 0.00 0.00 0.00 173.10 175.54 1ii9 n ILE 575 N 1.02 1.56 0.15 0.90 -5.35 -1.26 -1.17 119.36 115.21 1ii9 n ILE 575 Ca -0.05 0.43 -0.06 0.00 -0.27 0.00 0.00 62.75 62.80 1ii9 n ILE 575 Cb 0.51 -1.43 -0.03 0.00 -1.74 0.00 0.00 39.64 36.95 1ii9 n ILE 575 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ii9 h ASP 576 N 0.00 -0.35 0.57 7.28 3.45 -1.96 -0.93 116.42 124.47 1ii9 h ASP 576 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.47 1ii9 h ASP 576 Cb 0.08 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1ii9 h ASP 576 CO 0.00 -0.15 0.00 0.11 -1.57 0.00 0.00 179.24 177.63 1ii9 h LYS 577 N -0.62 0.00 -0.22 3.56 6.56 -1.63 -1.27 116.57 122.95 1ii9 h LYS 577 Ca -0.04 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.37 1ii9 h LYS 577 Cb 0.32 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1ii9 h LYS 577 CO 0.07 0.00 -0.59 1.25 -2.06 0.00 0.00 179.45 178.12 1ii9 h LEU 578 N 0.00 0.80 -1.05 2.94 5.85 -1.09 -2.75 115.31 120.02 1ii9 h LEU 578 Ca 0.00 -0.44 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1ii9 h LEU 578 Cb 0.29 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ii9 h LEU 578 CO 0.00 1.21 -0.15 0.11 -0.34 0.00 0.00 178.44 179.27 1ii9 h LYS 579 N 0.54 0.00 -0.10 1.25 1.57 0.02 -3.08 116.57 116.77 1ii9 h LYS 579 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1ii9 h LYS 579 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1ii9 h LYS 579 CO 0.12 0.15 -0.55 1.96 -0.57 0.00 0.00 179.45 180.56 1ii9 h GLN 580 N 0.00 0.30 -0.82 3.15 4.20 -1.15 -3.22 115.11 117.57 1ii9 h GLN 580 Ca -0.00 -0.18 0.05 0.00 0.06 0.00 0.00 58.65 58.57 1ii9 h GLN 580 Cb 0.74 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1ii9 h GLN 580 CO 0.02 0.77 0.54 -0.07 -0.67 0.00 0.00 178.83 179.41 1ii9 h LEU 581 N 0.23 0.83 -1.01 1.46 3.38 -1.43 -3.13 115.31 115.64 1ii9 h LEU 581 Ca 0.00 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ii9 h LEU 581 Cb 1.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1ii9 h LEU 581 CO 0.09 0.55 0.02 0.00 0.09 0.00 0.00 178.44 179.19 1ii9 h ALA 582 N 1.54 1.19 -0.09 1.53 0.00 -1.70 -3.43 119.26 118.29 1ii9 h ALA 582 Ca 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ii9 h ALA 582 Cb 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ii9 h ALA 582 CO -0.11 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1ii9 n GLY 583 N -0.73 0.34 3.27 0.00 0.00 -1.18 -1.73 105.19 105.16 1ii9 n GLY 583 Ca 0.02 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.97 1ii9 n GLY 583 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ii9 s HIS 584 N 0.00 -0.29 -0.26 1.61 -3.43 -1.26 -4.86 115.29 106.80 1ii9 s HIS 584 Ca 0.00 0.55 0.02 0.00 -0.80 0.00 0.00 55.06 54.83 1ii9 s HIS 584 Cb 0.00 0.14 0.06 0.00 -1.43 0.00 0.00 32.58 31.34 1ii9 s HIS 584 CO 0.00 -0.36 -0.10 -1.58 -2.00 0.00 0.00 174.74 170.71 1ii9 s HIS 585 N -0.88 3.24 0.17 0.38 5.04 -1.26 -4.80 115.29 117.17 1ii9 s HIS 585 Ca -0.10 -2.21 -0.31 0.00 -1.54 0.00 0.00 55.06 50.90 1ii9 s HIS 585 Cb -0.04 -1.96 -0.10 0.00 0.04 0.00 0.00 32.58 30.52 1ii9 s HIS 585 CO 0.04 -0.86 1.55 -1.01 -2.34 0.00 0.00 174.74 172.11 1ii9 s HIS 586 N 1.14 3.07 0.37 3.88 3.76 -1.26 -4.96 115.29 121.29 1ii9 s HIS 586 Ca -0.08 0.68 -0.27 0.00 -0.15 0.00 0.00 55.06 55.24 1ii9 s HIS 586 Cb -0.20 -3.90 -0.09 0.00 1.11 0.00 0.00 32.58 29.50 1ii9 s HIS 586 CO -0.05 -3.30 1.24 -1.58 -0.85 0.00 0.00 174.74 170.21 1ii9 s HIS 587 N 1.07 3.04 0.31 1.40 2.46 -1.26 -5.02 115.29 117.29 1ii9 s HIS 587 Ca 0.69 1.48 -0.07 0.00 0.47 0.00 0.00 55.06 57.64 1ii9 s HIS 587 Cb -0.43 -3.55 0.00 0.00 -0.13 0.00 0.00 32.58 28.47 1ii9 s HIS 587 CO 0.32 -1.63 0.49 -3.38 -2.47 0.00 0.00 174.74 168.07 1ii9 s HIS 588 N -1.26 0.76 -1.43 3.88 -3.43 -1.26 -5.34 115.29 107.22 1ii9 s HIS 588 Ca 0.53 -1.08 0.11 0.00 -0.80 0.00 0.00 55.06 53.83 1ii9 s HIS 588 Cb -0.36 0.06 0.09 0.00 -1.43 0.00 0.00 32.58 30.95 1ii9 s HIS 588 CO 0.46 -1.11 0.86 0.72 -2.00 0.00 0.00 174.74 173.68