#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d9i n ASP 1 N 0.00 3.06 -4.53 0.00 -0.08 -1.26 -5.02 116.55 108.72 1d9i n ASP 1 Ca 0.00 -1.96 -0.44 0.00 -1.51 0.00 0.00 54.79 50.88 1d9i n ASP 1 Cb 0.00 -0.07 -0.01 0.00 2.34 0.00 0.00 41.12 43.38 1d9i n ASP 1 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d9i n GLY 2 N 1.48 1.32 3.12 0.00 0.00 -0.60 -4.69 105.19 105.83 1d9i n GLY 2 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1d9i n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d9i s LEU 3 N -3.27 4.48 -0.03 0.99 1.43 -0.99 -2.01 118.68 119.29 1d9i s LEU 3 Ca 0.00 -1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 51.11 1d9i s LEU 3 Cb 0.00 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 1d9i s LEU 3 CO 0.00 -0.37 1.49 -0.13 0.23 0.00 0.00 176.35 177.57 1d9i s ARG 4 N 1.14 4.24 0.59 1.70 0.52 -1.26 -4.82 118.95 121.06 1d9i s ARG 4 Ca 0.02 2.04 0.29 0.00 -0.52 0.00 0.00 55.73 57.56 1d9i s ARG 4 Cb -0.21 -3.72 1.61 0.00 0.52 0.00 0.00 34.95 33.15 1d9i s ARG 4 CO -0.04 -0.69 2.04 -1.35 0.02 0.00 0.00 175.30 175.28 1d9i h PRO 5 N 8.44 0.00 -0.42 3.54 0.11 -1.89 -1.96 132.00 139.82 1d9i h PRO 5 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1d9i h PRO 5 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1d9i h PRO 5 CO 0.93 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.00 1d9i n LEU 6 N -3.73 3.45 0.00 2.35 4.32 -1.26 -3.68 117.00 118.44 1d9i n LEU 6 Ca 0.03 -1.51 0.00 0.00 -0.02 0.00 0.00 56.01 54.51 1d9i n LEU 6 Cb 0.42 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 1d9i n LEU 6 CO 0.27 0.76 0.00 0.49 -1.22 0.00 0.00 177.39 177.68 1d9i n PHE 7 N 1.47 0.00 -0.36 -1.77 3.01 -0.77 -4.67 117.46 114.37 1d9i n PHE 7 Ca 0.20 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.57 1d9i n PHE 7 Cb 0.60 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.99 1d9i n PHE 7 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1d9i n GLU 8 N 0.00 -0.36 -0.13 -1.08 4.71 -1.12 0.22 120.64 122.87 1d9i n GLU 8 Ca 0.00 1.31 -0.10 0.00 -0.01 0.00 0.00 57.16 58.36 1d9i n GLU 8 Cb 0.00 -1.93 -0.08 0.00 -1.01 0.00 0.00 31.44 28.42 1d9i n GLU 8 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1d9i h LYS 9 N 0.00 -0.26 0.00 3.49 6.56 -1.70 0.15 116.57 124.81 1d9i h LYS 9 Ca 0.15 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1d9i h LYS 9 Cb 0.37 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.09 1d9i h LYS 9 CO -0.82 -0.17 0.00 1.63 -2.06 0.00 0.00 179.45 178.03 1d9i n LYS 10 N -4.75 0.82 -2.53 3.15 5.02 0.92 -4.87 118.16 115.92 1d9i n LYS 10 Ca -0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.16 1d9i n LYS 10 Cb 0.25 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.78 1d9i n LYS 10 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1d9i n SER 11 N -1.03 -3.72 -4.76 4.39 2.88 0.59 -4.97 113.62 107.01 1d9i n SER 11 Ca 0.20 -0.11 -0.32 0.00 -1.33 0.00 0.00 58.87 57.31 1d9i n SER 11 Cb 0.11 -2.70 -0.07 0.00 -0.75 0.00 0.00 64.21 60.80 1d9i n SER 11 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1d9i s LEU 12 N -3.41 3.76 -0.19 2.46 1.43 0.45 -4.95 118.68 118.23 1d9i s LEU 12 Ca 0.11 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1d9i s LEU 12 Cb -0.05 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 1d9i s LEU 12 CO 0.14 0.22 -0.09 -1.61 0.23 0.00 0.00 176.35 175.25 1d9i s GLU 13 N -2.04 3.35 0.99 1.70 0.41 -1.26 -3.09 118.70 118.75 1d9i s GLU 13 Ca 0.25 -0.66 -0.14 0.00 -0.41 0.00 0.00 54.97 54.02 1d9i s GLU 13 Cb -0.12 -2.85 0.18 0.00 -1.78 0.00 0.00 34.13 29.56 1d9i s GLU 13 CO 0.17 -0.06 1.13 0.16 -0.49 0.00 0.00 175.26 176.17 1d9i s ASP 14 N 1.09 2.81 0.08 -0.19 -4.77 -1.26 -4.99 116.67 109.44 1d9i s ASP 14 Ca 0.01 0.94 -0.32 0.00 -3.30 0.00 0.00 52.55 49.87 1d9i s ASP 14 Cb -0.15 -1.46 -0.15 0.00 -1.09 0.00 0.00 42.92 40.08 1d9i s ASP 14 CO -0.02 -2.98 1.50 0.11 0.70 0.00 0.00 175.17 174.48 1d9i h LYS 14 N -1.80 -0.79 -0.09 2.11 1.57 -2.02 -3.22 116.57 112.34 1d9i h LYS 14 Ca -0.51 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1d9i h LYS 14 Cb 1.32 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1d9i h LYS 14 CO 0.55 -0.53 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1d9i n THR 14 N -5.18 0.11 -0.28 -0.16 -2.24 -1.26 -4.13 114.28 101.14 1d9i n THR 14 Ca -0.10 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1d9i n THR 14 Cb 0.40 0.25 0.24 0.00 -2.10 0.00 0.00 70.33 69.12 1d9i n THR 14 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1d9i h GLU 14 N 1.78 0.18 -0.63 -0.78 5.08 -1.95 -1.42 114.58 116.84 1d9i h GLU 14 Ca 0.00 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.48 1d9i h GLU 14 Cb 0.39 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.49 1d9i h GLU 14 CO 0.00 0.12 -0.05 0.07 -1.00 0.00 0.00 179.01 178.15 1d9i h ARG 14 N 0.18 0.07 0.00 2.33 -0.00 -1.82 -1.30 114.38 113.84 1d9i h ARG 14 Ca 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.47 1d9i h ARG 14 Cb 0.95 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 1d9i h ARG 14 CO -0.65 0.05 0.00 -1.91 -0.00 0.00 0.00 179.97 177.46 1d9i n GLU 14 N -5.33 0.00 0.00 0.08 2.13 -0.54 0.78 120.64 117.76 1d9i n GLU 14 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1d9i n GLU 14 Cb 0.36 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 31.15 1d9i n GLU 14 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1d9i n LEU 14 N 0.33 0.00 -0.48 4.31 7.99 -0.49 -2.60 117.00 126.05 1d9i n LEU 14 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 56.01 56.13 1d9i n LEU 14 Cb 0.00 0.00 0.48 0.00 -0.11 0.00 0.00 43.42 43.79 1d9i n LEU 14 CO 0.00 0.00 0.84 -0.62 -1.51 0.00 0.00 177.39 176.10 1d9i n GLU 14 N 0.00 1.65 -0.10 3.23 1.02 0.23 -0.28 120.64 126.39 1d9i n GLU 14 Ca 0.00 -0.96 -0.11 0.00 -0.02 0.00 0.00 57.16 56.07 1d9i n GLU 14 Cb 0.00 -1.44 -0.15 0.00 -0.02 0.00 0.00 31.44 29.83 1d9i n GLU 14 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1d9i n SER 14 N 0.17 0.37 0.00 1.62 3.41 -1.07 -3.52 113.62 114.60 1d9i n SER 14 Ca 0.18 -0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.79 1d9i n SER 14 Cb 0.33 0.79 0.15 0.00 -0.26 0.00 0.00 64.21 65.21 1d9i n SER 14 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1d9i n TYR 14 N -2.81 0.00 -1.85 7.33 4.01 -1.22 -4.62 117.16 118.00 1d9i n TYR 14 Ca -0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1d9i n TYR 14 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.15 1d9i n TYR 14 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1d9i n ILE 14 N -0.87 0.00 -1.37 -0.72 5.41 -1.23 -5.12 119.36 115.46 1d9i n ILE 14 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1d9i n ILE 14 Cb 0.02 -0.47 0.00 0.00 -0.71 0.00 0.00 39.64 38.48 1d9i n ILE 14 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1d9i n ASP 14 N 1.86 -1.83 0.00 4.38 10.43 0.61 -4.96 116.55 127.05 1d9i n ASP 14 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 1d9i n ASP 14 Cb 0.46 -0.91 0.00 0.00 1.84 0.00 0.00 41.12 42.51 1d9i n ASP 14 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1d9i n ILE 16 N -0.32 0.00 -3.61 0.53 2.08 -0.39 -4.49 119.36 113.16 1d9i n ILE 16 Ca 0.00 0.00 -0.39 0.00 0.56 0.00 0.00 62.75 62.92 1d9i n ILE 16 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 39.64 38.78 1d9i n ILE 16 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1d9i s VAL 17 N -1.71 4.91 -0.98 1.39 1.01 -0.50 -4.11 120.40 120.41 1d9i s VAL 17 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1d9i s VAL 17 Cb 0.00 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1d9i s VAL 17 CO 0.00 0.06 0.83 -0.62 0.00 0.00 0.00 175.10 175.37 1d9i n GLU 18 N 5.03 -5.48 -3.22 2.72 -0.58 -1.26 -2.95 120.64 114.89 1d9i n GLU 18 Ca -0.13 0.69 -0.16 0.00 -0.42 0.00 0.00 57.16 57.13 1d9i n GLU 18 Cb 0.50 -5.23 -0.02 0.00 -0.57 0.00 0.00 31.44 26.11 1d9i n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d9i n GLY 19 N -1.17 3.57 3.63 0.62 0.00 -1.26 -4.68 105.19 105.90 1d9i n GLY 19 Ca -0.21 -2.28 -0.23 0.00 0.00 0.00 0.00 46.02 43.30 1d9i n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d9i s SER 20 N -2.56 4.49 0.09 1.61 0.01 -0.24 -4.87 113.70 112.23 1d9i s SER 20 Ca 0.05 -0.66 -0.31 0.00 1.31 0.00 0.00 55.95 56.34 1d9i s SER 20 Cb -0.00 -0.81 -0.08 0.00 0.21 0.00 0.00 66.02 65.33 1d9i s SER 20 CO 0.03 0.01 1.46 -1.81 0.41 0.00 0.00 173.24 173.33 1d9i s ASP 21 N -3.64 6.76 0.57 2.44 1.11 -1.26 0.90 116.67 123.56 1d9i s ASP 21 Ca 0.31 2.35 -0.17 0.00 0.18 0.00 0.00 52.55 55.22 1d9i s ASP 21 Cb -0.06 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.30 1d9i s ASP 21 CO 0.19 -0.72 1.07 0.00 1.18 0.00 0.00 175.17 176.89 1d9i s ALA 22 N 1.56 2.72 0.48 5.23 0.00 -0.06 -4.79 121.76 126.91 1d9i s ALA 22 Ca 0.67 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1d9i s ALA 22 Cb -0.37 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1d9i s ALA 22 CO 0.30 -0.76 0.97 -1.21 0.00 0.00 0.00 175.76 175.06 1d9i s GLU 23 N -3.79 4.03 0.37 0.00 2.02 -1.26 -4.90 118.70 115.17 1d9i s GLU 23 Ca 0.66 1.00 -0.28 0.00 0.02 0.00 0.00 54.97 56.36 1d9i s GLU 23 Cb -0.18 -2.16 -0.11 0.00 0.10 0.00 0.00 34.13 31.79 1d9i s GLU 23 CO 0.33 -0.19 1.47 0.42 0.02 0.00 0.00 175.26 177.31 1d9i s ILE 24 N -2.47 2.11 -1.59 -1.63 1.01 -1.26 -2.20 121.20 115.16 1d9i s ILE 24 Ca 0.60 0.11 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1d9i s ILE 24 Cb -0.10 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1d9i s ILE 24 CO 0.25 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.83 1d9i n GLY 25 N 0.55 0.88 0.15 6.18 0.00 -1.26 -4.90 105.19 106.80 1d9i n GLY 25 Ca 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1d9i n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1d9i h MET 26 N 0.00 0.00 -1.31 1.61 -1.53 -1.81 -3.38 114.93 108.51 1d9i h MET 26 Ca -0.35 0.00 -0.42 0.00 -3.44 0.00 0.00 59.70 55.48 1d9i h MET 26 Cb 1.15 0.00 -0.31 0.00 -0.55 0.00 0.00 31.60 31.89 1d9i h MET 26 CO 0.47 0.00 -0.91 0.45 0.14 0.00 0.00 176.91 177.06 1d9i n SER 27 N -2.74 -0.64 0.00 1.39 2.88 -1.26 -4.99 113.62 108.26 1d9i n SER 27 Ca 0.02 -3.04 0.06 0.00 -1.33 0.00 0.00 58.87 54.58 1d9i n SER 27 Cb 0.52 0.23 0.31 0.00 -0.75 0.00 0.00 64.21 64.52 1d9i n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1d9i n PRO 28 N 1.02 0.26 0.00 -1.46 -0.04 -1.26 -1.86 135.00 131.66 1d9i n PRO 28 Ca 0.17 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1d9i n PRO 28 Cb 0.61 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.59 1d9i n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1d9i n TRP 29 N -1.14 0.00 -2.30 0.54 2.14 -1.02 -0.18 117.44 115.48 1d9i n TRP 29 Ca 0.07 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 1d9i n TRP 29 Cb 0.06 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.53 1d9i n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1d9i s GLN 30 N -1.82 4.34 0.16 -2.67 2.00 -0.78 -0.99 119.66 119.90 1d9i s GLN 30 Ca 0.16 1.89 0.09 0.00 -2.00 0.00 0.00 55.36 55.50 1d9i s GLN 30 Cb 0.14 -3.43 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1d9i s GLN 30 CO 0.37 -0.43 -0.13 0.08 -0.50 0.00 0.00 175.29 174.67 1d9i s VAL 31 N 1.70 3.05 -0.16 1.34 1.01 -0.40 -4.25 120.40 122.69 1d9i s VAL 31 Ca 0.61 -1.61 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 1d9i s VAL 31 Cb -0.31 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1d9i s VAL 31 CO 0.27 -0.03 0.10 -0.32 0.00 0.00 0.00 175.10 175.12 1d9i s MET 32 N -2.57 3.77 -0.40 2.72 1.75 -0.55 -2.36 119.30 121.67 1d9i s MET 32 Ca 0.22 -0.26 -0.13 0.00 -1.25 0.00 0.00 55.69 54.27 1d9i s MET 32 Cb -0.09 -3.22 0.03 0.00 2.84 0.00 0.00 34.83 34.39 1d9i s MET 32 CO 0.13 0.47 0.27 -1.17 -0.65 0.00 0.00 175.02 174.07 1d9i s LEU 33 N -0.17 4.99 -0.12 4.11 0.20 0.17 -1.40 118.68 126.46 1d9i s LEU 33 Ca 0.09 -0.98 0.02 0.00 0.69 0.00 0.00 54.13 53.94 1d9i s LEU 33 Cb -0.12 -2.10 -0.01 0.00 -0.43 0.00 0.00 46.19 43.53 1d9i s LEU 33 CO 0.01 -0.44 -0.18 0.12 -0.29 0.00 0.00 176.35 175.57 1d9i s PHE 34 N 1.62 2.71 0.04 5.38 5.36 0.96 0.14 117.98 134.19 1d9i s PHE 34 Ca 0.04 -0.82 -0.30 0.00 -0.96 0.00 0.00 56.93 54.88 1d9i s PHE 34 Cb -0.19 -1.79 -0.05 0.00 -0.34 0.00 0.00 43.02 40.65 1d9i s PHE 34 CO 0.08 -0.30 1.11 0.50 -1.46 0.00 0.00 175.22 175.15 1d9i s ARG 35 N 0.36 4.49 0.03 10.12 3.52 0.18 0.31 118.95 137.96 1d9i s ARG 35 Ca -0.14 1.62 -0.25 0.00 -0.13 0.00 0.00 55.73 56.84 1d9i s ARG 35 Cb -0.17 -3.39 -0.18 0.00 -1.56 0.00 0.00 34.95 29.65 1d9i s ARG 35 CO 0.07 -0.16 1.49 0.87 -0.81 0.00 0.00 175.30 176.76 1d9i h LYS 36 N 6.76 -0.04 -1.83 5.12 1.57 -1.77 -2.71 116.57 123.67 1d9i h LYS 36 Ca -0.41 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.23 1d9i h LYS 36 Cb 1.22 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 1d9i h LYS 36 CO 0.78 0.21 -0.47 0.45 -0.57 0.00 0.00 179.45 179.85 1d9i s SER 36 N -5.40 0.14 0.55 0.86 0.15 -1.26 -3.37 113.70 105.38 1d9i s SER 36 Ca -0.14 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.54 1d9i s SER 36 Cb 0.04 1.18 -0.06 0.00 -1.71 0.00 0.00 66.02 65.47 1d9i s SER 36 CO 0.66 -0.30 1.03 -0.81 1.20 0.00 0.00 173.24 175.02 1d9i n PRO 37 N 5.37 1.12 -2.66 5.44 -0.04 -1.26 -5.07 135.00 137.89 1d9i n PRO 37 Ca -0.03 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.43 1d9i n PRO 37 Cb 0.50 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 1d9i n PRO 37 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1d9i s GLN 38 N -2.60 3.23 0.09 0.54 -0.21 -1.22 -4.46 119.66 115.03 1d9i s GLN 38 Ca 0.72 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 55.37 1d9i s GLN 38 Cb -0.45 -4.37 0.02 0.00 1.00 0.00 0.00 33.01 29.21 1d9i s GLN 38 CO 0.50 -2.04 0.32 -1.83 -2.12 0.00 0.00 175.29 170.12 1d9i s GLU 39 N 4.99 0.94 -0.16 2.91 -1.05 -1.02 -4.98 118.70 120.32 1d9i s GLU 39 Ca 0.32 -0.72 -0.28 0.00 -0.15 0.00 0.00 54.97 54.14 1d9i s GLU 39 Cb -0.10 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1d9i s GLU 39 CO 0.09 -0.33 0.95 -1.17 0.95 0.00 0.00 175.26 175.75 1d9i s LEU 40 N -2.62 4.19 -0.22 1.83 0.20 -1.26 0.51 118.68 121.31 1d9i s LEU 40 Ca 0.01 1.37 -0.12 0.00 0.69 0.00 0.00 54.13 56.09 1d9i s LEU 40 Cb 0.02 -3.44 -0.18 0.00 -0.43 0.00 0.00 46.19 42.16 1d9i s LEU 40 CO -0.09 -0.48 -0.01 0.00 -0.29 0.00 0.00 176.35 175.48 1d9i n LEU 41 N 5.38 2.28 0.00 -0.68 -0.00 0.38 -4.92 117.00 119.44 1d9i n LEU 41 Ca 0.08 0.24 -0.11 0.00 -0.00 0.00 0.00 56.01 56.22 1d9i n LEU 41 Cb 0.48 -0.95 -0.01 0.00 -0.00 0.00 0.00 43.42 42.94 1d9i n LEU 41 CO 0.51 0.62 0.25 0.00 -0.00 0.00 0.00 177.39 178.77 1d9i s GLY 43 N -2.89 1.82 0.02 0.00 0.00 0.31 0.46 107.32 107.05 1d9i s GLY 43 Ca 0.22 -1.78 -0.29 0.00 0.00 0.00 0.00 44.72 42.87 1d9i s GLY 43 CO 0.16 -1.42 1.23 0.00 0.00 0.00 0.00 173.10 173.07 1d9i s ALA 44 N -2.67 -2.16 0.15 3.20 0.00 -0.99 -3.35 121.76 115.94 1d9i s ALA 44 Ca 0.60 0.43 0.06 0.00 0.00 0.00 0.00 51.96 53.04 1d9i s ALA 44 Cb -0.08 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1d9i s ALA 44 CO 0.38 -1.07 -0.13 -1.54 0.00 0.00 0.00 175.76 173.40 1d9i s SER 45 N -3.15 2.05 -0.41 0.00 1.04 -0.09 -1.27 113.70 111.86 1d9i s SER 45 Ca 0.17 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 1d9i s SER 45 Cb 0.03 -0.06 0.09 0.00 0.10 0.00 0.00 66.02 66.18 1d9i s SER 45 CO -0.02 -0.22 0.23 -0.22 0.98 0.00 0.00 173.24 173.99 1d9i s LEU 46 N -2.92 5.13 -0.08 2.42 0.20 -0.16 0.05 118.68 123.33 1d9i s LEU 46 Ca 0.15 -1.72 0.13 0.00 0.69 0.00 0.00 54.13 53.38 1d9i s LEU 46 Cb -0.01 -1.91 -0.24 0.00 -0.43 0.00 0.00 46.19 43.60 1d9i s LEU 46 CO 0.03 -0.53 0.52 2.30 -0.29 0.00 0.00 176.35 178.38 1d9i n ILE 47 N 4.78 1.57 -3.15 6.68 -5.35 -1.05 -2.00 119.36 120.84 1d9i n ILE 47 Ca -0.07 -0.80 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1d9i n ILE 47 Cb 0.42 -0.96 0.00 0.00 -1.74 0.00 0.00 39.64 37.36 1d9i n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1d9i n SER 48 N -3.01 0.39 -0.00 7.28 2.88 -1.19 -4.64 113.62 115.33 1d9i n SER 48 Ca -0.21 -0.15 0.10 0.00 -1.33 0.00 0.00 58.87 57.28 1d9i n SER 48 Cb 1.07 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 64.39 1d9i n SER 48 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1d9i n ASP 49 N -0.40 0.57 -0.00 -3.46 3.85 -1.26 -4.44 116.55 111.40 1d9i n ASP 49 Ca 0.00 -0.52 0.04 0.00 -0.71 0.00 0.00 54.79 53.60 1d9i n ASP 49 Cb 0.00 1.46 -0.05 0.00 -1.35 0.00 0.00 41.12 41.18 1d9i n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1d9i n ARG 50 N -1.85 2.36 -5.11 0.11 5.12 -1.26 -1.73 116.66 114.30 1d9i n ARG 50 Ca 0.00 -0.04 -0.28 0.00 -1.93 0.00 0.00 57.85 55.60 1d9i n ARG 50 Cb 0.43 -1.02 -0.16 0.00 -1.16 0.00 0.00 32.46 30.55 1d9i n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1d9i s TRP 51 N -2.13 2.02 0.01 -1.55 0.52 -1.26 0.30 118.94 116.84 1d9i s TRP 51 Ca 0.00 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1d9i s TRP 51 Cb 0.05 -1.30 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 1d9i s TRP 51 CO 0.32 -0.04 -0.21 0.08 0.02 0.00 0.00 176.95 177.12 1d9i s VAL 52 N -0.51 1.69 -0.15 4.03 1.01 -1.04 -2.52 120.40 122.92 1d9i s VAL 52 Ca 0.08 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 1d9i s VAL 52 Cb -0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 1d9i s VAL 52 CO -0.01 0.38 -0.10 -0.22 0.00 0.00 0.00 175.10 175.15 1d9i s LEU 53 N -0.76 2.87 0.00 3.92 2.96 0.11 -2.69 118.68 125.08 1d9i s LEU 53 Ca 0.08 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1d9i s LEU 53 Cb -0.08 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.94 1d9i s LEU 53 CO 0.00 0.15 0.00 1.07 -1.32 0.00 0.00 176.35 176.25 1d9i n THR 54 N 3.67 0.00 -3.40 3.68 5.66 -0.67 -0.91 114.28 122.30 1d9i n THR 54 Ca -0.18 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.50 1d9i n THR 54 Cb 0.52 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.25 1d9i n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d9i s ALA 55 N -2.00 3.56 0.17 1.79 0.00 -1.26 -2.73 121.76 121.28 1d9i s ALA 55 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1d9i s ALA 55 Cb 0.00 -2.46 0.06 0.00 0.00 0.00 0.00 23.12 20.72 1d9i s ALA 55 CO 0.00 0.49 1.67 0.00 0.00 0.00 0.00 175.76 177.92 1d9i h ALA 56 N 2.70 0.76 0.00 0.00 0.00 -1.74 -2.84 119.26 118.15 1d9i h ALA 56 Ca -0.47 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1d9i h ALA 56 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1d9i h ALA 56 CO 0.68 0.49 0.06 -2.39 0.00 0.00 0.00 179.25 178.09 1d9i n HIS 57 N -4.36 0.33 0.13 0.00 1.44 -1.26 -0.57 115.22 110.93 1d9i n HIS 57 Ca 0.03 0.17 -0.20 0.00 -2.01 0.00 0.00 57.72 55.71 1d9i n HIS 57 Cb 0.25 -0.73 -0.15 0.00 0.12 0.00 0.00 29.99 29.48 1d9i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1d9i h LEU 59 N 0.11 0.39 -6.42 0.00 3.38 -0.97 -3.45 115.31 108.35 1d9i h LEU 59 Ca -0.20 -0.66 -0.08 0.00 0.09 0.00 0.00 57.88 57.03 1d9i h LEU 59 Cb 2.07 -0.13 -0.27 0.00 0.09 0.00 0.00 40.66 42.43 1d9i h LEU 59 CO 0.24 1.57 -0.41 -0.22 0.09 0.00 0.00 178.44 179.71 1d9i s LEU 60 N -6.93 -0.83 0.15 1.67 2.96 -0.45 0.18 118.68 115.44 1d9i s LEU 60 Ca -0.14 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1d9i s LEU 60 Cb 0.07 1.41 -0.03 0.00 0.50 0.00 0.00 46.19 48.14 1d9i s LEU 60 CO 0.82 -0.28 0.16 -0.47 -1.32 0.00 0.00 176.35 175.26 1d9i s TYR 60 N 2.63 0.66 0.00 5.38 5.04 0.18 -4.25 117.35 126.99 1d9i s TYR 60 Ca 0.13 -1.02 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 1d9i s TYR 60 Cb -0.15 -0.29 0.00 0.00 0.35 0.00 0.00 41.96 41.87 1d9i s TYR 60 CO -0.17 -0.61 0.00 -2.30 -1.34 0.00 0.00 175.55 171.13 1d9i n PRO 60 N -0.15 0.00 -0.23 4.97 -0.02 -1.26 -0.42 135.00 137.90 1d9i n PRO 60 Ca -0.06 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.48 1d9i n PRO 60 Cb 0.63 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.28 1d9i n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1d9i n TRP 60 N 0.00 0.55 -1.52 6.00 8.01 -1.26 -4.94 117.44 124.27 1d9i n TRP 60 Ca 0.00 -0.58 -0.12 0.00 -1.31 0.00 0.00 57.50 55.49 1d9i n TRP 60 Cb 0.00 -0.09 -0.04 0.00 -2.01 0.00 0.00 31.31 29.17 1d9i n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1d9i n ASP 60 N 0.27 -4.32 -4.72 -0.99 9.92 -0.99 -4.99 116.55 110.73 1d9i n ASP 60 Ca 0.13 0.24 -0.38 0.00 -0.53 0.00 0.00 54.79 54.25 1d9i n ASP 60 Cb 0.52 -3.00 -0.06 0.00 -0.64 0.00 0.00 41.12 37.93 1d9i n ASP 60 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1d9i s LYS 60 N -3.32 4.34 -0.35 -1.24 2.20 0.45 -4.98 119.74 116.84 1d9i s LYS 60 Ca 0.00 0.47 -0.07 0.00 -0.36 0.00 0.00 55.97 56.01 1d9i s LYS 60 Cb 0.00 -3.43 0.20 0.00 -1.51 0.00 0.00 37.83 33.09 1d9i s LYS 60 CO 0.00 0.16 1.05 1.21 -0.36 0.00 0.00 175.35 177.42 1d9i s ASN 60 N 0.59 -0.38 0.25 1.43 3.04 -1.15 0.50 114.94 119.22 1d9i s ASN 60 Ca 0.26 -0.35 -0.11 0.00 0.04 0.00 0.00 52.86 52.71 1d9i s ASN 60 Cb -0.15 0.49 -0.08 0.00 -1.54 0.00 0.00 41.25 39.97 1d9i s ASN 60 CO 0.11 -0.02 0.58 -0.36 -3.04 0.00 0.00 177.10 174.36 1d9i s PHE 60 N 1.36 3.41 0.20 0.43 0.08 0.49 -4.98 117.98 118.97 1d9i s PHE 60 Ca 0.20 0.93 0.10 0.00 0.12 0.00 0.00 56.93 58.28 1d9i s PHE 60 Cb 0.08 -2.31 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 1d9i s PHE 60 CO -0.12 0.24 -0.11 0.99 -0.10 0.00 0.00 175.22 176.12 1d9i s THR 60 N -1.85 3.06 -0.09 0.64 2.01 -1.26 -4.85 115.64 113.30 1d9i s THR 60 Ca 0.49 -1.81 0.00 0.00 0.31 0.00 0.00 61.69 60.68 1d9i s THR 60 Cb -0.11 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.86 1d9i s THR 60 CO 0.21 -0.17 0.63 -1.84 -0.69 0.00 0.00 174.62 172.75 1d9i n GLU 61 N -0.13 0.67 0.00 4.92 0.00 -1.26 -1.83 120.64 123.01 1d9i n GLU 61 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1d9i n GLU 61 Cb 0.56 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.82 1d9i n GLU 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1d9i n ASN 62 N 0.62 0.03 -0.99 -1.84 3.02 -1.26 -4.46 115.26 110.37 1d9i n ASN 62 Ca 0.00 -0.41 0.12 0.00 -0.03 0.00 0.00 54.58 54.26 1d9i n ASN 62 Cb 0.32 0.74 0.19 0.00 -0.61 0.00 0.00 39.78 40.41 1d9i n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1d9i n ASP 63 N -0.74 3.03 -4.23 6.41 10.43 -0.76 -4.91 116.55 125.79 1d9i n ASP 63 Ca 0.00 -1.95 -0.16 0.00 2.57 0.00 0.00 54.79 55.25 1d9i n ASP 63 Cb 0.00 -0.11 -0.11 0.00 1.84 0.00 0.00 41.12 42.75 1d9i n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1d9i s LEU 64 N -1.77 2.44 -0.04 0.64 1.43 -1.25 -2.38 118.68 117.75 1d9i s LEU 64 Ca 0.33 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1d9i s LEU 64 Cb 0.21 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 46.03 1d9i s LEU 64 CO 0.31 -0.23 -0.01 -0.76 0.23 0.00 0.00 176.35 175.89 1d9i s LEU 65 N -2.66 1.16 -0.19 1.79 1.02 0.15 -4.57 118.68 115.38 1d9i s LEU 65 Ca 0.10 -0.06 -0.14 0.00 0.02 0.00 0.00 54.13 54.06 1d9i s LEU 65 Cb -0.02 -0.30 -0.04 0.00 0.02 0.00 0.00 46.19 45.84 1d9i s LEU 65 CO 0.02 -0.09 0.29 -0.69 0.02 0.00 0.00 176.35 175.90 1d9i s VAL 66 N 1.07 5.29 -0.32 -1.59 1.01 -0.51 -0.03 120.40 125.32 1d9i s VAL 66 Ca -0.09 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1d9i s VAL 66 Cb -0.14 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1d9i s VAL 66 CO -0.01 0.35 0.10 -0.13 0.00 0.00 0.00 175.10 175.40 1d9i s ARG 67 N 0.79 2.79 -0.12 2.72 0.52 -0.50 -0.66 118.95 124.49 1d9i s ARG 67 Ca 0.15 -1.06 -0.03 0.00 -0.52 0.00 0.00 55.73 54.27 1d9i s ARG 67 Cb -0.13 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.87 1d9i s ARG 67 CO 0.05 -0.59 -0.01 0.42 0.02 0.00 0.00 175.30 175.19 1d9i s ILE 68 N 1.44 4.17 0.00 1.52 1.09 0.31 -1.48 121.20 128.25 1d9i s ILE 68 Ca -0.00 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.27 1d9i s ILE 68 Cb -0.19 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.43 1d9i s ILE 68 CO 0.03 0.56 0.00 0.61 -0.10 0.00 0.00 174.94 176.03 1d9i n GLY 69 N 2.72 0.91 3.92 6.18 0.00 -1.26 0.80 105.19 118.46 1d9i n GLY 69 Ca -0.18 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1d9i n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d9i s LYS 70 N -0.60 3.05 0.00 1.61 1.02 -1.26 -4.23 119.74 119.33 1d9i s LYS 70 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1d9i s LYS 70 Cb 0.00 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1d9i s LYS 70 CO 0.00 -0.52 0.00 1.58 -0.92 0.00 0.00 175.35 175.49 1d9i n HIS 71 N -2.41 0.00 -1.94 3.18 -0.00 -1.26 -4.98 115.22 107.81 1d9i n HIS 71 Ca 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.41 1d9i n HIS 71 Cb 0.57 0.32 0.03 0.00 -0.00 0.00 0.00 29.99 30.92 1d9i n HIS 71 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1d9i s SER 72 N -3.56 5.26 -0.13 0.26 1.04 -1.26 -0.96 113.70 114.35 1d9i s SER 72 Ca 0.00 2.13 -0.05 0.00 0.48 0.00 0.00 55.95 58.51 1d9i s SER 72 Cb 0.00 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.30 1d9i s SER 72 CO 0.00 -1.53 0.32 -1.14 0.98 0.00 0.00 173.24 171.87 1d9i n ARG 73 N -1.95 0.74 0.00 4.02 0.63 0.10 -4.62 116.66 115.58 1d9i n ARG 73 Ca 0.11 0.25 -0.20 0.00 -0.92 0.00 0.00 57.85 57.09 1d9i n ARG 73 Cb 0.51 -1.69 -0.14 0.00 0.45 0.00 0.00 32.46 31.59 1d9i n ARG 73 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1d9i h THR 74 N 0.06 1.30 -3.63 5.15 1.35 -1.90 -3.49 112.91 111.76 1d9i h THR 74 Ca -0.43 -2.42 -0.50 0.00 -0.55 0.00 0.00 66.41 62.51 1d9i h THR 74 Cb 2.02 2.94 0.02 0.00 -1.73 0.00 0.00 68.15 71.41 1d9i h THR 74 CO 0.07 0.66 0.11 -0.13 -0.25 0.00 0.00 175.52 175.98 1d9i s ARG 75 N -2.41 3.65 -0.78 4.72 3.00 -1.26 -5.02 118.95 120.84 1d9i s ARG 75 Ca -0.18 0.32 -0.16 0.00 0.00 0.00 0.00 55.73 55.71 1d9i s ARG 75 Cb 0.02 -2.39 0.18 0.00 0.00 0.00 0.00 34.95 32.76 1d9i s ARG 75 CO 0.76 -0.12 0.79 -0.47 0.00 0.00 0.00 175.30 176.26 1d9i s TYR 76 N -2.57 3.49 -0.96 -0.53 5.04 -1.26 -4.91 117.35 115.65 1d9i s TYR 76 Ca 0.49 -1.67 -0.25 0.00 -2.44 0.00 0.00 57.07 53.20 1d9i s TYR 76 Cb -0.10 -3.92 -0.12 0.00 0.35 0.00 0.00 41.96 38.17 1d9i s TYR 76 CO 0.39 -1.12 2.12 -1.21 -1.34 0.00 0.00 175.55 174.38 1d9i s GLU 77 N 1.10 1.99 0.01 4.97 2.02 -1.26 -4.87 118.70 122.66 1d9i s GLU 77 Ca 0.18 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.90 1d9i s GLU 77 Cb -0.14 -5.00 -0.00 0.00 0.10 0.00 0.00 34.13 29.09 1d9i s GLU 77 CO -0.06 -4.23 0.23 -2.13 0.02 0.00 0.00 175.26 169.10 1d9i n ARG 77 N 8.61 -0.02 -0.06 1.61 0.63 -1.26 -1.77 116.66 124.40 1d9i n ARG 77 Ca 0.43 0.23 0.04 0.00 -0.92 0.00 0.00 57.85 57.63 1d9i n ARG 77 Cb 0.46 -0.35 0.07 0.00 0.45 0.00 0.00 32.46 33.09 1d9i n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1d9i n ASN 78 N -2.61 2.12 -0.08 6.15 5.03 -1.26 -4.76 115.26 119.85 1d9i n ASN 78 Ca 0.00 -1.64 -0.21 0.00 0.87 0.00 0.00 54.58 53.61 1d9i n ASN 78 Cb 0.01 -0.08 -0.12 0.00 -1.02 0.00 0.00 39.78 38.57 1d9i n ASN 78 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 1d9i n ILE 79 N 0.34 1.60 -3.56 2.41 -5.35 -0.84 -5.01 119.36 108.95 1d9i n ILE 79 Ca 0.06 -0.54 -0.30 0.00 -0.27 0.00 0.00 62.75 61.70 1d9i n ILE 79 Cb 0.28 -1.62 -0.04 0.00 -1.74 0.00 0.00 39.64 36.52 1d9i n ILE 79 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1d9i s GLU 80 N -2.52 3.63 -0.02 6.28 -1.05 -0.73 -4.79 118.70 119.51 1d9i s GLU 80 Ca -0.31 -0.06 0.05 0.00 -0.15 0.00 0.00 54.97 54.50 1d9i s GLU 80 Cb 0.09 -2.77 -0.01 0.00 -0.44 0.00 0.00 34.13 30.99 1d9i s GLU 80 CO 0.65 0.37 -0.18 0.15 0.95 0.00 0.00 175.26 177.20 1d9i s LYS 81 N -3.02 1.50 -0.18 -4.83 1.02 0.24 -4.90 119.74 109.56 1d9i s LYS 81 Ca 0.42 -0.65 -0.02 0.00 0.02 0.00 0.00 55.97 55.75 1d9i s LYS 81 Cb -0.11 -1.43 -0.00 0.00 -0.52 0.00 0.00 37.83 35.76 1d9i s LYS 81 CO 0.26 0.38 -0.11 0.42 -0.92 0.00 0.00 175.35 175.39 1d9i s ILE 82 N -0.39 2.97 0.29 2.17 1.01 -1.26 0.11 121.20 126.11 1d9i s ILE 82 Ca 0.06 -0.65 0.11 0.00 0.00 0.00 0.00 60.65 60.17 1d9i s ILE 82 Cb -0.07 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 1d9i s ILE 82 CO -0.00 0.48 -0.10 -0.44 0.00 0.00 0.00 174.94 174.87 1d9i s SER 83 N 1.10 3.94 0.05 3.58 0.01 0.16 -4.96 113.70 117.58 1d9i s SER 83 Ca 0.01 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.35 1d9i s SER 83 Cb -0.14 -0.48 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1d9i s SER 83 CO -0.03 -0.04 -0.01 -0.04 0.41 0.00 0.00 173.24 173.53 1d9i s MET 84 N -3.60 2.63 0.19 12.44 -1.94 -1.26 -1.42 119.30 126.34 1d9i s MET 84 Ca 0.31 -0.74 -0.20 0.00 -1.71 0.00 0.00 55.69 53.35 1d9i s MET 84 Cb -0.04 -2.58 -0.08 0.00 2.01 0.00 0.00 34.83 34.15 1d9i s MET 84 CO 0.17 0.58 0.70 -0.51 -0.01 0.00 0.00 175.02 175.95 1d9i s LEU 85 N -1.91 4.39 -0.17 -0.03 1.43 -1.26 0.84 118.68 121.96 1d9i s LEU 85 Ca 0.22 1.39 0.11 0.00 -1.03 0.00 0.00 54.13 54.83 1d9i s LEU 85 Cb -0.12 -3.45 -0.19 0.00 0.03 0.00 0.00 46.19 42.47 1d9i s LEU 85 CO 0.14 0.08 -0.00 1.21 0.23 0.00 0.00 176.35 178.01 1d9i n GLU 86 N 0.93 1.13 -3.58 1.70 2.13 0.33 -4.58 120.64 118.70 1d9i n GLU 86 Ca -0.04 0.02 -0.14 0.00 0.66 0.00 0.00 57.16 57.67 1d9i n GLU 86 Cb 0.51 -1.42 -0.06 0.00 0.27 0.00 0.00 31.44 30.74 1d9i n GLU 86 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1d9i s LYS 87 N -2.40 0.81 0.02 5.31 -0.14 -1.15 -4.98 119.74 117.20 1d9i s LYS 87 Ca -0.13 0.47 0.03 0.00 -1.36 0.00 0.00 55.97 54.98 1d9i s LYS 87 Cb 0.05 0.39 -0.04 0.00 -1.68 0.00 0.00 37.83 36.56 1d9i s LYS 87 CO 0.63 -0.20 -0.05 0.42 -0.76 0.00 0.00 175.35 175.39 1d9i s ILE 88 N -0.56 3.77 -0.32 2.17 1.01 -1.26 -2.04 121.20 123.96 1d9i s ILE 88 Ca -0.04 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1d9i s ILE 88 Cb -0.02 -2.67 0.11 0.00 0.01 0.00 0.00 42.46 39.89 1d9i s ILE 88 CO 0.03 0.34 0.16 -0.31 0.00 0.00 0.00 174.94 175.16 1d9i s TYR 89 N -1.06 0.65 0.47 3.97 1.51 -0.18 -5.00 117.35 117.70 1d9i s TYR 89 Ca 0.19 -1.26 -0.10 0.00 -1.01 0.00 0.00 57.07 54.88 1d9i s TYR 89 Cb -0.11 -1.02 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1d9i s TYR 89 CO 0.10 -0.83 0.84 0.42 -1.11 0.00 0.00 175.55 174.96 1d9i s ILE 90 N 1.65 4.76 0.10 2.71 -1.09 -1.26 -1.78 121.20 126.29 1d9i s ILE 90 Ca 0.12 0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 58.89 1d9i s ILE 90 Cb -0.19 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 1d9i s ILE 90 CO -0.22 -0.70 1.65 -2.28 -1.23 0.00 0.00 174.94 172.17 1d9i s HIS 91 N -2.59 2.56 0.25 3.97 2.46 -0.91 -4.86 115.29 116.17 1d9i s HIS 91 Ca 0.52 0.36 -0.04 0.00 0.47 0.00 0.00 55.06 56.37 1d9i s HIS 91 Cb -0.10 -3.98 0.52 0.00 -0.13 0.00 0.00 32.58 28.88 1d9i s HIS 91 CO 0.37 -3.87 1.66 -1.35 -2.47 0.00 0.00 174.74 169.08 1d9i h PRO 92 N 7.94 0.21 -1.28 2.88 0.11 -1.93 -1.16 132.00 138.77 1d9i h PRO 92 Ca -0.43 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 1d9i h PRO 92 Cb 1.20 -0.05 -0.31 0.00 0.11 0.00 0.00 31.00 31.95 1d9i h PRO 92 CO 0.93 0.14 0.60 0.54 -0.21 0.00 0.00 178.00 179.99 1d9i n ARG 93 N -5.21 2.88 -2.23 1.05 1.74 -1.26 -4.95 116.66 108.67 1d9i n ARG 93 Ca 0.16 -3.55 -0.42 0.00 -0.77 0.00 0.00 57.85 53.26 1d9i n ARG 93 Cb 0.52 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1d9i n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1d9i s TYR 94 N -3.85 3.29 -1.08 -1.55 5.04 -0.44 -4.64 117.35 114.11 1d9i s TYR 94 Ca 0.58 1.07 -0.05 0.00 -2.44 0.00 0.00 57.07 56.24 1d9i s TYR 94 Cb 0.47 -3.61 0.31 0.00 0.35 0.00 0.00 41.96 39.47 1d9i s TYR 94 CO -0.13 -2.06 1.44 -1.71 -1.34 0.00 0.00 175.55 171.75 1d9i n ASN 95 N 3.74 6.33 0.24 4.32 5.15 -0.09 -4.87 115.26 130.08 1d9i n ASN 95 Ca 0.10 -3.37 0.16 0.00 -0.60 0.00 0.00 54.58 50.87 1d9i n ASN 95 Cb 0.43 -1.28 0.74 0.00 -0.53 0.00 0.00 39.78 39.14 1d9i n ASN 95 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1d9i h TRP 96 N 5.57 0.00 0.00 1.20 5.08 -1.93 -1.43 115.95 124.44 1d9i h TRP 96 Ca 0.20 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.17 1d9i h TRP 96 Cb 0.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 1d9i h TRP 96 CO 0.99 0.00 -0.23 0.00 -1.28 0.00 0.00 178.44 177.91 1d9i h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -1.99 -3.44 114.38 112.15 1d9i h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1d9i h ARG 97 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1d9i h ARG 97 CO 0.00 0.00 -0.35 -1.91 -1.07 0.00 0.00 179.97 176.64 1d9i n GLU 97 N -2.51 0.00 0.00 0.04 2.13 -1.05 -5.02 120.64 114.22 1d9i n GLU 97 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1d9i n GLU 97 Cb 0.47 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1d9i n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1d9i n ASN 98 N -3.22 0.00 -0.94 4.31 6.94 -1.15 -4.93 115.26 116.27 1d9i n ASN 98 Ca 0.00 -1.00 -0.09 0.00 -0.02 0.00 0.00 54.58 53.47 1d9i n ASN 98 Cb 0.17 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.58 1d9i n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1d9i n LEU 99 N 0.00 -1.16 -4.74 -4.53 4.77 -0.57 -4.96 117.00 105.81 1d9i n LEU 99 Ca 0.00 0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1d9i n LEU 99 Cb 0.44 -1.59 -0.02 0.00 -2.33 0.00 0.00 43.42 39.93 1d9i n LEU 99 CO 0.00 -0.24 1.29 -0.62 -1.33 0.00 0.00 177.39 176.48 1d9i s ASP 100 N -2.69 6.35 -0.87 -1.43 3.68 -1.25 -2.84 116.67 117.61 1d9i s ASP 100 Ca 0.00 2.95 -0.01 0.00 2.13 0.00 0.00 52.55 57.62 1d9i s ASP 100 Cb 0.00 -2.63 0.00 0.00 -1.45 0.00 0.00 42.92 38.84 1d9i s ASP 100 CO 0.00 -0.95 0.73 0.54 0.13 0.00 0.00 175.17 175.63 1d9i n ARG 101 N 2.60 -4.86 -2.06 4.34 1.74 -1.26 -0.91 116.66 116.25 1d9i n ARG 101 Ca 0.10 0.59 -0.42 0.00 -0.77 0.00 0.00 57.85 57.36 1d9i n ARG 101 Cb 0.37 -4.87 -0.01 0.00 -1.02 0.00 0.00 32.46 26.93 1d9i n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1d9i n ASP 102 N -2.31 4.17 -3.83 0.55 2.03 -1.13 -4.32 116.55 111.71 1d9i n ASP 102 Ca -0.16 -2.85 -0.12 0.00 0.52 0.00 0.00 54.79 52.18 1d9i n ASP 102 Cb 0.60 -1.66 -0.12 0.00 -0.72 0.00 0.00 41.12 39.22 1d9i n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1d9i s ILE 103 N 4.20 0.01 -0.00 5.18 2.07 -1.26 -3.39 121.20 128.00 1d9i s ILE 103 Ca 0.52 -0.09 -0.14 0.00 -1.41 0.00 0.00 60.65 59.52 1d9i s ILE 103 Cb 0.09 -0.25 0.02 0.00 0.13 0.00 0.00 42.46 42.45 1d9i s ILE 103 CO 0.01 -0.05 0.30 0.00 -1.91 0.00 0.00 174.94 173.29 1d9i s ALA 104 N -0.11 -0.74 0.01 1.50 0.00 -1.11 -2.15 121.76 119.16 1d9i s ALA 104 Ca -0.02 0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.28 1d9i s ALA 104 Cb -0.02 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1d9i s ALA 104 CO 0.00 -0.28 -0.26 -0.51 0.00 0.00 0.00 175.76 174.71 1d9i s LEU 105 N -1.45 2.11 0.08 0.00 1.43 -0.73 -1.67 118.68 118.44 1d9i s LEU 105 Ca -0.12 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.54 1d9i s LEU 105 Cb -0.05 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 1d9i s LEU 105 CO 0.03 0.29 -0.23 -0.04 0.23 0.00 0.00 176.35 176.63 1d9i s MET 106 N -0.91 1.43 -0.11 1.70 -1.94 -1.10 -1.01 119.30 117.36 1d9i s MET 106 Ca 0.11 -1.12 0.03 0.00 -1.71 0.00 0.00 55.69 53.00 1d9i s MET 106 Cb -0.10 -1.67 0.00 0.00 2.01 0.00 0.00 34.83 35.07 1d9i s MET 106 CO 0.00 0.41 -0.22 0.21 -0.01 0.00 0.00 175.02 175.42 1d9i s LYS 107 N -1.54 2.93 0.39 2.03 2.20 -0.87 -2.50 119.74 122.38 1d9i s LYS 107 Ca 0.10 -0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 54.63 1d9i s LYS 107 Cb -0.10 -2.28 -0.09 0.00 -1.51 0.00 0.00 37.83 33.85 1d9i s LYS 107 CO 0.03 0.09 1.07 -0.51 -0.36 0.00 0.00 175.35 175.67 1d9i s LEU 108 N 0.55 4.18 0.18 5.43 1.43 0.15 0.12 118.68 130.72 1d9i s LEU 108 Ca -0.14 2.10 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 1d9i s LEU 108 Cb -0.17 -4.12 0.15 0.00 0.03 0.00 0.00 46.19 42.08 1d9i s LEU 108 CO 0.04 -0.49 1.70 0.50 0.23 0.00 0.00 176.35 178.33 1d9i h LYS 109 N 2.63 0.12 -4.72 1.70 3.64 0.19 -3.41 116.57 116.72 1d9i h LYS 109 Ca -0.48 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 58.59 1d9i h LYS 109 Cb 1.22 -0.03 -0.21 0.00 -0.41 0.00 0.00 32.23 32.80 1d9i h LYS 109 CO 0.63 0.08 -0.74 0.15 -2.27 0.00 0.00 179.45 177.29 1d9i s LYS 110 N -6.17 0.59 0.63 1.90 -0.14 -1.26 -4.94 119.74 110.34 1d9i s LYS 110 Ca -0.13 -0.79 -0.17 0.00 -1.36 0.00 0.00 55.97 53.52 1d9i s LYS 110 Cb 0.15 -0.40 -0.02 0.00 -1.68 0.00 0.00 37.83 35.88 1d9i s LYS 110 CO 0.72 0.08 1.18 -1.25 -0.76 0.00 0.00 175.35 175.31 1d9i s PRO 111 N -1.58 2.82 0.03 -1.68 0.04 -1.26 -4.90 135.00 128.46 1d9i s PRO 111 Ca -0.08 1.70 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1d9i s PRO 111 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1d9i s PRO 111 CO 0.01 -1.29 0.18 0.14 0.04 0.00 0.00 177.00 176.08 1d9i s VAL 112 N -1.85 5.32 -0.06 -0.36 -7.23 -0.71 -5.02 120.40 110.50 1d9i s VAL 112 Ca 0.74 -0.31 -0.14 0.00 -1.81 0.00 0.00 61.98 60.46 1d9i s VAL 112 Cb -0.27 -3.53 -0.05 0.00 0.56 0.00 0.00 36.38 33.08 1d9i s VAL 112 CO 0.36 0.24 0.36 0.00 -0.31 0.00 0.00 175.10 175.75 1d9i s ALA 113 N -1.40 3.67 0.42 1.32 0.00 -1.26 -4.85 121.76 119.66 1d9i s ALA 113 Ca 0.30 -0.31 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1d9i s ALA 113 Cb -0.13 -2.37 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 1d9i s ALA 113 CO 0.23 0.35 1.00 -0.06 0.00 0.00 0.00 175.76 177.28 1d9i s PHE 114 N -0.52 3.25 0.30 0.00 0.08 -1.26 -4.88 117.98 114.94 1d9i s PHE 114 Ca 0.21 1.63 -0.05 0.00 0.12 0.00 0.00 56.93 58.85 1d9i s PHE 114 Cb -0.15 -3.00 -0.00 0.00 -0.57 0.00 0.00 43.02 39.29 1d9i s PHE 114 CO 0.10 -0.43 0.43 -1.54 -0.10 0.00 0.00 175.22 173.68 1d9i s SER 115 N -1.88 0.55 0.61 1.36 1.04 -1.07 -4.96 113.70 109.35 1d9i s SER 115 Ca 0.61 -1.32 0.27 0.00 0.48 0.00 0.00 55.95 55.98 1d9i s SER 115 Cb -0.16 0.61 1.13 0.00 0.10 0.00 0.00 66.02 67.70 1d9i s SER 115 CO 0.20 -1.20 1.55 0.44 0.98 0.00 0.00 173.24 175.21 1d9i h ASP 116 N 2.21 0.00 0.00 7.02 3.45 -1.97 -2.77 116.42 124.36 1d9i h ASP 116 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1d9i h ASP 116 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 1d9i h ASP 116 CO 0.40 0.00 -1.19 -1.22 -1.57 0.00 0.00 179.24 175.65 1d9i n TYR 117 N -3.36 0.00 -4.03 4.55 4.02 -1.26 -4.35 117.16 112.73 1d9i n TYR 117 Ca 0.15 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.71 1d9i n TYR 117 Cb 1.12 -0.17 -0.15 0.00 -0.02 0.00 0.00 39.34 40.12 1d9i n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1d9i s ILE 118 N -2.72 2.49 -0.29 -0.72 1.01 -1.05 -4.29 121.20 115.64 1d9i s ILE 118 Ca 0.00 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.40 1d9i s ILE 118 Cb 0.10 -2.23 0.14 0.00 0.01 0.00 0.00 42.46 40.48 1d9i s ILE 118 CO 0.62 0.27 0.94 -2.28 0.00 0.00 0.00 174.94 174.50 1d9i s HIS 119 N 1.28 -0.63 0.55 3.97 2.46 0.75 -2.61 115.29 121.06 1d9i s HIS 119 Ca 0.00 1.25 -0.21 0.00 0.47 0.00 0.00 55.06 56.57 1d9i s HIS 119 Cb -0.16 0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.62 1d9i s HIS 119 CO -0.07 -0.31 1.31 -1.25 -2.47 0.00 0.00 174.74 171.95 1d9i s PRO 120 N 1.41 3.12 0.37 2.88 0.04 -1.25 -2.44 135.00 139.13 1d9i s PRO 120 Ca -0.09 2.11 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 1d9i s PRO 120 Cb -0.04 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 1d9i s PRO 120 CO -0.15 -1.16 0.59 0.54 0.04 0.00 0.00 177.00 176.85 1d9i s VAL 121 N -1.38 4.94 0.48 -0.36 0.11 -0.85 -1.56 120.40 121.78 1d9i s VAL 121 Ca 0.73 -0.40 -0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1d9i s VAL 121 Cb -0.37 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 30.66 1d9i s VAL 121 CO 0.43 -0.56 0.73 0.00 -3.33 0.00 0.00 175.10 172.38 1d9i s LEU 123 N -4.67 2.46 0.95 0.00 1.43 -1.26 -0.71 118.68 116.88 1d9i s LEU 123 Ca 0.49 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1d9i s LEU 123 Cb -0.10 -1.53 0.16 0.00 0.03 0.00 0.00 46.19 44.75 1d9i s LEU 123 CO 0.40 0.15 1.11 -2.16 0.23 0.00 0.00 176.35 176.09 1d9i s PRO 124 N 0.41 0.79 0.26 1.29 0.04 -1.26 -4.95 135.00 131.58 1d9i s PRO 124 Ca -0.13 1.33 0.10 0.00 0.04 0.00 0.00 61.00 62.34 1d9i s PRO 124 Cb -0.17 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1d9i s PRO 124 CO 0.06 -2.72 -0.05 0.16 0.04 0.00 0.00 177.00 174.50 1d9i s ASP 125 N -2.77 4.34 0.61 6.66 -4.77 -1.26 -4.94 116.67 114.54 1d9i s ASP 125 Ca 0.66 -0.71 0.27 0.00 -3.30 0.00 0.00 52.55 49.47 1d9i s ASP 125 Cb -0.22 -0.73 1.23 0.00 -1.09 0.00 0.00 42.92 42.10 1d9i s ASP 125 CO 0.59 0.02 1.65 -0.09 0.70 0.00 0.00 175.17 178.03 1d9i h ARG 126 N 2.04 0.00 0.00 2.11 2.43 -1.98 0.13 114.38 119.11 1d9i h ARG 126 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1d9i h ARG 126 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1d9i h ARG 126 CO 0.60 0.00 -1.49 -0.85 -1.51 0.00 0.00 179.97 176.72 1d9i n GLU 127 N -3.41 0.82 0.00 0.20 0.00 -1.26 -2.49 120.64 114.50 1d9i n GLU 127 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.17 1d9i n GLU 127 Cb 0.97 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 31.07 1d9i n GLU 127 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1d9i n THR 128 N -1.89 0.32 0.00 3.84 -1.04 0.47 -2.19 114.28 113.79 1d9i n THR 128 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1d9i n THR 128 Cb 0.37 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1d9i n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d9i n ALA 129 N 0.17 0.00 1.16 2.41 0.00 -1.04 -2.57 120.51 120.64 1d9i n ALA 129 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1d9i n ALA 129 Cb 0.32 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.11 1d9i n ALA 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1d9i n SER 129 N 0.00 2.23 -0.05 0.00 3.41 -0.93 -4.33 113.62 113.94 1d9i n SER 129 Ca 0.00 -1.75 -0.06 0.00 -0.26 0.00 0.00 58.87 56.80 1d9i n SER 129 Cb 0.00 -0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 1d9i n SER 129 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1d9i n LEU 129 N 0.72 0.25 -4.36 1.04 4.77 -1.06 -4.81 117.00 113.55 1d9i n LEU 129 Ca 0.17 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.77 1d9i n LEU 129 Cb 0.46 0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1d9i n LEU 129 CO 0.15 0.30 1.89 0.18 -1.33 0.00 0.00 177.39 178.59 1d9i n LEU 130 N -2.44 4.30 -3.74 2.23 4.77 -1.26 -4.75 117.00 116.12 1d9i n LEU 130 Ca -0.18 -3.51 -0.13 0.00 -0.03 0.00 0.00 56.01 52.15 1d9i n LEU 130 Cb 0.84 -1.65 -0.09 0.00 -2.33 0.00 0.00 43.42 40.18 1d9i n LEU 130 CO 0.22 -0.59 0.06 -1.10 -1.33 0.00 0.00 177.39 174.64 1d9i s GLN 131 N 5.10 0.56 -0.38 3.23 -0.21 -1.26 -4.97 119.66 121.73 1d9i s GLN 131 Ca 0.59 0.24 -0.43 0.00 0.02 0.00 0.00 55.36 55.79 1d9i s GLN 131 Cb 0.05 0.26 -0.18 0.00 1.00 0.00 0.00 33.01 34.14 1d9i s GLN 131 CO 0.09 -0.11 1.67 0.00 -2.12 0.00 0.00 175.29 174.82 1d9i n ALA 132 N 2.18 -0.74 0.00 6.09 0.00 -1.26 0.88 120.51 127.66 1d9i n ALA 132 Ca -0.17 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1d9i n ALA 132 Cb 0.57 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1d9i n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d9i n GLY 133 N 4.09 1.70 3.73 0.00 0.00 0.26 -4.93 105.19 110.04 1d9i n GLY 133 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1d9i n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d9i s TYR 134 N -2.36 3.45 0.04 1.61 1.51 0.25 -4.71 117.35 117.14 1d9i s TYR 134 Ca 0.00 1.42 -0.18 0.00 -1.01 0.00 0.00 57.07 57.30 1d9i s TYR 134 Cb 0.00 -3.41 -0.06 0.00 -0.11 0.00 0.00 41.96 38.38 1d9i s TYR 134 CO 0.00 -1.16 0.52 0.15 -1.11 0.00 0.00 175.55 173.95 1d9i s LYS 135 N -0.04 4.13 0.49 -0.62 1.02 -1.26 -2.10 119.74 121.36 1d9i s LYS 135 Ca 0.53 0.63 0.02 0.00 0.02 0.00 0.00 55.97 57.17 1d9i s LYS 135 Cb -0.32 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.72 1d9i s LYS 135 CO 0.35 0.61 0.01 0.20 -0.92 0.00 0.00 175.35 175.60 1d9i s GLY 136 N -0.95 2.93 -0.02 -3.33 0.00 -0.50 -4.82 107.32 100.64 1d9i s GLY 136 Ca 0.27 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1d9i s GLY 136 CO 0.17 -2.17 -0.09 -1.60 0.00 0.00 0.00 173.10 169.41 1d9i s ARG 137 N -3.85 0.86 0.14 2.90 3.52 0.82 -1.37 118.95 121.97 1d9i s ARG 137 Ca 0.11 -0.29 0.08 0.00 -0.13 0.00 0.00 55.73 55.49 1d9i s ARG 137 Cb 0.03 -0.82 -0.04 0.00 -1.56 0.00 0.00 34.95 32.56 1d9i s ARG 137 CO 0.06 0.13 -0.08 0.08 -0.81 0.00 0.00 175.30 174.67 1d9i s VAL 138 N 0.09 3.37 0.00 7.11 1.01 0.35 -1.34 120.40 131.00 1d9i s VAL 138 Ca -0.01 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.52 1d9i s VAL 138 Cb -0.07 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 1d9i s VAL 138 CO 0.00 0.01 0.05 0.42 0.00 0.00 0.00 175.10 175.58 1d9i s THR 139 N -1.45 0.07 -0.21 3.92 -4.23 -1.25 -0.70 115.64 111.80 1d9i s THR 139 Ca 0.23 -0.60 -0.36 0.00 -1.18 0.00 0.00 61.69 59.78 1d9i s THR 139 Cb -0.10 -0.28 0.14 0.00 1.34 0.00 0.00 72.50 73.60 1d9i s THR 139 CO 0.15 -0.33 1.28 -0.83 -0.54 0.00 0.00 174.62 174.35 1d9i s GLY 140 N -1.05 -0.28 0.00 3.99 0.00 -1.21 -4.60 107.32 104.17 1d9i s GLY 140 Ca -0.11 1.61 0.21 0.00 0.00 0.00 0.00 44.72 46.43 1d9i s GLY 140 CO 0.00 0.52 1.11 0.79 0.00 0.00 0.00 173.10 175.53 1d9i n TRP 141 N -0.11 0.00 -0.90 1.90 8.01 -1.26 -2.31 117.44 122.77 1d9i n TRP 141 Ca 0.01 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.90 1d9i n TRP 141 Cb 0.58 0.00 0.26 0.00 -2.01 0.00 0.00 31.31 30.14 1d9i n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1d9i n GLY 142 N 1.28 -2.98 3.54 6.99 0.00 -1.26 -4.48 105.19 108.28 1d9i n GLY 142 Ca 0.11 -1.46 -0.49 0.00 0.00 0.00 0.00 46.02 44.18 1d9i n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d9i n ASN 143 N -5.01 0.71 -0.29 1.61 4.13 0.19 -2.66 115.26 113.94 1d9i n ASN 143 Ca 0.15 1.15 0.11 0.00 1.68 0.00 0.00 54.58 57.67 1d9i n ASN 143 Cb 0.58 -1.14 0.09 0.00 -1.54 0.00 0.00 39.78 37.77 1d9i n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1d9i n LEU 144 N 1.84 1.43 -3.52 3.41 4.77 -1.08 -1.27 117.00 122.59 1d9i n LEU 144 Ca 0.15 -0.51 -0.15 0.00 -0.03 0.00 0.00 56.01 55.47 1d9i n LEU 144 Cb 0.24 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1d9i n LEU 144 CO 0.60 0.28 0.53 -0.54 -1.33 0.00 0.00 177.39 176.94 1d9i s LYS 145 N -2.64 0.96 0.05 3.23 1.02 -1.26 -4.51 119.74 116.58 1d9i s LYS 145 Ca 0.17 0.10 -0.22 0.00 0.02 0.00 0.00 55.97 56.03 1d9i s LYS 145 Cb 0.18 0.45 -0.14 0.00 -0.52 0.00 0.00 37.83 37.80 1d9i s LYS 145 CO 0.63 -0.33 1.50 1.49 -0.92 0.00 0.00 175.35 177.73 1d9i h GLU 146 N 2.69 0.16 -1.68 1.68 4.81 -1.92 -3.42 114.58 116.91 1d9i h GLU 146 Ca -0.25 -0.05 -0.43 0.00 -0.13 0.00 0.00 59.36 58.50 1d9i h GLU 146 Cb 1.17 -0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.24 1d9i h GLU 146 CO 0.36 0.39 -0.83 2.41 -0.73 0.00 0.00 179.01 180.62 1d9i n THR 147 N -4.84 -0.68 0.00 0.32 -1.04 -1.26 -5.08 114.28 101.70 1d9i n THR 147 Ca -0.06 -2.72 0.00 0.00 -2.04 0.00 0.00 64.05 59.23 1d9i n THR 147 Cb 0.18 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.00 1d9i n THR 147 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1d9i n GLY 150 N 2.44 4.00 3.31 3.41 0.00 -1.26 -5.21 105.19 111.87 1d9i n GLY 150 Ca 0.23 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 1d9i n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1d9i s GLN 151 N -5.19 0.47 0.62 1.61 -0.21 -1.26 -2.62 119.66 113.09 1d9i s GLN 151 Ca 0.00 0.67 -0.08 0.00 0.02 0.00 0.00 55.36 55.98 1d9i s GLN 151 Cb 0.00 0.15 0.01 0.00 1.00 0.00 0.00 33.01 34.17 1d9i s GLN 151 CO 0.00 -0.09 0.96 -1.25 -2.12 0.00 0.00 175.29 172.79 1d9i s PRO 152 N 0.64 2.93 -0.02 2.91 0.05 -1.26 -4.99 135.00 135.26 1d9i s PRO 152 Ca -0.03 0.16 0.21 0.00 0.05 0.00 0.00 61.00 61.38 1d9i s PRO 152 Cb -0.05 -2.19 -0.28 0.00 0.05 0.00 0.00 34.50 32.03 1d9i s PRO 152 CO -0.04 -0.79 0.50 -1.13 0.05 0.00 0.00 177.00 175.59 1d9i n SER 153 N -2.71 0.15 -3.98 6.66 3.41 -1.26 -4.79 113.62 111.10 1d9i n SER 153 Ca 0.05 0.06 -0.13 0.00 -0.26 0.00 0.00 58.87 58.60 1d9i n SER 153 Cb 0.57 1.56 -0.13 0.00 -0.26 0.00 0.00 64.21 65.96 1d9i n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1d9i s VAL 154 N -3.31 0.30 0.34 -3.33 1.01 -1.26 -0.72 120.40 113.43 1d9i s VAL 154 Ca -0.07 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 1d9i s VAL 154 Cb 0.12 -0.34 -0.14 0.00 0.00 0.00 0.00 36.38 36.01 1d9i s VAL 154 CO 0.88 -0.21 0.61 -0.11 0.00 0.00 0.00 175.10 176.27 1d9i n LEU 155 N 2.19 -0.10 -4.74 3.92 7.94 -0.14 -4.76 117.00 121.31 1d9i n LEU 155 Ca -0.18 1.01 -0.26 0.00 -1.11 0.00 0.00 56.01 55.46 1d9i n LEU 155 Cb 0.57 -1.10 -0.07 0.00 0.53 0.00 0.00 43.42 43.34 1d9i n LEU 155 CO 0.23 -2.68 -0.17 -1.10 -1.11 0.00 0.00 177.39 172.57 1d9i s GLN 156 N -1.40 2.19 0.03 1.96 -1.52 -0.98 -0.88 119.66 119.06 1d9i s GLN 156 Ca 0.62 -1.95 -0.07 0.00 -1.95 0.00 0.00 55.36 52.01 1d9i s GLN 156 Cb -0.70 -1.90 -0.01 0.00 -0.22 0.00 0.00 33.01 30.19 1d9i s GLN 156 CO 0.58 -0.18 0.12 0.54 -0.25 0.00 0.00 175.29 176.11 1d9i s VAL 157 N -2.66 0.12 -0.21 1.09 0.11 0.26 -3.35 120.40 115.77 1d9i s VAL 157 Ca 0.36 -0.99 -0.15 0.00 -2.93 0.00 0.00 61.98 58.27 1d9i s VAL 157 Cb 0.04 -0.82 0.06 0.00 -1.53 0.00 0.00 36.38 34.13 1d9i s VAL 157 CO 0.20 -0.54 0.53 0.54 -3.33 0.00 0.00 175.10 172.49 1d9i s VAL 158 N -2.41 -0.01 -0.24 2.04 0.11 0.12 -1.08 120.40 118.94 1d9i s VAL 158 Ca -0.07 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1d9i s VAL 158 Cb -0.02 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1d9i s VAL 158 CO -0.03 0.01 0.13 0.20 -3.33 0.00 0.00 175.10 172.07 1d9i s ASN 159 N 0.85 5.75 0.03 3.54 0.01 -1.26 0.13 114.94 123.99 1d9i s ASN 159 Ca -0.05 -0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.14 1d9i s ASN 159 Cb -0.05 -2.04 -0.02 0.00 0.41 0.00 0.00 41.25 39.55 1d9i s ASN 159 CO -0.07 0.03 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.67 1d9i s LEU 160 N 1.24 2.14 0.32 0.60 1.43 -0.47 -4.95 118.68 118.99 1d9i s LEU 160 Ca 0.06 -0.40 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 1d9i s LEU 160 Cb -0.14 -0.56 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 1d9i s LEU 160 CO 0.05 0.04 0.84 -2.16 0.23 0.00 0.00 176.35 175.36 1d9i s PRO 161 N -0.95 4.30 0.04 1.29 0.04 -1.26 -1.40 135.00 137.06 1d9i s PRO 161 Ca 0.01 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.80 1d9i s PRO 161 Cb -0.07 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 1d9i s PRO 161 CO 0.01 0.22 0.92 0.42 0.04 0.00 0.00 177.00 178.61 1d9i s ILE 162 N -1.78 4.75 0.05 0.56 -1.09 -0.89 -2.94 121.20 119.86 1d9i s ILE 162 Ca 0.51 1.94 0.01 0.00 -2.23 0.00 0.00 60.65 60.88 1d9i s ILE 162 Cb -0.14 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.43 1d9i s ILE 162 CO 0.19 0.25 0.14 -0.69 -1.23 0.00 0.00 174.94 173.60 1d9i s VAL 163 N 0.51 4.98 0.50 2.92 1.01 -1.05 0.89 120.40 130.16 1d9i s VAL 163 Ca 0.47 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 1d9i s VAL 163 Cb -0.21 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1d9i s VAL 163 CO 0.27 0.18 1.03 -1.61 0.00 0.00 0.00 175.10 174.97 1d9i s GLU 164 N -2.29 3.76 0.23 2.72 8.01 -1.26 -4.54 118.70 125.32 1d9i s GLU 164 Ca 0.30 1.28 -0.18 0.00 0.01 0.00 0.00 54.97 56.39 1d9i s GLU 164 Cb -0.13 -2.09 0.23 0.00 -4.31 0.00 0.00 34.13 27.83 1d9i s GLU 164 CO 0.23 -0.45 1.55 0.00 0.01 0.00 0.00 175.26 176.60 1d9i h ARG 165 N 1.35 -0.01 -0.32 1.61 2.47 -1.98 -1.39 114.38 116.11 1d9i h ARG 165 Ca -0.49 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.30 1d9i h ARG 165 Cb 1.21 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.46 1d9i h ARG 165 CO 0.59 -0.01 -0.17 -1.35 0.56 0.00 0.00 179.97 179.60 1d9i h PRO 166 N -0.01 -0.12 -0.41 0.04 0.11 -1.99 0.22 132.00 129.84 1d9i h PRO 166 Ca 0.34 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1d9i h PRO 166 Cb 0.59 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.71 1d9i h PRO 166 CO -0.97 -0.08 0.21 0.28 -0.21 0.00 0.00 178.00 177.23 1d9i h VAL 167 N -0.12 1.17 -0.53 3.15 2.07 -1.66 -2.57 116.25 117.76 1d9i h VAL 167 Ca 0.17 -0.45 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1d9i h VAL 167 Cb 0.38 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.78 1d9i h VAL 167 CO -0.40 0.18 0.08 0.00 0.02 0.00 0.00 177.57 177.45 1d9i h LYS 169 N 0.21 -0.36 0.00 0.00 1.57 -0.37 -3.24 116.57 114.39 1d9i h LYS 169 Ca 0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1d9i h LYS 169 Cb 0.39 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1d9i h LYS 169 CO -0.38 -0.06 0.00 -0.25 -0.57 0.00 0.00 179.45 178.20 1d9i n ASP 170 N -5.13 0.00 -0.00 0.86 10.43 -0.99 -3.18 116.55 118.55 1d9i n ASP 170 Ca -0.09 -0.64 0.09 0.00 2.57 0.00 0.00 54.79 56.71 1d9i n ASP 170 Cb 0.25 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.09 1d9i n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1d9i n SER 171 N -0.85 0.79 -4.01 -2.24 3.41 -1.14 -5.03 113.62 104.54 1d9i n SER 171 Ca 0.08 -0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 57.98 1d9i n SER 171 Cb 0.04 1.30 -0.06 0.00 -0.26 0.00 0.00 64.21 65.23 1d9i n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1d9i s THR 172 N -2.95 0.00 -0.37 6.66 -1.32 -1.19 -4.92 115.64 111.56 1d9i s THR 172 Ca 0.02 -1.46 0.22 0.00 -1.21 0.00 0.00 61.69 59.26 1d9i s THR 172 Cb 0.13 -2.21 -0.18 0.00 -1.51 0.00 0.00 72.50 68.73 1d9i s THR 172 CO 0.77 -0.01 0.83 0.54 -2.21 0.00 0.00 174.62 174.54 1d9i n ARG 173 N -0.36 0.46 -2.30 7.08 1.74 -1.26 -4.94 116.66 117.08 1d9i n ARG 173 Ca -0.02 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.67 1d9i n ARG 173 Cb 0.62 -1.61 -0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1d9i n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1d9i s ILE 174 N -3.33 3.24 -0.63 0.55 -1.09 -1.26 -4.97 121.20 113.70 1d9i s ILE 174 Ca -0.01 0.80 -0.27 0.00 -2.23 0.00 0.00 60.65 58.94 1d9i s ILE 174 Cb 0.13 -3.34 0.04 0.00 -1.58 0.00 0.00 42.46 37.71 1d9i s ILE 174 CO 0.84 -0.14 1.16 -0.60 -1.23 0.00 0.00 174.94 174.97 1d9i s ARG 175 N -3.17 3.35 -0.08 2.79 3.52 -1.26 -5.01 118.95 119.09 1d9i s ARG 175 Ca 0.70 -0.08 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 1d9i s ARG 175 Cb -0.24 -4.09 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 1d9i s ARG 175 CO 0.27 -1.81 1.48 0.42 -0.81 0.00 0.00 175.30 174.86 1d9i s ILE 176 N 4.97 3.83 0.32 4.11 -1.09 -1.26 -4.94 121.20 127.14 1d9i s ILE 176 Ca 0.37 1.04 0.04 0.00 -2.23 0.00 0.00 60.65 59.87 1d9i s ILE 176 Cb -0.09 -3.67 0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1d9i s ILE 176 CO 0.20 -0.08 0.33 0.35 -1.23 0.00 0.00 174.94 174.51 1d9i n THR 177 N 5.30 0.00 0.76 2.92 -2.24 -1.26 -5.04 114.28 114.73 1d9i n THR 177 Ca 0.15 -1.20 0.12 0.00 -2.27 0.00 0.00 64.05 60.86 1d9i n THR 177 Cb 0.44 -0.43 0.26 0.00 -2.10 0.00 0.00 70.33 68.49 1d9i n THR 177 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1d9i n ASP 178 N -2.20 0.56 -0.96 3.42 8.00 -1.26 -3.09 116.55 121.03 1d9i n ASP 178 Ca 0.03 0.06 -0.01 0.00 0.71 0.00 0.00 54.79 55.58 1d9i n ASP 178 Cb 0.35 0.06 0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1d9i n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1d9i n ASN 179 N -1.85 2.50 -4.02 -2.24 3.02 -1.26 -4.75 115.26 106.66 1d9i n ASN 179 Ca 0.05 -2.16 -0.08 0.00 -0.03 0.00 0.00 54.58 52.36 1d9i n ASN 179 Cb 0.39 -0.53 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 1d9i n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1d9i s MET 180 N -0.70 0.47 0.07 3.52 -1.94 -1.18 -2.02 119.30 117.53 1d9i s MET 180 Ca 0.07 -0.89 -0.18 0.00 -1.71 0.00 0.00 55.69 52.98 1d9i s MET 180 Cb 0.05 0.17 0.04 0.00 2.01 0.00 0.00 34.83 37.10 1d9i s MET 180 CO 0.02 -0.09 0.41 -0.59 -0.01 0.00 0.00 175.02 174.76 1d9i s PHE 181 N -2.66 -0.25 0.24 -0.03 -0.12 -1.01 -4.80 117.98 109.35 1d9i s PHE 181 Ca -0.05 0.12 0.12 0.00 -0.05 0.00 0.00 56.93 57.07 1d9i s PHE 181 Cb -0.01 0.23 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1d9i s PHE 181 CO -0.05 -0.62 -0.22 0.00 -0.05 0.00 0.00 175.22 174.28 1d9i s ALA 183 N -2.12 -0.95 0.00 0.00 0.00 0.37 -2.54 121.76 116.51 1d9i s ALA 183 Ca 0.26 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1d9i s ALA 183 Cb -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1d9i s ALA 183 CO 0.13 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1d9i n GLY 184 N 3.58 1.67 3.93 0.00 0.00 -1.15 0.19 105.19 113.42 1d9i n GLY 184 Ca -0.19 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.50 1d9i n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1d9i s TYR 184 N -2.00 3.11 0.63 1.61 1.51 -1.26 -4.49 117.35 116.46 1d9i s TYR 184 Ca 0.00 0.44 -0.10 0.00 -1.01 0.00 0.00 57.07 56.40 1d9i s TYR 184 Cb 0.00 -2.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.04 1d9i s TYR 184 CO 0.00 -0.90 1.01 0.15 -1.11 0.00 0.00 175.55 174.70 1d9i s LYS 185 N -4.95 3.31 0.52 -0.62 -0.14 -1.26 -4.81 119.74 111.79 1d9i s LYS 185 Ca 0.55 0.54 0.29 0.00 -1.36 0.00 0.00 55.97 56.00 1d9i s LYS 185 Cb -0.10 -2.11 1.59 0.00 -1.68 0.00 0.00 37.83 35.53 1d9i s LYS 185 CO 0.43 -0.68 1.88 -1.35 -0.76 0.00 0.00 175.35 174.86 1d9i h PRO 186 N -0.35 0.00 -0.44 -1.68 0.11 -1.93 -2.32 132.00 125.38 1d9i h PRO 186 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1d9i h PRO 186 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1d9i h PRO 186 CO 0.62 0.00 0.03 -0.40 -0.21 0.00 0.00 178.00 178.04 1d9i n ASP 186 N -2.63 4.66 -0.31 -2.05 5.75 -1.26 -4.55 116.55 116.16 1d9i n ASP 186 Ca -0.02 -3.04 0.06 0.00 -0.01 0.00 0.00 54.79 51.77 1d9i n ASP 186 Cb 0.19 -0.63 0.01 0.00 -1.03 0.00 0.00 41.12 39.66 1d9i n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1d9i n GLU 186 N -0.06 1.64 -2.32 0.11 1.02 -0.87 -4.99 120.64 115.16 1d9i n GLU 186 Ca 0.27 -0.79 -0.07 0.00 -0.02 0.00 0.00 57.16 56.55 1d9i n GLU 186 Cb 1.08 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 31.36 1d9i n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1d9i n GLY 186 N 0.86 0.23 3.27 0.62 0.00 -1.26 -5.04 105.19 103.87 1d9i n GLY 186 Ca 0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1d9i n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d9i s LYS 186 N -4.62 0.45 0.52 1.61 1.02 -1.26 -5.17 119.74 112.28 1d9i s LYS 186 Ca 0.05 0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.58 1d9i s LYS 186 Cb -0.02 0.22 -0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1d9i s LYS 186 CO 0.06 -0.05 0.03 1.03 -0.92 0.00 0.00 175.35 175.49 1d9i s ARG 187 N 0.20 2.22 0.00 1.68 0.52 -1.26 -4.67 118.95 117.63 1d9i s ARG 187 Ca -0.00 -2.41 0.00 0.00 -0.52 0.00 0.00 55.73 52.80 1d9i s ARG 187 Cb -0.03 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.89 1d9i s ARG 187 CO 0.01 -0.41 0.00 0.41 0.02 0.00 0.00 175.30 175.33 1d9i n GLY 188 N -1.32 4.57 3.61 -3.53 0.00 -1.26 -4.95 105.19 102.32 1d9i n GLY 188 Ca -0.19 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 1d9i n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d9i s ASP 189 N 0.00 -0.20 0.94 1.61 3.68 -1.15 -4.66 116.67 116.87 1d9i s ASP 189 Ca 0.00 -0.13 -0.13 0.00 2.13 0.00 0.00 52.55 54.42 1d9i s ASP 189 Cb 0.00 0.31 0.21 0.00 -1.45 0.00 0.00 42.92 41.99 1d9i s ASP 189 CO 0.00 -0.54 1.28 0.00 0.13 0.00 0.00 175.17 176.04 1d9i s ALA 190 N -2.87 2.50 0.00 3.66 0.00 -1.26 -1.40 121.76 122.39 1d9i s ALA 190 Ca 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.63 1d9i s ALA 190 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 1d9i s ALA 190 CO -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 175.76 173.36 1d9i n GLU 192 N 0.00 1.47 0.00 0.00 -0.58 -1.26 -1.67 120.64 118.60 1d9i n GLU 192 Ca 0.00 0.53 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1d9i n GLU 192 Cb 0.00 -2.29 0.00 0.00 -0.57 0.00 0.00 31.44 28.58 1d9i n GLU 192 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d9i n GLY 193 N 4.41 2.09 0.02 0.62 0.00 -1.26 0.55 105.19 111.62 1d9i n GLY 193 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1d9i n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d9i n ASP 194 N 0.00 0.26 -4.28 1.61 10.43 -0.67 -3.77 116.55 120.13 1d9i n ASP 194 Ca 0.00 0.37 -0.37 0.00 2.57 0.00 0.00 54.79 57.36 1d9i n ASP 194 Cb 0.00 -0.39 0.05 0.00 1.84 0.00 0.00 41.12 42.62 1d9i n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1d9i n SER 195 N -1.66 -3.18 0.00 -2.24 7.64 -1.26 -2.22 113.62 110.70 1d9i n SER 195 Ca 0.06 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1d9i n SER 195 Cb 0.36 -0.99 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1d9i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1d9i n GLY 196 N 2.36 1.62 3.47 0.23 0.00 -0.93 0.12 105.19 112.05 1d9i n GLY 196 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1d9i n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d9i n GLY 197 N -0.14 -1.62 3.86 -0.02 0.00 -0.94 -4.03 105.19 102.30 1d9i n GLY 197 Ca 0.00 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 1d9i n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d9i s PRO 198 N -3.96 3.91 -0.25 1.61 0.04 -1.26 -2.05 135.00 133.04 1d9i s PRO 198 Ca 0.61 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1d9i s PRO 198 Cb -0.21 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1d9i s PRO 198 CO 0.64 0.22 -0.01 0.12 0.04 0.00 0.00 177.00 178.01 1d9i s PHE 199 N -1.93 3.05 0.26 0.56 5.36 -0.06 -3.85 117.98 121.37 1d9i s PHE 199 Ca 0.51 -1.10 0.12 0.00 -0.96 0.00 0.00 56.93 55.49 1d9i s PHE 199 Cb -0.11 -2.14 -0.05 0.00 -0.34 0.00 0.00 43.02 40.39 1d9i s PHE 199 CO 0.19 -0.60 -0.20 0.14 -1.46 0.00 0.00 175.22 173.30 1d9i s VAL 200 N 1.45 2.39 0.04 3.12 -7.23 -0.45 -0.23 120.40 119.50 1d9i s VAL 200 Ca 0.03 -2.35 0.01 0.00 -1.81 0.00 0.00 61.98 57.86 1d9i s VAL 200 Cb -0.16 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1d9i s VAL 200 CO -0.02 -0.39 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.29 1d9i s MET 201 N -3.44 0.51 -0.28 4.82 -1.94 -0.31 -0.12 119.30 118.53 1d9i s MET 201 Ca 0.28 -0.86 -0.04 0.00 -1.71 0.00 0.00 55.69 53.36 1d9i s MET 201 Cb -0.05 -0.07 0.02 0.00 2.01 0.00 0.00 34.83 36.74 1d9i s MET 201 CO 0.14 -0.02 0.02 0.21 -0.01 0.00 0.00 175.02 175.36 1d9i s LYS 202 N -2.20 2.94 0.05 2.03 2.20 -1.26 -0.34 119.74 123.16 1d9i s LYS 202 Ca -0.06 -0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 54.30 1d9i s LYS 202 Cb -0.05 -3.20 -0.08 0.00 -1.51 0.00 0.00 37.83 32.99 1d9i s LYS 202 CO -0.02 -0.44 1.62 0.45 -0.36 0.00 0.00 175.35 176.60 1d9i s SER 203 N 1.41 6.64 0.00 1.43 0.15 -0.43 -4.83 113.70 118.06 1d9i s SER 203 Ca 0.01 2.42 0.10 0.00 0.70 0.00 0.00 55.95 59.18 1d9i s SER 203 Cb -0.17 -2.56 0.49 0.00 -1.71 0.00 0.00 66.02 62.07 1d9i s SER 203 CO -0.01 -0.87 1.23 -0.81 1.20 0.00 0.00 173.24 173.99 1d9i n PRO 204 N 5.66 0.12 -0.06 5.44 -0.04 -1.26 -0.02 135.00 144.83 1d9i n PRO 204 Ca 0.16 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1d9i n PRO 204 Cb 0.41 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1d9i n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1d9i h PHE 204 N 0.00 0.00 0.00 0.54 0.04 -1.97 -3.40 116.94 112.15 1d9i h PHE 204 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d9i h PHE 204 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1d9i h PHE 204 CO 0.00 0.45 -0.02 0.27 -0.60 0.00 0.00 178.31 178.41 1d9i n ASN 204 N -4.69 1.65 -3.81 2.17 2.04 -1.22 -5.03 115.26 106.37 1d9i n ASN 204 Ca -0.05 -2.04 -0.18 0.00 -0.44 0.00 0.00 54.58 51.87 1d9i n ASN 204 Cb 0.23 -0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 1d9i n ASN 204 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1d9i n ASN 205 N -0.57 -1.38 -4.58 0.53 2.04 0.97 -4.97 115.26 107.30 1d9i n ASN 205 Ca 0.03 -0.50 -0.26 0.00 -0.44 0.00 0.00 54.58 53.41 1d9i n ASN 205 Cb 0.38 -0.60 -0.09 0.00 -2.53 0.00 0.00 39.78 36.94 1d9i n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.44 0.00 0.00 177.26 176.69 1d9i s ARG 206 N -5.84 2.10 -0.19 -3.83 0.52 -1.25 -4.87 118.95 105.59 1d9i s ARG 206 Ca 0.17 -1.30 -0.13 0.00 -0.52 0.00 0.00 55.73 53.96 1d9i s ARG 206 Cb -0.10 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.17 1d9i s ARG 206 CO 0.37 0.42 0.25 -1.58 0.02 0.00 0.00 175.30 174.78 1d9i s TRP 207 N -1.82 3.42 -0.09 -0.53 0.52 -0.85 -1.32 118.94 118.27 1d9i s TRP 207 Ca 0.26 0.48 0.00 0.00 0.02 0.00 0.00 56.10 56.86 1d9i s TRP 207 Cb -0.08 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 29.90 1d9i s TRP 207 CO 0.16 0.19 -0.09 0.71 0.02 0.00 0.00 176.95 177.94 1d9i s TYR 208 N 0.63 2.88 -0.55 -1.98 2.02 0.53 -1.60 117.35 119.28 1d9i s TYR 208 Ca 0.13 -0.22 -0.22 0.00 -0.37 0.00 0.00 57.07 56.40 1d9i s TYR 208 Cb -0.13 -1.77 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1d9i s TYR 208 CO 0.03 0.11 0.82 -1.14 -1.57 0.00 0.00 175.55 173.80 1d9i s GLN 209 N -0.31 3.21 -0.06 -0.62 0.74 0.12 -1.17 119.66 121.57 1d9i s GLN 209 Ca 0.04 -0.64 0.13 0.00 0.05 0.00 0.00 55.36 54.94 1d9i s GLN 209 Cb -0.13 -4.11 -0.23 0.00 1.10 0.00 0.00 33.01 29.65 1d9i s GLN 209 CO 0.02 -1.44 0.61 -0.12 -0.55 0.00 0.00 175.29 173.81 1d9i n MET 210 N 6.96 0.64 -4.17 1.67 1.56 0.68 -4.53 117.12 119.93 1d9i n MET 210 Ca -0.03 0.26 -0.11 0.00 -0.27 0.00 0.00 57.70 57.55 1d9i n MET 210 Cb 0.46 -1.77 -0.09 0.00 2.15 0.00 0.00 33.22 33.97 1d9i n MET 210 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1d9i s GLY 211 N -5.13 1.29 -0.09 -5.12 0.00 -0.83 -1.68 107.32 95.76 1d9i s GLY 211 Ca -0.05 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.10 1d9i s GLY 211 CO 0.83 -1.31 -0.13 -0.42 0.00 0.00 0.00 173.10 172.06 1d9i s ILE 212 N -4.13 1.31 -0.30 0.90 1.01 -0.94 -0.88 121.20 118.17 1d9i s ILE 212 Ca 0.36 -0.54 -0.33 0.00 0.00 0.00 0.00 60.65 60.14 1d9i s ILE 212 Cb 0.06 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.23 1d9i s ILE 212 CO 0.11 0.40 2.21 0.52 0.00 0.00 0.00 174.94 178.17 1d9i n VAL 213 N 4.12 0.24 0.00 2.92 0.31 -0.87 -0.10 118.33 124.96 1d9i n VAL 213 Ca -0.20 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1d9i n VAL 213 Cb 0.51 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1d9i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1d9i n SER 214 N 10.58 0.00 -3.78 4.52 2.88 -0.74 -2.19 113.62 124.89 1d9i n SER 214 Ca 0.37 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.81 1d9i n SER 214 Cb 0.31 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.33 1d9i n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1d9i s TRP 215 N -0.80 -0.02 0.26 0.66 1.48 -0.77 -4.95 118.94 114.80 1d9i s TRP 215 Ca 0.00 -0.23 -0.19 0.00 -1.06 0.00 0.00 56.10 54.62 1d9i s TRP 215 Cb 0.00 0.06 0.02 0.00 -1.16 0.00 0.00 33.47 32.38 1d9i s TRP 215 CO 0.00 -0.53 0.64 0.20 -4.06 0.00 0.00 176.95 173.20 1d9i s GLY 216 N -2.39 0.03 -0.75 3.67 0.00 -1.26 -1.33 107.32 105.30 1d9i s GLY 216 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 1d9i s GLY 216 CO -0.07 -0.22 0.58 -0.54 0.00 0.00 0.00 173.10 172.85 1d9i s GLU 217 N -3.93 2.81 0.51 2.90 2.02 -1.26 -4.98 118.70 116.77 1d9i s GLU 217 Ca 0.13 -3.00 0.00 0.00 0.02 0.00 0.00 54.97 52.12 1d9i s GLU 217 Cb -0.04 -3.75 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1d9i s GLU 217 CO 0.06 -1.23 0.00 0.41 0.02 0.00 0.00 175.26 174.52 1d9i n GLY 219 N 2.70 0.33 2.98 -1.39 0.00 -1.26 -4.71 105.19 103.84 1d9i n GLY 219 Ca 0.15 -1.64 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 1d9i n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d9i n ASP 221 N 5.37 -2.38 -4.59 0.00 2.03 -1.26 -4.77 116.55 110.95 1d9i n ASP 221 Ca 0.00 -0.43 -0.38 0.00 0.52 0.00 0.00 54.79 54.50 1d9i n ASP 221 Cb 0.50 -3.78 -0.11 0.00 -0.72 0.00 0.00 41.12 37.02 1d9i n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1d9i s ARG 221 N -5.08 3.91 0.11 -0.67 0.52 -1.26 -4.98 118.95 111.51 1d9i s ARG 221 Ca 0.05 -0.33 -0.35 0.00 -0.52 0.00 0.00 55.73 54.58 1d9i s ARG 221 Cb -0.02 -3.67 -0.17 0.00 0.52 0.00 0.00 34.95 31.61 1d9i s ARG 221 CO 0.52 -0.21 1.17 -0.25 0.02 0.00 0.00 175.30 176.54 1d9i n ASP 222 N 5.08 1.03 -0.75 0.23 10.43 -1.26 0.09 116.55 131.40 1d9i n ASP 222 Ca -0.14 1.14 -0.10 0.00 2.57 0.00 0.00 54.79 58.26 1d9i n ASP 222 Cb 0.52 -1.13 -0.04 0.00 1.84 0.00 0.00 41.12 42.30 1d9i n ASP 222 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d9i n GLY 223 N 2.09 1.12 3.07 0.44 0.00 -1.26 -4.98 105.19 105.66 1d9i n GLY 223 Ca 0.17 -0.43 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1d9i n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d9i s LYS 224 N -2.71 1.23 0.33 1.61 1.02 0.11 -4.87 119.74 116.47 1d9i s LYS 224 Ca 0.00 -0.44 0.10 0.00 0.02 0.00 0.00 55.97 55.64 1d9i s LYS 224 Cb 0.00 -1.13 -0.06 0.00 -0.52 0.00 0.00 37.83 36.12 1d9i s LYS 224 CO 0.00 0.20 -0.08 0.71 -0.92 0.00 0.00 175.35 175.26 1d9i s TYR 225 N -0.01 2.42 -0.01 3.18 1.51 -1.26 -4.51 117.35 118.68 1d9i s TYR 225 Ca -0.01 -0.46 -0.18 0.00 -1.01 0.00 0.00 57.07 55.41 1d9i s TYR 225 Cb -0.08 -1.35 -0.06 0.00 -0.11 0.00 0.00 41.96 40.36 1d9i s TYR 225 CO 0.01 0.58 0.50 0.20 -1.11 0.00 0.00 175.55 175.73 1d9i s GLY 226 N -3.62 2.54 -0.11 0.71 0.00 0.13 -4.61 107.32 102.35 1d9i s GLY 226 Ca 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.93 1d9i s GLY 226 CO 0.17 0.50 -0.03 -1.36 0.00 0.00 0.00 173.10 172.38 1d9i s PHE 227 N -0.50 3.05 0.02 1.90 0.40 -0.44 0.14 117.98 122.55 1d9i s PHE 227 Ca 0.27 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.59 1d9i s PHE 227 Cb -0.17 -1.85 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1d9i s PHE 227 CO 0.15 0.22 -0.14 0.71 0.70 0.00 0.00 175.22 176.86 1d9i s TYR 228 N -0.30 1.19 0.24 0.36 1.51 -0.82 -1.79 117.35 117.74 1d9i s TYR 228 Ca 0.05 -0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1d9i s TYR 228 Cb -0.12 -0.72 -0.09 0.00 -0.11 0.00 0.00 41.96 40.91 1d9i s TYR 228 CO 0.02 0.02 1.26 0.99 -1.11 0.00 0.00 175.55 176.73 1d9i s THR 229 N -0.68 3.19 -0.94 -0.71 2.01 0.86 -2.40 115.64 116.96 1d9i s THR 229 Ca 0.02 1.06 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 1d9i s THR 229 Cb -0.07 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.83 1d9i s THR 229 CO 0.01 0.20 1.33 -2.28 -0.69 0.00 0.00 174.62 173.18 1d9i s HIS 230 N -0.42 2.65 0.27 4.92 2.46 -0.86 -2.21 115.29 122.11 1d9i s HIS 230 Ca 0.52 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 55.20 1d9i s HIS 230 Cb -0.36 -4.57 0.53 0.00 -0.13 0.00 0.00 32.58 28.05 1d9i s HIS 230 CO 0.42 -1.83 1.82 0.28 -2.47 0.00 0.00 174.74 172.95 1d9i h VAL 231 N 6.44 0.89 -0.22 0.89 2.07 -1.63 -2.33 116.25 122.35 1d9i h VAL 231 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1d9i h VAL 231 Cb 1.02 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1d9i h VAL 231 CO 1.32 0.17 0.12 0.15 0.02 0.00 0.00 177.57 179.34 1d9i h PHE 232 N 0.91 0.31 -0.84 1.57 3.57 -1.87 -1.51 116.94 119.08 1d9i h PHE 232 Ca 0.48 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.14 1d9i h PHE 232 Cb 0.50 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1d9i h PHE 232 CO -0.02 0.28 0.55 0.00 -2.23 0.00 0.00 178.31 176.89 1d9i h ARG 233 N 0.24 0.45 -0.66 1.11 3.08 -1.78 -1.53 114.38 115.28 1d9i h ARG 233 Ca 0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1d9i h ARG 233 Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1d9i h ARG 233 CO -0.01 0.30 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1d9i n LEU 234 N -4.51 4.25 0.10 3.04 4.77 -0.62 -4.53 117.00 119.50 1d9i n LEU 234 Ca 0.17 -2.22 0.10 0.00 -0.03 0.00 0.00 56.01 54.03 1d9i n LEU 234 Cb 0.59 -0.51 0.58 0.00 -2.33 0.00 0.00 43.42 41.74 1d9i n LEU 234 CO 0.31 0.89 1.13 0.50 -1.33 0.00 0.00 177.39 178.89 1d9i h LYS 235 N 3.99 0.19 0.02 3.23 3.11 -0.66 -1.96 116.57 124.49 1d9i h LYS 235 Ca 0.00 -0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.83 1d9i h LYS 235 Cb 1.19 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 1d9i h LYS 235 CO 0.11 0.13 -0.01 0.87 -2.81 0.00 0.00 179.45 177.74 1d9i h LYS 236 N 0.20 -0.02 -0.55 1.90 1.79 -1.80 0.50 116.57 118.59 1d9i h LYS 236 Ca 0.12 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.69 1d9i h LYS 236 Cb 0.24 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.82 1d9i h LYS 236 CO -0.02 0.38 0.14 2.35 -1.08 0.00 0.00 179.45 181.23 1d9i h TRP 237 N -0.43 0.24 -0.75 -1.35 7.01 -1.70 0.63 115.95 119.60 1d9i h TRP 237 Ca -0.00 0.03 0.08 0.00 2.11 0.00 0.00 58.89 61.11 1d9i h TRP 237 Cb 0.42 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.40 1d9i h TRP 237 CO 0.07 0.02 0.49 0.82 -2.79 0.00 0.00 178.44 177.05 1d9i h ILE 238 N 0.29 0.99 0.35 2.65 2.04 -1.24 0.92 117.51 123.51 1d9i h ILE 238 Ca 0.28 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1d9i h ILE 238 Cb 0.38 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1d9i h ILE 238 CO -0.34 0.13 -0.17 -0.61 0.00 0.00 0.00 178.15 177.17 1d9i h GLN 239 N 0.73 -0.46 -0.90 2.37 4.15 0.23 -2.60 115.11 118.64 1d9i h GLN 239 Ca 0.33 0.03 0.17 0.00 0.77 0.00 0.00 58.65 59.95 1d9i h GLN 239 Cb 0.34 0.10 -0.17 0.00 0.21 0.00 0.00 27.48 27.97 1d9i h GLN 239 CO -0.12 -0.14 -0.26 -0.22 -1.93 0.00 0.00 178.83 176.16 1d9i h LYS 240 N -0.81 -0.01 0.00 1.69 3.64 0.87 0.43 116.57 122.39 1d9i h LYS 240 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1d9i h LYS 240 Cb 0.52 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1d9i h LYS 240 CO 0.08 -0.01 -0.04 -0.24 -2.27 0.00 0.00 179.45 176.97 1d9i h VAL 241 N -0.01 0.07 0.02 2.00 3.04 -0.89 -3.24 116.25 117.24 1d9i h VAL 241 Ca 0.41 -0.91 -0.21 0.00 -1.01 0.00 0.00 66.70 64.97 1d9i h VAL 241 Cb 0.64 1.85 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 1d9i h VAL 241 CO -0.92 0.04 -0.96 0.40 -1.01 0.00 0.00 177.57 175.12 1d9i h ILE 242 N 0.00 1.56 -0.59 3.17 2.04 0.26 -3.29 117.51 120.66 1d9i h ILE 242 Ca -0.00 -2.90 -0.28 0.00 1.00 0.00 0.00 64.86 62.68 1d9i h ILE 242 Cb 0.85 2.64 -0.17 0.00 -0.74 0.00 0.00 36.82 39.40 1d9i h ILE 242 CO 0.01 0.84 0.20 -0.90 0.00 0.00 0.00 178.15 178.29 1d9i n ASP 243 N -3.56 3.22 -0.06 1.72 5.68 -0.89 -1.02 116.55 121.64 1d9i n ASP 243 Ca -0.03 -3.61 -0.09 0.00 -0.50 0.00 0.00 54.79 50.56 1d9i n ASP 243 Cb 0.87 -0.71 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 1d9i n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1d9i n GLN 244 N -0.99 0.29 -0.30 0.11 7.27 -1.22 -4.82 117.38 117.72 1d9i n GLN 244 Ca 0.42 0.07 0.02 0.00 0.07 0.00 0.00 57.00 57.58 1d9i n GLN 244 Cb 1.27 -1.20 0.03 0.00 2.41 0.00 0.00 30.24 32.74 1d9i n GLN 244 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1d9i n PHE 245 N -2.92 0.00 0.17 3.69 1.16 -1.24 -5.15 117.46 113.17 1d9i n PHE 245 Ca -0.21 -0.22 0.02 0.00 -1.87 0.00 0.00 57.45 55.17 1d9i n PHE 245 Cb 0.71 -0.06 0.02 0.00 -1.61 0.00 0.00 39.48 38.54 1d9i n PHE 245 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30