#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu9 h GLU 1 N 0.00 -0.12 -0.22 1.61 4.57 -1.99 -2.23 114.58 116.20 1nu9 h GLU 1 Ca 0.00 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1nu9 h GLU 1 Cb 0.00 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1nu9 h GLU 1 CO 0.00 0.13 -0.06 0.00 -1.18 0.00 0.00 179.01 177.91 1nu9 h ALA 1 N 0.50 1.50 -0.30 2.92 0.00 -2.02 -2.60 119.26 119.26 1nu9 h ALA 1 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nu9 h ALA 1 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nu9 h ALA 1 CO 0.02 0.36 0.00 -3.47 0.00 0.00 0.00 179.25 176.16 1nu9 n ASP 1 N -4.30 1.96 -4.68 0.00 4.64 -1.16 -4.98 116.55 108.03 1nu9 n ASP 1 Ca 0.00 -1.89 -0.37 0.00 -1.38 0.00 0.00 54.79 51.15 1nu9 n ASP 1 Cb 0.24 -0.20 0.07 0.00 -1.04 0.00 0.00 41.12 40.19 1nu9 n ASP 1 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nu9 n GLY 2 N 1.04 1.64 3.38 0.00 0.00 -0.47 -4.70 105.19 106.08 1nu9 n GLY 2 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1nu9 n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nu9 s LEU 3 N 0.00 5.09 -0.10 0.99 1.43 -1.21 -1.67 118.68 123.20 1nu9 s LEU 3 Ca 0.00 -1.12 -0.30 0.00 -1.03 0.00 0.00 54.13 51.68 1nu9 s LEU 3 Cb 0.00 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1nu9 s LEU 3 CO 0.00 -0.48 1.20 -0.13 0.23 0.00 0.00 176.35 177.17 1nu9 s ARG 4 N 1.58 4.31 0.30 1.70 0.52 -1.26 -4.79 118.95 121.31 1nu9 s ARG 4 Ca 0.03 1.64 0.04 0.00 -0.52 0.00 0.00 55.73 56.93 1nu9 s ARG 4 Cb -0.21 -3.63 0.77 0.00 0.52 0.00 0.00 34.95 32.41 1nu9 s ARG 4 CO 0.07 -0.53 1.66 -1.35 0.02 0.00 0.00 175.30 175.17 1nu9 h PRO 5 N 7.68 0.27 -0.01 3.54 0.11 -1.89 0.51 132.00 142.21 1nu9 h PRO 5 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1nu9 h PRO 5 Cb 1.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1nu9 h PRO 5 CO 0.91 0.18 -0.05 1.28 -0.21 0.00 0.00 178.00 180.12 1nu9 n LEU 6 N -5.15 1.34 0.00 2.35 4.32 -1.26 -4.18 117.00 114.43 1nu9 n LEU 6 Ca 0.23 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.79 1nu9 n LEU 6 Cb 0.72 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1nu9 n LEU 6 CO 0.09 0.23 0.00 0.49 -1.22 0.00 0.00 177.39 176.97 1nu9 n PHE 7 N -0.04 0.00 -0.34 -1.77 3.72 0.13 -4.77 117.46 114.39 1nu9 n PHE 7 Ca 0.18 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.63 1nu9 n PHE 7 Cb 0.34 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.01 1nu9 n PHE 7 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1nu9 h GLU 8 N 0.00 -0.00 0.00 -1.08 3.07 -1.56 0.83 114.58 115.84 1nu9 h GLU 8 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nu9 h GLU 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1nu9 h GLU 8 CO 0.00 -0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 1nu9 n LYS 9 N -5.60 0.02 0.00 2.33 4.76 -0.95 -1.19 118.16 117.53 1nu9 n LYS 9 Ca 0.15 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1nu9 n LYS 9 Cb 0.47 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 1nu9 n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1nu9 n LYS 10 N -1.42 2.23 -3.60 1.97 5.02 0.27 -4.99 118.16 117.64 1nu9 n LYS 10 Ca 0.01 -1.25 -0.26 0.00 -2.02 0.00 0.00 58.31 54.79 1nu9 n LYS 10 Cb 0.04 -0.88 0.04 0.00 -0.02 0.00 0.00 35.03 34.20 1nu9 n LYS 10 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1nu9 n SER 11 N -0.37 -5.37 -4.51 4.39 7.64 -0.15 -4.98 113.62 110.26 1nu9 n SER 11 Ca 0.00 -0.58 -0.32 0.00 1.01 0.00 0.00 58.87 58.99 1nu9 n SER 11 Cb 0.30 -4.29 -0.12 0.00 -1.01 0.00 0.00 64.21 59.09 1nu9 n SER 11 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1nu9 s LEU 12 N -7.09 2.84 0.08 -3.43 1.43 -0.74 -4.99 118.68 106.77 1nu9 s LEU 12 Ca 0.55 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1nu9 s LEU 12 Cb -0.26 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1nu9 s LEU 12 CO 0.68 0.29 0.08 -1.61 0.23 0.00 0.00 176.35 176.02 1nu9 s GLU 13 N -1.22 2.90 0.62 1.70 2.02 -1.26 -3.62 118.70 119.83 1nu9 s GLU 13 Ca 0.15 -0.68 -0.07 0.00 0.02 0.00 0.00 54.97 54.39 1nu9 s GLU 13 Cb -0.11 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1nu9 s GLU 13 CO 0.05 0.57 0.94 0.16 0.02 0.00 0.00 175.26 176.99 1nu9 s ASP 14 N -2.39 5.50 0.61 -0.19 1.47 -1.26 -4.98 116.67 115.43 1nu9 s ASP 14 Ca 0.29 0.74 0.32 0.00 1.18 0.00 0.00 52.55 55.09 1nu9 s ASP 14 Cb -0.12 -1.68 1.85 0.00 -0.34 0.00 0.00 42.92 42.62 1nu9 s ASP 14 CO 0.22 -1.15 2.17 0.11 0.68 0.00 0.00 175.17 177.21 1nu9 h LYS 14 N -0.28 0.00 0.00 2.11 1.57 -2.01 -3.22 116.57 114.75 1nu9 h LYS 14 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1nu9 h LYS 14 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1nu9 h LYS 14 CO 0.61 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.74 1nu9 n THR 14 N -3.59 0.00 -0.34 -0.16 -2.24 -1.26 -4.74 114.28 101.96 1nu9 n THR 14 Ca -0.01 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1nu9 n THR 14 Cb 0.22 1.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.72 1nu9 n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nu9 h GLU 14 N 0.00 0.01 0.00 -0.78 4.81 -1.96 0.68 114.58 117.34 1nu9 h GLU 14 Ca 0.00 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1nu9 h GLU 14 Cb 0.00 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1nu9 h GLU 14 CO 0.00 0.01 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.17 1nu9 h ARG 14 N 0.01 0.00 -2.25 1.92 2.43 -1.85 -3.33 114.38 111.31 1nu9 h ARG 14 Ca 0.58 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.71 1nu9 h ARG 14 Cb 1.14 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1nu9 h ARG 14 CO -0.93 0.03 0.05 0.39 -1.51 0.00 0.00 179.97 177.99 1nu9 n GLU 14 N -3.44 0.63 -0.86 0.20 1.02 0.24 -4.81 120.64 113.62 1nu9 n GLU 14 Ca -0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 1nu9 n GLU 14 Cb 0.13 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1nu9 n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nu9 n LEU 14 N 2.23 0.00 -0.23 -4.62 4.77 -1.25 -4.92 117.00 112.97 1nu9 n LEU 14 Ca 0.08 0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.28 1nu9 n LEU 14 Cb 0.30 -1.29 0.57 0.00 -2.33 0.00 0.00 43.42 40.66 1nu9 n LEU 14 CO 0.09 0.00 1.23 -0.33 -1.33 0.00 0.00 177.39 177.05 1nu9 h GLU 14 N 0.17 0.29 -5.47 3.23 5.08 -1.99 -3.35 114.58 112.53 1nu9 h GLU 14 Ca 0.00 -0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.70 1nu9 h GLU 14 Cb 0.00 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.04 1nu9 h GLU 14 CO 0.00 0.19 0.29 -1.54 -1.00 0.00 0.00 179.01 176.95 1nu9 s SER 14 N -5.59 6.31 -0.14 1.42 1.04 -1.26 -5.00 113.70 110.47 1nu9 s SER 14 Ca -0.07 -0.50 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 1nu9 s SER 14 Cb 0.23 -2.36 0.13 0.00 0.10 0.00 0.00 66.02 64.11 1nu9 s SER 14 CO 0.78 -1.00 1.01 -0.47 0.98 0.00 0.00 173.24 174.55 1nu9 s TYR 14 N 3.23 -0.33 0.00 5.02 6.14 -1.26 -4.91 117.35 125.23 1nu9 s TYR 14 Ca 0.24 0.49 0.00 0.00 0.64 0.00 0.00 57.07 58.44 1nu9 s TYR 14 Cb -0.15 0.47 0.00 0.00 0.42 0.00 0.00 41.96 42.70 1nu9 s TYR 14 CO 0.17 -0.35 0.00 0.44 0.64 0.00 0.00 175.55 176.45 1nu9 n ILE 14 N 0.48 0.00 -1.09 3.14 -0.00 -1.26 -5.15 119.36 115.49 1nu9 n ILE 14 Ca -0.09 0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 1nu9 n ILE 14 Cb 0.59 -0.96 0.00 0.00 -0.00 0.00 0.00 39.64 39.27 1nu9 n ILE 14 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1nu9 n ASP 14 N -2.09 -1.45 -3.74 7.28 -0.08 -1.26 -5.14 116.55 110.07 1nu9 n ASP 14 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1nu9 n ASP 14 Cb 0.00 -0.72 -0.06 0.00 2.34 0.00 0.00 41.12 42.68 1nu9 n ASP 14 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1nu9 s GLY 14 N 0.00 -0.10 0.00 0.27 0.00 -1.26 -5.02 107.32 101.20 1nu9 s GLY 14 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1nu9 s GLY 14 CO 0.00 -0.50 0.00 0.54 0.00 0.00 0.00 173.10 173.14 1nu9 n ARG 15 N -0.06 0.00 -2.09 2.90 1.74 -1.26 -4.48 116.66 113.42 1nu9 n ARG 15 Ca -0.16 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 1nu9 n ARG 15 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 1nu9 n ARG 15 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nu9 s ILE 16 N 0.00 3.63 -0.11 0.55 1.01 -1.26 -5.00 121.20 120.02 1nu9 s ILE 16 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 60.65 61.53 1nu9 s ILE 16 Cb 0.00 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 38.93 1nu9 s ILE 16 CO 0.00 -0.05 -0.18 -0.69 0.00 0.00 0.00 174.94 174.02 1nu9 s VAL 17 N 3.52 1.69 0.62 2.92 1.01 -1.26 -4.96 120.40 123.95 1nu9 s VAL 17 Ca 0.69 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1nu9 s VAL 17 Cb -0.32 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1nu9 s VAL 17 CO 0.27 0.48 1.05 -0.70 0.00 0.00 0.00 175.10 176.20 1nu9 s GLU 18 N 0.81 3.26 0.95 2.72 2.56 -1.26 -5.04 118.70 122.70 1nu9 s GLU 18 Ca -0.10 1.06 -0.11 0.00 0.00 0.00 0.00 54.97 55.82 1nu9 s GLU 18 Cb -0.16 -2.03 0.16 0.00 2.00 0.00 0.00 34.13 34.10 1nu9 s GLU 18 CO 0.01 -0.85 1.09 0.20 -0.56 0.00 0.00 175.26 175.15 1nu9 s GLY 19 N -3.27 1.62 0.06 -1.50 0.00 -1.26 -4.97 107.32 97.99 1nu9 s GLY 19 Ca 0.60 0.05 0.24 0.00 0.00 0.00 0.00 44.72 45.62 1nu9 s GLY 19 CO 0.44 0.57 1.21 -1.14 0.00 0.00 0.00 173.10 174.19 1nu9 n SER 20 N -4.14 0.63 -4.73 1.64 3.41 -1.26 -4.89 113.62 104.27 1nu9 n SER 20 Ca 0.07 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.12 1nu9 n SER 20 Cb 0.54 0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1nu9 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1nu9 s ASP 21 N -3.76 6.71 0.52 4.04 1.11 -1.26 -0.46 116.67 123.56 1nu9 s ASP 21 Ca 0.06 2.56 -0.20 0.00 0.18 0.00 0.00 52.55 55.15 1nu9 s ASP 21 Cb 0.15 -2.61 -0.07 0.00 1.07 0.00 0.00 42.92 41.46 1nu9 s ASP 21 CO 0.75 -0.69 1.10 0.00 1.18 0.00 0.00 175.17 177.51 1nu9 s ALA 22 N 0.47 2.77 0.43 5.23 0.00 0.50 -4.83 121.76 126.32 1nu9 s ALA 22 Ca 0.62 0.75 -0.18 0.00 0.00 0.00 0.00 51.96 53.16 1nu9 s ALA 22 Cb -0.41 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.30 1nu9 s ALA 22 CO 0.37 -0.60 0.90 -1.21 0.00 0.00 0.00 175.76 175.22 1nu9 s GLU 23 N -3.25 4.07 0.12 0.00 2.02 -1.26 -4.90 118.70 115.51 1nu9 s GLU 23 Ca 0.71 0.92 -0.33 0.00 0.02 0.00 0.00 54.97 56.28 1nu9 s GLU 23 Cb -0.21 -2.24 -0.13 0.00 0.10 0.00 0.00 34.13 31.65 1nu9 s GLU 23 CO 0.25 -0.05 1.70 -0.89 0.02 0.00 0.00 175.26 176.28 1nu9 n ILE 24 N -0.89 0.16 -1.09 -1.63 -0.00 -1.26 -1.71 119.36 112.95 1nu9 n ILE 24 Ca 0.06 -0.03 -0.03 0.00 -0.00 0.00 0.00 62.75 62.75 1nu9 n ILE 24 Cb 0.54 -1.77 -0.01 0.00 -0.00 0.00 0.00 39.64 38.40 1nu9 n ILE 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1nu9 n GLY 25 N 3.80 0.58 0.07 7.39 0.00 -1.26 -4.93 105.19 110.84 1nu9 n GLY 25 Ca 0.18 -0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1nu9 n GLY 25 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nu9 n MET 26 N -2.11 0.14 -3.15 1.61 0.00 -0.69 -3.87 117.12 109.05 1nu9 n MET 26 Ca -0.03 0.19 -0.20 0.00 0.00 0.00 0.00 57.70 57.66 1nu9 n MET 26 Cb 0.20 -1.69 -0.04 0.00 0.00 0.00 0.00 33.22 31.69 1nu9 n MET 26 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1nu9 n SER 27 N -1.93 0.11 0.00 3.17 2.88 -1.26 -4.97 113.62 111.61 1nu9 n SER 27 Ca 0.05 -2.87 0.03 0.00 -1.33 0.00 0.00 58.87 54.75 1nu9 n SER 27 Cb 0.33 -0.39 0.18 0.00 -0.75 0.00 0.00 64.21 63.58 1nu9 n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1nu9 n PRO 28 N 1.01 0.10 0.00 -1.46 -0.04 -1.25 -0.77 135.00 132.59 1nu9 n PRO 28 Ca 0.21 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 1nu9 n PRO 28 Cb 0.59 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.82 1nu9 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1nu9 n TRP 29 N -1.28 0.00 -1.88 0.54 2.14 -1.10 -1.50 117.44 114.36 1nu9 n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 1nu9 n TRP 29 Cb 0.06 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.52 1nu9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nu9 s GLN 30 N -2.07 4.19 0.03 -2.67 2.00 0.05 -0.78 119.66 120.41 1nu9 s GLN 30 Ca 0.31 2.44 0.04 0.00 -2.00 0.00 0.00 55.36 56.15 1nu9 s GLN 30 Cb 0.20 -3.10 -0.02 0.00 0.80 0.00 0.00 33.01 30.89 1nu9 s GLN 30 CO 0.35 -0.60 -0.13 0.08 -0.50 0.00 0.00 175.29 174.49 1nu9 s VAL 31 N 0.69 1.01 -0.23 1.34 1.01 -0.20 -3.93 120.40 120.09 1nu9 s VAL 31 Ca 0.67 -0.89 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1nu9 s VAL 31 Cb -0.45 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1nu9 s VAL 31 CO 0.37 0.03 0.04 -0.32 0.00 0.00 0.00 175.10 175.22 1nu9 s MET 32 N -0.98 3.67 -0.32 2.72 1.75 -0.20 -1.02 119.30 124.93 1nu9 s MET 32 Ca 0.01 -0.48 -0.19 0.00 -1.25 0.00 0.00 55.69 53.78 1nu9 s MET 32 Cb -0.07 -3.23 -0.01 0.00 2.84 0.00 0.00 34.83 34.36 1nu9 s MET 32 CO 0.01 -0.08 0.55 -1.17 -0.65 0.00 0.00 175.02 173.67 1nu9 s LEU 33 N 1.30 4.21 -0.12 4.11 2.96 0.85 -0.99 118.68 131.01 1nu9 s LEU 33 Ca 0.05 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.20 1nu9 s LEU 33 Cb -0.15 -2.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1nu9 s LEU 33 CO 0.03 -0.44 -0.21 0.12 -1.32 0.00 0.00 176.35 174.53 1nu9 s PHE 34 N 2.45 2.65 -0.02 5.38 5.36 -0.08 -1.27 117.98 132.44 1nu9 s PHE 34 Ca 0.21 -1.01 -0.29 0.00 -0.96 0.00 0.00 56.93 54.88 1nu9 s PHE 34 Cb -0.15 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.73 1nu9 s PHE 34 CO 0.12 -0.41 0.95 0.50 -1.46 0.00 0.00 175.22 174.92 1nu9 s ARG 35 N 0.46 4.53 0.19 10.12 3.52 0.10 -1.47 118.95 136.41 1nu9 s ARG 35 Ca -0.14 1.35 -0.04 0.00 -0.13 0.00 0.00 55.73 56.77 1nu9 s ARG 35 Cb -0.17 -3.47 0.12 0.00 -1.56 0.00 0.00 34.95 29.87 1nu9 s ARG 35 CO 0.06 -0.06 1.54 0.87 -0.81 0.00 0.00 175.30 176.89 1nu9 h LYS 36 N 6.83 0.66 -1.75 5.12 1.57 -1.72 -2.24 116.57 125.03 1nu9 h LYS 36 Ca -0.40 -0.36 0.10 0.00 -1.87 0.00 0.00 60.65 58.12 1nu9 h LYS 36 Cb 1.21 0.02 -0.21 0.00 0.08 0.00 0.00 32.23 33.33 1nu9 h LYS 36 CO 0.76 0.97 -0.08 0.45 -0.57 0.00 0.00 179.45 180.97 1nu9 s SER 36 N -6.87 -1.07 0.31 0.86 0.15 -1.26 -3.27 113.70 102.54 1nu9 s SER 36 Ca -0.08 1.39 -0.29 0.00 0.70 0.00 0.00 55.95 57.67 1nu9 s SER 36 Cb 0.12 2.19 -0.10 0.00 -1.71 0.00 0.00 66.02 66.52 1nu9 s SER 36 CO 0.84 -0.21 1.15 -2.16 1.20 0.00 0.00 173.24 174.07 1nu9 s PRO 37 N 2.83 4.50 0.04 5.44 0.04 -1.26 -5.06 135.00 141.53 1nu9 s PRO 37 Ca -0.03 1.88 -0.38 0.00 0.04 0.00 0.00 61.00 62.51 1nu9 s PRO 37 Cb -0.11 -3.08 -0.19 0.00 0.04 0.00 0.00 34.50 31.16 1nu9 s PRO 37 CO -0.19 0.06 1.07 1.04 0.04 0.00 0.00 177.00 179.03 1nu9 n GLN 38 N 0.94 0.27 -3.64 4.56 6.02 -1.20 -4.82 117.38 119.50 1nu9 n GLN 38 Ca -0.00 0.10 -0.06 0.00 -0.01 0.00 0.00 57.00 57.02 1nu9 n GLN 38 Cb 0.45 -1.58 -0.07 0.00 1.02 0.00 0.00 30.24 30.06 1nu9 n GLN 38 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nu9 s GLU 39 N -0.03 0.51 -0.52 -1.09 2.12 -0.84 -4.98 118.70 113.87 1nu9 s GLU 39 Ca 0.86 0.75 -0.28 0.00 0.36 0.00 0.00 54.97 56.66 1nu9 s GLU 39 Cb -1.16 0.17 0.03 0.00 0.26 0.00 0.00 34.13 33.43 1nu9 s GLU 39 CO 0.55 -0.09 1.14 -1.17 -0.54 0.00 0.00 175.26 175.15 1nu9 s LEU 40 N 0.91 3.61 -0.16 2.70 1.98 -1.26 0.01 118.68 126.47 1nu9 s LEU 40 Ca -0.04 0.25 -0.23 0.00 -2.89 0.00 0.00 54.13 51.22 1nu9 s LEU 40 Cb -0.04 -3.33 -0.20 0.00 0.66 0.00 0.00 46.19 43.28 1nu9 s LEU 40 CO -0.11 -1.34 0.47 -0.07 -1.89 0.00 0.00 176.35 173.41 1nu9 h LEU 41 N 11.46 0.00 -7.99 -0.68 3.38 -1.55 -3.48 115.31 116.45 1nu9 h LEU 41 Ca -0.24 -0.69 0.02 0.00 0.09 0.00 0.00 57.88 57.05 1nu9 h LEU 41 Cb 1.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1nu9 h LEU 41 CO 1.14 1.09 0.27 0.00 0.09 0.00 0.00 178.44 181.04 1nu9 s GLY 43 N -3.03 1.73 0.17 0.00 0.00 -0.14 -0.11 107.32 105.94 1nu9 s GLY 43 Ca 0.14 -2.06 -0.23 0.00 0.00 0.00 0.00 44.72 42.57 1nu9 s GLY 43 CO 0.10 -1.56 1.06 0.00 0.00 0.00 0.00 173.10 172.70 1nu9 s ALA 44 N -2.81 -1.68 0.01 3.20 0.00 -0.19 -3.91 121.76 116.39 1nu9 s ALA 44 Ca 0.63 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 52.26 1nu9 s ALA 44 Cb -0.05 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1nu9 s ALA 44 CO 0.41 -1.07 0.04 -1.54 0.00 0.00 0.00 175.76 173.59 1nu9 s SER 45 N -3.46 0.15 -0.23 0.00 1.04 -0.24 -1.03 113.70 109.92 1nu9 s SER 45 Ca 0.23 -0.36 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 1nu9 s SER 45 Cb -0.02 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 1nu9 s SER 45 CO 0.05 -0.32 0.47 -0.22 0.98 0.00 0.00 173.24 174.20 1nu9 s LEU 46 N -1.37 4.10 0.00 2.42 0.20 0.04 -0.64 118.68 123.42 1nu9 s LEU 46 Ca -0.15 0.53 0.07 0.00 0.69 0.00 0.00 54.13 55.27 1nu9 s LEU 46 Cb -0.09 -2.61 0.02 0.00 -0.43 0.00 0.00 46.19 43.08 1nu9 s LEU 46 CO 0.00 -0.20 0.59 2.30 -0.29 0.00 0.00 176.35 178.75 1nu9 n ILE 47 N 4.82 0.00 -3.85 6.68 -5.35 -0.48 -2.02 119.36 119.17 1nu9 n ILE 47 Ca -0.06 -0.45 -0.04 0.00 -0.27 0.00 0.00 62.75 61.93 1nu9 n ILE 47 Cb 0.50 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.52 1nu9 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1nu9 s SER 48 N -0.95 -0.03 0.00 7.28 1.04 -1.20 -4.78 113.70 115.06 1nu9 s SER 48 Ca 0.07 -0.69 0.22 0.00 0.48 0.00 0.00 55.95 56.03 1nu9 s SER 48 Cb 0.06 0.54 1.20 0.00 0.10 0.00 0.00 66.02 67.92 1nu9 s SER 48 CO 0.15 -1.07 1.71 -0.90 0.98 0.00 0.00 173.24 174.12 1nu9 n ASP 49 N -1.11 0.00 0.00 7.02 5.75 -1.26 -3.47 116.55 123.48 1nu9 n ASP 49 Ca -0.04 -0.28 0.00 0.00 -0.01 0.00 0.00 54.79 54.46 1nu9 n ASP 49 Cb 0.60 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 1nu9 n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nu9 n ARG 50 N -1.18 1.27 -4.90 0.11 5.12 -1.26 0.29 116.66 116.11 1nu9 n ARG 50 Ca 0.13 -0.10 -0.27 0.00 -1.93 0.00 0.00 57.85 55.68 1nu9 n ARG 50 Cb 0.14 -0.45 -0.16 0.00 -1.16 0.00 0.00 32.46 30.82 1nu9 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1nu9 s TRP 51 N -0.21 1.81 -0.05 -1.55 0.52 -1.23 -0.82 118.94 117.43 1nu9 s TRP 51 Ca 0.00 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.66 1nu9 s TRP 51 Cb 0.00 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 31.10 1nu9 s TRP 51 CO 0.00 -0.16 -0.22 0.08 0.02 0.00 0.00 176.95 176.67 1nu9 s VAL 52 N -0.02 1.78 -0.04 4.03 1.01 -0.28 -1.38 120.40 125.48 1nu9 s VAL 52 Ca -0.03 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 1nu9 s VAL 52 Cb -0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1nu9 s VAL 52 CO 0.02 0.50 0.07 -0.22 0.00 0.00 0.00 175.10 175.47 1nu9 s LEU 53 N -0.13 3.88 0.00 3.92 2.96 0.18 -0.47 118.68 129.02 1nu9 s LEU 53 Ca -0.02 0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1nu9 s LEU 53 Cb -0.12 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1nu9 s LEU 53 CO 0.03 0.32 0.31 1.07 -1.32 0.00 0.00 176.35 176.76 1nu9 n THR 54 N 1.54 0.00 -3.43 3.68 5.66 -0.47 -1.08 114.28 120.18 1nu9 n THR 54 Ca -0.15 -0.49 -0.37 0.00 -3.05 0.00 0.00 64.05 59.99 1nu9 n THR 54 Cb 0.53 0.43 -0.06 0.00 -1.55 0.00 0.00 70.33 69.69 1nu9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nu9 s ALA 55 N -1.58 3.64 0.17 1.79 0.00 -1.26 -1.14 121.76 123.38 1nu9 s ALA 55 Ca 0.08 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 1nu9 s ALA 55 Cb -0.02 -2.45 0.07 0.00 0.00 0.00 0.00 23.12 20.71 1nu9 s ALA 55 CO 0.06 0.47 1.66 0.00 0.00 0.00 0.00 175.76 177.95 1nu9 h ALA 56 N 4.11 0.80 0.00 0.00 0.00 -1.70 -2.69 119.26 119.77 1nu9 h ALA 56 Ca -0.50 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1nu9 h ALA 56 Cb 1.20 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nu9 h ALA 56 CO 0.64 0.57 0.00 -2.39 0.00 0.00 0.00 179.25 178.08 1nu9 n HIS 57 N -4.27 0.00 0.13 0.00 1.44 -1.26 -0.47 115.22 110.79 1nu9 n HIS 57 Ca 0.03 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.84 1nu9 n HIS 57 Cb 0.29 -0.17 0.04 0.00 0.12 0.00 0.00 29.99 30.27 1nu9 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nu9 n LEU 59 N -2.85 1.53 -3.69 0.00 4.77 0.37 -4.86 117.00 112.27 1nu9 n LEU 59 Ca 0.00 -0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 1nu9 n LEU 59 Cb 0.59 -0.16 -0.17 0.00 -2.33 0.00 0.00 43.42 41.35 1nu9 n LEU 59 CO 0.39 0.59 -0.35 -0.22 -1.33 0.00 0.00 177.39 176.46 1nu9 s LEU 60 N -5.58 0.53 0.21 2.23 2.96 0.33 -0.92 118.68 118.45 1nu9 s LEU 60 Ca -0.16 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.19 1nu9 s LEU 60 Cb 0.05 -0.34 0.03 0.00 0.50 0.00 0.00 46.19 46.43 1nu9 s LEU 60 CO 0.51 -0.28 0.56 -0.47 -1.32 0.00 0.00 176.35 175.35 1nu9 s TYR 60 N 2.05 -0.11 0.00 5.38 5.04 -0.07 -3.99 117.35 125.64 1nu9 s TYR 60 Ca 0.03 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.41 1nu9 s TYR 60 Cb -0.14 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1nu9 s TYR 60 CO -0.06 -0.98 0.00 -2.30 -1.34 0.00 0.00 175.55 170.86 1nu9 n PRO 60 N -0.37 0.00 -0.03 4.97 -0.02 -1.26 -1.08 135.00 137.20 1nu9 n PRO 60 Ca -0.08 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.43 1nu9 n PRO 60 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.15 1nu9 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nu9 n TRP 60 N 0.00 0.00 -3.75 6.00 8.01 -1.26 -4.98 117.44 121.46 1nu9 n TRP 60 Ca 0.00 -0.67 -0.22 0.00 -1.31 0.00 0.00 57.50 55.30 1nu9 n TRP 60 Cb 0.00 -0.09 0.02 0.00 -2.01 0.00 0.00 31.31 29.23 1nu9 n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1nu9 n ASP 60 N -0.83 -1.10 -4.39 -0.99 4.64 -1.12 -4.97 116.55 107.78 1nu9 n ASP 60 Ca 0.06 -0.87 -0.34 0.00 -1.38 0.00 0.00 54.79 52.26 1nu9 n ASP 60 Cb 0.40 -3.81 -0.13 0.00 -1.04 0.00 0.00 41.12 36.54 1nu9 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1nu9 s LYS 60 N -6.10 3.48 -0.48 -0.67 2.20 -0.24 -5.01 119.74 112.92 1nu9 s LYS 60 Ca 0.02 -0.61 0.05 0.00 -0.36 0.00 0.00 55.97 55.07 1nu9 s LYS 60 Cb -0.01 -2.86 0.22 0.00 -1.51 0.00 0.00 37.83 33.67 1nu9 s LYS 60 CO 0.83 0.08 0.85 -1.71 -0.36 0.00 0.00 175.35 175.04 1nu9 n ASN 60 N 3.96 -2.97 -4.80 1.43 5.15 -1.21 -0.90 115.26 115.93 1nu9 n ASN 60 Ca -0.18 -2.82 -0.35 0.00 -0.60 0.00 0.00 54.58 50.62 1nu9 n ASN 60 Cb 0.52 1.64 -0.07 0.00 -0.53 0.00 0.00 39.78 41.34 1nu9 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1nu9 s PHE 60 N 0.77 3.54 0.39 1.20 0.08 -0.10 -5.01 117.98 118.85 1nu9 s PHE 60 Ca 0.30 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.14 1nu9 s PHE 60 Cb 0.11 -2.89 -0.06 0.00 -0.57 0.00 0.00 43.02 39.61 1nu9 s PHE 60 CO -0.13 0.09 0.09 0.95 -0.10 0.00 0.00 175.22 176.12 1nu9 s THR 60 N -1.84 2.38 0.27 0.64 -4.23 -1.26 -4.89 115.64 106.72 1nu9 s THR 60 Ca 0.55 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1nu9 s THR 60 Cb -0.15 -2.93 0.36 0.00 1.34 0.00 0.00 72.50 71.12 1nu9 s THR 60 CO 0.20 -0.07 1.60 -0.33 -0.54 0.00 0.00 174.62 175.47 1nu9 h GLU 61 N 1.62 0.05 0.00 3.99 3.07 -1.93 0.63 114.58 122.01 1nu9 h GLU 61 Ca -0.43 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1nu9 h GLU 61 Cb 1.25 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1nu9 h GLU 61 CO 0.71 0.03 0.00 0.09 -1.40 0.00 0.00 179.01 178.44 1nu9 n ASN 62 N -5.45 0.49 0.00 1.42 5.03 -1.26 -2.79 115.26 112.69 1nu9 n ASN 62 Ca 0.17 0.62 0.13 0.00 0.87 0.00 0.00 54.58 56.37 1nu9 n ASN 62 Cb 0.57 -0.72 0.58 0.00 -1.02 0.00 0.00 39.78 39.19 1nu9 n ASN 62 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1nu9 n ASP 63 N -2.04 0.00 -2.23 6.41 8.00 0.21 -4.94 116.55 121.97 1nu9 n ASP 63 Ca 0.02 0.49 -0.09 0.00 0.71 0.00 0.00 54.79 55.92 1nu9 n ASP 63 Cb 0.21 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1nu9 n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nu9 n LEU 64 N -1.50 0.00 -3.98 0.64 -0.00 -1.12 -2.07 117.00 108.98 1nu9 n LEU 64 Ca 0.07 -1.75 -0.09 0.00 -0.00 0.00 0.00 56.01 54.23 1nu9 n LEU 64 Cb 0.32 1.66 -0.05 0.00 -0.00 0.00 0.00 43.42 45.34 1nu9 n LEU 64 CO 0.25 -0.42 0.18 -1.48 -0.00 0.00 0.00 177.39 175.92 1nu9 s LEU 65 N 0.00 0.33 0.04 1.47 0.05 -0.54 -4.54 118.68 115.50 1nu9 s LEU 65 Ca 0.17 -0.89 0.08 0.00 0.05 0.00 0.00 54.13 53.55 1nu9 s LEU 65 Cb -0.01 1.77 -0.03 0.00 -2.05 0.00 0.00 46.19 45.88 1nu9 s LEU 65 CO 0.12 -1.12 -0.23 0.68 -0.55 0.00 0.00 176.35 175.25 1nu9 s VAL 66 N -4.00 2.40 -0.18 1.48 -7.23 -0.93 -0.91 120.40 111.03 1nu9 s VAL 66 Ca 0.21 -1.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1nu9 s VAL 66 Cb -0.01 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.99 1nu9 s VAL 66 CO 0.08 0.37 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.90 1nu9 s ARG 67 N -1.28 3.00 0.09 4.82 0.52 -0.16 -1.47 118.95 124.46 1nu9 s ARG 67 Ca 0.13 -0.83 0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1nu9 s ARG 67 Cb -0.10 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1nu9 s ARG 67 CO 0.03 -0.19 -0.19 0.42 0.02 0.00 0.00 175.30 175.40 1nu9 s ILE 68 N 1.24 2.77 -0.03 1.52 1.01 0.12 -1.03 121.20 126.79 1nu9 s ILE 68 Ca 0.04 -1.40 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1nu9 s ILE 68 Cb -0.13 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1nu9 s ILE 68 CO -0.12 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1nu9 n GLY 69 N 1.11 0.44 3.88 6.18 0.00 -1.25 -0.21 105.19 115.33 1nu9 n GLY 69 Ca -0.16 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 1nu9 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu9 s LYS 70 N -1.45 3.66 0.11 1.61 1.02 -1.26 -4.31 119.74 119.11 1nu9 s LYS 70 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1nu9 s LYS 70 Cb 0.00 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 35.06 1nu9 s LYS 70 CO 0.00 -0.30 0.00 1.58 -0.92 0.00 0.00 175.35 175.71 1nu9 n HIS 71 N -2.14 -0.44 -3.46 3.18 -0.00 -1.26 -4.94 115.22 106.16 1nu9 n HIS 71 Ca 0.03 0.08 -0.38 0.00 -0.00 0.00 0.00 57.72 57.45 1nu9 n HIS 71 Cb 0.54 0.13 -0.06 0.00 -0.00 0.00 0.00 29.99 30.61 1nu9 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nu9 s SER 72 N -5.49 6.80 0.00 0.26 0.15 -1.26 -2.18 113.70 111.98 1nu9 s SER 72 Ca 0.00 0.95 0.25 0.00 0.70 0.00 0.00 55.95 57.85 1nu9 s SER 72 Cb 0.00 -2.26 0.50 0.00 -1.71 0.00 0.00 66.02 62.55 1nu9 s SER 72 CO 0.00 0.28 1.40 -2.11 1.20 0.00 0.00 173.24 174.01 1nu9 n ARG 73 N 2.09 0.31 0.00 5.44 1.85 0.94 -4.22 116.66 123.06 1nu9 n ARG 73 Ca -0.13 -0.19 0.14 0.00 -1.00 0.00 0.00 57.85 56.67 1nu9 n ARG 73 Cb 0.52 -1.50 0.64 0.00 -1.05 0.00 0.00 32.46 31.07 1nu9 n ARG 73 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1nu9 n THR 74 N -1.18 0.00 -3.77 8.89 -2.24 -1.26 -4.88 114.28 109.84 1nu9 n THR 74 Ca 0.08 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.60 1nu9 n THR 74 Cb 0.34 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 1nu9 n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nu9 s ARG 75 N -2.07 0.91 0.05 -0.78 1.81 -1.26 -5.13 118.95 112.47 1nu9 s ARG 75 Ca 0.39 -0.81 -0.30 0.00 -1.72 0.00 0.00 55.73 53.29 1nu9 s ARG 75 Cb 0.21 0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 35.05 1nu9 s ARG 75 CO 0.37 -0.31 1.00 -0.47 -0.68 0.00 0.00 175.30 175.20 1nu9 s TYR 76 N -3.62 3.69 -0.92 -0.53 5.04 -1.26 -4.87 117.35 114.88 1nu9 s TYR 76 Ca 0.03 1.70 -0.02 0.00 -2.44 0.00 0.00 57.07 56.33 1nu9 s TYR 76 Cb 0.03 -3.13 0.23 0.00 0.35 0.00 0.00 41.96 39.44 1nu9 s TYR 76 CO -0.10 -0.07 0.82 -1.21 -1.34 0.00 0.00 175.55 173.65 1nu9 s GLU 77 N 0.63 3.38 0.57 4.97 2.02 -1.26 -4.97 118.70 124.04 1nu9 s GLU 77 Ca 0.51 -3.29 0.29 0.00 0.02 0.00 0.00 54.97 52.51 1nu9 s GLU 77 Cb -0.23 -4.02 1.46 0.00 0.10 0.00 0.00 34.13 31.45 1nu9 s GLU 77 CO 0.29 -1.26 1.89 0.07 0.02 0.00 0.00 175.26 176.27 1nu9 h ARG 77 N 6.06 0.00 0.00 1.61 0.11 -1.94 0.10 114.38 120.32 1nu9 h ARG 77 Ca 0.16 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.19 1nu9 h ARG 77 Cb 0.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 1nu9 h ARG 77 CO 0.87 0.00 -0.77 -0.91 0.10 0.00 0.00 179.97 179.27 1nu9 h ASN 78 N 0.00 0.00 0.00 0.08 2.35 -2.01 -3.40 115.58 112.60 1nu9 h ASN 78 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1nu9 h ASN 78 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1nu9 h ASN 78 CO -0.00 0.19 -0.96 2.30 -1.65 0.00 0.00 177.43 177.31 1nu9 n ILE 79 N -2.91 0.00 -2.48 2.81 -5.35 -0.86 -5.07 119.36 105.51 1nu9 n ILE 79 Ca -0.01 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.08 1nu9 n ILE 79 Cb 0.63 -0.36 -0.04 0.00 -1.74 0.00 0.00 39.64 38.13 1nu9 n ILE 79 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1nu9 s GLU 80 N -1.94 4.45 -0.05 6.28 2.12 0.30 -4.58 118.70 125.28 1nu9 s GLU 80 Ca 0.00 1.72 0.02 0.00 0.36 0.00 0.00 54.97 57.07 1nu9 s GLU 80 Cb 0.00 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.45 1nu9 s GLU 80 CO 0.00 0.06 -0.07 0.15 -0.54 0.00 0.00 175.26 174.86 1nu9 s LYS 81 N -1.82 1.10 -0.21 4.30 -0.14 0.70 -4.87 119.74 118.79 1nu9 s LYS 81 Ca 0.49 -0.21 -0.06 0.00 -1.36 0.00 0.00 55.97 54.84 1nu9 s LYS 81 Cb -0.29 -1.00 -0.03 0.00 -1.68 0.00 0.00 37.83 34.83 1nu9 s LYS 81 CO 0.37 -0.04 0.02 0.42 -0.76 0.00 0.00 175.35 175.37 1nu9 s ILE 82 N 0.79 4.11 -0.05 2.17 -1.09 -1.26 0.12 121.20 126.00 1nu9 s ILE 82 Ca -0.12 -0.25 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 1nu9 s ILE 82 Cb -0.15 -2.88 -0.01 0.00 -1.58 0.00 0.00 42.46 37.84 1nu9 s ILE 82 CO 0.01 0.41 -0.24 -0.44 -1.23 0.00 0.00 174.94 173.45 1nu9 s SER 83 N 1.13 2.91 0.25 3.58 0.01 -0.54 -4.97 113.70 116.07 1nu9 s SER 83 Ca 0.03 -0.48 -0.28 0.00 1.31 0.00 0.00 55.95 56.53 1nu9 s SER 83 Cb -0.14 -0.68 -0.09 0.00 0.21 0.00 0.00 66.02 65.31 1nu9 s SER 83 CO 0.02 0.25 0.92 -0.32 0.41 0.00 0.00 173.24 174.52 1nu9 s MET 84 N -0.24 4.75 -0.02 12.44 1.75 -1.26 -2.19 119.30 134.52 1nu9 s MET 84 Ca -0.00 1.41 -0.25 0.00 -1.25 0.00 0.00 55.69 55.60 1nu9 s MET 84 Cb -0.12 -3.15 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 1nu9 s MET 84 CO 0.02 0.46 0.76 -0.51 -0.65 0.00 0.00 175.02 175.10 1nu9 s LEU 85 N -1.42 4.37 -0.14 4.11 1.02 -1.26 -2.03 118.68 123.32 1nu9 s LEU 85 Ca 0.43 1.33 -0.16 0.00 0.02 0.00 0.00 54.13 55.75 1nu9 s LEU 85 Cb -0.24 -3.19 -0.24 0.00 0.02 0.00 0.00 46.19 42.54 1nu9 s LEU 85 CO 0.29 -0.09 0.41 -0.08 0.02 0.00 0.00 176.35 176.90 1nu9 h GLU 86 N 6.40 0.16 -2.20 1.70 4.81 -0.77 -3.44 114.58 121.23 1nu9 h GLU 86 Ca -0.42 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.48 1nu9 h GLU 86 Cb 1.20 0.10 -0.21 0.00 0.63 0.00 0.00 28.75 30.47 1nu9 h GLU 86 CO 0.74 1.13 0.04 0.21 -0.73 0.00 0.00 179.01 180.39 1nu9 s LYS 87 N -2.45 0.77 -0.10 1.92 2.36 -1.13 -4.98 119.74 116.14 1nu9 s LYS 87 Ca -0.23 0.80 -0.03 0.00 -2.55 0.00 0.00 55.97 53.95 1nu9 s LYS 87 Cb 0.05 0.37 -0.04 0.00 -1.05 0.00 0.00 37.83 37.17 1nu9 s LYS 87 CO 0.70 -0.11 0.04 0.42 1.55 0.00 0.00 175.35 177.95 1nu9 s ILE 88 N 0.15 4.65 -0.31 5.43 1.01 -1.26 -0.92 121.20 129.95 1nu9 s ILE 88 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1nu9 s ILE 88 Cb -0.04 -2.98 0.09 0.00 0.01 0.00 0.00 42.46 39.54 1nu9 s ILE 88 CO 0.02 0.60 0.07 -0.31 0.00 0.00 0.00 174.94 175.32 1nu9 s TYR 89 N -0.85 2.37 0.07 3.97 2.02 0.06 -5.00 117.35 119.98 1nu9 s TYR 89 Ca 0.13 -2.09 -0.18 0.00 -0.37 0.00 0.00 57.07 54.56 1nu9 s TYR 89 Cb -0.12 -2.04 -0.07 0.00 -0.40 0.00 0.00 41.96 39.34 1nu9 s TYR 89 CO 0.03 -0.88 0.54 0.42 -1.57 0.00 0.00 175.55 174.08 1nu9 s ILE 90 N 1.39 4.80 0.04 2.71 1.01 -1.26 -1.17 121.20 128.72 1nu9 s ILE 90 Ca 0.08 1.11 -0.33 0.00 0.00 0.00 0.00 60.65 61.51 1nu9 s ILE 90 Cb -0.18 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 1nu9 s ILE 90 CO -0.18 0.53 1.77 1.57 0.00 0.00 0.00 174.94 178.63 1nu9 n HIS 91 N 1.65 2.37 0.32 3.97 -0.00 -1.09 -4.82 115.22 117.62 1nu9 n HIS 91 Ca -0.11 0.05 0.20 0.00 -0.00 0.00 0.00 57.72 57.87 1nu9 n HIS 91 Cb 0.51 -2.64 1.11 0.00 -0.00 0.00 0.00 29.99 28.97 1nu9 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1nu9 h PRO 92 N 7.96 0.00 -0.57 1.57 0.13 -1.94 -1.62 132.00 137.54 1nu9 h PRO 92 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1nu9 h PRO 92 Cb 1.26 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.20 1nu9 h PRO 92 CO 0.93 0.00 0.12 0.54 -0.23 0.00 0.00 178.00 179.35 1nu9 n ARG 93 N -3.36 2.05 -2.11 0.86 1.74 -1.26 -4.96 116.66 109.62 1nu9 n ARG 93 Ca -0.03 -3.20 -0.42 0.00 -0.77 0.00 0.00 57.85 53.43 1nu9 n ARG 93 Cb 0.08 -1.95 -0.03 0.00 -1.02 0.00 0.00 32.46 29.54 1nu9 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1nu9 s TYR 94 N -3.31 2.29 -1.12 -1.55 5.04 -0.61 -4.72 117.35 113.37 1nu9 s TYR 94 Ca 0.49 0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 55.50 1nu9 s TYR 94 Cb 0.43 -3.81 0.28 0.00 0.35 0.00 0.00 41.96 39.22 1nu9 s TYR 94 CO 0.03 -3.25 1.45 -1.71 -1.34 0.00 0.00 175.55 170.72 1nu9 n ASN 95 N 6.69 6.03 0.19 4.32 2.85 -0.44 -4.86 115.26 130.03 1nu9 n ASN 95 Ca 0.16 -3.28 0.04 0.00 -0.11 0.00 0.00 54.58 51.39 1nu9 n ASN 95 Cb 0.43 -1.33 0.37 0.00 1.24 0.00 0.00 39.78 40.49 1nu9 n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1nu9 h TRP 96 N 5.81 0.00 0.00 1.20 5.08 -1.92 -2.15 115.95 123.98 1nu9 h TRP 96 Ca 0.22 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.19 1nu9 h TRP 96 Cb 0.68 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.84 1nu9 h TRP 96 CO 0.99 0.38 0.00 2.89 -1.28 0.00 0.00 178.44 181.42 1nu9 n ARG 97 N -3.88 0.13 0.00 0.12 1.85 -1.26 -4.52 116.66 109.10 1nu9 n ARG 97 Ca -0.01 0.20 -0.03 0.00 -1.00 0.00 0.00 57.85 57.00 1nu9 n ARG 97 Cb 0.44 -1.68 -0.01 0.00 -1.05 0.00 0.00 32.46 30.16 1nu9 n ARG 97 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1nu9 n GLU 97 N -1.92 0.08 -0.29 2.89 2.13 -1.17 -5.00 120.64 117.36 1nu9 n GLU 97 Ca 0.05 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1nu9 n GLU 97 Cb 0.33 -0.64 0.00 0.00 0.27 0.00 0.00 31.44 31.39 1nu9 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1nu9 n ASN 98 N -3.39 0.00 -1.93 4.31 0.23 -1.16 -4.83 115.26 108.49 1nu9 n ASN 98 Ca -0.05 -1.21 -0.20 0.00 -0.53 0.00 0.00 54.58 52.58 1nu9 n ASN 98 Cb 0.34 -0.04 -0.04 0.00 -2.08 0.00 0.00 39.78 37.96 1nu9 n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1nu9 n LEU 99 N 0.00 -1.70 -4.71 -4.53 4.77 -0.82 -4.94 117.00 105.07 1nu9 n LEU 99 Ca 0.00 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.76 1nu9 n LEU 99 Cb 0.54 -2.79 -0.02 0.00 -2.33 0.00 0.00 43.42 38.82 1nu9 n LEU 99 CO 0.00 -0.59 1.12 -0.67 -1.33 0.00 0.00 177.39 175.92 1nu9 n ASP 100 N -1.53 3.33 -3.02 -1.43 2.03 -1.25 -1.67 116.55 113.01 1nu9 n ASP 100 Ca -0.22 1.15 -0.20 0.00 0.52 0.00 0.00 54.79 56.04 1nu9 n ASP 100 Cb 0.67 -1.52 0.06 0.00 -0.72 0.00 0.00 41.12 39.61 1nu9 n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nu9 n ARG 101 N 1.93 -6.10 -2.20 -0.67 1.74 -1.26 -1.33 116.66 108.76 1nu9 n ARG 101 Ca 0.09 0.75 -0.31 0.00 -0.77 0.00 0.00 57.85 57.61 1nu9 n ARG 101 Cb 0.35 -5.45 -0.04 0.00 -1.02 0.00 0.00 32.46 26.30 1nu9 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nu9 s ASP 102 N -3.10 5.55 -0.12 0.55 2.15 -0.67 -4.49 116.67 116.54 1nu9 s ASP 102 Ca 0.43 -1.07 -0.29 0.00 0.43 0.00 0.00 52.55 52.05 1nu9 s ASP 102 Cb -0.19 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 39.93 1nu9 s ASP 102 CO 0.53 -2.40 0.70 -0.51 -0.17 0.00 0.00 175.17 173.32 1nu9 s ILE 103 N 8.65 0.00 0.08 4.11 2.07 -1.26 -3.97 121.20 130.87 1nu9 s ILE 103 Ca 0.63 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.71 1nu9 s ILE 103 Cb -0.04 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.58 1nu9 s ILE 103 CO -0.01 0.00 0.38 0.00 -1.91 0.00 0.00 174.94 173.40 1nu9 s ALA 104 N -0.69 -0.90 0.16 1.50 0.00 -0.30 -2.69 121.76 118.84 1nu9 s ALA 104 Ca -0.07 0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.08 1nu9 s ALA 104 Cb -0.02 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1nu9 s ALA 104 CO 0.07 -0.53 -0.25 -0.51 0.00 0.00 0.00 175.76 174.54 1nu9 s LEU 105 N -2.37 2.37 -0.06 0.00 1.43 -0.31 -1.37 118.68 118.37 1nu9 s LEU 105 Ca -0.01 -0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1nu9 s LEU 105 Cb 0.01 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1nu9 s LEU 105 CO -0.07 0.14 0.01 -0.04 0.23 0.00 0.00 176.35 176.62 1nu9 s MET 106 N -2.34 0.45 -0.14 1.70 -1.94 0.39 -0.76 119.30 116.65 1nu9 s MET 106 Ca 0.16 0.15 -0.17 0.00 -1.71 0.00 0.00 55.69 54.12 1nu9 s MET 106 Cb -0.09 -0.82 -0.04 0.00 2.01 0.00 0.00 34.83 35.89 1nu9 s MET 106 CO 0.08 -0.28 0.44 0.21 -0.01 0.00 0.00 175.02 175.46 1nu9 s LYS 107 N 1.85 4.30 0.32 2.03 2.20 -0.09 -1.13 119.74 129.21 1nu9 s LYS 107 Ca 0.03 0.36 -0.25 0.00 -0.36 0.00 0.00 55.97 55.75 1nu9 s LYS 107 Cb -0.12 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1nu9 s LYS 107 CO -0.04 0.12 0.91 -0.51 -0.36 0.00 0.00 175.35 175.47 1nu9 s LEU 108 N 0.78 4.31 0.39 5.43 1.43 0.00 -0.12 118.68 130.90 1nu9 s LEU 108 Ca 0.23 1.77 0.06 0.00 -1.03 0.00 0.00 54.13 55.16 1nu9 s LEU 108 Cb -0.15 -4.00 0.79 0.00 0.03 0.00 0.00 46.19 42.87 1nu9 s LEU 108 CO 0.09 -0.08 2.03 0.50 0.23 0.00 0.00 176.35 179.13 1nu9 h LYS 109 N 3.11 0.60 -5.30 1.70 3.11 -1.69 -3.42 116.57 114.67 1nu9 h LYS 109 Ca -0.47 -0.04 -0.40 0.00 -2.81 0.00 0.00 60.65 56.93 1nu9 h LYS 109 Cb 1.19 -0.13 -0.19 0.00 -1.00 0.00 0.00 32.23 32.10 1nu9 h LYS 109 CO 0.65 0.42 -0.76 0.15 -2.81 0.00 0.00 179.45 177.09 1nu9 s LYS 110 N -5.49 0.91 0.32 1.90 1.02 -1.26 -4.99 119.74 112.15 1nu9 s LYS 110 Ca -0.09 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 54.52 1nu9 s LYS 110 Cb 0.17 -0.80 -0.09 0.00 -0.52 0.00 0.00 37.83 36.59 1nu9 s LYS 110 CO 0.74 0.16 1.02 -1.25 -0.92 0.00 0.00 175.35 175.10 1nu9 s PRO 111 N -2.33 4.52 0.19 -1.68 0.04 -1.26 -4.81 135.00 129.68 1nu9 s PRO 111 Ca 0.04 1.55 -0.09 0.00 0.04 0.00 0.00 61.00 62.54 1nu9 s PRO 111 Cb -0.06 -2.92 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 1nu9 s PRO 111 CO 0.02 0.17 0.50 0.14 0.04 0.00 0.00 177.00 177.88 1nu9 s VAL 112 N -1.42 4.98 0.25 -0.36 -7.23 0.15 -4.98 120.40 111.78 1nu9 s VAL 112 Ca 0.49 0.43 -0.24 0.00 -1.81 0.00 0.00 61.98 60.86 1nu9 s VAL 112 Cb -0.25 -3.63 -0.09 0.00 0.56 0.00 0.00 36.38 32.97 1nu9 s VAL 112 CO 0.31 0.02 0.82 0.00 -0.31 0.00 0.00 175.10 175.94 1nu9 s ALA 113 N -1.71 3.35 0.60 1.32 0.00 -1.26 -4.74 121.76 119.32 1nu9 s ALA 113 Ca 0.44 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 52.65 1nu9 s ALA 113 Cb -0.12 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1nu9 s ALA 113 CO 0.21 0.26 0.98 -0.06 0.00 0.00 0.00 175.76 177.16 1nu9 s PHE 114 N -1.47 3.54 0.00 0.00 0.08 -1.26 -4.91 117.98 113.96 1nu9 s PHE 114 Ca 0.44 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.60 1nu9 s PHE 114 Cb -0.19 -2.70 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1nu9 s PHE 114 CO 0.24 -0.70 0.00 -1.13 -0.10 0.00 0.00 175.22 173.53 1nu9 n SER 115 N -2.68 0.00 0.20 1.36 3.41 -0.71 -4.96 113.62 110.24 1nu9 n SER 115 Ca 0.05 -0.98 0.15 0.00 -0.26 0.00 0.00 58.87 57.82 1nu9 n SER 115 Cb 0.55 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.13 1nu9 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1nu9 h ASP 116 N 0.00 0.00 -0.00 4.04 3.32 -1.97 -3.11 116.42 118.69 1nu9 h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nu9 h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nu9 h ASP 116 CO 0.00 0.00 -0.53 -1.22 -1.72 0.00 0.00 179.24 175.77 1nu9 n TYR 117 N -2.61 0.00 -3.77 4.55 4.01 -1.26 -4.37 117.16 113.71 1nu9 n TYR 117 Ca 0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.47 1nu9 n TYR 117 Cb 0.22 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1nu9 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1nu9 s ILE 118 N -2.08 0.73 -0.14 -0.72 1.01 -1.18 -4.18 121.20 114.64 1nu9 s ILE 118 Ca 0.07 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1nu9 s ILE 118 Cb 0.10 -1.20 0.04 0.00 0.01 0.00 0.00 42.46 41.41 1nu9 s ILE 118 CO 0.48 -0.20 0.37 -2.28 0.00 0.00 0.00 174.94 173.31 1nu9 s HIS 119 N 1.76 -0.40 0.51 3.97 2.46 -0.56 -1.73 115.29 121.30 1nu9 s HIS 119 Ca -0.02 0.98 -0.19 0.00 0.47 0.00 0.00 55.06 56.31 1nu9 s HIS 119 Cb -0.17 0.14 -0.07 0.00 -0.13 0.00 0.00 32.58 32.34 1nu9 s HIS 119 CO -0.08 -0.20 1.05 -1.25 -2.47 0.00 0.00 174.74 171.80 1nu9 s PRO 120 N 0.22 3.65 0.44 2.88 0.04 -1.26 -2.72 135.00 138.25 1nu9 s PRO 120 Ca -0.00 1.36 0.01 0.00 0.04 0.00 0.00 61.00 62.41 1nu9 s PRO 120 Cb -0.03 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.44 1nu9 s PRO 120 CO 0.00 -0.56 0.65 0.54 0.04 0.00 0.00 177.00 177.67 1nu9 s VAL 121 N -2.05 3.94 0.21 -0.36 0.11 -0.86 -1.37 120.40 120.02 1nu9 s VAL 121 Ca 0.67 -0.58 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 1nu9 s VAL 121 Cb -0.17 -3.45 -0.05 0.00 -1.53 0.00 0.00 36.38 31.18 1nu9 s VAL 121 CO 0.24 -0.29 0.43 0.00 -3.33 0.00 0.00 175.10 172.15 1nu9 s LEU 123 N -3.15 4.13 0.69 0.00 1.43 -1.26 -0.16 118.68 120.36 1nu9 s LEU 123 Ca 0.41 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 1nu9 s LEU 123 Cb -0.11 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.80 1nu9 s LEU 123 CO 0.27 0.30 1.07 -2.16 0.23 0.00 0.00 176.35 176.07 1nu9 s PRO 124 N -1.60 3.04 0.51 1.29 0.04 -1.26 -4.90 135.00 132.12 1nu9 s PRO 124 Ca 0.22 0.61 0.06 0.00 0.04 0.00 0.00 61.00 61.93 1nu9 s PRO 124 Cb -0.12 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1nu9 s PRO 124 CO 0.13 -0.94 0.41 0.16 0.04 0.00 0.00 177.00 176.79 1nu9 s ASP 125 N -4.22 4.73 0.25 6.66 3.84 -1.26 -4.77 116.67 121.90 1nu9 s ASP 125 Ca 0.57 -1.11 -0.07 0.00 -0.00 0.00 0.00 52.55 51.94 1nu9 s ASP 125 Cb -0.12 0.15 0.44 0.00 -1.38 0.00 0.00 42.92 42.01 1nu9 s ASP 125 CO 0.53 -0.99 1.61 -0.09 -0.00 0.00 0.00 175.17 176.23 1nu9 h ARG 126 N 0.82 0.04 0.03 2.11 2.43 -1.98 -2.58 114.38 115.24 1nu9 h ARG 126 Ca -0.38 -0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.53 1nu9 h ARG 126 Cb 1.29 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1nu9 h ARG 126 CO 0.57 0.03 -1.07 1.49 -1.51 0.00 0.00 179.97 179.48 1nu9 h GLU 127 N 0.04 0.63 -0.52 0.20 4.57 -2.04 -1.95 114.58 115.51 1nu9 h GLU 127 Ca 0.43 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 1nu9 h GLU 127 Cb 0.73 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1nu9 h GLU 127 CO -0.77 1.30 0.00 2.41 -1.18 0.00 0.00 179.01 180.76 1nu9 n THR 128 N -3.81 0.00 0.00 0.32 -1.04 -0.97 0.11 114.28 108.89 1nu9 n THR 128 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1nu9 n THR 128 Cb 0.90 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 1nu9 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nu9 n ALA 129 N 0.57 0.00 0.07 2.41 0.00 -0.73 0.11 120.51 122.94 1nu9 n ALA 129 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1nu9 n ALA 129 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1nu9 n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nu9 h SER 129 N 0.00 0.55 0.60 0.00 4.64 -0.61 -3.38 113.55 115.35 1nu9 h SER 129 Ca 0.00 -0.83 -0.23 0.00 -0.47 0.00 0.00 61.79 60.27 1nu9 h SER 129 Cb 0.00 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1nu9 h SER 129 CO 0.00 1.70 -1.01 -0.07 -0.87 0.00 0.00 176.83 176.58 1nu9 h LEU 129 N 0.10 0.32 -6.86 5.97 4.07 -0.54 -3.39 115.31 114.98 1nu9 h LEU 129 Ca -0.32 -0.30 -0.73 0.00 0.08 0.00 0.00 57.88 56.61 1nu9 h LEU 129 Cb 2.08 -0.10 -0.13 0.00 1.08 0.00 0.00 40.66 43.59 1nu9 h LEU 129 CO 0.17 1.15 2.08 0.18 -1.08 0.00 0.00 178.44 180.94 1nu9 n LEU 130 N -3.60 6.12 -4.32 1.67 4.77 -1.26 -4.86 117.00 115.52 1nu9 n LEU 130 Ca -0.05 -4.42 -0.29 0.00 -0.03 0.00 0.00 56.01 51.22 1nu9 n LEU 130 Cb 0.89 -1.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.25 1nu9 n LEU 130 CO 0.50 1.01 -0.56 -1.10 -1.33 0.00 0.00 177.39 175.92 1nu9 s GLN 131 N 1.66 1.75 0.24 3.23 -0.21 -1.26 -4.93 119.66 120.14 1nu9 s GLN 131 Ca 0.43 -1.04 -0.30 0.00 0.02 0.00 0.00 55.36 54.48 1nu9 s GLN 131 Cb 0.07 -1.88 -0.15 0.00 1.00 0.00 0.00 33.01 32.05 1nu9 s GLN 131 CO -0.00 0.49 1.00 0.00 -2.12 0.00 0.00 175.29 174.65 1nu9 n ALA 132 N 1.91 -0.74 0.00 6.09 0.00 -1.26 -1.30 120.51 125.20 1nu9 n ALA 132 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1nu9 n ALA 132 Cb 0.52 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1nu9 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nu9 n GLY 133 N 1.56 2.52 3.77 0.00 0.00 0.46 -4.92 105.19 108.57 1nu9 n GLY 133 Ca 0.12 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1nu9 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nu9 s TYR 134 N -1.15 2.82 -0.02 1.61 1.51 -0.42 -4.56 117.35 117.14 1nu9 s TYR 134 Ca 0.00 1.32 -0.01 0.00 -1.01 0.00 0.00 57.07 57.37 1nu9 s TYR 134 Cb 0.00 -3.82 -0.04 0.00 -0.11 0.00 0.00 41.96 37.99 1nu9 s TYR 134 CO 0.00 -2.36 0.07 0.15 -1.11 0.00 0.00 175.55 172.30 1nu9 s LYS 135 N -1.99 3.06 0.49 -0.62 1.02 -1.26 0.31 119.74 120.75 1nu9 s LYS 135 Ca 0.52 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.07 1nu9 s LYS 135 Cb -0.42 -2.86 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1nu9 s LYS 135 CO 0.57 0.66 0.07 0.20 -0.92 0.00 0.00 175.35 175.92 1nu9 s GLY 136 N -1.56 2.96 -0.02 -3.33 0.00 0.12 -4.86 107.32 100.64 1nu9 s GLY 136 Ca 0.21 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.50 1nu9 s GLY 136 CO 0.11 -2.05 -0.21 -1.60 0.00 0.00 0.00 173.10 169.35 1nu9 s ARG 137 N -3.79 1.69 -0.05 2.90 3.52 0.82 -0.75 118.95 123.29 1nu9 s ARG 137 Ca 0.09 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 55.02 1nu9 s ARG 137 Cb 0.01 -1.62 -0.01 0.00 -1.56 0.00 0.00 34.95 31.76 1nu9 s ARG 137 CO 0.07 0.44 -0.23 0.08 -0.81 0.00 0.00 175.30 174.84 1nu9 s VAL 138 N -0.47 1.89 0.11 7.11 1.01 -0.24 -0.33 120.40 129.48 1nu9 s VAL 138 Ca 0.07 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.13 1nu9 s VAL 138 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1nu9 s VAL 138 CO -0.01 0.53 -0.13 0.42 0.00 0.00 0.00 175.10 175.91 1nu9 s THR 139 N -0.20 1.21 0.00 3.92 -4.23 -1.24 -1.75 115.64 113.35 1nu9 s THR 139 Ca -0.01 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1nu9 s THR 139 Cb -0.12 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1nu9 s THR 139 CO 0.02 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1nu9 n GLY 140 N 0.70 1.38 1.16 3.99 0.00 -0.48 -4.54 105.19 107.39 1nu9 n GLY 140 Ca -0.17 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1nu9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1nu9 n TRP 141 N -0.55 1.04 -0.56 1.61 8.01 -1.26 -1.15 117.44 124.58 1nu9 n TRP 141 Ca 0.00 -0.62 -0.07 0.00 -1.31 0.00 0.00 57.50 55.50 1nu9 n TRP 141 Cb 0.00 -0.17 0.06 0.00 -2.01 0.00 0.00 31.31 29.19 1nu9 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1nu9 n GLY 142 N 0.68 -2.69 3.73 6.99 0.00 -1.26 -4.45 105.19 108.19 1nu9 n GLY 142 Ca 0.21 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1nu9 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nu9 n ASN 143 N -3.48 2.50 0.04 1.61 4.13 0.08 -4.42 115.26 115.71 1nu9 n ASN 143 Ca 0.04 0.98 0.13 0.00 1.68 0.00 0.00 54.58 57.40 1nu9 n ASN 143 Cb 0.14 -1.55 0.36 0.00 -1.54 0.00 0.00 39.78 37.19 1nu9 n ASN 143 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1nu9 n LEU 144 N -0.84 0.48 -3.52 3.41 4.77 0.20 -4.66 117.00 116.83 1nu9 n LEU 144 Ca 0.10 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1nu9 n LEU 144 Cb 0.44 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1nu9 n LEU 144 CO 0.54 -0.01 0.71 -0.75 -1.33 0.00 0.00 177.39 176.54 1nu9 s LYS 145 N -3.06 0.77 0.41 3.23 2.20 -1.26 -5.12 119.74 116.90 1nu9 s LYS 145 Ca 0.10 -0.21 -0.24 0.00 -0.36 0.00 0.00 55.97 55.27 1nu9 s LYS 145 Cb 0.16 0.36 -0.09 0.00 -1.51 0.00 0.00 37.83 36.75 1nu9 s LYS 145 CO 0.64 -0.32 1.07 -2.00 -0.36 0.00 0.00 175.35 174.38 1nu9 s GLU 146 N -2.74 4.10 0.31 4.03 2.12 -1.26 -4.86 118.70 120.41 1nu9 s GLU 146 Ca 0.04 1.55 0.09 0.00 0.36 0.00 0.00 54.97 57.01 1nu9 s GLU 146 Cb -0.01 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.82 1nu9 s GLU 146 CO -0.07 -0.20 0.11 0.95 -0.54 0.00 0.00 175.26 175.50 1nu9 s THR 147 N -1.64 3.27 0.26 -1.70 -4.23 -1.26 -5.03 115.64 105.30 1nu9 s THR 147 Ca 0.59 -1.73 0.20 0.00 -1.18 0.00 0.00 61.69 59.56 1nu9 s THR 147 Cb -0.23 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.80 1nu9 s THR 147 CO 0.29 -0.25 1.83 4.11 -0.54 0.00 0.00 174.62 180.06 1nu9 h TRP 148 N 1.64 0.00 -3.94 3.99 5.08 -1.98 -3.43 115.95 117.31 1nu9 h TRP 148 Ca -0.44 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.26 1nu9 h TRP 148 Cb 1.25 0.00 -0.23 0.00 -3.00 0.00 0.00 29.16 27.18 1nu9 h TRP 148 CO 0.63 0.31 -0.73 0.95 -1.28 0.00 0.00 178.44 178.32 1nu9 s THR 149 N -3.85 0.41 0.56 0.12 -4.23 -1.26 -5.01 115.64 102.38 1nu9 s THR 149 Ca -0.01 -0.81 0.26 0.00 -1.18 0.00 0.00 61.69 59.95 1nu9 s THR 149 Cb 0.12 -0.46 0.38 0.00 1.34 0.00 0.00 72.50 73.88 1nu9 s THR 149 CO 0.67 -0.27 2.02 0.00 -0.54 0.00 0.00 174.62 176.50 1nu9 h ALA 149 N 4.94 2.21 -0.08 3.99 0.00 -1.97 -1.07 119.26 127.29 1nu9 h ALA 149 Ca -0.33 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1nu9 h ALA 149 Cb 1.20 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1nu9 h ALA 149 CO 0.43 -0.51 -0.47 -0.91 0.00 0.00 0.00 179.25 177.79 1nu9 h ASN 149 N 0.00 0.20 -1.22 0.00 4.21 -1.96 -3.16 115.58 113.65 1nu9 h ASN 149 Ca 0.18 -0.09 0.42 0.00 1.21 0.00 0.00 56.30 58.02 1nu9 h ASN 149 Cb 0.81 -0.06 -0.14 0.00 -1.12 0.00 0.00 38.32 37.81 1nu9 h ASN 149 CO -0.00 0.64 0.75 0.58 -1.29 0.00 0.00 177.43 178.11 1nu9 h VAL 149 N 0.15 0.10 0.00 2.81 2.07 -1.59 -3.46 116.25 116.34 1nu9 h VAL 149 Ca 0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1nu9 h VAL 149 Cb 0.89 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1nu9 h VAL 149 CO 0.07 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1nu9 n GLY 149 N -1.43 -0.48 3.39 2.17 0.00 -1.20 -4.99 105.19 102.65 1nu9 n GLY 149 Ca 0.37 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1nu9 n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu9 s LYS 149 N 0.00 3.53 -0.71 1.61 1.02 -1.26 -4.90 119.74 119.02 1nu9 s LYS 149 Ca 0.00 -0.56 -0.17 0.00 0.02 0.00 0.00 55.97 55.27 1nu9 s LYS 149 Cb 0.00 -3.10 0.15 0.00 -0.52 0.00 0.00 37.83 34.36 1nu9 s LYS 149 CO 0.00 -0.11 0.74 0.20 -0.92 0.00 0.00 175.35 175.26 1nu9 s GLY 150 N 1.32 2.17 0.09 -3.33 0.00 -1.26 -5.04 107.32 101.27 1nu9 s GLY 150 Ca 0.04 -2.75 0.04 0.00 0.00 0.00 0.00 44.72 42.05 1nu9 s GLY 150 CO 0.00 1.45 0.01 1.20 0.00 0.00 0.00 173.10 175.76 1nu9 s GLN 151 N 1.58 2.59 0.62 2.90 -0.21 -1.26 -0.63 119.66 125.25 1nu9 s GLN 151 Ca 0.15 -0.81 -0.08 0.00 0.02 0.00 0.00 55.36 54.64 1nu9 s GLN 151 Cb -0.18 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.27 1nu9 s GLN 151 CO -0.02 0.55 0.95 -1.25 -2.12 0.00 0.00 175.29 173.40 1nu9 s PRO 152 N -2.29 2.97 -0.07 2.91 0.04 -1.26 -5.00 135.00 132.30 1nu9 s PRO 152 Ca 0.26 0.17 0.20 0.00 0.04 0.00 0.00 61.00 61.67 1nu9 s PRO 152 Cb -0.12 -2.20 -0.28 0.00 0.04 0.00 0.00 34.50 31.94 1nu9 s PRO 152 CO 0.18 -0.76 0.39 -1.13 0.04 0.00 0.00 177.00 175.73 1nu9 n SER 153 N -2.69 0.10 -4.45 6.66 3.41 -1.26 -4.80 113.62 110.59 1nu9 n SER 153 Ca 0.05 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.40 1nu9 n SER 153 Cb 0.57 1.48 -0.13 0.00 -0.26 0.00 0.00 64.21 65.87 1nu9 n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nu9 s VAL 154 N -3.13 2.71 0.10 -3.33 1.01 -1.26 -0.04 120.40 116.45 1nu9 s VAL 154 Ca -0.08 -1.28 -0.36 0.00 0.00 0.00 0.00 61.98 60.26 1nu9 s VAL 154 Cb 0.11 -2.15 -0.17 0.00 0.00 0.00 0.00 36.38 34.17 1nu9 s VAL 154 CO 0.87 0.29 1.28 -0.11 0.00 0.00 0.00 175.10 177.44 1nu9 n LEU 155 N 1.43 1.50 -4.85 3.92 7.94 -0.93 -4.78 117.00 121.24 1nu9 n LEU 155 Ca -0.16 1.13 -0.30 0.00 -1.11 0.00 0.00 56.01 55.56 1nu9 n LEU 155 Cb 0.52 -1.18 -0.05 0.00 0.53 0.00 0.00 43.42 43.24 1nu9 n LEU 155 CO 0.26 -1.17 -0.20 -1.10 -1.11 0.00 0.00 177.39 174.08 1nu9 s GLN 156 N 0.26 3.17 0.04 1.96 -1.52 -0.30 -0.37 119.66 122.90 1nu9 s GLN 156 Ca 0.82 -0.58 0.04 0.00 -1.95 0.00 0.00 55.36 53.70 1nu9 s GLN 156 Cb -0.95 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 28.94 1nu9 s GLN 156 CO 0.49 0.58 -0.13 0.08 -0.25 0.00 0.00 175.29 176.06 1nu9 s VAL 157 N -1.48 0.98 -0.18 1.09 1.01 0.39 -1.38 120.40 120.82 1nu9 s VAL 157 Ca 0.32 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1nu9 s VAL 157 Cb -0.12 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.40 1nu9 s VAL 157 CO 0.25 -0.07 0.48 0.54 0.00 0.00 0.00 175.10 176.30 1nu9 s VAL 158 N -0.92 -0.00 -0.09 2.92 0.11 -0.72 -4.69 120.40 117.01 1nu9 s VAL 158 Ca -0.00 0.01 -0.02 0.00 -2.93 0.00 0.00 61.98 59.04 1nu9 s VAL 158 Cb -0.08 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1nu9 s VAL 158 CO 0.01 0.00 -0.00 0.20 -3.33 0.00 0.00 175.10 171.98 1nu9 s ASN 159 N 0.39 5.19 0.03 3.54 0.01 -1.26 -1.08 114.94 121.77 1nu9 s ASN 159 Ca -0.01 0.12 -0.04 0.00 -0.71 0.00 0.00 52.86 52.23 1nu9 s ASN 159 Cb -0.04 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.13 1nu9 s ASN 159 CO -0.01 0.37 0.05 -0.76 -1.51 0.00 0.00 177.10 175.24 1nu9 s LEU 160 N -0.81 1.99 0.14 0.60 1.43 0.07 -4.94 118.68 117.16 1nu9 s LEU 160 Ca 0.12 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 1nu9 s LEU 160 Cb -0.11 0.42 -0.07 0.00 0.03 0.00 0.00 46.19 46.46 1nu9 s LEU 160 CO 0.02 -0.46 0.57 -2.16 0.23 0.00 0.00 176.35 174.56 1nu9 s PRO 161 N -2.40 4.04 0.30 1.29 0.04 -1.26 0.13 135.00 137.14 1nu9 s PRO 161 Ca -0.07 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.25 1nu9 s PRO 161 Cb -0.03 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.44 1nu9 s PRO 161 CO -0.04 0.50 1.16 0.42 0.04 0.00 0.00 177.00 179.07 1nu9 s ILE 162 N -1.41 3.27 0.17 0.56 1.01 0.15 -1.27 121.20 123.67 1nu9 s ILE 162 Ca 0.37 1.27 0.07 0.00 0.00 0.00 0.00 60.65 62.36 1nu9 s ILE 162 Cb -0.16 -3.80 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1nu9 s ILE 162 CO 0.19 0.29 -0.00 0.68 0.00 0.00 0.00 174.94 176.10 1nu9 s VAL 163 N -1.17 3.73 0.36 2.92 -7.23 -0.92 -0.40 120.40 117.68 1nu9 s VAL 163 Ca 0.46 -1.39 -0.28 0.00 -1.81 0.00 0.00 61.98 58.96 1nu9 s VAL 163 Cb -0.34 -2.86 -0.11 0.00 0.56 0.00 0.00 36.38 33.63 1nu9 s VAL 163 CO 0.44 -0.09 1.49 -1.83 -0.31 0.00 0.00 175.10 174.80 1nu9 s GLU 164 N -2.88 4.12 0.27 4.82 1.03 -1.26 -4.67 118.70 120.12 1nu9 s GLU 164 Ca 0.27 2.56 -0.00 0.00 0.03 0.00 0.00 54.97 57.83 1nu9 s GLU 164 Cb -0.09 -2.98 0.60 0.00 -0.80 0.00 0.00 34.13 30.85 1nu9 s GLU 164 CO 0.18 -0.53 1.71 0.00 -1.33 0.00 0.00 175.26 175.30 1nu9 h ARG 165 N 3.24 0.42 -0.29 -4.83 3.08 -1.98 0.40 114.38 114.41 1nu9 h ARG 165 Ca -0.50 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.56 1nu9 h ARG 165 Cb 1.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 1nu9 h ARG 165 CO 0.66 0.28 0.20 -1.35 -1.07 0.00 0.00 179.97 178.69 1nu9 h PRO 166 N 0.43 0.25 -0.03 0.04 0.11 -1.99 0.12 132.00 130.93 1nu9 h PRO 166 Ca 0.49 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 66.33 1nu9 h PRO 166 Cb 0.84 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 31.91 1nu9 h PRO 166 CO -0.47 0.16 -0.99 0.28 -0.21 0.00 0.00 178.00 176.78 1nu9 h VAL 167 N 0.26 1.28 -0.21 3.15 2.07 -1.30 -1.51 116.25 119.99 1nu9 h VAL 167 Ca 0.12 -2.20 0.01 0.00 0.82 0.00 0.00 66.70 65.46 1nu9 h VAL 167 Cb 0.17 2.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1nu9 h VAL 167 CO -0.02 0.68 0.10 0.00 0.02 0.00 0.00 177.57 178.35 1nu9 h LYS 169 N 0.22 0.96 0.00 0.00 3.64 -0.79 -2.51 116.57 118.08 1nu9 h LYS 169 Ca 0.08 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1nu9 h LYS 169 Cb 0.02 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1nu9 h LYS 169 CO -0.05 0.72 0.00 -0.25 -2.27 0.00 0.00 179.45 177.60 1nu9 n ASP 170 N -4.50 0.80 0.16 4.20 10.43 -0.57 -3.36 116.55 123.70 1nu9 n ASP 170 Ca 0.06 0.61 0.13 0.00 2.57 0.00 0.00 54.79 58.16 1nu9 n ASP 170 Cb 0.09 -0.81 0.34 0.00 1.84 0.00 0.00 41.12 42.58 1nu9 n ASP 170 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 1nu9 h SER 171 N 0.00 0.00 -5.15 -2.24 4.64 -0.69 -3.46 113.55 106.64 1nu9 h SER 171 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1nu9 h SER 171 Cb 0.62 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.54 1nu9 h SER 171 CO 0.00 0.00 -0.67 0.28 -0.87 0.00 0.00 176.83 175.57 1nu9 s THR 172 N -3.18 0.18 -1.51 2.95 -1.32 -1.21 -4.84 115.64 106.71 1nu9 s THR 172 Ca 0.08 -1.49 0.25 0.00 -1.21 0.00 0.00 61.69 59.33 1nu9 s THR 172 Cb 0.09 -1.10 0.08 0.00 -1.51 0.00 0.00 72.50 70.06 1nu9 s THR 172 CO 0.61 -0.82 1.35 0.54 -2.21 0.00 0.00 174.62 174.09 1nu9 n ARG 173 N 0.59 0.58 -2.40 7.08 1.74 -1.26 -4.86 116.66 118.13 1nu9 n ARG 173 Ca -0.17 -0.39 -0.40 0.00 -0.77 0.00 0.00 57.85 56.11 1nu9 n ARG 173 Cb 0.59 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1nu9 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1nu9 s ILE 174 N -2.69 3.34 -0.37 0.55 1.01 -1.26 -4.94 121.20 116.83 1nu9 s ILE 174 Ca 0.18 1.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.88 1nu9 s ILE 174 Cb 0.18 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1nu9 s ILE 174 CO 0.62 0.31 1.49 -0.60 0.00 0.00 0.00 174.94 176.76 1nu9 s ARG 175 N -1.45 3.57 0.35 2.79 3.52 -1.26 -5.00 118.95 121.47 1nu9 s ARG 175 Ca 0.46 1.10 -0.07 0.00 -0.13 0.00 0.00 55.73 57.09 1nu9 s ARG 175 Cb -0.34 -4.04 -0.06 0.00 -1.56 0.00 0.00 34.95 28.95 1nu9 s ARG 175 CO 0.43 -1.56 0.66 0.96 -0.81 0.00 0.00 175.30 174.98 1nu9 s ILE 176 N 5.59 4.92 0.43 4.11 -0.00 -1.26 -4.84 121.20 130.15 1nu9 s ILE 176 Ca 0.65 0.30 0.03 0.00 -0.00 0.00 0.00 60.65 61.63 1nu9 s ILE 176 Cb -0.16 -3.74 -0.04 0.00 -0.00 0.00 0.00 42.46 38.52 1nu9 s ILE 176 CO 0.32 -0.44 0.05 0.42 -0.00 0.00 0.00 174.94 175.28 1nu9 s THR 177 N -2.25 1.18 -1.41 8.37 -4.23 -1.26 -5.02 115.64 111.03 1nu9 s THR 177 Ca 0.47 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 1nu9 s THR 177 Cb -0.10 -2.48 0.30 0.00 1.34 0.00 0.00 72.50 71.55 1nu9 s THR 177 CO 0.31 0.00 1.53 0.47 -0.54 0.00 0.00 174.62 176.40 1nu9 n ASP 178 N -1.12 0.00 -0.85 3.99 8.00 -1.26 -2.21 116.55 123.10 1nu9 n ASP 178 Ca -0.10 0.06 0.06 0.00 0.71 0.00 0.00 54.79 55.52 1nu9 n ASP 178 Cb 0.66 -0.30 0.19 0.00 -0.02 0.00 0.00 41.12 41.66 1nu9 n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nu9 n ASN 179 N -1.30 2.47 -4.29 -2.24 3.02 -1.26 -4.88 115.26 106.78 1nu9 n ASN 179 Ca 0.08 -2.10 -0.15 0.00 -0.03 0.00 0.00 54.58 52.38 1nu9 n ASN 179 Cb 0.14 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 38.87 1nu9 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nu9 s MET 180 N -1.55 1.26 0.06 3.52 -1.94 -0.94 -0.46 119.30 119.26 1nu9 s MET 180 Ca 0.28 -1.64 -0.18 0.00 -1.71 0.00 0.00 55.69 52.44 1nu9 s MET 180 Cb 0.16 -0.36 0.04 0.00 2.01 0.00 0.00 34.83 36.67 1nu9 s MET 180 CO 0.17 -0.17 0.42 -0.59 -0.01 0.00 0.00 175.02 174.83 1nu9 s PHE 181 N -3.62 -0.26 0.28 -0.03 -0.12 -0.73 -4.78 117.98 108.71 1nu9 s PHE 181 Ca 0.29 0.16 0.12 0.00 -0.05 0.00 0.00 56.93 57.45 1nu9 s PHE 181 Cb 0.06 0.24 -0.05 0.00 -0.63 0.00 0.00 43.02 42.64 1nu9 s PHE 181 CO 0.08 -0.61 -0.18 0.00 -0.05 0.00 0.00 175.22 174.46 1nu9 s ALA 183 N -2.48 -0.38 0.00 0.00 0.00 -0.58 -2.17 121.76 116.14 1nu9 s ALA 183 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1nu9 s ALA 183 Cb -0.05 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.14 1nu9 s ALA 183 CO 0.16 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1nu9 n GLY 184 N 1.58 3.28 3.85 0.00 0.00 -0.40 -2.34 105.19 111.16 1nu9 n GLY 184 Ca -0.22 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1nu9 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nu9 s TYR 184 N -2.00 3.39 0.50 1.61 2.02 -1.26 -4.53 117.35 117.07 1nu9 s TYR 184 Ca 0.00 1.27 -0.06 0.00 -0.37 0.00 0.00 57.07 57.91 1nu9 s TYR 184 Cb 0.00 -2.59 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1nu9 s TYR 184 CO 0.00 -0.02 0.81 0.15 -1.57 0.00 0.00 175.55 174.93 1nu9 s LYS 185 N -3.27 3.54 0.18 -0.62 1.02 -1.26 -4.79 119.74 114.53 1nu9 s LYS 185 Ca 0.55 0.26 -0.24 0.00 0.02 0.00 0.00 55.97 56.56 1nu9 s LYS 185 Cb -0.10 -2.34 0.08 0.00 -0.52 0.00 0.00 37.83 34.95 1nu9 s LYS 185 CO 0.20 -0.25 1.56 -1.35 -0.92 0.00 0.00 175.35 174.59 1nu9 h PRO 186 N 0.16 -0.14 -1.00 -1.68 0.11 -1.95 -0.76 132.00 126.73 1nu9 h PRO 186 Ca -0.47 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1nu9 h PRO 186 Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1nu9 h PRO 186 CO 0.62 -0.09 0.01 -0.40 -0.21 0.00 0.00 178.00 177.93 1nu9 n ASP 186 N -5.40 2.75 -0.00 -2.05 5.68 -1.26 -3.78 116.55 112.49 1nu9 n ASP 186 Ca 0.04 -2.04 0.07 0.00 -0.50 0.00 0.00 54.79 52.36 1nu9 n ASP 186 Cb 0.35 -0.51 -0.08 0.00 -1.14 0.00 0.00 41.12 39.74 1nu9 n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nu9 n GLU 186 N 0.39 2.24 0.00 0.11 1.02 -0.29 -5.02 120.64 119.09 1nu9 n GLU 186 Ca 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1nu9 n GLU 186 Cb 0.49 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1nu9 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nu9 n GLY 186 N 1.35 1.39 3.74 0.62 0.00 -1.25 -4.94 105.19 106.10 1nu9 n GLY 186 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1nu9 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu9 s LYS 186 N 0.00 1.83 0.22 1.61 1.02 -1.26 -5.05 119.74 118.11 1nu9 s LYS 186 Ca 0.00 1.22 0.03 0.00 0.02 0.00 0.00 55.97 57.24 1nu9 s LYS 186 Cb 0.00 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.45 1nu9 s LYS 186 CO 0.00 -1.96 0.11 0.54 -0.92 0.00 0.00 175.35 173.12 1nu9 n ARG 187 N -3.75 0.57 0.00 1.68 1.74 -1.26 -4.77 116.66 110.87 1nu9 n ARG 187 Ca 0.09 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.17 1nu9 n ARG 187 Cb 0.53 1.26 0.00 0.00 -1.02 0.00 0.00 32.46 33.23 1nu9 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nu9 n GLY 188 N 0.21 4.25 3.60 -0.13 0.00 -1.26 -4.92 105.19 106.93 1nu9 n GLY 188 Ca -0.01 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 44.64 1nu9 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nu9 s ASP 189 N 0.00 -0.05 0.72 1.61 2.15 -1.26 -4.66 116.67 115.18 1nu9 s ASP 189 Ca 0.00 -0.08 -0.04 0.00 0.43 0.00 0.00 52.55 52.86 1nu9 s ASP 189 Cb 0.00 0.11 0.10 0.00 -0.30 0.00 0.00 42.92 42.83 1nu9 s ASP 189 CO 0.00 -0.20 1.00 0.00 -0.17 0.00 0.00 175.17 175.81 1nu9 s ALA 190 N -2.29 3.39 0.17 3.66 0.00 -1.26 -4.93 121.76 120.51 1nu9 s ALA 190 Ca 0.14 -1.36 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 1nu9 s ALA 190 Cb 0.05 -2.29 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1nu9 s ALA 190 CO -0.05 -1.41 0.34 0.00 0.00 0.00 0.00 175.76 174.64 1nu9 n GLU 192 N -0.24 1.34 0.00 0.00 2.13 -1.26 -0.98 120.64 121.63 1nu9 n GLU 192 Ca -0.03 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1nu9 n GLU 192 Cb 0.27 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 29.98 1nu9 n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nu9 n GLY 193 N 1.97 2.98 0.11 8.31 0.00 -1.26 -0.74 105.19 116.56 1nu9 n GLY 193 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1nu9 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nu9 h ASP 194 N 0.00 0.00 -0.86 1.61 3.45 -1.37 -3.28 116.42 115.96 1nu9 h ASP 194 Ca 0.00 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.86 1nu9 h ASP 194 Cb 0.00 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 38.85 1nu9 h ASP 194 CO 0.00 0.62 -0.32 -1.20 -1.57 0.00 0.00 179.24 176.77 1nu9 n SER 195 N -3.17 -0.79 0.00 6.45 7.64 -1.26 -0.58 113.62 121.91 1nu9 n SER 195 Ca -0.01 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1nu9 n SER 195 Cb 0.80 -0.81 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1nu9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nu9 n GLY 196 N 1.60 2.84 3.79 0.23 0.00 -0.30 -0.96 105.19 112.39 1nu9 n GLY 196 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1nu9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nu9 s GLY 197 N -2.16 1.83 0.27 -0.02 0.00 0.25 -2.73 107.32 104.75 1nu9 s GLY 197 Ca 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 44.72 44.83 1nu9 s GLY 197 CO 0.00 0.59 0.68 2.56 0.00 0.00 0.00 173.10 176.93 1nu9 s PRO 198 N -4.68 4.02 -0.35 2.90 0.04 -1.26 -1.03 135.00 134.63 1nu9 s PRO 198 Ca 0.61 0.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.22 1nu9 s PRO 198 Cb -0.16 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.82 1nu9 s PRO 198 CO 0.50 0.27 0.12 0.12 0.04 0.00 0.00 177.00 178.05 1nu9 s PHE 199 N -1.81 3.32 0.19 0.56 2.19 -0.64 -3.63 117.98 118.17 1nu9 s PHE 199 Ca 0.49 -1.68 0.06 0.00 0.33 0.00 0.00 56.93 56.13 1nu9 s PHE 199 Cb -0.12 -2.50 -0.04 0.00 -1.31 0.00 0.00 43.02 39.05 1nu9 s PHE 199 CO 0.19 -0.80 0.09 0.14 1.83 0.00 0.00 175.22 176.67 1nu9 s VAL 200 N 1.34 4.15 -0.01 3.12 -7.23 0.56 -1.20 120.40 121.12 1nu9 s VAL 200 Ca -0.00 -1.31 0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1nu9 s VAL 200 Cb -0.21 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.60 1nu9 s VAL 200 CO 0.01 -0.17 -0.02 -0.04 -0.31 0.00 0.00 175.10 174.57 1nu9 s MET 201 N -3.21 0.25 -0.18 4.82 -1.94 -0.12 -0.13 119.30 118.80 1nu9 s MET 201 Ca 0.30 -0.06 -0.19 0.00 -1.71 0.00 0.00 55.69 54.03 1nu9 s MET 201 Cb -0.09 -0.29 -0.03 0.00 2.01 0.00 0.00 34.83 36.43 1nu9 s MET 201 CO 0.22 0.01 0.55 0.21 -0.01 0.00 0.00 175.02 176.00 1nu9 s LYS 202 N 0.20 4.24 -0.09 2.03 2.20 -1.26 0.14 119.74 127.20 1nu9 s LYS 202 Ca -0.02 0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 55.82 1nu9 s LYS 202 Cb -0.04 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1nu9 s LYS 202 CO -0.01 -0.11 0.88 0.45 -0.36 0.00 0.00 175.35 176.21 1nu9 s SER 203 N 1.05 7.14 0.51 1.43 0.15 -0.11 -4.92 113.70 118.95 1nu9 s SER 203 Ca 0.26 1.39 0.30 0.00 0.70 0.00 0.00 55.95 58.60 1nu9 s SER 203 Cb -0.16 -2.50 1.12 0.00 -1.71 0.00 0.00 66.02 62.78 1nu9 s SER 203 CO 0.10 -0.31 1.90 1.55 1.20 0.00 0.00 173.24 177.68 1nu9 h PRO 204 N 7.01 0.00 -0.49 5.44 0.13 -1.96 0.21 132.00 142.33 1nu9 h PRO 204 Ca -0.35 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.65 1nu9 h PRO 204 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1nu9 h PRO 204 CO 0.80 0.04 -0.21 0.35 -0.23 0.00 0.00 178.00 178.75 1nu9 h PHE 204 N 0.00 1.14 0.00 1.56 3.57 -1.97 -3.38 116.94 117.86 1nu9 h PHE 204 Ca -0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1nu9 h PHE 204 Cb 0.63 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1nu9 h PHE 204 CO 0.00 1.10 0.00 0.27 -2.23 0.00 0.00 178.31 177.45 1nu9 n ASN 204 N -4.11 0.45 -0.79 0.41 0.23 -1.20 -5.03 115.26 105.22 1nu9 n ASN 204 Ca 0.00 -1.20 -0.10 0.00 -0.53 0.00 0.00 54.58 52.75 1nu9 n ASN 204 Cb 0.45 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.11 1nu9 n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 1nu9 n ASN 205 N -0.10 -4.86 -4.86 0.53 5.15 0.72 -5.00 115.26 106.85 1nu9 n ASN 205 Ca 0.00 0.26 -0.31 0.00 -0.60 0.00 0.00 54.58 53.92 1nu9 n ASN 205 Cb 0.38 -3.27 -0.05 0.00 -0.53 0.00 0.00 39.78 36.32 1nu9 n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1nu9 s ARG 206 N -2.70 3.22 -0.03 1.20 0.52 -1.25 -4.81 118.95 115.10 1nu9 s ARG 206 Ca 0.00 -0.52 -0.23 0.00 -0.52 0.00 0.00 55.73 54.46 1nu9 s ARG 206 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.50 1nu9 s ARG 206 CO 0.00 0.60 0.68 -1.58 0.02 0.00 0.00 175.30 175.03 1nu9 s TRP 207 N -1.43 3.64 -0.06 -0.53 0.52 -0.67 -0.94 118.94 119.48 1nu9 s TRP 207 Ca 0.31 1.28 0.06 0.00 0.02 0.00 0.00 56.10 57.77 1nu9 s TRP 207 Cb -0.13 -2.75 -0.01 0.00 -1.15 0.00 0.00 33.47 29.43 1nu9 s TRP 207 CO 0.24 0.20 -0.24 0.71 0.02 0.00 0.00 176.95 177.88 1nu9 s TYR 208 N 0.34 2.47 -0.59 -1.98 1.51 0.12 -2.00 117.35 117.22 1nu9 s TYR 208 Ca 0.36 -0.72 -0.23 0.00 -1.01 0.00 0.00 57.07 55.46 1nu9 s TYR 208 Cb -0.18 -1.61 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 1nu9 s TYR 208 CO 0.19 -0.22 0.93 -1.14 -1.11 0.00 0.00 175.55 174.20 1nu9 s GLN 209 N -0.14 3.24 0.22 -0.62 0.74 0.77 -0.94 119.66 122.93 1nu9 s GLN 209 Ca -0.04 -0.50 0.19 0.00 0.05 0.00 0.00 55.36 55.05 1nu9 s GLN 209 Cb -0.14 -4.12 0.03 0.00 1.10 0.00 0.00 33.01 29.89 1nu9 s GLN 209 CO 0.04 -1.58 1.19 0.52 -0.55 0.00 0.00 175.29 174.90 1nu9 h MET 210 N 9.38 0.00 -3.78 1.67 2.86 -1.48 -3.38 114.93 120.21 1nu9 h MET 210 Ca -0.27 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 1nu9 h MET 210 Cb 1.07 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.66 1nu9 h MET 210 CO 1.11 0.23 -0.11 0.20 1.06 0.00 0.00 176.91 179.40 1nu9 s GLY 211 N -4.50 0.91 -0.06 8.32 0.00 -0.91 -1.80 107.32 109.28 1nu9 s GLY 211 Ca 0.01 -1.14 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1nu9 s GLY 211 CO 0.76 -0.76 -0.05 -0.42 0.00 0.00 0.00 173.10 172.64 1nu9 s ILE 212 N -3.43 0.66 -0.02 0.90 1.01 -0.87 -1.62 121.20 117.82 1nu9 s ILE 212 Ca 0.25 -0.15 -0.34 0.00 0.00 0.00 0.00 60.65 60.41 1nu9 s ILE 212 Cb -0.01 -0.69 -0.12 0.00 0.01 0.00 0.00 42.46 41.64 1nu9 s ILE 212 CO 0.14 0.27 1.79 0.52 0.00 0.00 0.00 174.94 177.66 1nu9 n VAL 213 N 4.37 0.42 0.03 2.92 0.31 -0.20 -0.42 118.33 125.77 1nu9 n VAL 213 Ca -0.19 -0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1nu9 n VAL 213 Cb 0.51 -1.77 -0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1nu9 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nu9 n SER 214 N 5.73 0.85 -3.20 4.52 2.88 -0.62 -1.15 113.62 122.64 1nu9 n SER 214 Ca 0.21 0.11 -0.11 0.00 -1.33 0.00 0.00 58.87 57.75 1nu9 n SER 214 Cb 0.29 -0.27 -0.01 0.00 -0.75 0.00 0.00 64.21 63.47 1nu9 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nu9 s TRP 215 N -1.77 0.45 0.00 0.66 1.48 -1.03 -4.90 118.94 113.83 1nu9 s TRP 215 Ca -0.01 -0.93 0.00 0.00 -1.06 0.00 0.00 56.10 54.10 1nu9 s TRP 215 Cb 0.00 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.76 1nu9 s TRP 215 CO 0.02 -1.35 0.00 0.41 -4.06 0.00 0.00 176.95 171.97 1nu9 n GLY 216 N -0.52 -0.08 3.17 3.67 0.00 -1.26 0.06 105.19 110.23 1nu9 n GLY 216 Ca -0.04 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1nu9 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nu9 s GLU 217 N -2.00 2.54 2.69 1.61 2.02 -1.26 -4.97 118.70 119.32 1nu9 s GLU 217 Ca 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1nu9 s GLU 217 Cb 0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1nu9 s GLU 217 CO 0.00 -0.55 0.00 0.41 0.02 0.00 0.00 175.26 175.14 1nu9 n GLY 219 N 4.62 -0.49 3.08 -1.39 0.00 -1.26 -4.69 105.19 105.06 1nu9 n GLY 219 Ca -0.14 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 1nu9 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu9 n ASP 221 N 4.54 -5.67 -4.75 0.00 2.03 -1.26 -4.42 116.55 107.02 1nu9 n ASP 221 Ca -0.20 -0.02 -0.40 0.00 0.52 0.00 0.00 54.79 54.69 1nu9 n ASP 221 Cb 0.52 -4.71 -0.06 0.00 -0.72 0.00 0.00 41.12 36.15 1nu9 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1nu9 s ARG 221 N -5.13 4.77 0.25 -0.67 0.52 -1.26 -4.94 118.95 112.49 1nu9 s ARG 221 Ca 0.04 1.40 -0.31 0.00 -0.52 0.00 0.00 55.73 56.34 1nu9 s ARG 221 Cb -0.02 -3.28 -0.11 0.00 0.52 0.00 0.00 34.95 32.06 1nu9 s ARG 221 CO 0.05 0.51 1.59 -0.51 0.02 0.00 0.00 175.30 176.95 1nu9 s ASP 222 N -1.06 6.46 -0.06 0.23 1.01 -1.26 -1.88 116.67 120.10 1nu9 s ASP 222 Ca 0.40 2.83 0.00 0.00 0.71 0.00 0.00 52.55 56.49 1nu9 s ASP 222 Cb -0.25 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.06 1nu9 s ASP 222 CO 0.30 -0.87 0.00 0.61 0.21 0.00 0.00 175.17 175.42 1nu9 n GLY 223 N 2.75 0.48 3.27 0.21 0.00 -1.26 -5.01 105.19 105.62 1nu9 n GLY 223 Ca 0.10 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1nu9 n GLY 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nu9 s LYS 224 N -0.81 1.36 0.06 1.61 2.47 -0.79 -4.77 119.74 118.88 1nu9 s LYS 224 Ca 0.00 -1.01 0.04 0.00 -1.56 0.00 0.00 55.97 53.44 1nu9 s LYS 224 Cb 0.00 -1.52 -0.03 0.00 -1.46 0.00 0.00 37.83 34.83 1nu9 s LYS 224 CO 0.00 0.38 -0.12 0.71 0.16 0.00 0.00 175.35 176.48 1nu9 s TYR 225 N -0.88 1.05 0.33 4.03 2.02 -1.26 -4.70 117.35 117.95 1nu9 s TYR 225 Ca 0.08 -0.48 -0.26 0.00 -0.37 0.00 0.00 57.07 56.04 1nu9 s TYR 225 Cb -0.09 -0.60 -0.09 0.00 -0.40 0.00 0.00 41.96 40.77 1nu9 s TYR 225 CO 0.02 0.01 1.00 0.20 -1.57 0.00 0.00 175.55 175.22 1nu9 s GLY 226 N -1.71 2.84 -0.03 0.71 0.00 -0.99 -4.62 107.32 103.53 1nu9 s GLY 226 Ca -0.04 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.34 1nu9 s GLY 226 CO 0.02 1.11 -0.06 -1.36 0.00 0.00 0.00 173.10 172.81 1nu9 s PHE 227 N -1.53 2.93 0.05 1.90 0.40 0.11 -1.53 117.98 120.31 1nu9 s PHE 227 Ca 0.51 0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.91 1nu9 s PHE 227 Cb -0.22 -1.66 -0.03 0.00 0.51 0.00 0.00 43.02 41.62 1nu9 s PHE 227 CO 0.28 0.37 -0.17 0.71 0.70 0.00 0.00 175.22 177.10 1nu9 s TYR 228 N -0.92 1.50 -0.05 0.36 1.51 0.28 -1.58 117.35 118.45 1nu9 s TYR 228 Ca 0.15 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1nu9 s TYR 228 Cb -0.11 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1nu9 s TYR 228 CO 0.05 0.08 1.32 0.99 -1.11 0.00 0.00 175.55 176.88 1nu9 s THR 229 N -0.92 4.00 -0.62 -0.71 2.01 0.44 -1.78 115.64 118.06 1nu9 s THR 229 Ca 0.04 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.09 1nu9 s THR 229 Cb -0.09 -3.85 0.01 0.00 0.01 0.00 0.00 72.50 68.58 1nu9 s THR 229 CO 0.02 -0.03 1.54 -2.28 -0.69 0.00 0.00 174.62 173.18 1nu9 s HIS 230 N 2.64 2.05 0.19 4.92 2.46 0.39 -2.06 115.29 125.88 1nu9 s HIS 230 Ca 0.60 0.43 -0.12 0.00 0.47 0.00 0.00 55.06 56.44 1nu9 s HIS 230 Cb -0.27 -4.35 0.12 0.00 -0.13 0.00 0.00 32.58 27.95 1nu9 s HIS 230 CO 0.23 -2.16 1.84 0.28 -2.47 0.00 0.00 174.74 172.46 1nu9 h VAL 231 N 6.47 1.11 -0.72 0.89 2.07 -1.66 -2.93 116.25 121.48 1nu9 h VAL 231 Ca -0.27 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1nu9 h VAL 231 Cb 1.11 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1nu9 h VAL 231 CO 1.22 0.14 0.27 0.15 0.02 0.00 0.00 177.57 179.37 1nu9 h PHE 232 N 0.76 1.12 -0.05 1.57 3.57 -1.86 -2.18 116.94 119.87 1nu9 h PHE 232 Ca 0.23 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1nu9 h PHE 232 Cb -0.03 -0.33 -0.00 0.00 2.79 0.00 0.00 35.95 38.37 1nu9 h PHE 232 CO -0.04 0.87 0.11 0.00 -2.23 0.00 0.00 178.31 177.01 1nu9 h ARG 233 N 1.04 0.00 -0.16 1.11 2.47 -1.89 -1.96 114.38 115.00 1nu9 h ARG 233 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1nu9 h ARG 233 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1nu9 h ARG 233 CO -0.02 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.79 1nu9 n LEU 234 N -3.38 3.08 0.14 3.04 4.77 -0.86 -4.72 117.00 119.07 1nu9 n LEU 234 Ca -0.02 -2.83 -0.01 0.00 -0.03 0.00 0.00 56.01 53.12 1nu9 n LEU 234 Cb 0.20 -0.42 0.19 0.00 -2.33 0.00 0.00 43.42 41.05 1nu9 n LEU 234 CO 0.22 0.68 0.52 0.50 -1.33 0.00 0.00 177.39 177.98 1nu9 h LYS 235 N 1.05 0.00 -0.66 3.23 3.64 -0.94 -2.44 116.57 120.44 1nu9 h LYS 235 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1nu9 h LYS 235 Cb 1.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1nu9 h LYS 235 CO 0.10 0.59 0.12 0.87 -2.27 0.00 0.00 179.45 178.86 1nu9 h LYS 236 N 0.00 1.08 0.08 1.90 1.57 -1.84 0.33 116.57 119.68 1nu9 h LYS 236 Ca -0.01 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1nu9 h LYS 236 Cb 1.05 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1nu9 h LYS 236 CO 0.08 0.99 -0.04 2.35 -0.57 0.00 0.00 179.45 182.26 1nu9 h TRP 237 N 1.00 -0.09 -0.32 -1.35 7.01 -1.89 0.16 115.95 120.47 1nu9 h TRP 237 Ca 0.20 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.27 1nu9 h TRP 237 Cb 0.42 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.44 1nu9 h TRP 237 CO 0.03 0.02 -0.23 0.82 -2.79 0.00 0.00 178.44 176.29 1nu9 h ILE 238 N -0.19 0.39 -0.83 2.65 2.04 -1.13 -0.16 117.51 120.26 1nu9 h ILE 238 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nu9 h ILE 238 Cb 0.16 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1nu9 h ILE 238 CO 0.02 0.00 0.54 -0.61 0.00 0.00 0.00 178.15 178.10 1nu9 h GLN 239 N -0.20 1.11 -0.30 2.37 4.15 -0.69 -0.52 115.11 121.02 1nu9 h GLN 239 Ca 0.16 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1nu9 h GLN 239 Cb 0.45 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1nu9 h GLN 239 CO -0.43 0.74 0.18 0.87 -1.93 0.00 0.00 178.83 178.26 1nu9 h LYS 240 N 1.13 0.40 0.63 1.69 1.57 0.28 -0.12 116.57 122.16 1nu9 h LYS 240 Ca 0.30 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1nu9 h LYS 240 Cb -0.11 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.11 1nu9 h LYS 240 CO -0.06 0.31 -0.35 0.28 -0.57 0.00 0.00 179.45 179.06 1nu9 h VAL 241 N 0.38 0.29 -0.68 0.50 2.07 -0.61 0.13 116.25 118.33 1nu9 h VAL 241 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1nu9 h VAL 241 Cb 0.01 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1nu9 h VAL 241 CO -0.02 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.42 1nu9 h ILE 242 N -0.91 1.04 0.01 4.57 2.04 -1.00 -0.25 117.51 123.00 1nu9 h ILE 242 Ca -0.08 -0.25 -0.19 0.00 1.00 0.00 0.00 64.86 65.34 1nu9 h ILE 242 Cb 0.72 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1nu9 h ILE 242 CO 0.11 0.13 -0.90 0.44 0.00 0.00 0.00 178.15 177.93 1nu9 h ASP 243 N 0.72 0.07 0.10 1.72 3.45 -0.79 -3.33 116.42 118.36 1nu9 h ASP 243 Ca 0.29 -0.06 -0.13 0.00 0.43 0.00 0.00 57.03 57.55 1nu9 h ASP 243 Cb 0.21 -0.02 0.02 0.00 -0.56 0.00 0.00 39.33 38.97 1nu9 h ASP 243 CO -0.09 0.93 -0.59 -0.61 -1.57 0.00 0.00 179.24 177.31 1nu9 h GLN 244 N 0.02 0.22 -6.06 3.56 4.15 -0.24 -3.47 115.11 113.29 1nu9 h GLN 244 Ca -0.02 -0.37 -0.55 0.00 0.77 0.00 0.00 58.65 58.48 1nu9 h GLN 244 Cb 1.57 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 29.37 1nu9 h GLN 244 CO 0.12 1.17 -0.48 -0.06 -1.93 0.00 0.00 178.83 177.66 1nu9 s PHE 245 N -2.39 3.45 0.00 3.99 0.08 -0.15 -5.10 117.98 117.86 1nu9 s PHE 245 Ca -0.15 0.11 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1nu9 s PHE 245 Cb -0.00 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1nu9 s PHE 245 CO 0.79 0.52 0.00 0.41 -0.10 0.00 0.00 175.22 176.84