#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu9 n GLU 1 N 0.00 0.00 0.23 1.61 4.07 -1.26 -4.65 120.64 120.63 1nu9 n GLU 1 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 1nu9 n GLU 1 Cb 0.00 0.00 0.55 0.00 -0.06 0.00 0.00 31.44 31.93 1nu9 n GLU 1 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nu9 h ALA 1 N 0.00 1.32 -0.47 4.31 0.00 -2.01 -2.50 119.26 119.90 1nu9 h ALA 1 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1nu9 h ALA 1 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nu9 h ALA 1 CO 0.00 0.27 0.00 -3.47 0.00 0.00 0.00 179.25 176.05 1nu9 n ASP 1 N -3.81 3.48 -4.74 0.00 4.64 -1.26 -5.03 116.55 109.82 1nu9 n ASP 1 Ca -0.02 -2.14 -0.37 0.00 -1.38 0.00 0.00 54.79 50.89 1nu9 n ASP 1 Cb 0.32 -0.36 0.05 0.00 -1.04 0.00 0.00 41.12 40.09 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 0.76 1.56 3.44 0.00 0.00 -0.51 -4.64 105.19 105.80 1nu9 n GLY 2 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 3.83 -0.04 0.99 1.43 -1.24 -1.68 118.68 121.98 1nu9 s LEU 3 Ca 0.00 -0.39 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1nu9 s LEU 3 Cb 0.00 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1nu9 s LEU 3 CO 0.00 -0.13 0.78 -0.13 0.23 0.00 0.00 176.35 177.10 1nu9 s ARG 4 N 1.61 4.48 0.27 1.70 0.52 -1.26 -4.83 118.95 121.43 1nu9 s ARG 4 Ca 0.05 1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 56.29 1nu9 s ARG 4 Cb -0.16 -3.44 0.51 0.00 0.52 0.00 0.00 34.95 32.37 1nu9 s ARG 4 CO 0.05 0.05 1.81 -1.35 0.02 0.00 0.00 175.30 175.88 1nu9 h PRO 5 N 6.68 0.82 -0.01 3.54 0.11 -1.89 -1.77 132.00 139.48 1nu9 h PRO 5 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nu9 h PRO 5 Cb 1.20 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1nu9 h PRO 5 CO 0.75 0.54 -0.16 1.28 -0.21 0.00 0.00 178.00 180.20 1nu9 n LEU 6 N -4.72 0.97 0.00 2.35 4.32 -1.26 -4.31 117.00 114.35 1nu9 n LEU 6 Ca 0.17 -0.25 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1nu9 n LEU 6 Cb 0.36 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 1nu9 n LEU 6 CO 0.26 0.18 0.00 0.49 -1.22 0.00 0.00 177.39 177.09 1nu9 n PHE 7 N -0.54 0.00 -0.16 -1.77 3.72 -0.83 -4.79 117.46 113.08 1nu9 n PHE 7 Ca 0.15 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.47 1nu9 n PHE 7 Cb 0.33 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 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 -0.24 0.00 -1.08 3.07 -1.55 0.38 114.58 115.16 1nu9 h GLU 8 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1nu9 h GLU 8 Cb 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1nu9 h GLU 8 CO 0.00 -0.16 0.01 1.63 -1.40 0.00 0.00 179.01 179.09 1nu9 n LYS 9 N -5.42 0.00 0.00 2.33 5.02 -0.73 -0.58 118.16 118.78 1nu9 n LYS 9 Ca 0.02 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 1nu9 n LYS 9 Cb 0.35 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.85 1nu9 n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1nu9 n LYS 10 N -1.18 -0.20 -3.37 1.97 5.02 0.11 -5.00 118.16 115.52 1nu9 n LYS 10 Ca 0.00 -0.59 -0.21 0.00 -2.02 0.00 0.00 58.31 55.50 1nu9 n LYS 10 Cb 0.01 -0.91 0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.08 -5.77 -4.28 4.39 7.64 0.25 -5.00 113.62 110.77 1nu9 n SER 11 Ca 0.00 -0.43 -0.31 0.00 1.01 0.00 0.00 58.87 59.14 1nu9 n SER 11 Cb 0.09 -4.42 -0.16 0.00 -1.01 0.00 0.00 64.21 58.71 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 -6.37 2.06 0.19 -3.43 1.43 -0.71 -5.01 118.68 106.84 1nu9 s LEU 12 Ca 0.47 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 1nu9 s LEU 12 Cb -0.21 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1nu9 s LEU 12 CO 0.58 0.27 0.24 -1.61 0.23 0.00 0.00 176.35 176.06 1nu9 s GLU 13 N -0.31 3.19 0.44 1.70 2.02 -1.26 -3.73 118.70 120.74 1nu9 s GLU 13 Ca 0.01 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.20 1nu9 s GLU 13 Cb -0.12 -2.79 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1nu9 s GLU 13 CO 0.02 0.47 0.67 0.16 0.02 0.00 0.00 175.26 176.60 1nu9 s ASP 14 N -3.45 6.00 0.55 -0.19 1.47 -1.26 -4.99 116.67 114.80 1nu9 s ASP 14 Ca 0.33 0.46 0.33 0.00 1.18 0.00 0.00 52.55 54.85 1nu9 s ASP 14 Cb -0.10 -1.78 1.49 0.00 -0.34 0.00 0.00 42.92 42.19 1nu9 s ASP 14 CO 0.26 -0.60 1.85 0.11 0.68 0.00 0.00 175.17 177.47 1nu9 h LYS 14 N 0.42 0.00 0.00 2.11 1.57 -2.01 -2.96 116.57 115.71 1nu9 h LYS 14 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1nu9 h LYS 14 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1nu9 h LYS 14 CO 0.59 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.72 1nu9 n THR 14 N -4.14 0.35 -0.24 -0.16 -2.24 -1.26 -4.76 114.28 101.82 1nu9 n THR 14 Ca 0.20 -0.62 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 1nu9 n THR 14 Cb 1.05 0.89 0.16 0.00 -2.10 0.00 0.00 70.33 70.33 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 0.24 0.00 -0.78 4.81 -1.92 -1.10 114.58 115.82 1nu9 h GLU 14 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nu9 h GLU 14 Cb 0.24 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1nu9 h GLU 14 CO 0.00 0.16 -0.01 0.07 -0.73 0.00 0.00 179.01 178.49 1nu9 h ARG 14 N 0.24 0.00 -2.43 1.92 0.11 -1.86 -3.37 114.38 109.00 1nu9 h ARG 14 Ca 0.40 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.44 1nu9 h ARG 14 Cb 0.67 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.73 1nu9 h ARG 14 CO -0.51 0.01 0.13 0.39 0.10 0.00 0.00 179.97 180.10 1nu9 n GLU 14 N -3.86 0.53 -0.42 0.08 1.02 -0.42 -4.67 120.64 112.91 1nu9 n GLU 14 Ca -0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1nu9 n GLU 14 Cb 0.10 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 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 2.47 0.00 -3.55 -4.62 4.77 -1.26 -4.91 117.00 109.91 1nu9 n LEU 14 Ca 0.09 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 1nu9 n LEU 14 Cb 0.25 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1nu9 n LEU 14 CO 0.13 0.00 2.81 1.21 -1.33 0.00 0.00 177.39 180.21 1nu9 n GLU 14 N -0.17 3.58 -0.74 3.23 0.00 -1.26 -2.42 120.64 122.87 1nu9 n GLU 14 Ca 0.00 -2.73 -0.01 0.00 0.00 0.00 0.00 57.16 54.42 1nu9 n GLU 14 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 31.44 28.49 1nu9 n GLU 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1nu9 n SER 14 N 4.08 -0.01 -4.88 4.31 3.41 -1.26 -5.11 113.62 114.15 1nu9 n SER 14 Ca 0.62 -1.65 -0.36 0.00 -0.26 0.00 0.00 58.87 57.22 1nu9 n SER 14 Cb 0.30 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1nu9 n SER 14 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nu9 s TYR 14 N 0.00 3.61 0.00 7.33 6.14 -1.01 -5.09 117.35 128.32 1nu9 s TYR 14 Ca 0.05 0.60 0.00 0.00 0.64 0.00 0.00 57.07 58.36 1nu9 s TYR 14 Cb 0.06 -2.00 0.00 0.00 0.42 0.00 0.00 41.96 40.45 1nu9 s TYR 14 CO -0.03 0.68 0.00 1.51 0.64 0.00 0.00 175.55 178.36 1nu9 n ILE 14 N 1.62 0.00 -3.75 3.14 3.06 -1.26 -5.13 119.36 117.03 1nu9 n ILE 14 Ca -0.16 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.03 1nu9 n ILE 14 Cb 0.54 -0.04 -0.01 0.00 0.54 0.00 0.00 39.64 40.66 1nu9 n ILE 14 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1nu9 n ASP 14 N 0.00 -0.66 0.00 9.51 8.00 -1.26 -5.04 116.55 127.10 1nu9 n ASP 14 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1nu9 n ASP 14 Cb 0.00 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 42.31 1nu9 n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nu9 n GLY 14 N -0.26 0.16 3.92 0.44 0.00 -1.26 -4.91 105.19 103.28 1nu9 n GLY 14 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1nu9 n GLY 14 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1nu9 n ARG 15 N 0.00 -0.62 -1.28 1.61 1.85 -1.26 -3.91 116.66 113.04 1nu9 n ARG 15 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.80 1nu9 n ARG 15 Cb 0.00 -1.86 0.00 0.00 -1.05 0.00 0.00 32.46 29.55 1nu9 n ARG 15 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1nu9 n ILE 16 N -3.79 -6.22 -0.71 8.89 5.41 -1.26 -4.93 119.36 116.75 1nu9 n ILE 16 Ca -0.14 1.21 0.00 0.00 1.00 0.00 0.00 62.75 64.82 1nu9 n ILE 16 Cb 0.44 -3.72 0.00 0.00 -0.71 0.00 0.00 39.64 35.64 1nu9 n ILE 16 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1nu9 n VAL 17 N 0.68 0.11 -4.29 1.39 0.31 -1.25 -5.07 118.33 110.21 1nu9 n VAL 17 Ca 0.00 -0.20 -0.22 0.00 -0.01 0.00 0.00 64.34 63.91 1nu9 n VAL 17 Cb 0.00 1.38 -0.13 0.00 -0.91 0.00 0.00 33.84 34.18 1nu9 n VAL 17 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nu9 s GLU 18 N -0.11 1.02 0.94 5.55 0.41 -1.26 -5.14 118.70 120.11 1nu9 s GLU 18 Ca 0.00 -1.01 -0.11 0.00 -0.41 0.00 0.00 54.97 53.44 1nu9 s GLU 18 Cb 0.00 -1.15 0.16 0.00 -1.78 0.00 0.00 34.13 31.36 1nu9 s GLU 18 CO 0.00 0.27 1.12 0.20 -0.49 0.00 0.00 175.26 176.36 1nu9 s GLY 19 N -1.67 1.66 0.02 -1.39 0.00 -1.26 -4.95 107.32 99.73 1nu9 s GLY 19 Ca 0.03 0.44 0.24 0.00 0.00 0.00 0.00 44.72 45.43 1nu9 s GLY 19 CO 0.03 0.90 1.25 -1.14 0.00 0.00 0.00 173.10 174.13 1nu9 n SER 20 N -4.27 0.62 -4.71 1.64 3.41 -1.26 -4.90 113.62 104.15 1nu9 n SER 20 Ca 0.10 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.94 1nu9 n SER 20 Cb 0.53 0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 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 -3.25 6.73 0.64 4.04 1.11 -1.26 -0.80 116.67 123.89 1nu9 s ASP 21 Ca 0.09 2.41 -0.17 0.00 0.18 0.00 0.00 52.55 55.05 1nu9 s ASP 21 Cb 0.16 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.56 1nu9 s ASP 21 CO 0.75 -0.74 1.20 0.00 1.18 0.00 0.00 175.17 177.57 1nu9 s ALA 22 N 1.42 2.41 0.32 5.23 0.00 0.30 -4.86 121.76 126.57 1nu9 s ALA 22 Ca 0.67 0.95 -0.21 0.00 0.00 0.00 0.00 51.96 53.36 1nu9 s ALA 22 Cb -0.39 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 1nu9 s ALA 22 CO 0.30 -1.40 0.85 -1.21 0.00 0.00 0.00 175.76 174.30 1nu9 s GLU 23 N -3.57 4.33 0.02 0.00 2.02 -1.26 -4.91 118.70 115.32 1nu9 s GLU 23 Ca 0.76 1.05 -0.33 0.00 0.02 0.00 0.00 54.97 56.47 1nu9 s GLU 23 Cb -0.30 -2.64 -0.12 0.00 0.10 0.00 0.00 34.13 31.18 1nu9 s GLU 23 CO 0.38 0.23 1.82 -0.89 0.02 0.00 0.00 175.26 176.82 1nu9 n ILE 24 N 0.22 0.44 -0.86 -1.63 -0.00 -1.26 -1.32 119.36 114.95 1nu9 n ILE 24 Ca 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 1nu9 n ILE 24 Cb 0.52 -1.90 0.00 0.00 -0.00 0.00 0.00 39.64 38.26 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 4.18 0.71 0.04 7.39 0.00 -1.26 -4.94 105.19 111.31 1nu9 n GLY 25 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.52 0.07 -3.16 1.61 0.00 -0.43 -3.72 117.12 108.97 1nu9 n MET 26 Ca 0.00 0.20 -0.19 0.00 0.00 0.00 0.00 57.70 57.71 1nu9 n MET 26 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 33.22 31.58 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 -1.73 0.41 0.00 3.17 2.88 -1.26 -4.97 113.62 112.12 1nu9 n SER 27 Ca 0.05 -2.95 0.02 0.00 -1.33 0.00 0.00 58.87 54.66 1nu9 n SER 27 Cb 0.27 -0.46 0.10 0.00 -0.75 0.00 0.00 64.21 63.37 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 0.65 0.05 -0.23 -1.46 -0.04 -1.24 -0.17 135.00 132.56 1nu9 n PRO 28 Ca 0.23 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 64.07 1nu9 n PRO 28 Cb 0.62 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.31 0.61 -2.21 0.54 2.14 -1.10 -1.47 117.44 114.64 1nu9 n TRP 29 Ca 0.02 -0.30 -0.42 0.00 2.07 0.00 0.00 57.50 58.86 1nu9 n TRP 29 Cb 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 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 -1.39 4.34 -0.01 -2.67 2.00 0.76 -0.69 119.66 122.00 1nu9 s GLN 30 Ca 0.41 2.03 0.05 0.00 -2.00 0.00 0.00 55.36 55.84 1nu9 s GLN 30 Cb 0.23 -3.27 -0.01 0.00 0.80 0.00 0.00 33.01 30.76 1nu9 s GLN 30 CO 0.31 -0.41 -0.15 0.08 -0.50 0.00 0.00 175.29 174.62 1nu9 s VAL 31 N 1.12 1.17 -0.22 1.34 1.01 -0.47 -3.89 120.40 120.46 1nu9 s VAL 31 Ca 0.64 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 1nu9 s VAL 31 Cb -0.36 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1nu9 s VAL 31 CO 0.30 0.30 0.11 -0.32 0.00 0.00 0.00 175.10 175.49 1nu9 s MET 32 N -0.42 3.97 -0.37 2.72 1.75 -0.21 -0.35 119.30 126.39 1nu9 s MET 32 Ca 0.05 -0.33 -0.18 0.00 -1.25 0.00 0.00 55.69 53.99 1nu9 s MET 32 Cb -0.06 -3.38 0.00 0.00 2.84 0.00 0.00 34.83 34.23 1nu9 s MET 32 CO -0.00 0.11 0.48 -1.17 -0.65 0.00 0.00 175.02 173.78 1nu9 s LEU 33 N 0.88 4.50 -0.16 4.11 2.96 0.35 -1.21 118.68 130.11 1nu9 s LEU 33 Ca 0.06 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1nu9 s LEU 33 Cb -0.13 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 1nu9 s LEU 33 CO 0.03 -0.50 -0.10 0.12 -1.32 0.00 0.00 176.35 174.58 1nu9 s PHE 34 N 2.30 2.88 -0.12 5.38 5.36 0.01 -1.19 117.98 132.60 1nu9 s PHE 34 Ca 0.16 -0.66 -0.26 0.00 -0.96 0.00 0.00 56.93 55.21 1nu9 s PHE 34 Cb -0.16 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1nu9 s PHE 34 CO 0.14 -0.26 0.84 0.50 -1.46 0.00 0.00 175.22 174.98 1nu9 s ARG 35 N 0.62 4.37 0.14 10.12 6.06 -0.06 -0.94 118.95 139.26 1nu9 s ARG 35 Ca -0.06 1.08 -0.14 0.00 -2.50 0.00 0.00 55.73 54.12 1nu9 s ARG 35 Cb -0.15 -3.53 0.02 0.00 0.06 0.00 0.00 34.95 31.35 1nu9 s ARG 35 CO 0.03 -0.21 1.64 0.87 -2.50 0.00 0.00 175.30 175.13 1nu9 h LYS 36 N 7.12 0.77 -2.39 5.12 1.57 -1.57 -2.24 116.57 124.95 1nu9 h LYS 36 Ca -0.33 -0.19 -0.10 0.00 -1.87 0.00 0.00 60.65 58.16 1nu9 h LYS 36 Cb 1.16 -0.10 -0.28 0.00 0.08 0.00 0.00 32.23 33.09 1nu9 h LYS 36 CO 0.81 0.76 -0.38 0.45 -0.57 0.00 0.00 179.45 180.52 1nu9 s SER 36 N -6.13 -0.22 0.33 0.86 0.15 -1.26 -2.84 113.70 104.59 1nu9 s SER 36 Ca -0.13 0.89 -0.27 0.00 0.70 0.00 0.00 55.95 57.14 1nu9 s SER 36 Cb 0.11 1.35 -0.09 0.00 -1.71 0.00 0.00 66.02 65.68 1nu9 s SER 36 CO 0.79 -0.24 1.11 -2.16 1.20 0.00 0.00 173.24 173.94 1nu9 s PRO 37 N 2.61 4.42 -0.01 5.44 0.04 -1.26 -5.07 135.00 141.18 1nu9 s PRO 37 Ca 0.01 1.77 -0.39 0.00 0.04 0.00 0.00 61.00 62.43 1nu9 s PRO 37 Cb -0.13 -2.95 -0.18 0.00 0.04 0.00 0.00 34.50 31.28 1nu9 s PRO 37 CO -0.13 0.02 1.25 1.04 0.04 0.00 0.00 177.00 179.22 1nu9 n GLN 38 N 0.70 0.54 -3.63 4.56 6.02 -1.13 -4.83 117.38 119.62 1nu9 n GLN 38 Ca 0.01 0.19 -0.04 0.00 -0.01 0.00 0.00 57.00 57.16 1nu9 n GLN 38 Cb 0.46 -1.76 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 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 0.57 0.55 -0.48 -1.09 2.12 -0.84 -4.99 118.70 114.53 1nu9 s GLU 39 Ca 0.89 1.01 -0.28 0.00 0.36 0.00 0.00 54.97 56.96 1nu9 s GLU 39 Cb -1.14 0.22 -0.00 0.00 0.26 0.00 0.00 34.13 33.46 1nu9 s GLU 39 CO 0.55 -0.13 1.59 -1.17 -0.54 0.00 0.00 175.26 175.56 1nu9 s LEU 40 N 1.72 3.45 -0.11 2.70 1.98 -1.26 -0.89 118.68 126.27 1nu9 s LEU 40 Ca -0.09 0.66 -0.18 0.00 -2.89 0.00 0.00 54.13 51.64 1nu9 s LEU 40 Cb -0.05 -3.17 -0.27 0.00 0.66 0.00 0.00 46.19 43.36 1nu9 s LEU 40 CO -0.18 -1.78 0.57 -0.07 -1.89 0.00 0.00 176.35 173.00 1nu9 h LEU 41 N 13.68 0.33 -7.98 -0.68 3.38 -1.52 -3.49 115.31 119.03 1nu9 h LEU 41 Ca -0.28 -0.84 0.09 0.00 0.09 0.00 0.00 57.88 56.94 1nu9 h LEU 41 Cb 1.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1nu9 h LEU 41 CO 1.13 1.54 0.47 0.00 0.09 0.00 0.00 178.44 181.67 1nu9 s GLY 43 N -3.29 2.08 0.18 0.00 0.00 -0.27 -0.49 107.32 105.53 1nu9 s GLY 43 Ca 0.20 -1.68 -0.18 0.00 0.00 0.00 0.00 44.72 43.06 1nu9 s GLY 43 CO 0.08 -1.81 0.89 0.00 0.00 0.00 0.00 173.10 172.26 1nu9 n ALA 44 N -1.95 -2.30 -3.01 3.20 0.00 0.52 -3.68 120.51 113.29 1nu9 n ALA 44 Ca 0.06 -0.93 -0.10 0.00 0.00 0.00 0.00 53.44 52.47 1nu9 n ALA 44 Cb 0.63 0.55 -0.11 0.00 0.00 0.00 0.00 19.45 20.52 1nu9 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nu9 s SER 45 N -3.13 0.18 -0.32 0.00 1.04 0.89 -1.37 113.70 110.99 1nu9 s SER 45 Ca 0.20 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 56.01 1nu9 s SER 45 Cb -0.03 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1nu9 s SER 45 CO 0.05 -0.31 0.65 -0.22 0.98 0.00 0.00 173.24 174.39 1nu9 s LEU 46 N -1.40 4.18 0.00 2.42 1.98 0.13 -0.08 118.68 125.91 1nu9 s LEU 46 Ca -0.15 0.34 0.14 0.00 -2.89 0.00 0.00 54.13 51.57 1nu9 s LEU 46 Cb -0.09 -2.83 0.04 0.00 0.66 0.00 0.00 46.19 43.97 1nu9 s LEU 46 CO -0.00 -0.53 0.83 2.30 -1.89 0.00 0.00 176.35 177.05 1nu9 n ILE 47 N 5.48 0.00 -3.88 6.68 -5.35 -0.69 -2.08 119.36 119.52 1nu9 n ILE 47 Ca -0.01 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 1nu9 n ILE 47 Cb 0.49 1.21 0.01 0.00 -1.74 0.00 0.00 39.64 39.61 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 -1.48 -0.01 0.00 7.28 1.04 -1.23 -4.76 113.70 114.54 1nu9 s SER 48 Ca 0.13 -0.35 0.15 0.00 0.48 0.00 0.00 55.95 56.36 1nu9 s SER 48 Cb 0.11 0.28 0.88 0.00 0.10 0.00 0.00 66.02 67.39 1nu9 s SER 48 CO 0.28 -0.54 1.31 -0.90 0.98 0.00 0.00 173.24 174.37 1nu9 n ASP 49 N -0.98 0.00 0.00 7.02 5.68 -1.26 -3.33 116.55 123.67 1nu9 n ASP 49 Ca -0.01 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 1nu9 n ASP 49 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1nu9 n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1nu9 n ARG 50 N -0.91 1.00 -4.97 0.11 3.00 -1.26 -0.61 116.66 113.03 1nu9 n ARG 50 Ca 0.11 -0.03 -0.27 0.00 -0.00 0.00 0.00 57.85 57.67 1nu9 n ARG 50 Cb 0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 32.46 32.12 1nu9 n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1nu9 s TRP 51 N -0.15 1.79 -0.05 -0.14 0.52 -1.21 -1.36 118.94 118.34 1nu9 s TRP 51 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 56.10 55.80 1nu9 s TRP 51 Cb 0.00 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.16 1nu9 s TRP 51 CO 0.00 -0.05 -0.16 0.08 0.02 0.00 0.00 176.95 176.84 1nu9 s VAL 52 N -0.42 1.38 -0.07 4.03 1.01 -0.08 -1.70 120.40 124.56 1nu9 s VAL 52 Ca 0.06 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1nu9 s VAL 52 Cb -0.08 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1nu9 s VAL 52 CO -0.00 0.40 0.04 -0.22 0.00 0.00 0.00 175.10 175.32 1nu9 s LEU 53 N 0.18 3.78 0.00 3.92 2.96 0.88 0.01 118.68 130.41 1nu9 s LEU 53 Ca -0.07 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1nu9 s LEU 53 Cb -0.13 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.62 1nu9 s LEU 53 CO 0.03 0.36 0.17 1.07 -1.32 0.00 0.00 176.35 176.66 1nu9 n THR 54 N 1.90 0.00 -3.39 3.68 5.66 -0.46 -0.07 114.28 121.60 1nu9 n THR 54 Ca -0.18 -0.37 -0.37 0.00 -3.05 0.00 0.00 64.05 60.09 1nu9 n THR 54 Cb 0.54 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.53 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 -1.59 3.62 0.21 1.79 0.00 -1.26 -1.43 121.76 123.10 1nu9 s ALA 55 Ca 0.06 -0.13 -0.10 0.00 0.00 0.00 0.00 51.96 51.79 1nu9 s ALA 55 Cb -0.01 -2.50 0.16 0.00 0.00 0.00 0.00 23.12 20.77 1nu9 s ALA 55 CO 0.04 0.46 1.85 0.00 0.00 0.00 0.00 175.76 178.11 1nu9 h ALA 56 N 4.04 0.99 0.00 0.00 0.00 -1.68 -2.58 119.26 120.03 1nu9 h ALA 56 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1nu9 h ALA 56 Cb 1.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1nu9 h ALA 56 CO 0.64 0.47 0.00 -2.39 0.00 0.00 0.00 179.25 177.97 1nu9 n HIS 57 N -4.47 0.58 0.38 0.00 1.44 -1.26 -0.88 115.22 111.01 1nu9 n HIS 57 Ca 0.07 0.28 0.13 0.00 -2.01 0.00 0.00 57.72 56.20 1nu9 n HIS 57 Cb 0.07 -0.95 0.39 0.00 0.12 0.00 0.00 29.99 29.61 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 -2.73 2.85 -3.84 0.00 4.77 -0.05 -4.87 117.00 113.12 1nu9 n LEU 59 Ca 0.04 -0.06 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1nu9 n LEU 59 Cb 0.41 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.85 1nu9 n LEU 59 CO 0.30 0.70 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.43 1nu9 s LEU 60 N -5.88 0.91 0.19 2.23 2.96 -0.29 -0.39 118.68 118.42 1nu9 s LEU 60 Ca -0.19 -0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.32 1nu9 s LEU 60 Cb 0.05 -0.60 0.05 0.00 0.50 0.00 0.00 46.19 46.19 1nu9 s LEU 60 CO 0.31 -0.15 0.70 -0.47 -1.32 0.00 0.00 176.35 175.43 1nu9 s TYR 60 N 1.74 -0.35 0.00 5.38 5.04 0.44 -4.02 117.35 125.58 1nu9 s TYR 60 Ca 0.03 0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1nu9 s TYR 60 Cb -0.13 0.62 0.00 0.00 0.35 0.00 0.00 41.96 42.81 1nu9 s TYR 60 CO -0.06 -0.97 0.00 -2.30 -1.34 0.00 0.00 175.55 170.88 1nu9 n PRO 60 N -0.41 0.00 -0.33 4.97 -0.02 -1.26 -2.51 135.00 135.44 1nu9 n PRO 60 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 1nu9 n PRO 60 Cb 0.62 0.00 0.17 0.00 -0.02 0.00 0.00 33.50 34.27 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 -4.12 6.00 8.01 -1.26 -4.97 117.44 121.10 1nu9 n TRP 60 Ca 0.00 -1.19 -0.30 0.00 -1.31 0.00 0.00 57.50 54.70 1nu9 n TRP 60 Cb 0.00 -0.19 -0.05 0.00 -2.01 0.00 0.00 31.31 29.06 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 -1.25 -0.14 -4.14 -0.99 2.03 -1.21 -4.94 116.55 105.92 1nu9 n ASP 60 Ca 0.17 -1.16 -0.32 0.00 0.52 0.00 0.00 54.79 54.00 1nu9 n ASP 60 Cb 0.67 -2.29 -0.16 0.00 -0.72 0.00 0.00 41.12 38.62 1nu9 n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1nu9 s LYS 60 N -6.98 2.87 -0.45 -0.67 2.20 -1.05 -5.04 119.74 110.63 1nu9 s LYS 60 Ca 0.05 -0.80 0.07 0.00 -0.36 0.00 0.00 55.97 54.93 1nu9 s LYS 60 Cb -0.02 -2.36 0.18 0.00 -1.51 0.00 0.00 37.83 34.12 1nu9 s LYS 60 CO 0.95 -0.05 0.65 1.21 -0.36 0.00 0.00 175.35 177.75 1nu9 s ASN 60 N 0.91 -1.34 0.19 1.43 3.84 -1.22 -0.42 114.94 118.33 1nu9 s ASN 60 Ca -0.05 -1.22 -0.22 0.00 0.21 0.00 0.00 52.86 51.58 1nu9 s ASN 60 Cb -0.15 1.84 -0.08 0.00 -0.55 0.00 0.00 41.25 42.31 1nu9 s ASN 60 CO -0.03 -0.13 0.73 -0.36 -2.79 0.00 0.00 177.10 174.52 1nu9 s PHE 60 N 1.42 3.76 0.37 0.43 0.08 0.48 -5.01 117.98 119.52 1nu9 s PHE 60 Ca 0.22 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.81 1nu9 s PHE 60 Cb -0.03 -2.66 -0.04 0.00 -0.57 0.00 0.00 43.02 39.72 1nu9 s PHE 60 CO -0.06 0.43 0.22 0.95 -0.10 0.00 0.00 175.22 176.65 1nu9 s THR 60 N -1.35 2.83 0.22 0.64 -4.23 -1.26 -4.89 115.64 107.61 1nu9 s THR 60 Ca 0.39 -1.59 -0.17 0.00 -1.18 0.00 0.00 61.69 59.14 1nu9 s THR 60 Cb -0.19 -3.01 0.23 0.00 1.34 0.00 0.00 72.50 70.87 1nu9 s THR 60 CO 0.23 -0.10 1.57 -0.33 -0.54 0.00 0.00 174.62 175.44 1nu9 h GLU 61 N 1.38 -0.05 0.00 3.99 3.07 -1.94 -0.43 114.58 120.61 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 1.26 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 1nu9 h GLU 61 CO 0.63 -0.03 0.00 -0.91 -1.40 0.00 0.00 179.01 177.30 1nu9 h ASN 62 N -0.05 0.00 1.11 1.42 2.35 -1.96 -2.65 115.58 115.81 1nu9 h ASN 62 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1nu9 h ASN 62 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 1nu9 h ASN 62 CO -0.89 0.00 0.00 0.44 -1.65 0.00 0.00 177.43 175.33 1nu9 h ASP 63 N 0.00 0.00 -5.51 5.81 3.45 -1.46 -3.47 116.42 115.24 1nu9 h ASP 63 Ca 0.00 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.20 1nu9 h ASP 63 Cb 0.22 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 38.90 1nu9 h ASP 63 CO 0.00 0.00 -0.22 -1.48 -1.57 0.00 0.00 179.24 175.97 1nu9 s LEU 64 N -4.83 0.97 0.21 1.55 0.05 -1.00 -1.46 118.68 114.18 1nu9 s LEU 64 Ca 0.06 -1.43 -0.03 0.00 0.05 0.00 0.00 54.13 52.78 1nu9 s LEU 64 Cb 0.10 1.40 -0.03 0.00 -2.05 0.00 0.00 46.19 45.61 1nu9 s LEU 64 CO 0.50 -1.25 0.21 -1.48 -0.55 0.00 0.00 176.35 173.78 1nu9 s LEU 65 N -3.21 0.99 -0.03 1.48 0.05 -0.12 -4.51 118.68 113.33 1nu9 s LEU 65 Ca 0.30 -1.30 0.07 0.00 0.05 0.00 0.00 54.13 53.25 1nu9 s LEU 65 Cb 0.00 0.68 -0.02 0.00 -2.05 0.00 0.00 46.19 44.80 1nu9 s LEU 65 CO 0.19 -0.91 -0.24 -0.69 -0.55 0.00 0.00 176.35 174.15 1nu9 s VAL 66 N -4.11 2.23 -0.16 1.48 1.01 -0.97 -0.81 120.40 119.08 1nu9 s VAL 66 Ca 0.36 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1nu9 s VAL 66 Cb 0.05 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1nu9 s VAL 66 CO 0.12 0.58 -0.16 -0.13 0.00 0.00 0.00 175.10 175.51 1nu9 s ARG 67 N -0.61 2.48 0.15 2.72 0.52 -0.35 -1.60 118.95 122.26 1nu9 s ARG 67 Ca 0.10 -0.65 0.09 0.00 -0.52 0.00 0.00 55.73 54.74 1nu9 s ARG 67 Cb -0.10 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.07 1nu9 s ARG 67 CO -0.00 -0.24 -0.16 0.42 0.02 0.00 0.00 175.30 175.33 1nu9 s ILE 68 N 1.43 2.91 -0.16 1.52 1.01 0.80 -1.04 121.20 127.66 1nu9 s ILE 68 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1nu9 s ILE 68 Cb -0.13 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1nu9 s ILE 68 CO -0.11 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1nu9 n GLY 69 N 0.49 0.52 3.85 6.18 0.00 -1.25 -0.98 105.19 113.99 1nu9 n GLY 69 Ca -0.14 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.18 3.91 0.09 1.61 1.02 -1.26 -4.34 119.74 119.59 1nu9 s LYS 70 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 55.97 56.75 1nu9 s LYS 70 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1nu9 s LYS 70 CO 0.00 -0.13 0.00 1.58 -0.92 0.00 0.00 175.35 175.88 1nu9 n HIS 71 N -1.31 -0.04 -3.73 3.18 -0.00 -1.26 -4.93 115.22 107.12 1nu9 n HIS 71 Ca 0.05 0.01 -0.35 0.00 -0.00 0.00 0.00 57.72 57.42 1nu9 n HIS 71 Cb 0.54 0.01 -0.08 0.00 -0.00 0.00 0.00 29.99 30.46 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 -5.89 6.26 0.00 0.26 0.15 -1.26 -1.95 113.70 111.26 1nu9 s SER 72 Ca 0.00 0.29 0.29 0.00 0.70 0.00 0.00 55.95 57.23 1nu9 s SER 72 Cb 0.00 -2.10 1.33 0.00 -1.71 0.00 0.00 66.02 63.54 1nu9 s SER 72 CO 0.00 0.20 1.90 -2.11 1.20 0.00 0.00 173.24 174.43 1nu9 n ARG 73 N 3.32 1.42 0.00 5.44 1.85 0.27 -4.01 116.66 124.95 1nu9 n ARG 73 Ca -0.16 -0.62 0.13 0.00 -1.00 0.00 0.00 57.85 56.20 1nu9 n ARG 73 Cb 0.52 -1.48 0.32 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.24 0.00 -3.83 8.89 -2.24 -1.26 -4.92 114.28 110.67 1nu9 n THR 74 Ca 0.20 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 1nu9 n THR 74 Cb 0.26 0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.47 0.78 0.14 -0.78 1.81 -1.26 -5.13 118.95 112.05 1nu9 s ARG 75 Ca 0.24 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.20 1nu9 s ARG 75 Cb 0.19 0.32 -0.07 0.00 -0.45 0.00 0.00 34.95 34.94 1nu9 s ARG 75 CO 0.52 -0.24 1.11 -0.47 -0.68 0.00 0.00 175.30 175.54 1nu9 s TYR 76 N -3.13 3.57 -0.67 -0.53 5.04 -1.26 -4.87 117.35 115.50 1nu9 s TYR 76 Ca -0.01 1.55 -0.03 0.00 -2.44 0.00 0.00 57.07 56.14 1nu9 s TYR 76 Cb 0.01 -3.29 0.17 0.00 0.35 0.00 0.00 41.96 39.21 1nu9 s TYR 76 CO -0.07 -0.69 0.49 -1.21 -1.34 0.00 0.00 175.55 172.73 1nu9 s GLU 77 N 0.02 2.68 0.45 4.97 2.02 -1.26 -4.97 118.70 122.62 1nu9 s GLU 77 Ca 0.51 -2.64 0.16 0.00 0.02 0.00 0.00 54.97 53.02 1nu9 s GLU 77 Cb -0.29 -3.77 1.09 0.00 0.10 0.00 0.00 34.13 31.26 1nu9 s GLU 77 CO 0.33 -1.19 1.99 0.07 0.02 0.00 0.00 175.26 176.48 1nu9 h ARG 77 N 6.90 0.32 0.00 1.61 0.11 -1.94 0.32 114.38 121.71 1nu9 h ARG 77 Ca 0.01 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1nu9 h ARG 77 Cb 0.94 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.94 1nu9 h ARG 77 CO 0.73 0.21 -0.18 0.09 0.10 0.00 0.00 179.97 180.92 1nu9 n ASN 78 N -4.46 0.36 0.00 0.08 3.02 -1.26 -4.36 115.26 108.65 1nu9 n ASN 78 Ca 0.09 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.96 1nu9 n ASN 78 Cb 0.40 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1nu9 n ASN 78 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1nu9 n ILE 79 N -1.74 0.00 -2.41 2.41 -5.35 -1.01 -5.08 119.36 106.18 1nu9 n ILE 79 Ca 0.06 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.18 1nu9 n ILE 79 Cb 0.37 -0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.17 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 -1.05 3.88 -0.04 6.28 2.12 0.11 -4.57 118.70 125.43 1nu9 s GLU 80 Ca 0.00 1.60 -0.00 0.00 0.36 0.00 0.00 54.97 56.92 1nu9 s GLU 80 Cb 0.00 -2.37 0.03 0.00 0.26 0.00 0.00 34.13 32.05 1nu9 s GLU 80 CO 0.00 -0.41 0.01 0.21 -0.54 0.00 0.00 175.26 174.53 1nu9 s LYS 81 N -2.77 0.27 -0.15 4.30 2.36 -0.16 -4.87 119.74 118.73 1nu9 s LYS 81 Ca 0.63 0.13 -0.04 0.00 -2.55 0.00 0.00 55.97 54.13 1nu9 s LYS 81 Cb -0.24 -0.53 -0.03 0.00 -1.05 0.00 0.00 37.83 35.98 1nu9 s LYS 81 CO 0.29 -0.18 -0.01 0.42 1.55 0.00 0.00 175.35 177.41 1nu9 s ILE 82 N 1.29 4.12 -0.02 5.43 1.09 -1.26 -0.14 121.20 131.71 1nu9 s ILE 82 Ca -0.06 -0.28 0.05 0.00 -1.10 0.00 0.00 60.65 59.26 1nu9 s ILE 82 Cb -0.13 -2.81 -0.01 0.00 -1.06 0.00 0.00 42.46 38.45 1nu9 s ILE 82 CO -0.02 0.50 -0.17 -0.44 -0.10 0.00 0.00 174.94 174.71 1nu9 s SER 83 N 0.17 2.03 0.36 3.58 0.01 -0.63 -4.99 113.70 114.23 1nu9 s SER 83 Ca -0.00 -0.32 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 1nu9 s SER 83 Cb -0.13 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.65 1nu9 s SER 83 CO 0.02 0.18 0.74 0.00 0.41 0.00 0.00 173.24 174.60 1nu9 s MET 84 N -0.21 3.86 -0.04 12.44 0.23 -1.26 -2.28 119.30 132.03 1nu9 s MET 84 Ca 0.02 0.52 -0.21 0.00 -1.03 0.00 0.00 55.69 54.99 1nu9 s MET 84 Cb -0.09 -2.42 -0.05 0.00 -1.53 0.00 0.00 34.83 30.74 1nu9 s MET 84 CO 0.00 0.06 0.59 -0.51 -2.03 0.00 0.00 175.02 173.13 1nu9 s LEU 85 N -3.48 4.36 -0.10 0.18 1.02 -1.26 -2.52 118.68 116.89 1nu9 s LEU 85 Ca 0.52 1.09 -0.14 0.00 0.02 0.00 0.00 54.13 55.62 1nu9 s LEU 85 Cb -0.10 -2.90 -0.28 0.00 0.02 0.00 0.00 46.19 42.93 1nu9 s LEU 85 CO 0.26 0.03 0.55 -0.08 0.02 0.00 0.00 176.35 177.13 1nu9 h GLU 86 N 6.12 0.27 -2.23 1.70 4.81 -0.13 -3.44 114.58 121.68 1nu9 h GLU 86 Ca -0.43 -0.46 -0.07 0.00 -0.13 0.00 0.00 59.36 58.26 1nu9 h GLU 86 Cb 1.20 0.17 -0.20 0.00 0.63 0.00 0.00 28.75 30.55 1nu9 h GLU 86 CO 0.72 1.22 0.07 0.21 -0.73 0.00 0.00 179.01 180.50 1nu9 s LYS 87 N -2.50 0.90 -0.16 1.92 2.36 -1.09 -4.99 119.74 116.19 1nu9 s LYS 87 Ca -0.20 0.36 -0.03 0.00 -2.55 0.00 0.00 55.97 53.55 1nu9 s LYS 87 Cb 0.05 0.43 -0.02 0.00 -1.05 0.00 0.00 37.83 37.23 1nu9 s LYS 87 CO 0.78 -0.24 -0.06 0.42 1.55 0.00 0.00 175.35 177.80 1nu9 s ILE 88 N -0.79 3.62 -0.32 5.43 1.01 -1.26 -0.56 121.20 128.34 1nu9 s ILE 88 Ca -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1nu9 s ILE 88 Cb -0.02 -2.58 0.09 0.00 0.01 0.00 0.00 42.46 39.96 1nu9 s ILE 88 CO 0.06 0.49 0.02 -0.31 0.00 0.00 0.00 174.94 175.21 1nu9 s TYR 89 N 0.47 3.38 -0.02 3.97 2.02 0.38 -5.00 117.35 122.55 1nu9 s TYR 89 Ca -0.05 -2.68 -0.15 0.00 -0.37 0.00 0.00 57.07 53.81 1nu9 s TYR 89 Cb -0.15 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 38.81 1nu9 s TYR 89 CO 0.03 -0.92 0.42 0.42 -1.57 0.00 0.00 175.55 173.93 1nu9 s ILE 90 N 1.04 5.05 0.04 2.71 1.01 -1.26 -0.38 121.20 129.41 1nu9 s ILE 90 Ca 0.07 0.86 -0.35 0.00 0.00 0.00 0.00 60.65 61.23 1nu9 s ILE 90 Cb -0.19 -3.73 -0.14 0.00 0.01 0.00 0.00 42.46 38.41 1nu9 s ILE 90 CO -0.09 0.53 1.63 1.57 0.00 0.00 0.00 174.94 178.58 1nu9 n HIS 91 N 2.16 2.14 0.32 3.97 -0.00 -1.07 -4.83 115.22 117.90 1nu9 n HIS 91 Ca -0.13 0.28 0.20 0.00 -0.00 0.00 0.00 57.72 58.08 1nu9 n HIS 91 Cb 0.52 -2.53 1.07 0.00 -0.00 0.00 0.00 29.99 29.05 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 6.67 0.00 -0.61 1.57 0.13 -1.95 -2.22 132.00 135.59 1nu9 h PRO 92 Ca -0.46 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.28 1nu9 h PRO 92 Cb 1.28 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 1nu9 h PRO 92 CO 0.89 0.01 -0.05 0.54 -0.23 0.00 0.00 178.00 179.16 1nu9 n ARG 93 N -3.22 2.47 -2.27 0.86 1.74 -1.26 -4.97 116.66 110.00 1nu9 n ARG 93 Ca -0.02 -3.46 -0.42 0.00 -0.77 0.00 0.00 57.85 53.18 1nu9 n ARG 93 Cb 0.12 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 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 -3.46 2.85 -1.09 -1.55 5.04 -0.84 -4.69 117.35 113.62 1nu9 s TYR 94 Ca 0.51 0.87 -0.07 0.00 -2.44 0.00 0.00 57.07 55.94 1nu9 s TYR 94 Cb 0.43 -3.62 0.28 0.00 0.35 0.00 0.00 41.96 39.40 1nu9 s TYR 94 CO 0.01 -2.25 1.15 -1.71 -1.34 0.00 0.00 175.55 171.41 1nu9 n ASN 95 N 5.60 5.56 0.15 4.32 2.85 -0.02 -4.87 115.26 128.85 1nu9 n ASN 95 Ca 0.13 -3.13 0.00 0.00 -0.11 0.00 0.00 54.58 51.47 1nu9 n ASN 95 Cb 0.44 -1.32 0.23 0.00 1.24 0.00 0.00 39.78 40.37 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 6.31 0.00 -0.01 1.20 5.08 -1.93 -0.97 115.95 125.63 1nu9 h TRP 96 Ca 0.18 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.15 1nu9 h TRP 96 Cb 0.81 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.97 1nu9 h TRP 96 CO 0.80 0.54 0.00 2.89 -1.28 0.00 0.00 178.44 181.39 1nu9 n ARG 97 N -3.85 1.17 0.08 0.12 1.85 -1.26 -4.58 116.66 110.19 1nu9 n ARG 97 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 57.85 56.59 1nu9 n ARG 97 Cb 0.56 -1.44 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 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 -0.66 0.00 -0.34 2.89 2.13 -1.20 -5.01 120.64 118.45 1nu9 n GLU 97 Ca 0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1nu9 n GLU 97 Cb 0.16 -0.34 0.00 0.00 0.27 0.00 0.00 31.44 31.52 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 -3.47 0.00 -2.06 4.31 0.23 -1.19 -4.83 115.26 108.25 1nu9 n ASN 98 Ca 0.00 -1.34 -0.21 0.00 -0.53 0.00 0.00 54.58 52.50 1nu9 n ASN 98 Cb 0.00 -0.07 -0.04 0.00 -2.08 0.00 0.00 39.78 37.59 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 -1.78 -4.72 -4.53 4.77 -0.37 -4.92 117.00 105.45 1nu9 n LEU 99 Ca 0.00 0.19 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 1nu9 n LEU 99 Cb 0.57 -2.90 -0.02 0.00 -2.33 0.00 0.00 43.42 38.73 1nu9 n LEU 99 CO 0.00 -0.57 1.22 -0.67 -1.33 0.00 0.00 177.39 176.04 1nu9 n ASP 100 N -1.73 3.59 -2.94 -1.43 2.03 -1.23 -2.43 116.55 112.41 1nu9 n ASP 100 Ca -0.23 1.12 -0.13 0.00 0.52 0.00 0.00 54.79 56.07 1nu9 n ASP 100 Cb 0.69 -1.54 0.07 0.00 -0.72 0.00 0.00 41.12 39.62 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 2.62 -4.87 -2.74 -0.67 1.74 -1.26 -0.84 116.66 110.63 1nu9 n ARG 101 Ca 0.11 0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 57.44 1nu9 n ARG 101 Cb 0.34 -5.16 -0.00 0.00 -1.02 0.00 0.00 32.46 26.62 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 -3.99 6.90 -0.03 0.55 2.15 -1.02 -4.41 116.67 116.82 1nu9 s ASP 102 Ca 0.04 -2.58 -0.16 0.00 0.43 0.00 0.00 52.55 50.28 1nu9 s ASP 102 Cb -0.01 -2.50 0.03 0.00 -0.30 0.00 0.00 42.92 40.14 1nu9 s ASP 102 CO 0.58 -1.02 0.35 -0.51 -0.17 0.00 0.00 175.17 174.41 1nu9 s ILE 103 N 3.14 0.05 -0.01 4.11 2.07 -1.26 -3.65 121.20 125.64 1nu9 s ILE 103 Ca 0.48 -0.40 -0.25 0.00 -1.41 0.00 0.00 60.65 59.07 1nu9 s ILE 103 Cb 0.01 -0.65 0.05 0.00 0.13 0.00 0.00 42.46 42.00 1nu9 s ILE 103 CO 0.03 -0.22 0.55 0.00 -1.91 0.00 0.00 174.94 173.39 1nu9 s ALA 104 N -1.21 -1.43 0.07 1.50 0.00 -0.51 -2.60 121.76 117.57 1nu9 s ALA 104 Ca -0.12 0.90 0.07 0.00 0.00 0.00 0.00 51.96 52.80 1nu9 s ALA 104 Cb -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1nu9 s ALA 104 CO 0.05 -0.38 -0.16 -0.51 0.00 0.00 0.00 175.76 174.76 1nu9 s LEU 105 N -1.44 2.76 -0.10 0.00 1.43 0.49 -1.35 118.68 120.46 1nu9 s LEU 105 Ca -0.10 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1nu9 s LEU 105 Cb -0.01 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1nu9 s LEU 105 CO 0.05 0.23 -0.07 -0.04 0.23 0.00 0.00 176.35 176.75 1nu9 s MET 106 N -1.74 1.46 -0.17 1.70 -1.94 0.10 -0.47 119.30 118.24 1nu9 s MET 106 Ca 0.17 -0.24 -0.16 0.00 -1.71 0.00 0.00 55.69 53.75 1nu9 s MET 106 Cb -0.11 -1.51 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 1nu9 s MET 106 CO 0.08 -0.24 0.38 0.21 -0.01 0.00 0.00 175.02 175.45 1nu9 s LYS 107 N 1.61 4.23 0.58 2.03 2.20 0.28 -0.90 119.74 129.78 1nu9 s LYS 107 Ca 0.03 0.22 -0.15 0.00 -0.36 0.00 0.00 55.97 55.71 1nu9 s LYS 107 Cb -0.13 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1nu9 s LYS 107 CO -0.07 0.08 1.04 -0.51 -0.36 0.00 0.00 175.35 175.53 1nu9 s LEU 108 N 0.92 3.48 0.12 5.43 1.43 -0.46 0.53 118.68 130.13 1nu9 s LEU 108 Ca 0.20 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.89 1nu9 s LEU 108 Cb -0.14 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.47 1nu9 s LEU 108 CO 0.07 -1.02 1.41 0.11 0.23 0.00 0.00 176.35 177.16 1nu9 h LYS 109 N 0.42 0.86 -5.23 1.70 1.79 -1.78 -3.39 116.57 110.93 1nu9 h LYS 109 Ca -0.46 -0.52 -0.37 0.00 -2.18 0.00 0.00 60.65 57.11 1nu9 h LYS 109 Cb 1.21 0.05 -0.17 0.00 -1.58 0.00 0.00 32.23 31.73 1nu9 h LYS 109 CO 0.59 1.16 -0.74 -1.59 -1.08 0.00 0.00 179.45 177.78 1nu9 s LYS 110 N -4.20 0.99 0.54 3.15 -2.85 -1.26 -4.99 119.74 111.12 1nu9 s LYS 110 Ca -0.11 -1.26 -0.20 0.00 -1.00 0.00 0.00 55.97 53.40 1nu9 s LYS 110 Cb 0.10 -0.76 -0.06 0.00 -2.06 0.00 0.00 37.83 35.05 1nu9 s LYS 110 CO 0.88 0.13 1.14 -1.25 0.10 0.00 0.00 175.35 176.35 1nu9 s PRO 111 N -2.90 3.36 0.08 1.78 0.04 -1.26 -4.87 135.00 131.23 1nu9 s PRO 111 Ca 0.09 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1nu9 s PRO 111 Cb -0.03 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1nu9 s PRO 111 CO 0.02 -0.86 0.26 0.14 0.04 0.00 0.00 177.00 176.60 1nu9 s VAL 112 N -1.72 5.33 0.08 -0.36 -7.23 0.22 -5.01 120.40 111.71 1nu9 s VAL 112 Ca 0.72 -0.25 -0.18 0.00 -1.81 0.00 0.00 61.98 60.47 1nu9 s VAL 112 Cb -0.25 -3.62 -0.07 0.00 0.56 0.00 0.00 36.38 33.00 1nu9 s VAL 112 CO 0.28 0.12 0.55 0.00 -0.31 0.00 0.00 175.10 175.75 1nu9 s ALA 113 N -1.54 3.60 0.66 1.32 0.00 -1.26 -4.75 121.76 119.79 1nu9 s ALA 113 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 1nu9 s ALA 113 Cb -0.13 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1nu9 s ALA 113 CO 0.26 0.42 1.05 -0.06 0.00 0.00 0.00 175.76 177.43 1nu9 s PHE 114 N -1.19 3.21 0.00 0.00 0.08 -1.26 -4.88 117.98 113.94 1nu9 s PHE 114 Ca 0.30 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1nu9 s PHE 114 Cb -0.18 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.41 1nu9 s PHE 114 CO 0.18 -1.08 0.00 -1.13 -0.10 0.00 0.00 175.22 173.09 1nu9 n SER 115 N -2.89 0.00 0.26 1.36 3.41 -0.11 -4.93 113.62 110.72 1nu9 n SER 115 Ca 0.07 -0.95 0.17 0.00 -0.26 0.00 0.00 58.87 57.91 1nu9 n SER 115 Cb 0.54 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.24 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 -1.96 -3.09 116.42 118.73 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 -0.41 -1.22 -1.72 0.00 0.00 179.24 175.89 1nu9 n TYR 117 N -2.90 0.00 -3.87 4.55 4.01 -1.26 -4.33 117.16 113.37 1nu9 n TYR 117 Ca 0.00 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1nu9 n TYR 117 Cb 0.23 0.00 -0.17 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 -1.83 0.88 -0.16 -0.72 1.01 -1.17 -4.11 121.20 115.11 1nu9 s ILE 118 Ca 0.05 -0.26 -0.25 0.00 0.00 0.00 0.00 60.65 60.19 1nu9 s ILE 118 Cb 0.08 -0.97 0.06 0.00 0.01 0.00 0.00 42.46 41.65 1nu9 s ILE 118 CO 0.38 0.29 0.64 -2.28 0.00 0.00 0.00 174.94 173.98 1nu9 s HIS 119 N 1.76 -0.66 0.50 3.97 2.46 -0.54 -0.94 115.29 121.84 1nu9 s HIS 119 Ca 0.04 1.43 -0.13 0.00 0.47 0.00 0.00 55.06 56.88 1nu9 s HIS 119 Cb -0.13 0.30 -0.06 0.00 -0.13 0.00 0.00 32.58 32.56 1nu9 s HIS 119 CO -0.08 -0.45 0.92 -1.25 -2.47 0.00 0.00 174.74 171.41 1nu9 s PRO 120 N -0.34 3.79 0.16 2.88 0.04 -1.26 -2.71 135.00 137.57 1nu9 s PRO 120 Ca -0.05 0.71 0.02 0.00 0.04 0.00 0.00 61.00 61.72 1nu9 s PRO 120 Cb -0.03 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1nu9 s PRO 120 CO 0.05 -0.26 0.31 0.54 0.04 0.00 0.00 177.00 177.67 1nu9 s VAL 121 N -2.68 5.30 0.37 -0.36 0.11 -0.89 -1.42 120.40 120.83 1nu9 s VAL 121 Ca 0.55 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.81 1nu9 s VAL 121 Cb -0.10 -3.75 -0.08 0.00 -1.53 0.00 0.00 36.38 30.92 1nu9 s VAL 121 CO 0.37 -0.12 0.77 0.00 -3.33 0.00 0.00 175.10 172.79 1nu9 s LEU 123 N -3.42 4.06 0.48 0.00 1.43 -1.26 -0.58 118.68 119.39 1nu9 s LEU 123 Ca 0.53 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.71 1nu9 s LEU 123 Cb -0.10 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.62 1nu9 s LEU 123 CO 0.24 0.25 0.89 -2.16 0.23 0.00 0.00 176.35 175.80 1nu9 s PRO 124 N -1.91 3.80 0.60 1.29 0.04 -1.26 -4.90 135.00 132.65 1nu9 s PRO 124 Ca 0.26 0.67 0.07 0.00 0.04 0.00 0.00 61.00 62.04 1nu9 s PRO 124 Cb -0.12 -2.25 0.09 0.00 0.04 0.00 0.00 34.50 32.26 1nu9 s PRO 124 CO 0.17 -0.21 0.83 0.16 0.04 0.00 0.00 177.00 177.98 1nu9 s ASP 125 N -3.35 4.95 0.22 6.66 3.84 -1.26 -4.70 116.67 123.03 1nu9 s ASP 125 Ca 0.54 -0.72 -0.09 0.00 -0.00 0.00 0.00 52.55 52.29 1nu9 s ASP 125 Cb -0.10 0.19 0.35 0.00 -1.38 0.00 0.00 42.92 41.97 1nu9 s ASP 125 CO 0.36 -1.44 1.67 -0.09 -0.00 0.00 0.00 175.17 175.67 1nu9 h ARG 126 N 0.03 0.17 0.00 2.11 2.43 -1.98 -2.52 114.38 114.62 1nu9 h ARG 126 Ca -0.32 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.70 1nu9 h ARG 126 Cb 1.28 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1nu9 h ARG 126 CO 0.41 0.11 -0.69 1.49 -1.51 0.00 0.00 179.97 179.78 1nu9 h GLU 127 N 0.17 0.00 -1.47 0.20 4.57 -2.04 -1.65 114.58 114.36 1nu9 h GLU 127 Ca 0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1nu9 h GLU 127 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1nu9 h GLU 127 CO -0.52 0.69 0.00 2.41 -1.18 0.00 0.00 179.01 180.41 1nu9 n THR 128 N -3.37 0.56 0.00 0.32 -1.04 -0.95 -1.34 114.28 108.47 1nu9 n THR 128 Ca 0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nu9 n THR 128 Cb 0.77 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.76 0.00 -0.01 2.41 0.00 -0.62 -1.46 120.51 121.59 1nu9 n ALA 129 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1nu9 n ALA 129 Cb 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.60 1nu9 n ALA 129 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nu9 n SER 129 N 0.00 0.86 -0.01 0.00 3.41 -0.45 -4.36 113.62 113.07 1nu9 n SER 129 Ca 0.00 0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1nu9 n SER 129 Cb 0.00 0.01 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 1nu9 n SER 129 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1nu9 h LEU 129 N 0.00 0.08 -6.75 1.04 4.07 -1.48 -3.41 115.31 108.86 1nu9 h LEU 129 Ca -0.25 -0.18 -0.75 0.00 0.08 0.00 0.00 57.88 56.78 1nu9 h LEU 129 Cb 1.89 -0.03 -0.15 0.00 1.08 0.00 0.00 40.66 43.46 1nu9 h LEU 129 CO 0.07 1.16 1.94 0.18 -1.08 0.00 0.00 178.44 180.71 1nu9 n LEU 130 N -3.13 6.29 -4.32 1.67 4.77 -1.26 -4.86 117.00 116.16 1nu9 n LEU 130 Ca -0.19 -4.55 -0.30 0.00 -0.03 0.00 0.00 56.01 50.94 1nu9 n LEU 130 Cb 1.05 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.46 1nu9 n LEU 130 CO 0.45 1.18 -0.56 -1.10 -1.33 0.00 0.00 177.39 176.02 1nu9 s GLN 131 N 0.92 1.90 0.24 3.23 -0.21 -1.26 -4.92 119.66 119.57 1nu9 s GLN 131 Ca 0.41 -1.00 -0.29 0.00 0.02 0.00 0.00 55.36 54.50 1nu9 s GLN 131 Cb 0.07 -1.96 -0.15 0.00 1.00 0.00 0.00 33.01 31.97 1nu9 s GLN 131 CO 0.00 0.52 0.88 0.00 -2.12 0.00 0.00 175.29 174.57 1nu9 n ALA 132 N 2.11 -1.15 0.00 6.09 0.00 -1.26 -1.47 120.51 124.83 1nu9 n ALA 132 Ca -0.16 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1nu9 n ALA 132 Cb 0.52 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.55 2.80 3.77 0.00 0.00 0.09 -4.93 105.19 108.45 1nu9 n GLY 133 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.61 3.13 -0.07 1.61 1.51 -0.54 -4.65 117.35 116.73 1nu9 s TYR 134 Ca 0.00 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.55 1nu9 s TYR 134 Cb 0.00 -3.51 -0.04 0.00 -0.11 0.00 0.00 41.96 38.30 1nu9 s TYR 134 CO 0.00 -1.45 0.07 0.15 -1.11 0.00 0.00 175.55 173.21 1nu9 s LYS 135 N -1.94 3.16 0.28 -0.62 1.02 -1.26 -0.56 119.74 119.83 1nu9 s LYS 135 Ca 0.51 -0.34 0.00 0.00 0.02 0.00 0.00 55.97 56.17 1nu9 s LYS 135 Cb -0.35 -2.94 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1nu9 s LYS 135 CO 0.46 0.71 0.02 0.41 -0.92 0.00 0.00 175.35 176.02 1nu9 n GLY 136 N 1.77 3.79 3.11 -3.33 0.00 0.17 -4.85 105.19 105.84 1nu9 n GLY 136 Ca -0.17 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.36 1nu9 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nu9 s ARG 137 N -3.02 1.33 -0.01 1.61 3.52 0.84 -1.31 118.95 121.91 1nu9 s ARG 137 Ca 0.02 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 1nu9 s ARG 137 Cb 0.00 -1.23 -0.02 0.00 -1.56 0.00 0.00 34.95 32.14 1nu9 s ARG 137 CO 0.02 0.27 -0.23 0.08 -0.81 0.00 0.00 175.30 174.63 1nu9 s VAL 138 N -0.17 1.82 0.09 7.11 1.01 -0.04 -0.64 120.40 129.58 1nu9 s VAL 138 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.02 1nu9 s VAL 138 Cb -0.08 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1nu9 s VAL 138 CO 0.00 0.50 -0.08 0.42 0.00 0.00 0.00 175.10 175.94 1nu9 s THR 139 N -0.56 0.75 0.00 3.92 -4.23 -1.24 -1.38 115.64 112.90 1nu9 s THR 139 Ca 0.09 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.91 1nu9 s THR 139 Cb -0.09 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1nu9 s THR 139 CO -0.01 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 1nu9 n GLY 140 N 0.41 1.91 1.33 3.99 0.00 -0.54 -4.56 105.19 107.73 1nu9 n GLY 140 Ca -0.15 -0.94 0.08 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.72 1.36 -0.97 1.61 8.01 -1.26 -1.21 117.44 124.26 1nu9 n TRP 141 Ca 0.00 -0.72 -0.24 0.00 -1.31 0.00 0.00 57.50 55.23 1nu9 n TRP 141 Cb 0.00 -0.32 0.20 0.00 -2.01 0.00 0.00 31.31 29.17 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 0.35 -2.64 3.66 6.99 0.00 -1.26 -4.47 105.19 107.82 1nu9 n GLY 142 Ca 0.23 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.43 1.93 0.05 1.61 3.02 -0.08 -4.45 115.26 112.91 1nu9 n ASN 143 Ca 0.12 1.04 0.13 0.00 -0.03 0.00 0.00 54.58 55.84 1nu9 n ASN 143 Cb 0.46 -1.44 0.45 0.00 -0.61 0.00 0.00 39.78 38.64 1nu9 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nu9 n LEU 144 N 0.12 0.48 -3.53 3.41 4.77 -0.09 -4.59 117.00 117.57 1nu9 n LEU 144 Ca 0.09 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1nu9 n LEU 144 Cb 0.41 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1nu9 n LEU 144 CO 0.57 -0.08 0.73 -0.75 -1.33 0.00 0.00 177.39 176.53 1nu9 s LYS 145 N -3.06 0.73 0.60 3.23 2.20 -1.26 -5.11 119.74 117.07 1nu9 s LYS 145 Ca 0.12 -0.17 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 1nu9 s LYS 145 Cb 0.15 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.78 1nu9 s LYS 145 CO 0.59 -0.30 1.08 -2.00 -0.36 0.00 0.00 175.35 174.36 1nu9 s GLU 146 N -2.55 3.20 0.26 4.03 2.12 -1.26 -4.90 118.70 119.60 1nu9 s GLU 146 Ca 0.03 1.30 0.10 0.00 0.36 0.00 0.00 54.97 56.76 1nu9 s GLU 146 Cb -0.01 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.32 1nu9 s GLU 146 CO -0.06 -0.92 -0.17 0.95 -0.54 0.00 0.00 175.26 174.53 1nu9 s THR 147 N -2.34 2.18 -0.03 -1.70 -4.23 -1.26 -5.03 115.64 103.21 1nu9 s THR 147 Ca 0.65 -2.31 0.31 0.00 -1.18 0.00 0.00 61.69 59.16 1nu9 s THR 147 Cb -0.18 -2.26 0.34 0.00 1.34 0.00 0.00 72.50 71.75 1nu9 s THR 147 CO 0.37 -0.44 1.92 4.11 -0.54 0.00 0.00 174.62 180.04 1nu9 h TRP 148 N 2.34 0.00 -3.58 3.99 5.08 -1.99 -3.42 115.95 118.36 1nu9 h TRP 148 Ca -0.40 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.40 1nu9 h TRP 148 Cb 1.25 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 27.17 1nu9 h TRP 148 CO 0.77 0.00 -0.58 -0.08 -1.28 0.00 0.00 178.44 177.27 1nu9 s THR 149 N -3.61 0.05 0.29 0.12 -1.32 -1.26 -5.02 115.64 104.88 1nu9 s THR 149 Ca 0.01 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 60.13 1nu9 s THR 149 Cb 0.09 -0.26 0.29 0.00 -1.51 0.00 0.00 72.50 71.11 1nu9 s THR 149 CO 0.46 -0.21 1.85 0.00 -2.21 0.00 0.00 174.62 174.51 1nu9 h ALA 149 N 5.22 1.53 0.00 11.08 0.00 -1.97 -1.82 119.26 133.30 1nu9 h ALA 149 Ca -0.28 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1nu9 h ALA 149 Cb 1.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nu9 h ALA 149 CO 0.43 0.25 -0.11 -0.91 0.00 0.00 0.00 179.25 178.90 1nu9 h ASN 149 N 1.00 0.00 -0.97 0.00 -0.26 -1.97 -2.91 115.58 110.47 1nu9 h ASN 149 Ca 0.47 0.00 0.27 0.00 -0.56 0.00 0.00 56.30 56.48 1nu9 h ASN 149 Cb 0.43 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.56 1nu9 h ASN 149 CO -0.24 0.11 0.52 0.58 -1.06 0.00 0.00 177.43 177.35 1nu9 h VAL 149 N 0.00 0.42 0.00 2.81 2.07 -1.73 -3.46 116.25 116.37 1nu9 h VAL 149 Ca -0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1nu9 h VAL 149 Cb 0.33 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1nu9 h VAL 149 CO 0.01 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.29 1nu9 n GLY 149 N -1.31 0.50 3.30 2.17 0.00 -1.10 -4.98 105.19 103.77 1nu9 n GLY 149 Ca 0.27 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 3.29 -0.62 1.61 1.02 -1.26 -4.94 119.74 118.85 1nu9 s LYS 149 Ca 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 1nu9 s LYS 149 Cb 0.00 -2.70 0.16 0.00 -0.52 0.00 0.00 37.83 34.77 1nu9 s LYS 149 CO 0.00 0.03 0.48 0.20 -0.92 0.00 0.00 175.35 175.14 1nu9 s GLY 150 N 0.81 2.40 0.08 -3.33 0.00 -1.26 -5.07 107.32 100.95 1nu9 s GLY 150 Ca -0.04 -3.05 0.04 0.00 0.00 0.00 0.00 44.72 41.66 1nu9 s GLY 150 CO 0.00 1.13 0.03 1.20 0.00 0.00 0.00 173.10 175.47 1nu9 s GLN 151 N 0.41 2.69 0.72 2.90 -0.21 -1.26 -0.92 119.66 123.99 1nu9 s GLN 151 Ca 0.14 -0.77 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1nu9 s GLN 151 Cb -0.20 -2.62 0.02 0.00 1.00 0.00 0.00 33.01 31.21 1nu9 s GLN 151 CO -0.04 0.55 1.10 -1.25 -2.12 0.00 0.00 175.29 173.54 1nu9 s PRO 152 N -2.32 2.78 -0.19 2.91 0.04 -1.26 -4.99 135.00 131.96 1nu9 s PRO 152 Ca 0.27 0.44 0.04 0.00 0.04 0.00 0.00 61.00 61.79 1nu9 s PRO 152 Cb -0.12 -2.01 -0.22 0.00 0.04 0.00 0.00 34.50 32.19 1nu9 s PRO 152 CO 0.20 -1.09 0.07 -1.13 0.04 0.00 0.00 177.00 175.09 1nu9 n SER 153 N -3.04 1.48 -4.81 6.66 3.41 -1.26 -4.81 113.62 111.26 1nu9 n SER 153 Ca 0.07 0.03 -0.35 0.00 -0.26 0.00 0.00 58.87 58.36 1nu9 n SER 153 Cb 0.57 -0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 -2.53 5.00 0.13 -3.33 1.01 -1.26 -0.56 120.40 118.85 1nu9 s VAL 154 Ca -0.23 -0.11 -0.34 0.00 0.00 0.00 0.00 61.98 61.30 1nu9 s VAL 154 Cb 0.08 -3.21 -0.17 0.00 0.00 0.00 0.00 36.38 33.08 1nu9 s VAL 154 CO 0.71 0.51 0.96 -0.11 0.00 0.00 0.00 175.10 177.18 1nu9 n LEU 155 N 1.68 0.35 -4.78 3.92 7.94 -0.82 -4.76 117.00 120.54 1nu9 n LEU 155 Ca -0.17 1.14 -0.32 0.00 -1.11 0.00 0.00 56.01 55.56 1nu9 n LEU 155 Cb 0.54 -1.06 -0.07 0.00 0.53 0.00 0.00 43.42 43.36 1nu9 n LEU 155 CO 0.34 -1.92 -0.26 -1.10 -1.11 0.00 0.00 177.39 173.34 1nu9 s GLN 156 N -0.46 2.99 -0.01 1.96 -1.52 -0.35 -0.54 119.66 121.73 1nu9 s GLN 156 Ca 0.76 -0.56 0.01 0.00 -1.95 0.00 0.00 55.36 53.62 1nu9 s GLN 156 Cb -0.99 -2.80 -0.00 0.00 -0.22 0.00 0.00 33.01 29.00 1nu9 s GLN 156 CO 0.55 0.62 -0.05 0.54 -0.25 0.00 0.00 175.29 176.70 1nu9 s VAL 157 N -1.26 0.39 0.00 1.09 0.11 0.02 -1.47 120.40 119.29 1nu9 s VAL 157 Ca 0.25 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1nu9 s VAL 157 Cb -0.12 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1nu9 s VAL 157 CO 0.17 0.12 -0.01 0.54 -3.33 0.00 0.00 175.10 172.59 1nu9 s VAL 158 N 0.01 0.09 -0.13 2.04 0.11 -0.48 -4.69 120.40 117.35 1nu9 s VAL 158 Ca 0.00 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.85 1nu9 s VAL 158 Cb -0.03 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1nu9 s VAL 158 CO -0.00 -0.04 0.02 0.20 -3.33 0.00 0.00 175.10 171.95 1nu9 s ASN 159 N -0.22 5.35 0.02 3.54 0.01 -1.26 -0.86 114.94 121.53 1nu9 s ASN 159 Ca -0.02 0.10 -0.02 0.00 -0.71 0.00 0.00 52.86 52.21 1nu9 s ASN 159 Cb -0.02 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.90 1nu9 s ASN 159 CO -0.00 0.28 0.00 -0.76 -1.51 0.00 0.00 177.10 175.11 1nu9 s LEU 160 N -0.27 2.13 0.16 0.60 1.43 -0.43 -4.95 118.68 117.35 1nu9 s LEU 160 Ca 0.07 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1nu9 s LEU 160 Cb -0.12 0.23 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 1nu9 s LEU 160 CO 0.02 -0.35 0.57 -2.16 0.23 0.00 0.00 176.35 174.65 1nu9 s PRO 161 N -1.77 3.99 0.34 1.29 0.04 -1.26 -0.66 135.00 136.98 1nu9 s PRO 161 Ca -0.13 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 1nu9 s PRO 161 Cb -0.07 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.48 1nu9 s PRO 161 CO -0.02 0.45 1.17 0.42 0.04 0.00 0.00 177.00 179.06 1nu9 s ILE 162 N -1.51 3.20 0.13 0.56 1.09 0.28 -0.98 121.20 123.99 1nu9 s ILE 162 Ca 0.39 1.12 0.08 0.00 -1.10 0.00 0.00 60.65 61.13 1nu9 s ILE 162 Cb -0.15 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1nu9 s ILE 162 CO 0.19 0.19 -0.08 0.68 -0.10 0.00 0.00 174.94 175.82 1nu9 s VAL 163 N -1.28 3.38 0.40 2.92 -7.23 -0.77 -0.74 120.40 117.08 1nu9 s VAL 163 Ca 0.51 -1.39 -0.27 0.00 -1.81 0.00 0.00 61.98 59.02 1nu9 s VAL 163 Cb -0.33 -2.62 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 1nu9 s VAL 163 CO 0.42 0.02 1.47 -1.84 -0.31 0.00 0.00 175.10 174.86 1nu9 n GLU 164 N 0.41 2.56 -0.24 4.82 0.00 -1.26 -4.66 120.64 122.27 1nu9 n GLU 164 Ca -0.12 0.90 0.05 0.00 0.00 0.00 0.00 57.16 57.99 1nu9 n GLU 164 Cb 0.53 -2.66 0.17 0.00 0.00 0.00 0.00 31.44 29.48 1nu9 n GLU 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nu9 h ARG 165 N 2.76 0.21 -0.57 3.44 3.08 -1.98 -0.19 114.38 121.13 1nu9 h ARG 165 Ca -0.51 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.61 1nu9 h ARG 165 Cb 1.25 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.22 1nu9 h ARG 165 CO 0.63 0.14 0.38 -1.35 -1.07 0.00 0.00 179.97 178.70 1nu9 h PRO 166 N 0.22 0.43 -0.13 0.04 0.11 -1.99 0.88 132.00 131.56 1nu9 h PRO 166 Ca 0.40 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.26 1nu9 h PRO 166 Cb 0.69 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1nu9 h PRO 166 CO -0.53 0.28 -0.80 0.28 -0.21 0.00 0.00 178.00 177.02 1nu9 h VAL 167 N 0.44 1.29 -0.15 3.15 2.07 -1.42 -1.21 116.25 120.43 1nu9 h VAL 167 Ca 0.26 -2.03 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1nu9 h VAL 167 Cb 0.43 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1nu9 h VAL 167 CO -0.07 0.64 0.05 0.00 0.02 0.00 0.00 177.57 178.20 1nu9 h LYS 169 N 0.12 0.86 0.00 0.00 3.64 -0.83 -2.82 116.57 117.54 1nu9 h LYS 169 Ca 0.06 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 1nu9 h LYS 169 Cb 0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1nu9 h LYS 169 CO -0.07 0.72 -0.35 -0.44 -2.27 0.00 0.00 179.45 177.05 1nu9 h ASP 170 N 0.85 0.00 0.82 4.20 3.45 -0.85 -3.25 116.42 121.64 1nu9 h ASP 170 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 1nu9 h ASP 170 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1nu9 h ASP 170 CO -0.01 0.35 0.00 -1.54 -1.57 0.00 0.00 179.24 176.46 1nu9 n SER 171 N -3.25 0.57 -3.89 6.45 3.41 -0.42 -4.85 113.62 111.64 1nu9 n SER 171 Ca 0.02 0.62 -0.09 0.00 -0.26 0.00 0.00 58.87 59.16 1nu9 n SER 171 Cb 0.62 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1nu9 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1nu9 s THR 172 N -3.23 0.15 -1.97 6.66 -1.32 -1.23 -4.84 115.64 109.86 1nu9 s THR 172 Ca 0.06 -1.24 0.24 0.00 -1.21 0.00 0.00 61.69 59.54 1nu9 s THR 172 Cb 0.10 -1.30 0.13 0.00 -1.51 0.00 0.00 72.50 69.93 1nu9 s THR 172 CO 0.41 -0.69 1.32 0.54 -2.21 0.00 0.00 174.62 173.99 1nu9 n ARG 173 N 0.09 1.12 -2.52 7.08 1.74 -1.26 -4.86 116.66 118.04 1nu9 n ARG 173 Ca -0.15 -0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 55.69 1nu9 n ARG 173 Cb 0.62 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 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 -2.45 4.05 -0.44 0.55 1.01 -1.26 -4.94 121.20 117.71 1nu9 s ILE 174 Ca 0.22 1.64 -0.27 0.00 0.00 0.00 0.00 60.65 62.23 1nu9 s ILE 174 Cb 0.19 -4.05 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1nu9 s ILE 174 CO 0.53 0.22 1.90 -0.60 0.00 0.00 0.00 174.94 176.99 1nu9 s ARG 175 N 0.20 2.94 0.66 2.79 3.52 -1.26 -4.99 118.95 122.81 1nu9 s ARG 175 Ca 0.52 1.15 -0.11 0.00 -0.13 0.00 0.00 55.73 57.16 1nu9 s ARG 175 Cb -0.28 -4.31 -0.02 0.00 -1.56 0.00 0.00 34.95 28.78 1nu9 s ARG 175 CO 0.32 -2.33 1.05 0.96 -0.81 0.00 0.00 175.30 174.50 1nu9 s ILE 176 N 8.28 4.24 0.28 4.11 -4.36 -1.26 -4.83 121.20 127.66 1nu9 s ILE 176 Ca 0.78 0.73 0.02 0.00 -0.26 0.00 0.00 60.65 61.92 1nu9 s ILE 176 Cb -0.19 -3.69 -0.05 0.00 1.25 0.00 0.00 42.46 39.78 1nu9 s ILE 176 CO 0.28 -0.95 0.10 0.42 0.24 0.00 0.00 174.94 175.03 1nu9 s THR 177 N -3.22 0.59 -1.58 8.37 -4.23 -1.26 -5.02 115.64 109.29 1nu9 s THR 177 Ca 0.56 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.24 1nu9 s THR 177 Cb -0.11 -2.62 0.34 0.00 1.34 0.00 0.00 72.50 71.45 1nu9 s THR 177 CO 0.53 0.00 1.46 0.47 -0.54 0.00 0.00 174.62 176.55 1nu9 n ASP 178 N -0.61 0.00 -0.81 3.99 8.00 -1.26 -1.98 116.55 123.88 1nu9 n ASP 178 Ca -0.00 -0.11 0.07 0.00 0.71 0.00 0.00 54.79 55.46 1nu9 n ASP 178 Cb 0.66 -0.21 0.19 0.00 -0.02 0.00 0.00 41.12 41.74 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 -1.21 2.35 -4.36 -2.24 3.02 -1.26 -4.88 115.26 106.68 1nu9 n ASN 179 Ca 0.09 -2.01 -0.18 0.00 -0.03 0.00 0.00 54.58 52.45 1nu9 n ASN 179 Cb 0.11 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.43 1.47 0.00 3.52 -1.94 -0.84 -0.48 119.30 119.60 1nu9 s MET 180 Ca 0.29 -1.79 -0.25 0.00 -1.71 0.00 0.00 55.69 52.22 1nu9 s MET 180 Cb 0.15 -0.50 0.06 0.00 2.01 0.00 0.00 34.83 36.55 1nu9 s MET 180 CO 0.19 -0.23 0.57 -0.59 -0.01 0.00 0.00 175.02 174.95 1nu9 s PHE 181 N -3.56 -0.50 0.21 -0.03 -0.12 -0.74 -4.77 117.98 108.47 1nu9 s PHE 181 Ca 0.36 0.73 0.10 0.00 -0.05 0.00 0.00 56.93 58.07 1nu9 s PHE 181 Cb 0.08 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1nu9 s PHE 181 CO 0.13 -0.61 -0.16 0.00 -0.05 0.00 0.00 175.22 174.53 1nu9 s ALA 183 N -1.88 0.25 0.00 0.00 0.00 -0.73 -1.85 121.76 117.54 1nu9 s ALA 183 Ca 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1nu9 s ALA 183 Cb -0.08 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1nu9 s ALA 183 CO 0.13 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1nu9 n GLY 184 N 0.10 4.01 3.83 0.00 0.00 -0.15 -2.11 105.19 110.87 1nu9 n GLY 184 Ca -0.15 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.08 3.38 0.53 1.61 2.02 -1.26 -4.53 117.35 117.02 1nu9 s TYR 184 Ca 0.00 1.45 -0.12 0.00 -0.37 0.00 0.00 57.07 58.03 1nu9 s TYR 184 Cb 0.00 -2.71 -0.06 0.00 -0.40 0.00 0.00 41.96 38.79 1nu9 s TYR 184 CO 0.00 0.02 0.94 0.15 -1.57 0.00 0.00 175.55 175.09 1nu9 s LYS 185 N -2.96 3.73 0.23 -0.62 1.02 -1.26 -4.78 119.74 115.09 1nu9 s LYS 185 Ca 0.57 0.69 -0.11 0.00 0.02 0.00 0.00 55.97 57.14 1nu9 s LYS 185 Cb -0.11 -2.19 0.32 0.00 -0.52 0.00 0.00 37.83 35.33 1nu9 s LYS 185 CO 0.16 -0.33 1.63 -1.35 -0.92 0.00 0.00 175.35 174.53 1nu9 h PRO 186 N 0.41 0.04 0.00 -1.68 0.11 -1.95 0.26 132.00 129.19 1nu9 h PRO 186 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nu9 h PRO 186 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1nu9 h PRO 186 CO 0.62 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1nu9 n ASP 186 N -5.40 0.00 -4.82 -2.05 5.68 -1.26 -4.77 116.55 103.93 1nu9 n ASP 186 Ca 0.10 -0.73 -0.26 0.00 -0.50 0.00 0.00 54.79 53.40 1nu9 n ASP 186 Cb 0.39 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.32 1nu9 n ASP 186 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1nu9 s GLU 186 N -2.00 2.98 0.02 0.11 2.02 0.08 -5.06 118.70 116.84 1nu9 s GLU 186 Ca 0.13 -0.82 -0.12 0.00 0.02 0.00 0.00 54.97 54.19 1nu9 s GLU 186 Cb 0.06 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.53 1nu9 s GLU 186 CO 0.10 0.49 1.09 0.78 0.02 0.00 0.00 175.26 177.74 1nu9 h GLY 186 N 2.41 -0.43 -1.17 -1.39 0.00 -1.86 -3.46 103.07 97.16 1nu9 h GLY 186 Ca -0.48 0.16 -0.48 0.00 0.00 0.00 0.00 47.33 46.54 1nu9 h GLY 186 CO 0.64 -0.16 0.12 0.54 0.00 0.00 0.00 176.54 177.69 1nu9 s LYS 186 N -3.75 0.08 0.37 4.80 3.01 -1.26 -5.05 119.74 117.94 1nu9 s LYS 186 Ca -0.06 1.13 0.02 0.00 -1.01 0.00 0.00 55.97 56.05 1nu9 s LYS 186 Cb 0.01 -1.65 -0.01 0.00 -1.01 0.00 0.00 37.83 35.17 1nu9 s LYS 186 CO 0.18 -3.13 0.08 0.54 0.51 0.00 0.00 175.35 173.53 1nu9 n ARG 187 N -4.54 0.74 0.00 1.68 1.74 -1.26 -4.74 116.66 110.28 1nu9 n ARG 187 Ca 0.07 -2.99 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 1nu9 n ARG 187 Cb 0.53 1.34 0.00 0.00 -1.02 0.00 0.00 32.46 33.32 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 -0.25 4.68 3.74 -0.13 0.00 -1.26 -4.91 105.19 107.07 1nu9 n GLY 188 Ca -0.09 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.11 0.46 1.61 2.15 -1.26 -4.61 116.67 114.91 1nu9 s ASP 189 Ca 0.00 -0.36 0.00 0.00 0.43 0.00 0.00 52.55 52.63 1nu9 s ASP 189 Cb 0.00 0.38 0.00 0.00 -0.30 0.00 0.00 42.92 43.00 1nu9 s ASP 189 CO 0.00 -0.71 0.69 0.00 -0.17 0.00 0.00 175.17 174.97 1nu9 s ALA 190 N -2.83 3.77 0.08 3.66 0.00 -1.26 -4.96 121.76 120.23 1nu9 s ALA 190 Ca 0.15 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1nu9 s ALA 190 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1nu9 s ALA 190 CO 0.01 -0.42 0.11 0.00 0.00 0.00 0.00 175.76 175.46 1nu9 n GLU 192 N -0.14 1.40 -0.07 0.00 1.02 -1.26 -1.12 120.64 120.46 1nu9 n GLU 192 Ca 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1nu9 n GLU 192 Cb 0.14 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1nu9 n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nu9 n GLY 193 N 2.24 1.58 0.13 0.62 0.00 -1.26 -0.90 105.19 107.59 1nu9 n GLY 193 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.08 1.61 3.32 -1.45 -3.33 116.42 115.49 1nu9 h ASP 194 Ca 0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.39 1nu9 h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1nu9 h ASP 194 CO 0.00 0.14 -0.58 -1.20 -1.72 0.00 0.00 179.24 175.88 1nu9 n SER 195 N -2.82 -1.45 0.00 6.45 7.64 -1.26 -1.04 113.62 121.14 1nu9 n SER 195 Ca -0.01 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1nu9 n SER 195 Cb 0.61 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 2.02 3.03 3.74 0.23 0.00 0.05 -1.12 105.19 113.14 1nu9 n GLY 196 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.77 1.69 0.17 -0.02 0.00 -0.20 -3.06 107.32 104.12 1nu9 s GLY 197 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.92 1nu9 s GLY 197 CO 0.00 0.75 0.66 2.56 0.00 0.00 0.00 173.10 177.07 1nu9 s PRO 198 N -4.81 4.20 -0.39 2.90 0.04 -1.26 -1.14 135.00 134.55 1nu9 s PRO 198 Ca 0.63 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.36 1nu9 s PRO 198 Cb -0.19 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.42 1nu9 s PRO 198 CO 0.56 0.47 0.21 0.12 0.04 0.00 0.00 177.00 178.41 1nu9 s PHE 199 N -1.40 3.30 0.22 0.56 2.19 0.22 -3.71 117.98 119.36 1nu9 s PHE 199 Ca 0.39 -1.38 0.07 0.00 0.33 0.00 0.00 56.93 56.34 1nu9 s PHE 199 Cb -0.17 -2.67 -0.04 0.00 -1.31 0.00 0.00 43.02 38.83 1nu9 s PHE 199 CO 0.21 -0.77 0.12 0.14 1.83 0.00 0.00 175.22 176.74 1nu9 s VAL 200 N 1.45 4.16 -0.04 3.12 -7.23 0.18 -0.68 120.40 121.37 1nu9 s VAL 200 Ca 0.02 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1nu9 s VAL 200 Cb -0.21 -3.20 0.02 0.00 0.56 0.00 0.00 36.38 33.55 1nu9 s VAL 200 CO 0.03 -0.27 0.08 -0.04 -0.31 0.00 0.00 175.10 174.60 1nu9 s MET 201 N -3.52 0.07 -0.20 4.82 -1.94 -0.17 -0.11 119.30 118.25 1nu9 s MET 201 Ca 0.31 0.18 -0.18 0.00 -1.71 0.00 0.00 55.69 54.29 1nu9 s MET 201 Cb -0.08 -0.05 -0.03 0.00 2.01 0.00 0.00 34.83 36.67 1nu9 s MET 201 CO 0.23 -0.07 0.49 0.21 -0.01 0.00 0.00 175.02 175.87 1nu9 s LYS 202 N 0.45 4.18 -0.04 2.03 2.20 -1.26 -0.43 119.74 126.88 1nu9 s LYS 202 Ca -0.03 0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 55.67 1nu9 s LYS 202 Cb -0.05 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 1nu9 s LYS 202 CO -0.02 -0.13 0.87 0.45 -0.36 0.00 0.00 175.35 176.16 1nu9 s SER 203 N 1.14 7.20 0.50 1.43 0.15 -0.17 -4.93 113.70 119.03 1nu9 s SER 203 Ca 0.23 1.45 0.28 0.00 0.70 0.00 0.00 55.95 58.62 1nu9 s SER 203 Cb -0.15 -2.50 1.23 0.00 -1.71 0.00 0.00 66.02 62.89 1nu9 s SER 203 CO 0.09 -0.22 1.95 1.55 1.20 0.00 0.00 173.24 177.81 1nu9 h PRO 204 N 6.83 0.00 -0.25 5.44 0.13 -1.97 0.18 132.00 142.36 1nu9 h PRO 204 Ca -0.40 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 1nu9 h PRO 204 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1nu9 h PRO 204 CO 0.76 0.13 -0.51 0.35 -0.23 0.00 0.00 178.00 178.50 1nu9 h PHE 204 N 0.00 0.89 0.00 1.56 3.04 -1.97 -3.38 116.94 117.07 1nu9 h PHE 204 Ca -0.00 -0.30 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1nu9 h PHE 204 Cb 0.56 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1nu9 h PHE 204 CO 0.00 1.08 0.00 0.27 -2.02 0.00 0.00 178.31 177.64 1nu9 n ASN 204 N -3.99 0.46 -1.24 0.41 0.23 -1.19 -5.02 115.26 104.91 1nu9 n ASN 204 Ca -0.03 -1.17 -0.15 0.00 -0.53 0.00 0.00 54.58 52.70 1nu9 n ASN 204 Cb 0.60 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 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 -0.09 -4.70 -4.72 0.53 4.05 0.63 -4.99 115.26 105.96 1nu9 n ASN 205 Ca 0.00 0.28 -0.31 0.00 0.45 0.00 0.00 54.58 55.01 1nu9 n ASN 205 Cb 0.33 -3.57 -0.07 0.00 1.23 0.00 0.00 39.78 37.70 1nu9 n ASN 205 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1nu9 s ARG 206 N -3.55 2.75 -0.03 1.20 0.52 -1.24 -4.81 118.95 113.78 1nu9 s ARG 206 Ca 0.00 -0.72 -0.21 0.00 -0.52 0.00 0.00 55.73 54.28 1nu9 s ARG 206 Cb 0.00 -2.65 -0.05 0.00 0.52 0.00 0.00 34.95 32.77 1nu9 s ARG 206 CO 0.00 0.57 0.60 -1.58 0.02 0.00 0.00 175.30 174.91 1nu9 s TRP 207 N -1.29 3.63 -0.01 -0.53 0.52 -0.68 -1.00 118.94 119.59 1nu9 s TRP 207 Ca 0.26 1.16 0.08 0.00 0.02 0.00 0.00 56.10 57.62 1nu9 s TRP 207 Cb -0.12 -2.64 -0.02 0.00 -1.15 0.00 0.00 33.47 29.54 1nu9 s TRP 207 CO 0.18 0.27 -0.25 0.71 0.02 0.00 0.00 176.95 177.87 1nu9 s TYR 208 N 0.14 2.35 -0.52 -1.98 1.51 0.43 -2.19 117.35 117.09 1nu9 s TYR 208 Ca 0.32 -0.42 -0.20 0.00 -1.01 0.00 0.00 57.07 55.75 1nu9 s TYR 208 Cb -0.18 -1.49 0.06 0.00 -0.11 0.00 0.00 41.96 40.24 1nu9 s TYR 208 CO 0.16 -0.00 0.71 -1.14 -1.11 0.00 0.00 175.55 174.17 1nu9 s GLN 209 N -0.72 3.17 0.22 -0.62 0.74 0.25 -0.99 119.66 121.70 1nu9 s GLN 209 Ca 0.10 -0.74 0.20 0.00 0.05 0.00 0.00 55.36 54.96 1nu9 s GLN 209 Cb -0.10 -4.09 0.03 0.00 1.10 0.00 0.00 33.01 29.95 1nu9 s GLN 209 CO -0.00 -1.30 1.16 0.52 -0.55 0.00 0.00 175.29 175.11 1nu9 h MET 210 N 9.08 0.00 -3.53 1.67 2.86 -1.23 -3.39 114.93 120.40 1nu9 h MET 210 Ca -0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1nu9 h MET 210 Cb 1.09 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 1nu9 h MET 210 CO 1.00 0.18 -0.02 0.20 1.06 0.00 0.00 176.91 179.33 1nu9 s GLY 211 N -4.48 0.56 -0.09 8.32 0.00 -0.83 -1.56 107.32 109.25 1nu9 s GLY 211 Ca 0.01 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.88 1nu9 s GLY 211 CO 0.77 -0.55 -0.16 -0.42 0.00 0.00 0.00 173.10 172.73 1nu9 s ILE 212 N -3.61 1.51 -0.01 0.90 1.01 -0.77 -0.61 121.20 119.62 1nu9 s ILE 212 Ca 0.21 -0.68 -0.33 0.00 0.00 0.00 0.00 60.65 59.84 1nu9 s ILE 212 Cb -0.02 -1.35 -0.12 0.00 0.01 0.00 0.00 42.46 40.98 1nu9 s ILE 212 CO 0.11 0.44 1.84 0.52 0.00 0.00 0.00 174.94 177.84 1nu9 n VAL 213 N 3.86 0.48 0.05 2.92 0.31 -0.29 -0.50 118.33 125.16 1nu9 n VAL 213 Ca -0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1nu9 n VAL 213 Cb 0.52 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 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 6.09 0.92 -3.44 4.52 2.88 -0.60 -0.77 113.62 123.21 1nu9 n SER 214 Ca 0.21 0.14 -0.09 0.00 -1.33 0.00 0.00 58.87 57.80 1nu9 n SER 214 Cb 0.32 -0.26 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -2.00 0.21 0.00 0.66 1.48 -0.79 -4.92 118.94 113.58 1nu9 s TRP 215 Ca 0.00 -0.70 0.00 0.00 -1.06 0.00 0.00 56.10 54.34 1nu9 s TRP 215 Cb 0.00 0.55 0.00 0.00 -1.16 0.00 0.00 33.47 32.86 1nu9 s TRP 215 CO 0.00 -1.31 0.00 0.41 -4.06 0.00 0.00 176.95 171.99 1nu9 n GLY 216 N -0.49 -0.68 3.08 3.67 0.00 -1.26 0.93 105.19 110.44 1nu9 n GLY 216 Ca -0.04 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 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 2.44 2.94 1.61 2.02 -1.26 -4.99 118.70 119.45 1nu9 s GLU 217 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 53.83 1nu9 s GLU 217 Cb 0.00 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.47 1nu9 s GLU 217 CO 0.00 -0.45 0.00 0.41 0.02 0.00 0.00 175.26 175.24 1nu9 n GLY 219 N 4.51 0.10 3.08 -1.39 0.00 -1.26 -4.64 105.19 105.59 1nu9 n GLY 219 Ca -0.16 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 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 4.47 -5.62 -4.74 0.00 2.03 -1.26 -4.35 116.55 107.07 1nu9 n ASP 221 Ca -0.21 0.04 -0.40 0.00 0.52 0.00 0.00 54.79 54.73 1nu9 n ASP 221 Cb 0.53 -4.68 -0.05 0.00 -0.72 0.00 0.00 41.12 36.20 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 -4.84 4.79 0.42 -0.67 0.52 -1.26 -4.93 118.95 112.98 1nu9 s ARG 221 Ca 0.00 1.50 -0.26 0.00 -0.52 0.00 0.00 55.73 56.45 1nu9 s ARG 221 Cb 0.00 -3.31 -0.09 0.00 0.52 0.00 0.00 34.95 32.07 1nu9 s ARG 221 CO 0.00 0.39 1.39 -0.51 0.02 0.00 0.00 175.30 176.58 1nu9 s ASP 222 N -0.74 6.12 0.00 0.23 1.01 -1.26 -2.16 116.67 119.88 1nu9 s ASP 222 Ca 0.43 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.53 1nu9 s ASP 222 Cb -0.26 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1nu9 s ASP 222 CO 0.32 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 175.31 1nu9 n GLY 223 N 0.60 0.32 3.33 0.21 0.00 -1.26 -5.00 105.19 103.39 1nu9 n GLY 223 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.74 1.41 0.05 1.61 2.47 -0.92 -4.73 119.74 118.90 1nu9 s LYS 224 Ca 0.00 -1.17 0.03 0.00 -1.56 0.00 0.00 55.97 53.27 1nu9 s LYS 224 Cb 0.00 -1.71 -0.02 0.00 -1.46 0.00 0.00 37.83 34.64 1nu9 s LYS 224 CO 0.00 0.42 -0.10 0.71 0.16 0.00 0.00 175.35 176.54 1nu9 s TYR 225 N -0.98 0.86 0.32 4.03 2.02 -1.26 -4.73 117.35 117.61 1nu9 s TYR 225 Ca 0.10 -0.47 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 1nu9 s TYR 225 Cb -0.10 -0.50 -0.09 0.00 -0.40 0.00 0.00 41.96 40.87 1nu9 s TYR 225 CO 0.04 -0.03 1.02 0.20 -1.57 0.00 0.00 175.55 175.21 1nu9 s GLY 226 N -1.56 2.91 -0.07 0.71 0.00 -0.90 -4.62 107.32 103.79 1nu9 s GLY 226 Ca -0.07 0.71 -0.01 0.00 0.00 0.00 0.00 44.72 45.35 1nu9 s GLY 226 CO 0.01 1.22 -0.01 -1.36 0.00 0.00 0.00 173.10 172.96 1nu9 s PHE 227 N -1.43 3.12 0.05 1.90 0.40 0.26 -1.78 117.98 120.51 1nu9 s PHE 227 Ca 0.49 0.16 0.07 0.00 -0.60 0.00 0.00 56.93 57.05 1nu9 s PHE 227 Cb -0.25 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 1nu9 s PHE 227 CO 0.31 0.45 -0.20 0.71 0.70 0.00 0.00 175.22 177.19 1nu9 s TYR 228 N -0.90 1.75 0.02 0.36 1.51 0.47 -1.56 117.35 119.01 1nu9 s TYR 228 Ca 0.14 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1nu9 s TYR 228 Cb -0.11 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.65 1nu9 s TYR 228 CO 0.03 0.10 1.20 0.99 -1.11 0.00 0.00 175.55 176.76 1nu9 s THR 229 N -0.85 4.10 -0.61 -0.71 2.01 0.35 -1.79 115.64 118.15 1nu9 s THR 229 Ca 0.07 1.49 -0.28 0.00 0.31 0.00 0.00 61.69 63.28 1nu9 s THR 229 Cb -0.09 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.48 1nu9 s THR 229 CO 0.02 0.08 1.39 -2.28 -0.69 0.00 0.00 174.62 173.13 1nu9 s HIS 230 N 1.47 2.27 0.09 4.92 2.46 0.37 -1.85 115.29 125.03 1nu9 s HIS 230 Ca 0.58 0.36 -0.24 0.00 0.47 0.00 0.00 55.06 56.23 1nu9 s HIS 230 Cb -0.28 -4.44 -0.14 0.00 -0.13 0.00 0.00 32.58 27.59 1nu9 s HIS 230 CO 0.27 -1.98 1.72 0.28 -2.47 0.00 0.00 174.74 172.56 1nu9 h VAL 231 N 6.31 0.86 -0.89 0.89 2.07 -1.57 -2.98 116.25 120.93 1nu9 h VAL 231 Ca -0.27 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.37 1nu9 h VAL 231 Cb 1.08 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 1nu9 h VAL 231 CO 1.21 0.00 0.52 0.15 0.02 0.00 0.00 177.57 179.46 1nu9 h PHE 232 N -0.16 0.93 0.00 1.57 3.57 -1.84 0.10 116.94 121.11 1nu9 h PHE 232 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1nu9 h PHE 232 Cb 0.14 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1nu9 h PHE 232 CO -0.09 0.33 0.00 0.00 -2.23 0.00 0.00 178.31 176.32 1nu9 h ARG 233 N 0.81 0.00 -0.18 1.11 2.47 -1.89 -2.18 114.38 114.51 1nu9 h ARG 233 Ca 0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1nu9 h ARG 233 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.82 1nu9 h ARG 233 CO -0.29 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.52 1nu9 n LEU 234 N -2.82 2.60 0.23 3.04 4.77 0.28 -4.72 117.00 120.37 1nu9 n LEU 234 Ca -0.02 -2.15 0.08 0.00 -0.03 0.00 0.00 56.01 53.89 1nu9 n LEU 234 Cb 0.10 -0.18 0.57 0.00 -2.33 0.00 0.00 43.42 41.58 1nu9 n LEU 234 CO 0.18 0.63 0.89 0.50 -1.33 0.00 0.00 177.39 178.26 1nu9 h LYS 235 N 1.07 0.00 -0.41 3.23 3.64 -0.70 -2.20 116.57 121.20 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 0.71 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1nu9 h LYS 235 CO 0.02 0.20 -0.03 0.87 -2.27 0.00 0.00 179.45 178.24 1nu9 h LYS 236 N 0.00 0.74 -0.29 1.90 1.57 -1.85 0.35 116.57 119.00 1nu9 h LYS 236 Ca -0.00 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1nu9 h LYS 236 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1nu9 h LYS 236 CO 0.03 0.84 0.15 2.35 -0.57 0.00 0.00 179.45 182.25 1nu9 h TRP 237 N 0.57 0.40 -0.17 -1.35 7.01 -1.82 -0.97 115.95 119.62 1nu9 h TRP 237 Ca 0.11 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.14 1nu9 h TRP 237 Cb 0.52 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.42 1nu9 h TRP 237 CO 0.04 0.33 -0.09 0.82 -2.79 0.00 0.00 178.44 176.76 1nu9 h ILE 238 N 0.34 0.73 -0.66 2.65 2.04 -1.17 -1.10 117.51 120.33 1nu9 h ILE 238 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1nu9 h ILE 238 Cb 0.07 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1nu9 h ILE 238 CO -0.02 0.00 0.43 1.56 0.00 0.00 0.00 178.15 180.12 1nu9 h GLN 239 N -0.07 0.84 -0.55 2.37 4.20 -0.79 -1.68 115.11 119.44 1nu9 h GLN 239 Ca 0.09 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1nu9 h GLN 239 Cb 0.21 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1nu9 h GLN 239 CO -0.22 0.55 0.32 0.87 -0.67 0.00 0.00 178.83 179.69 1nu9 h LYS 240 N 0.86 0.75 0.46 1.46 1.57 -0.73 -0.96 116.57 119.98 1nu9 h LYS 240 Ca 0.25 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1nu9 h LYS 240 Cb -0.06 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.10 1nu9 h LYS 240 CO -0.07 0.55 -0.22 0.28 -0.57 0.00 0.00 179.45 179.42 1nu9 h VAL 241 N 0.73 0.54 -0.55 0.50 2.07 -0.88 -0.28 116.25 118.38 1nu9 h VAL 241 Ca 0.19 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.68 1nu9 h VAL 241 Cb 0.01 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1nu9 h VAL 241 CO -0.03 0.02 0.37 0.40 0.02 0.00 0.00 177.57 178.34 1nu9 h ILE 242 N -0.67 1.01 0.02 4.57 5.03 -1.20 -1.40 117.51 124.86 1nu9 h ILE 242 Ca -0.06 -0.19 -0.21 0.00 -0.12 0.00 0.00 64.86 64.28 1nu9 h ILE 242 Cb 0.50 0.41 -0.01 0.00 -3.03 0.00 0.00 36.82 34.69 1nu9 h ILE 242 CO 0.10 0.10 -0.93 0.44 -0.68 0.00 0.00 178.15 177.19 1nu9 h ASP 243 N 0.55 0.22 0.80 1.72 3.45 -0.92 -1.31 116.42 120.94 1nu9 h ASP 243 Ca 0.24 -0.19 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1nu9 h ASP 243 Cb 0.23 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1nu9 h ASP 243 CO -0.07 1.03 -0.91 1.67 -1.57 0.00 0.00 179.24 179.40 1nu9 n GLN 244 N -3.60 0.43 0.00 3.56 7.27 -0.14 -4.44 117.38 120.47 1nu9 n GLN 244 Ca -0.03 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.11 1nu9 n GLN 244 Cb 0.85 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.77 1nu9 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1nu9 n PHE 245 N -2.32 0.00 0.00 3.69 3.72 -0.55 -5.09 117.46 116.91 1nu9 n PHE 245 Ca 0.01 -0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1nu9 n PHE 245 Cb 0.49 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1nu9 n PHE 245 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12