#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ey1 s LEU 7 N 0.00 3.52 0.02 -5.58 1.43 -1.26 -5.06 118.68 111.75 2ey1 s LEU 7 Ca 0.00 2.19 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 2ey1 s LEU 7 Cb 0.00 -4.58 -0.01 0.00 0.03 0.00 0.00 46.19 41.63 2ey1 s LEU 7 CO 0.00 -1.64 -0.06 -1.38 0.23 0.00 0.00 176.35 173.50 2ey1 s HIS 8 N -1.98 0.55 0.24 0.29 -3.43 -1.26 -5.13 115.29 104.57 2ey1 s HIS 8 Ca 0.72 -0.32 -0.24 0.00 -0.80 0.00 0.00 55.06 54.42 2ey1 s HIS 8 Cb -0.25 -0.34 -0.09 0.00 -1.43 0.00 0.00 32.58 30.48 2ey1 s HIS 8 CO 0.37 -0.05 0.82 0.15 -2.00 0.00 0.00 174.74 174.03 2ey1 s LYS 9 N -0.93 4.50 0.08 -0.38 1.02 -1.26 -4.38 119.74 118.38 2ey1 s LYS 9 Ca -0.05 1.15 0.05 0.00 0.02 0.00 0.00 55.97 57.14 2ey1 s LYS 9 Cb -0.06 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 2ey1 s LYS 9 CO 0.00 0.43 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.50 2ey1 s GLU 10 N -1.68 0.86 0.52 1.68 2.02 0.03 -4.93 118.70 117.19 2ey1 s GLU 10 Ca 0.43 -1.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.22 2ey1 s GLU 10 Cb -0.20 -0.85 -0.07 0.00 0.10 0.00 0.00 34.13 33.11 2ey1 s GLU 10 CO 0.24 0.18 1.05 -1.25 0.02 0.00 0.00 175.26 175.51 2ey1 s PRO 11 N -1.89 3.65 0.18 0.39 0.04 -1.26 0.11 135.00 136.21 2ey1 s PRO 11 Ca -0.00 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2ey1 s PRO 11 Cb -0.09 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 2ey1 s PRO 11 CO 0.02 -0.55 0.35 0.00 0.04 0.00 0.00 177.00 176.86 2ey1 s ALA 12 N -2.09 -0.20 -0.06 8.56 0.00 -0.93 -4.62 121.76 122.42 2ey1 s ALA 12 Ca 0.67 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2ey1 s ALA 12 Cb -0.17 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.85 2ey1 s ALA 12 CO 0.25 -0.70 -0.14 0.99 0.00 0.00 0.00 175.76 176.16 2ey1 s THR 13 N -3.96 1.22 0.21 0.00 2.01 -0.70 -4.24 115.64 110.18 2ey1 s THR 13 Ca 0.16 -0.55 -0.32 0.00 0.31 0.00 0.00 61.69 61.29 2ey1 s THR 13 Cb 0.02 -1.09 -0.12 0.00 0.01 0.00 0.00 72.50 71.33 2ey1 s THR 13 CO 0.01 0.37 1.69 -0.22 -0.69 0.00 0.00 174.62 175.77 2ey1 s LEU 14 N 0.44 4.37 -0.18 4.42 2.96 -1.26 -0.02 118.68 129.42 2ey1 s LEU 14 Ca -0.11 2.85 -0.13 0.00 -0.22 0.00 0.00 54.13 56.52 2ey1 s LEU 14 Cb -0.14 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 2ey1 s LEU 14 CO 0.03 -0.95 -0.29 -0.38 -1.32 0.00 0.00 176.35 173.44 2ey1 n ILE 15 N 3.78 1.36 -3.63 6.68 5.41 -0.51 -4.79 119.36 127.66 2ey1 n ILE 15 Ca 0.15 -0.05 -0.12 0.00 1.00 0.00 0.00 62.75 63.73 2ey1 n ILE 15 Cb 0.36 -2.02 -0.07 0.00 -0.71 0.00 0.00 39.64 37.20 2ey1 n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2ey1 s LYS 16 N -2.59 0.75 0.03 0.38 2.20 -0.63 -5.01 119.74 114.87 2ey1 s LYS 16 Ca -0.28 0.97 -0.23 0.00 -0.36 0.00 0.00 55.97 56.07 2ey1 s LYS 16 Cb 0.08 0.33 -0.06 0.00 -1.51 0.00 0.00 37.83 36.67 2ey1 s LYS 16 CO 0.38 -0.10 0.69 0.00 -0.36 0.00 0.00 175.35 175.96 2ey1 s ALA 17 N 0.61 3.43 -0.18 3.13 0.00 -1.26 -0.78 121.76 126.70 2ey1 s ALA 17 Ca -0.02 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2ey1 s ALA 17 Cb -0.05 -2.88 -0.12 0.00 0.00 0.00 0.00 23.12 20.07 2ey1 s ALA 17 CO -0.04 0.12 -0.15 -0.89 0.00 0.00 0.00 175.76 174.80 2ey1 n ILE 18 N 2.69 1.05 -3.46 0.00 5.41 -0.54 -4.95 119.36 119.56 2ey1 n ILE 18 Ca -0.05 -0.41 -0.05 0.00 1.00 0.00 0.00 62.75 63.25 2ey1 n ILE 18 Cb 0.50 -1.13 0.01 0.00 -0.71 0.00 0.00 39.64 38.31 2ey1 n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2ey1 n ASP 19 N -3.02 -1.12 -0.16 4.38 -0.08 -0.88 -4.97 116.55 110.71 2ey1 n ASP 19 Ca -0.32 -1.84 0.09 0.00 -1.51 0.00 0.00 54.79 51.21 2ey1 n ASP 19 Cb 0.85 1.88 0.41 0.00 2.34 0.00 0.00 41.12 46.60 2ey1 n ASP 19 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ey1 h GLY 20 N 1.02 0.85 -0.30 0.27 0.00 -1.83 -3.18 103.07 99.90 2ey1 h GLY 20 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2ey1 h GLY 20 CO 0.21 0.16 0.00 2.09 0.00 0.00 0.00 176.54 179.00 2ey1 n ASP 21 N -4.49 1.81 -3.95 0.19 5.75 -1.26 -4.77 116.55 109.83 2ey1 n ASP 21 Ca 0.11 -1.61 -0.20 0.00 -0.01 0.00 0.00 54.79 53.08 2ey1 n ASP 21 Cb 0.32 -0.03 -0.16 0.00 -1.03 0.00 0.00 41.12 40.21 2ey1 n ASP 21 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2ey1 s VAL 22 N -0.67 0.64 -0.01 2.12 1.01 -1.20 -1.24 120.40 121.06 2ey1 s VAL 22 Ca 0.05 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2ey1 s VAL 22 Cb 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2ey1 s VAL 22 CO 0.04 0.23 -0.03 -0.69 0.00 0.00 0.00 175.10 174.65 2ey1 s VAL 23 N 0.51 0.24 -0.20 2.92 1.01 -0.84 -1.47 120.40 122.58 2ey1 s VAL 23 Ca -0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 2ey1 s VAL 23 Cb -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 2ey1 s VAL 23 CO 0.01 0.08 0.35 -0.54 0.00 0.00 0.00 175.10 175.00 2ey1 s LYS 24 N 0.10 4.17 0.12 2.72 1.02 0.04 -0.23 119.74 127.68 2ey1 s LYS 24 Ca -0.01 0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.17 2ey1 s LYS 24 Cb -0.03 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 2ey1 s LYS 24 CO -0.00 0.01 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.75 2ey1 s LEU 25 N 1.16 2.36 -0.39 3.17 1.43 0.07 -1.42 118.68 125.06 2ey1 s LEU 25 Ca 0.17 -0.76 -0.24 0.00 -1.03 0.00 0.00 54.13 52.27 2ey1 s LEU 25 Cb -0.14 -0.74 0.02 0.00 0.03 0.00 0.00 46.19 45.35 2ey1 s LEU 25 CO 0.07 -0.04 0.84 -0.32 0.23 0.00 0.00 176.35 177.14 2ey1 s MET 26 N -2.34 3.71 -0.13 1.70 -2.45 0.97 -0.81 119.30 119.96 2ey1 s MET 26 Ca 0.09 0.32 0.00 0.00 -1.25 0.00 0.00 55.69 54.85 2ey1 s MET 26 Cb -0.07 -3.84 0.02 0.00 1.25 0.00 0.00 34.83 32.19 2ey1 s MET 26 CO 0.04 -0.96 -0.12 -0.47 1.05 0.00 0.00 175.02 174.57 2ey1 s TYR 27 N 3.32 1.85 -1.53 4.11 5.04 0.56 -1.72 117.35 128.98 2ey1 s TYR 27 Ca 0.34 -0.97 -0.06 0.00 -2.44 0.00 0.00 57.07 53.94 2ey1 s TYR 27 Cb -0.12 -1.41 0.05 0.00 0.35 0.00 0.00 41.96 40.83 2ey1 s TYR 27 CO 0.19 -0.57 0.45 1.63 -1.34 0.00 0.00 175.55 175.91 2ey1 n LYS 28 N 4.73 -2.74 -0.99 4.97 5.02 -1.26 -1.34 118.16 126.54 2ey1 n LYS 28 Ca -0.16 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2ey1 n LYS 28 Cb 0.50 -4.52 0.00 0.00 -0.02 0.00 0.00 35.03 30.99 2ey1 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ey1 n GLY 29 N -1.90 0.51 3.12 0.72 0.00 -1.26 -5.02 105.19 101.37 2ey1 n GLY 29 Ca -0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 2ey1 n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ey1 s GLN 30 N -0.17 2.25 0.15 1.61 2.00 -0.45 -5.10 119.66 119.94 2ey1 s GLN 30 Ca 0.00 -0.64 -0.31 0.00 -2.00 0.00 0.00 55.36 52.41 2ey1 s GLN 30 Cb 0.00 -1.79 -0.08 0.00 0.80 0.00 0.00 33.01 31.93 2ey1 s GLN 30 CO 0.00 0.13 1.38 -1.25 -0.50 0.00 0.00 175.29 175.06 2ey1 s PRO 31 N 0.40 4.33 -0.05 1.67 0.04 -1.26 -0.32 135.00 139.82 2ey1 s PRO 31 Ca -0.14 2.11 -0.09 0.00 0.04 0.00 0.00 61.00 62.92 2ey1 s PRO 31 Cb -0.16 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.18 2ey1 s PRO 31 CO 0.05 -0.40 0.22 1.41 0.04 0.00 0.00 177.00 178.33 2ey1 s MET 32 N 0.65 0.41 -0.08 4.56 1.75 0.01 -4.93 119.30 121.66 2ey1 s MET 32 Ca 0.62 0.01 -0.18 0.00 -1.25 0.00 0.00 55.69 54.89 2ey1 s MET 32 Cb -0.38 0.18 -0.05 0.00 2.84 0.00 0.00 34.83 37.43 2ey1 s MET 32 CO 0.34 -0.09 0.47 0.99 -0.65 0.00 0.00 175.02 176.08 2ey1 s THR 33 N -0.60 5.11 -0.06 10.11 2.01 -1.26 -0.76 115.64 130.19 2ey1 s THR 33 Ca -0.07 0.96 0.05 0.00 0.31 0.00 0.00 61.69 62.93 2ey1 s THR 33 Cb -0.04 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.65 2ey1 s THR 33 CO 0.01 0.40 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.78 2ey1 s PHE 34 N 0.13 2.56 -0.20 4.92 0.40 0.68 -0.92 117.98 125.56 2ey1 s PHE 34 Ca 0.26 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 2ey1 s PHE 34 Cb -0.16 -1.64 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 2ey1 s PHE 34 CO 0.12 -0.09 0.06 0.50 0.70 0.00 0.00 175.22 176.50 2ey1 s ARG 35 N -0.28 3.87 0.07 0.44 6.06 0.40 -1.98 118.95 127.55 2ey1 s ARG 35 Ca 0.01 -0.39 -0.31 0.00 -2.50 0.00 0.00 55.73 52.54 2ey1 s ARG 35 Cb -0.13 -3.21 -0.08 0.00 0.06 0.00 0.00 34.95 31.59 2ey1 s ARG 35 CO 0.03 0.16 1.54 -0.51 -2.50 0.00 0.00 175.30 174.02 2ey1 s LEU 36 N 0.67 4.36 0.39 -0.88 1.43 -0.37 -2.87 118.68 121.40 2ey1 s LEU 36 Ca 0.03 2.40 -0.27 0.00 -1.03 0.00 0.00 54.13 55.26 2ey1 s LEU 36 Cb -0.13 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 2ey1 s LEU 36 CO 0.02 -0.81 1.30 -0.76 0.23 0.00 0.00 176.35 176.33 2ey1 s LEU 37 N 2.14 4.26 -0.01 1.79 1.43 -0.18 -3.85 118.68 124.25 2ey1 s LEU 37 Ca 0.70 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.45 2ey1 s LEU 37 Cb -0.38 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 41.99 2ey1 s LEU 37 CO 0.30 -0.78 0.00 0.18 0.23 0.00 0.00 176.35 176.28 2ey1 n LEU 38 N 0.27 0.45 -4.10 1.79 4.77 -1.26 -4.89 117.00 114.03 2ey1 n LEU 38 Ca 0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.83 2ey1 n LEU 38 Cb 0.43 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 2ey1 n LEU 38 CO 0.56 -0.46 -0.45 0.68 -1.33 0.00 0.00 177.39 176.39 2ey1 s VAL 39 N -1.55 0.92 -0.22 4.08 -7.23 -1.25 -0.26 120.40 114.90 2ey1 s VAL 39 Ca 0.00 -0.84 -0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2ey1 s VAL 39 Cb 0.00 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 2ey1 s VAL 39 CO 0.00 0.01 -0.07 -1.81 -0.31 0.00 0.00 175.10 172.92 2ey1 s ASP 40 N -0.94 4.11 0.13 4.85 1.01 0.22 -4.79 116.67 121.27 2ey1 s ASP 40 Ca 0.00 -0.47 -0.00 0.00 0.71 0.00 0.00 52.55 52.79 2ey1 s ASP 40 Cb -0.07 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 2ey1 s ASP 40 CO 0.01 -0.03 0.30 0.42 0.21 0.00 0.00 175.17 176.08 2ey1 s THR 41 N 1.44 5.29 0.62 -1.27 -4.23 -1.26 -1.10 115.64 115.13 2ey1 s THR 41 Ca 0.05 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.96 2ey1 s THR 41 Cb -0.14 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2ey1 s THR 41 CO -0.05 -0.02 1.27 -2.16 -0.54 0.00 0.00 174.62 173.12 2ey1 s PRO 42 N -2.96 2.73 0.28 3.99 0.04 -1.26 -4.95 135.00 132.87 2ey1 s PRO 42 Ca 0.37 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.52 2ey1 s PRO 42 Cb -0.12 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2ey1 s PRO 42 CO 0.28 -1.45 -0.08 -1.21 0.04 0.00 0.00 177.00 174.58 2ey1 s GLU 43 N -3.32 2.03 -0.08 4.56 2.02 -1.26 -4.36 118.70 118.29 2ey1 s GLU 43 Ca 0.80 -1.59 0.19 0.00 0.02 0.00 0.00 54.97 54.39 2ey1 s GLU 43 Cb -0.36 -1.98 -0.29 0.00 0.10 0.00 0.00 34.13 31.60 2ey1 s GLU 43 CO 0.38 0.33 0.32 0.25 0.02 0.00 0.00 175.26 176.56 2ey1 n THR 44 N -0.79 0.41 -2.45 3.63 -2.24 -1.25 -0.17 114.28 111.42 2ey1 n THR 44 Ca -0.06 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.86 2ey1 n THR 44 Cb 0.60 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2ey1 n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2ey1 n LYS 45 N -2.36 3.35 -2.50 -0.78 5.02 -1.22 -3.52 118.16 116.15 2ey1 n LYS 45 Ca -0.12 -4.39 -0.42 0.00 -2.02 0.00 0.00 58.31 51.36 2ey1 n LYS 45 Cb 0.72 -2.26 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 2ey1 n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2ey1 s HIS 46 N -3.64 3.53 0.13 2.13 2.46 -0.36 -4.90 115.29 114.64 2ey1 s HIS 46 Ca 0.49 1.47 -0.26 0.00 0.47 0.00 0.00 55.06 57.23 2ey1 s HIS 46 Cb 0.39 -3.32 -0.03 0.00 -0.13 0.00 0.00 32.58 29.49 2ey1 s HIS 46 CO -0.22 -0.83 1.61 -1.35 -2.47 0.00 0.00 174.74 171.48 2ey1 h PRO 47 N 6.13 -0.40 0.01 2.88 0.11 -1.96 -0.74 132.00 138.03 2ey1 h PRO 47 Ca -0.43 0.03 -0.30 0.00 0.11 0.00 0.00 66.00 65.41 2ey1 h PRO 47 Cb 1.21 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 2ey1 h PRO 47 CO 0.77 -0.26 -1.78 1.63 -0.21 0.00 0.00 178.00 178.15 2ey1 n LYS 48 N -5.41 0.64 -0.08 1.05 5.02 -1.26 -4.60 118.16 113.53 2ey1 n LYS 48 Ca -0.04 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.40 2ey1 n LYS 48 Cb 0.32 -1.77 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 2ey1 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2ey1 n LYS 49 N -3.05 0.68 0.00 1.97 3.00 -1.20 -5.08 118.16 114.47 2ey1 n LYS 49 Ca -0.19 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2ey1 n LYS 49 Cb 1.06 -1.59 0.00 0.00 0.00 0.00 0.00 35.03 34.50 2ey1 n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ey1 n GLY 50 N 1.86 1.46 3.38 3.14 0.00 -0.29 -4.76 105.19 109.98 2ey1 n GLY 50 Ca -0.33 -0.76 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 2ey1 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ey1 s VAL 51 N 0.00 4.82 0.76 1.61 1.01 -1.23 -1.23 120.40 126.14 2ey1 s VAL 51 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 2ey1 s VAL 51 Cb 0.00 -4.52 0.06 0.00 0.00 0.00 0.00 36.38 31.92 2ey1 s VAL 51 CO 0.00 -1.16 1.12 -1.61 0.00 0.00 0.00 175.10 173.45 2ey1 s GLU 52 N 2.67 2.21 0.10 2.72 2.02 0.76 -4.94 118.70 124.24 2ey1 s GLU 52 Ca 0.13 0.10 -0.31 0.00 0.02 0.00 0.00 54.97 54.92 2ey1 s GLU 52 Cb -0.22 -2.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.89 2ey1 s GLU 52 CO 0.05 -1.39 1.88 0.21 0.02 0.00 0.00 175.26 176.03 2ey1 s LYS 53 N -5.45 4.14 0.00 1.61 2.20 -1.26 -1.38 119.74 119.59 2ey1 s LYS 53 Ca 0.61 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.82 2ey1 s LYS 53 Cb -0.11 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2ey1 s LYS 53 CO 0.48 -0.88 0.00 0.66 -0.36 0.00 0.00 175.35 175.25 2ey1 n TYR 54 N 6.27 0.00 0.18 4.03 4.01 -1.26 -4.81 117.16 125.58 2ey1 n TYR 54 Ca 0.18 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.78 2ey1 n TYR 54 Cb 0.39 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 39.27 2ey1 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2ey1 h GLY 55 N 0.00 -0.59 1.22 2.72 0.00 -1.42 0.18 103.07 105.18 2ey1 h GLY 55 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2ey1 h GLY 55 CO 0.00 -0.24 0.50 -2.55 0.00 0.00 0.00 176.54 174.26 2ey1 h PRO 56 N -0.56 1.04 -0.03 4.80 0.11 -1.87 -0.58 132.00 134.91 2ey1 h PRO 56 Ca -0.01 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2ey1 h PRO 56 Cb 0.51 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2ey1 h PRO 56 CO -0.05 0.70 0.01 0.93 -0.21 0.00 0.00 178.00 179.38 2ey1 h GLU 57 N 1.07 0.04 -0.75 1.05 3.07 -1.88 0.14 114.58 117.32 2ey1 h GLU 57 Ca 0.29 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 2ey1 h GLU 57 Cb -0.10 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 2ey1 h GLU 57 CO -0.06 0.21 0.48 0.00 -1.40 0.00 0.00 179.01 178.25 2ey1 h ALA 58 N 0.83 0.95 -0.60 3.43 0.00 -0.46 -1.71 119.26 121.69 2ey1 h ALA 58 Ca 0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2ey1 h ALA 58 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2ey1 h ALA 58 CO -0.00 0.38 0.00 1.03 0.00 0.00 0.00 179.25 180.66 2ey1 h SER 59 N 1.02 1.03 0.08 0.00 0.87 -0.97 -2.32 113.55 113.27 2ey1 h SER 59 Ca 0.27 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 2ey1 h SER 59 Cb -0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.57 2ey1 h SER 59 CO -0.06 1.08 -0.28 0.00 -0.53 0.00 0.00 176.83 177.05 2ey1 h ALA 60 N 1.02 1.22 0.01 6.23 0.00 -0.39 -2.59 119.26 124.76 2ey1 h ALA 60 Ca 0.17 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ey1 h ALA 60 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2ey1 h ALA 60 CO 0.03 0.51 -0.00 0.35 0.00 0.00 0.00 179.25 180.14 2ey1 h PHE 61 N 0.28 -0.01 -0.57 0.00 3.04 -1.00 -1.29 116.94 117.39 2ey1 h PHE 61 Ca 0.04 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.02 2ey1 h PHE 61 Cb 0.64 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.12 2ey1 h PHE 61 CO 0.01 0.23 0.34 1.15 -2.02 0.00 0.00 178.31 178.02 2ey1 h THR 62 N -0.25 1.06 0.04 4.41 2.02 -1.43 -1.91 112.91 116.85 2ey1 h THR 62 Ca -0.00 -0.23 0.01 0.00 0.77 0.00 0.00 66.41 66.95 2ey1 h THR 62 Cb 0.24 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2ey1 h THR 62 CO 0.00 0.12 -0.06 0.50 0.37 0.00 0.00 175.52 176.45 2ey1 h LYS 63 N 0.68 -0.13 -0.66 6.66 3.64 -1.30 -1.07 116.57 124.38 2ey1 h LYS 63 Ca 0.23 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2ey1 h LYS 63 Cb 0.03 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 2ey1 h LYS 63 CO -0.10 -0.08 0.43 0.87 -2.27 0.00 0.00 179.45 178.30 2ey1 h LYS 64 N -0.13 0.84 -0.51 1.90 1.79 -1.15 0.20 116.57 119.51 2ey1 h LYS 64 Ca 0.01 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2ey1 h LYS 64 Cb 0.14 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 2ey1 h LYS 64 CO -0.04 0.56 0.32 1.98 -1.08 0.00 0.00 179.45 181.19 2ey1 h MET 65 N 0.87 0.68 0.02 3.15 4.05 -1.07 -1.67 114.93 120.96 2ey1 h MET 65 Ca 0.25 -0.05 -0.24 0.00 -0.28 0.00 0.00 59.70 59.37 2ey1 h MET 65 Cb -0.06 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.56 2ey1 h MET 65 CO -0.07 0.48 -1.23 -0.39 0.23 0.00 0.00 176.91 175.93 2ey1 h VAL 66 N 0.68 1.45 -0.07 -5.77 -1.51 -0.93 -3.20 116.25 106.90 2ey1 h VAL 66 Ca 0.18 -3.17 -0.12 0.00 -1.23 0.00 0.00 66.70 62.36 2ey1 h VAL 66 Cb -0.03 2.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 2ey1 h VAL 66 CO -0.04 0.84 -0.51 -0.33 -1.23 0.00 0.00 177.57 176.31 2ey1 h GLU 67 N 0.01 0.18 -0.26 5.19 5.08 -0.48 -3.08 114.58 121.22 2ey1 h GLU 67 Ca -0.10 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2ey1 h GLU 67 Cb 1.86 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.12 2ey1 h GLU 67 CO 0.13 0.65 0.00 0.09 -1.00 0.00 0.00 179.01 178.88 2ey1 n ASN 68 N -3.94 1.91 -4.84 1.42 3.02 -0.64 -4.96 115.26 107.22 2ey1 n ASN 68 Ca -0.02 -1.84 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 2ey1 n ASN 68 Cb 0.54 -0.17 -0.05 0.00 -0.61 0.00 0.00 39.78 39.49 2ey1 n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ey1 s ALA 69 N -1.65 3.16 0.07 5.41 0.00 -1.17 -4.97 121.76 122.61 2ey1 s ALA 69 Ca 0.30 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.29 2ey1 s ALA 69 Cb 0.16 -2.98 -0.22 0.00 0.00 0.00 0.00 23.12 20.08 2ey1 s ALA 69 CO 0.23 0.09 1.21 0.87 0.00 0.00 0.00 175.76 178.15 2ey1 h LYS 70 N 1.70 0.69 -4.10 0.00 1.57 -1.93 -3.47 116.57 111.04 2ey1 h LYS 70 Ca -0.48 -0.70 -0.36 0.00 -1.87 0.00 0.00 60.65 57.25 2ey1 h LYS 70 Cb 1.18 0.19 -0.31 0.00 0.08 0.00 0.00 32.23 33.36 2ey1 h LYS 70 CO 0.63 1.29 -0.76 0.15 -0.57 0.00 0.00 179.45 180.18 2ey1 s LYS 71 N -3.41 0.53 -0.06 3.15 1.02 -1.26 -5.04 119.74 114.67 2ey1 s LYS 71 Ca -0.10 -0.11 0.02 0.00 0.02 0.00 0.00 55.97 55.80 2ey1 s LYS 71 Cb 0.07 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2ey1 s LYS 71 CO 0.91 -0.00 -0.12 0.42 -0.92 0.00 0.00 175.35 175.64 2ey1 s ILE 72 N 0.45 3.24 0.06 2.17 -1.09 -1.26 -1.71 121.20 123.06 2ey1 s ILE 72 Ca -0.05 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.77 2ey1 s ILE 72 Cb -0.09 -2.29 -0.03 0.00 -1.58 0.00 0.00 42.46 38.47 2ey1 s ILE 72 CO -0.00 0.59 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.54 2ey1 s GLU 73 N -0.63 0.85 0.11 2.79 2.02 -0.66 -2.19 118.70 120.99 2ey1 s GLU 73 Ca 0.09 -0.89 0.09 0.00 0.02 0.00 0.00 54.97 54.28 2ey1 s GLU 73 Cb -0.11 -0.85 -0.04 0.00 0.10 0.00 0.00 34.13 33.22 2ey1 s GLU 73 CO 0.01 0.20 -0.18 0.14 0.02 0.00 0.00 175.26 175.45 2ey1 s VAL 74 N -1.14 2.85 -0.21 2.63 -7.23 0.12 -1.06 120.40 116.35 2ey1 s VAL 74 Ca -0.01 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2ey1 s VAL 74 Cb -0.09 -2.31 0.07 0.00 0.56 0.00 0.00 36.38 34.61 2ey1 s VAL 74 CO 0.02 0.10 0.04 -0.70 -0.31 0.00 0.00 175.10 174.25 2ey1 s GLU 75 N -2.13 0.71 0.56 4.82 2.12 -0.39 -0.79 118.70 123.60 2ey1 s GLU 75 Ca 0.18 -0.54 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 2ey1 s GLU 75 Cb -0.11 -2.10 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 2ey1 s GLU 75 CO 0.10 -0.69 1.04 -0.06 -0.54 0.00 0.00 175.26 175.11 2ey1 s PHE 76 N 1.81 3.10 0.00 5.30 0.08 -1.26 -0.84 117.98 126.17 2ey1 s PHE 76 Ca 0.00 1.51 0.00 0.00 0.12 0.00 0.00 56.93 58.56 2ey1 s PHE 76 Cb -0.17 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 2ey1 s PHE 76 CO -0.11 -0.91 0.00 -3.47 -0.10 0.00 0.00 175.22 170.63 2ey1 n ASP 77 N -1.83 0.00 0.04 1.36 -0.08 -1.26 -4.70 116.55 110.09 2ey1 n ASP 77 Ca 0.08 -0.81 0.13 0.00 -1.51 0.00 0.00 54.79 52.68 2ey1 n ASP 77 Cb 0.53 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.33 2ey1 n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ey1 n LYS 78 N -0.81 0.14 0.00 -0.67 5.02 -1.26 -4.91 118.16 115.67 2ey1 n LYS 78 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2ey1 n LYS 78 Cb 0.00 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2ey1 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ey1 n GLY 79 N 1.41 2.32 3.75 0.72 0.00 -1.26 -4.96 105.19 107.18 2ey1 n GLY 79 Ca 0.05 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2ey1 n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ey1 n GLN 80 N 0.00 2.61 0.00 1.61 3.00 -1.26 -4.93 117.38 118.40 2ey1 n GLN 80 Ca 0.00 0.92 0.11 0.00 -0.01 0.00 0.00 57.00 58.02 2ey1 n GLN 80 Cb 0.00 -2.66 0.03 0.00 0.00 0.00 0.00 30.24 27.62 2ey1 n GLN 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2ey1 n ARG 81 N 1.23 1.57 -4.08 -1.09 5.12 -1.26 -4.81 116.66 113.35 2ey1 n ARG 81 Ca 0.05 -1.30 -0.13 0.00 -1.93 0.00 0.00 57.85 54.55 2ey1 n ARG 81 Cb 0.37 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.09 2ey1 n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ey1 s THR 82 N -2.32 0.55 0.12 0.55 -4.23 -1.26 -0.47 115.64 108.57 2ey1 s THR 82 Ca 0.22 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 2ey1 s THR 82 Cb 0.19 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.29 2ey1 s THR 82 CO 0.48 -0.46 0.16 -0.90 -0.54 0.00 0.00 174.62 173.37 2ey1 n ASP 83 N 1.24 0.31 0.02 3.99 5.68 -0.22 -4.90 116.55 122.69 2ey1 n ASP 83 Ca -0.21 -1.24 0.09 0.00 -0.50 0.00 0.00 54.79 52.93 2ey1 n ASP 83 Cb 0.56 -0.10 0.38 0.00 -1.14 0.00 0.00 41.12 40.82 2ey1 n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2ey1 n LYS 84 N -1.28 0.04 -0.09 0.11 2.85 -1.26 -1.21 118.16 117.32 2ey1 n LYS 84 Ca 0.03 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.65 2ey1 n LYS 84 Cb 0.11 -1.57 0.28 0.00 -0.65 0.00 0.00 35.03 33.20 2ey1 n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2ey1 n TYR 85 N -1.64 0.23 -0.75 5.58 4.01 -1.26 -4.93 117.16 118.41 2ey1 n TYR 85 Ca 0.04 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2ey1 n TYR 85 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 2ey1 n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ey1 n GLY 86 N 1.32 0.72 3.73 2.72 0.00 -0.35 -5.03 105.19 108.30 2ey1 n GLY 86 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2ey1 n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ey1 s ARG 87 N -0.25 4.64 0.34 1.61 0.52 -1.26 -4.78 118.95 119.78 2ey1 s ARG 87 Ca 0.00 1.36 -0.28 0.00 -0.52 0.00 0.00 55.73 56.29 2ey1 s ARG 87 Cb 0.00 -3.38 -0.12 0.00 0.52 0.00 0.00 34.95 31.97 2ey1 s ARG 87 CO 0.00 0.21 1.37 0.41 0.02 0.00 0.00 175.30 177.31 2ey1 n GLY 88 N 2.32 0.82 3.25 -3.53 0.00 -0.10 -1.05 105.19 106.91 2ey1 n GLY 88 Ca 0.01 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.99 2ey1 n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ey1 s LEU 89 N -1.25 4.33 0.24 0.99 1.43 0.38 -0.45 118.68 124.34 2ey1 s LEU 89 Ca 0.56 -1.22 -0.20 0.00 -1.03 0.00 0.00 54.13 52.24 2ey1 s LEU 89 Cb -0.54 -1.85 0.03 0.00 0.03 0.00 0.00 46.19 43.86 2ey1 s LEU 89 CO 0.61 -0.34 0.64 0.00 0.23 0.00 0.00 176.35 177.50 2ey1 s ALA 90 N 1.37 -1.14 -0.08 4.21 0.00 -1.14 -4.38 121.76 120.60 2ey1 s ALA 90 Ca -0.02 -0.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.58 2ey1 s ALA 90 Cb -0.20 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.75 2ey1 s ALA 90 CO 0.02 -0.93 0.41 0.71 0.00 0.00 0.00 175.76 175.97 2ey1 s TYR 91 N -3.89 3.59 -0.11 0.00 2.02 -0.02 -1.01 117.35 117.94 2ey1 s TYR 91 Ca 0.10 0.87 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 2ey1 s TYR 91 Cb -0.04 -2.40 -0.02 0.00 -0.40 0.00 0.00 41.96 39.10 2ey1 s TYR 91 CO 0.02 0.38 -0.10 0.42 -1.57 0.00 0.00 175.55 174.70 2ey1 s ILE 92 N -0.11 3.39 -0.11 2.71 -1.09 -1.26 -1.26 121.20 123.47 2ey1 s ILE 92 Ca 0.23 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2ey1 s ILE 92 Cb -0.15 -2.41 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 2ey1 s ILE 92 CO 0.10 0.55 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.90 2ey1 s TYR 93 N -0.13 2.76 -0.23 3.97 1.51 -0.23 -0.09 117.35 124.91 2ey1 s TYR 93 Ca 0.00 -0.61 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 2ey1 s TYR 93 Cb -0.13 -1.79 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 2ey1 s TYR 93 CO 0.03 -0.17 -0.08 0.00 -1.11 0.00 0.00 175.55 174.22 2ey1 s ALA 94 N 0.17 2.67 -1.44 3.71 0.00 0.07 -1.65 121.76 125.29 2ey1 s ALA 94 Ca -0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 2ey1 s ALA 94 Cb -0.15 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.34 2ey1 s ALA 94 CO 0.05 -0.68 0.32 -0.25 0.00 0.00 0.00 175.76 175.20 2ey1 n ASP 95 N 4.69 -0.04 0.00 0.00 8.00 -0.69 -1.19 116.55 127.31 2ey1 n ASP 95 Ca -0.17 -1.07 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2ey1 n ASP 95 Cb 0.48 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 2ey1 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ey1 n GLY 96 N -2.11 1.49 3.58 0.44 0.00 -1.26 -5.00 105.19 102.32 2ey1 n GLY 96 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 2ey1 n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ey1 s LYS 97 N -0.09 3.90 -0.11 1.61 3.01 -0.33 -5.04 119.74 122.68 2ey1 s LYS 97 Ca 0.00 -0.37 -0.29 0.00 -1.01 0.00 0.00 55.97 54.30 2ey1 s LYS 97 Cb 0.00 -3.35 -0.03 0.00 -1.01 0.00 0.00 37.83 33.44 2ey1 s LYS 97 CO 0.00 0.06 1.43 1.41 0.51 0.00 0.00 175.35 178.76 2ey1 s MET 98 N 0.98 4.21 0.29 1.68 1.75 -1.26 -0.75 119.30 126.21 2ey1 s MET 98 Ca 0.05 1.90 -0.02 0.00 -1.25 0.00 0.00 55.69 56.36 2ey1 s MET 98 Cb -0.14 -3.85 0.42 0.00 2.84 0.00 0.00 34.83 34.11 2ey1 s MET 98 CO 0.03 -0.76 1.95 0.28 -0.65 0.00 0.00 175.02 175.87 2ey1 h VAL 99 N 5.50 1.19 -0.43 10.11 2.07 -0.86 -2.01 116.25 131.83 2ey1 h VAL 99 Ca -0.32 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2ey1 h VAL 99 Cb 1.14 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2ey1 h VAL 99 CO 0.96 0.21 0.25 0.78 0.02 0.00 0.00 177.57 179.79 2ey1 h ASN 100 N 1.15 0.39 -0.18 0.57 4.21 -1.91 -2.09 115.58 117.73 2ey1 h ASN 100 Ca 0.33 0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.71 2ey1 h ASN 100 Cb -0.07 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2ey1 h ASN 100 CO -0.08 0.28 -0.39 -0.08 -1.29 0.00 0.00 177.43 175.87 2ey1 h GLU 101 N 0.50 0.71 -0.73 0.81 4.22 -1.87 -3.04 114.58 115.19 2ey1 h GLU 101 Ca 0.17 -0.36 -0.00 0.00 0.08 0.00 0.00 59.36 59.25 2ey1 h GLU 101 Cb 0.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2ey1 h GLU 101 CO -0.09 0.98 0.44 0.00 -2.18 0.00 0.00 179.01 178.16 2ey1 h ALA 102 N 0.98 0.92 -0.74 2.92 0.00 -1.03 0.15 119.26 122.45 2ey1 h ALA 102 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.90 2ey1 h ALA 102 Cb 0.92 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2ey1 h ALA 102 CO 0.08 0.39 0.48 -0.07 0.00 0.00 0.00 179.25 180.13 2ey1 h LEU 103 N 0.99 0.79 -0.32 0.00 -0.00 -1.37 -2.19 115.31 113.21 2ey1 h LEU 103 Ca 0.26 -0.01 -0.18 0.00 -0.00 0.00 0.00 57.88 57.95 2ey1 h LEU 103 Cb -0.04 -0.18 -0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2ey1 h LEU 103 CO -0.05 0.55 -0.52 0.58 -0.00 0.00 0.00 178.44 179.00 2ey1 h VAL 104 N 0.94 1.27 -0.04 1.22 2.07 -1.28 0.99 116.25 121.42 2ey1 h VAL 104 Ca 0.29 -1.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 2ey1 h VAL 104 Cb -0.01 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2ey1 h VAL 104 CO -0.10 0.56 -0.09 -0.09 0.02 0.00 0.00 177.57 177.87 2ey1 h ARG 105 N 0.68 0.06 -0.01 1.57 9.65 -0.51 -2.01 114.38 123.81 2ey1 h ARG 105 Ca 0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2ey1 h ARG 105 Cb 1.13 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2ey1 h ARG 105 CO 0.12 0.15 -0.08 1.04 2.80 0.00 0.00 179.97 183.99 2ey1 n GLN 106 N -4.40 1.06 -1.85 0.20 1.13 -0.84 -4.40 117.38 108.27 2ey1 n GLN 106 Ca -0.02 -0.46 -0.07 0.00 -1.94 0.00 0.00 57.00 54.51 2ey1 n GLN 106 Cb 0.18 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 2ey1 n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ey1 n GLY 107 N 1.21 0.34 0.64 1.08 0.00 -0.76 -4.35 105.19 103.36 2ey1 n GLY 107 Ca 0.17 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.61 2ey1 n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ey1 n LEU 108 N -0.94 2.93 -3.51 0.99 4.77 0.32 -1.24 117.00 120.32 2ey1 n LEU 108 Ca -0.08 -2.00 -0.15 0.00 -0.03 0.00 0.00 56.01 53.75 2ey1 n LEU 108 Cb 0.46 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 2ey1 n LEU 108 CO 0.10 0.73 0.38 0.00 -1.33 0.00 0.00 177.39 177.27 2ey1 s ALA 109 N -1.00 -1.58 0.07 -1.18 0.00 -1.15 -4.35 121.76 112.56 2ey1 s ALA 109 Ca 0.23 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.08 2ey1 s ALA 109 Cb 0.12 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 2ey1 s ALA 109 CO 0.16 -0.52 0.09 0.15 0.00 0.00 0.00 175.76 175.64 2ey1 s LYS 110 N -2.27 2.95 0.17 0.00 1.02 -0.26 -4.51 119.74 116.85 2ey1 s LYS 110 Ca -0.06 -0.65 -0.31 0.00 0.02 0.00 0.00 55.97 54.98 2ey1 s LYS 110 Cb -0.01 -2.77 -0.09 0.00 -0.52 0.00 0.00 37.83 34.45 2ey1 s LYS 110 CO 0.00 0.58 1.36 0.08 -0.92 0.00 0.00 175.35 176.45 2ey1 s VAL 111 N -1.38 3.18 0.86 3.17 1.01 -1.26 -0.61 120.40 125.38 2ey1 s VAL 111 Ca 0.29 0.92 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 2ey1 s VAL 111 Cb -0.12 -3.59 0.15 0.00 0.00 0.00 0.00 36.38 32.82 2ey1 s VAL 111 CO 0.22 0.11 1.20 0.00 0.00 0.00 0.00 175.10 176.63 2ey1 s ALA 112 N 0.49 2.69 0.31 5.51 0.00 0.64 -4.77 121.76 126.63 2ey1 s ALA 112 Ca 0.60 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 2ey1 s ALA 112 Cb -0.37 -2.62 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 2ey1 s ALA 112 CO 0.36 -2.02 1.38 -0.47 0.00 0.00 0.00 175.76 175.01 2ey1 s TYR 113 N -3.63 2.96 -0.11 0.00 6.14 -1.26 -4.94 117.35 116.52 2ey1 s TYR 113 Ca 0.69 1.23 -0.03 0.00 0.64 0.00 0.00 57.07 59.61 2ey1 s TYR 113 Cb -0.06 -3.79 -0.03 0.00 0.42 0.00 0.00 41.96 38.50 2ey1 s TYR 113 CO 0.50 -2.33 0.01 0.08 0.64 0.00 0.00 175.55 174.45 2ey1 s VAL 114 N -0.72 4.39 -0.36 3.14 1.01 -1.26 -4.96 120.40 121.65 2ey1 s VAL 114 Ca 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 62.30 2ey1 s VAL 114 Cb -0.42 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.17 2ey1 s VAL 114 CO 0.51 0.57 0.09 -0.31 0.00 0.00 0.00 175.10 175.97 2ey1 s TYR 115 N -0.55 3.54 0.62 5.22 2.02 -1.26 -5.08 117.35 121.86 2ey1 s TYR 115 Ca 0.10 -2.44 -0.18 0.00 -0.37 0.00 0.00 57.07 54.18 2ey1 s TYR 115 Cb -0.12 -2.80 -0.02 0.00 -0.40 0.00 0.00 41.96 38.62 2ey1 s TYR 115 CO 0.02 -0.92 1.23 0.15 -1.57 0.00 0.00 175.55 174.47 2ey1 s LYS 116 N 1.10 2.77 -0.20 -0.62 1.02 -1.26 -0.31 119.74 122.24 2ey1 s LYS 116 Ca 0.05 1.89 0.07 0.00 0.02 0.00 0.00 55.97 58.00 2ey1 s LYS 116 Cb -0.21 -1.89 0.50 0.00 -0.52 0.00 0.00 37.83 35.71 2ey1 s LYS 116 CO -0.04 -1.38 1.40 -0.35 -0.92 0.00 0.00 175.35 174.05 2ey1 n PRO 117 N -1.79 2.98 -2.19 -1.68 -0.04 -1.26 -4.99 135.00 126.04 2ey1 n PRO 117 Ca 0.14 -2.01 -0.42 0.00 -0.04 0.00 0.00 63.50 61.17 2ey1 n PRO 117 Cb 0.49 -1.92 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2ey1 n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2ey1 n ASN 118 N 0.10 4.90 -0.66 3.54 3.02 0.57 -4.27 115.26 122.46 2ey1 n ASN 118 Ca 0.25 -3.05 0.00 0.00 -0.03 0.00 0.00 54.58 51.75 2ey1 n ASN 118 Cb 0.99 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 2ey1 n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2ey1 n ASN 119 N 4.28 0.11 -0.21 6.41 6.94 -1.26 -4.40 115.26 127.13 2ey1 n ASN 119 Ca 0.43 -1.84 0.03 0.00 -0.02 0.00 0.00 54.58 53.19 2ey1 n ASN 119 Cb 0.37 -0.16 0.29 0.00 -2.36 0.00 0.00 39.78 37.91 2ey1 n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2ey1 h THR 120 N 6.60 1.11 -0.52 5.53 2.02 -1.98 -2.27 112.91 123.40 2ey1 h THR 120 Ca -0.05 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 2ey1 h THR 120 Cb 1.41 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2ey1 h THR 120 CO 0.00 0.17 0.07 1.41 0.37 0.00 0.00 175.52 177.54 2ey1 n HIS 121 N -4.46 1.82 -0.12 3.16 8.25 -1.26 -4.65 115.22 117.96 2ey1 n HIS 121 Ca 0.10 -0.95 -0.10 0.00 -0.26 0.00 0.00 57.72 56.51 2ey1 n HIS 121 Cb 0.13 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 30.72 2ey1 n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2ey1 h GLU 122 N 2.86 0.56 -0.63 -0.41 4.81 -1.79 -1.91 114.58 118.08 2ey1 h GLU 122 Ca 0.08 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2ey1 h GLU 122 Cb 1.92 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 31.19 2ey1 h GLU 122 CO 0.48 0.58 0.16 1.96 -0.73 0.00 0.00 179.01 181.46 2ey1 h GLN 123 N 0.44 1.00 -0.63 1.92 1.08 -1.82 -0.89 115.11 116.21 2ey1 h GLN 123 Ca 0.12 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 2ey1 h GLN 123 Cb 0.25 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.52 2ey1 h GLN 123 CO -0.00 0.90 0.09 1.25 -0.95 0.00 0.00 178.83 180.12 2ey1 h HIS 124 N 0.92 1.09 -0.50 2.96 2.76 -1.87 -1.37 115.15 119.14 2ey1 h HIS 124 Ca 0.20 -0.14 -0.12 0.00 -2.20 0.00 0.00 60.37 58.10 2ey1 h HIS 124 Cb 0.35 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2ey1 h HIS 124 CO 0.03 0.92 -0.15 -0.07 -1.30 0.00 0.00 177.93 177.35 2ey1 h LEU 125 N 0.96 0.99 -1.08 0.26 3.38 -1.05 -2.48 115.31 116.29 2ey1 h LEU 125 Ca 0.19 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2ey1 h LEU 125 Cb 0.43 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2ey1 h LEU 125 CO 0.01 1.13 0.19 0.03 0.09 0.00 0.00 178.44 179.89 2ey1 h ARG 126 N 0.86 0.84 -0.14 1.13 3.08 -0.85 0.12 114.38 119.43 2ey1 h ARG 126 Ca 0.13 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ey1 h ARG 126 Cb 0.72 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2ey1 h ARG 126 CO 0.06 0.72 0.08 0.87 -1.07 0.00 0.00 179.97 180.62 2ey1 h LYS 127 N 0.83 0.19 -0.29 0.04 1.57 -1.12 -0.40 116.57 117.38 2ey1 h LYS 127 Ca 0.19 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2ey1 h LYS 127 Cb 0.22 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2ey1 h LYS 127 CO -0.01 0.21 0.01 0.77 -0.57 0.00 0.00 179.45 179.86 2ey1 h SER 128 N 0.12 0.40 -0.59 0.86 0.02 -0.97 -2.18 113.55 111.22 2ey1 h SER 128 Ca 0.05 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2ey1 h SER 128 Cb 0.07 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2ey1 h SER 128 CO -0.01 0.46 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.05 2ey1 h GLU 129 N 0.42 1.06 -0.30 3.45 4.81 -0.46 -0.93 114.58 122.62 2ey1 h GLU 129 Ca 0.10 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2ey1 h GLU 129 Cb 0.26 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2ey1 h GLU 129 CO 0.01 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.30 2ey1 h ALA 130 N 1.01 1.40 -0.22 2.92 0.00 -0.49 -1.87 119.26 122.02 2ey1 h ALA 130 Ca 0.17 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2ey1 h ALA 130 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ey1 h ALA 130 CO 0.03 0.42 -0.35 0.37 0.00 0.00 0.00 179.25 179.71 2ey1 h GLN 131 N 0.45 0.62 -0.19 0.00 5.75 -1.09 -1.98 115.11 118.67 2ey1 h GLN 131 Ca 0.10 -0.38 -0.06 0.00 -0.15 0.00 0.00 58.65 58.15 2ey1 h GLN 131 Cb 0.33 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2ey1 h GLN 131 CO 0.01 0.99 -0.15 0.00 -2.65 0.00 0.00 178.83 177.03 2ey1 h ALA 132 N 0.62 1.39 -0.34 3.38 0.00 -0.95 -0.21 119.26 123.15 2ey1 h ALA 132 Ca 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2ey1 h ALA 132 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ey1 h ALA 132 CO 0.08 0.42 -0.09 0.87 0.00 0.00 0.00 179.25 180.53 2ey1 h LYS 133 N 0.29 0.67 -0.82 0.00 1.57 -1.25 -1.32 116.57 115.71 2ey1 h LYS 133 Ca 0.06 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2ey1 h LYS 133 Cb 0.45 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 2ey1 h LYS 133 CO 0.03 0.84 0.54 -0.22 -0.57 0.00 0.00 179.45 180.06 2ey1 h LYS 134 N 0.46 1.09 0.00 3.15 3.64 -1.10 -0.65 116.57 123.16 2ey1 h LYS 134 Ca 0.09 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ey1 h LYS 134 Cb 0.60 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2ey1 h LYS 134 CO 0.04 0.73 0.00 0.39 -2.27 0.00 0.00 179.45 178.34 2ey1 n GLU 135 N -4.50 0.96 -3.94 1.90 1.02 -0.11 -4.93 120.64 111.03 2ey1 n GLU 135 Ca 0.08 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.96 2ey1 n GLU 135 Cb 0.02 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.93 2ey1 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2ey1 n LYS 136 N -1.02 -3.59 -3.11 3.49 5.02 -0.25 -4.95 118.16 113.75 2ey1 n LYS 136 Ca 0.23 0.44 -0.39 0.00 -2.02 0.00 0.00 58.31 56.57 2ey1 n LYS 136 Cb 0.12 -4.70 -0.05 0.00 -0.02 0.00 0.00 35.03 30.37 2ey1 n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2ey1 s LEU 137 N -6.97 4.43 0.00 -0.35 1.43 -0.72 -3.44 118.68 113.06 2ey1 s LEU 137 Ca 0.10 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2ey1 s LEU 137 Cb -0.05 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2ey1 s LEU 137 CO 0.88 0.06 0.00 0.59 0.23 0.00 0.00 176.35 178.11 2ey1 n ASN 138 N 2.78 0.00 0.08 2.29 3.02 -1.26 -0.06 115.26 122.11 2ey1 n ASN 138 Ca -0.05 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.68 2ey1 n ASN 138 Cb 0.51 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.40 2ey1 n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ey1 h ILE 139 N 0.00 0.67 -0.39 2.41 5.03 -1.48 -0.39 117.51 123.36 2ey1 h ILE 139 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 2ey1 h ILE 139 Cb 0.00 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.57 2ey1 h ILE 139 CO 0.00 0.00 0.00 0.79 -0.68 0.00 0.00 178.15 178.26 2ey1 n TRP 140 N -4.20 0.52 1.66 1.37 7.02 0.91 -5.13 117.44 119.58 2ey1 n TRP 140 Ca 0.06 -0.26 0.15 0.00 -1.02 0.00 0.00 57.50 56.43 2ey1 n TRP 140 Cb 0.49 0.00 0.66 0.00 -2.42 0.00 0.00 31.31 30.04 2ey1 n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54