#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m85 s LYS 7 N 0.00 3.90 0.60 3.49 -2.85 -1.26 -4.98 119.74 118.65 3m85 s LYS 7 Ca 0.00 -0.37 0.28 0.00 -1.00 0.00 0.00 55.97 54.88 3m85 s LYS 7 Cb 0.00 -3.15 1.44 0.00 -2.06 0.00 0.00 37.83 34.06 3m85 s LYS 7 CO 0.00 0.28 1.85 -1.35 0.10 0.00 0.00 175.35 176.23 3m85 h PRO 8 N 6.65 0.00 0.00 1.78 0.11 -2.02 -3.44 132.00 135.07 3m85 h PRO 8 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3m85 h PRO 8 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3m85 h PRO 8 CO 0.69 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 3m85 n GLU 9 N -3.52 0.00 -0.10 1.05 0.28 -1.26 -4.37 120.64 112.72 3m85 n GLU 9 Ca 0.07 0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.83 3m85 n GLU 9 Cb 0.67 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.96 3m85 n GLU 9 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3m85 n LYS 10 N 0.00 0.61 0.00 3.44 0.00 -1.26 -5.01 118.16 115.94 3m85 n LYS 10 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 58.31 58.67 3m85 n LYS 10 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.41 3m85 n LYS 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3m85 n LEU 11 N -4.07 0.00 -4.70 3.14 4.77 -1.26 -4.66 117.00 110.22 3m85 n LEU 11 Ca -0.42 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.14 3m85 n LEU 11 Cb 0.85 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 3m85 n LEU 11 CO 0.18 0.00 0.95 -0.63 -1.33 0.00 0.00 177.39 176.56 3m85 s ILE 12 N 0.00 4.00 -0.01 -0.08 1.01 -1.26 -3.26 121.20 121.60 3m85 s ILE 12 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 60.65 62.08 3m85 s ILE 12 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 42.46 38.56 3m85 s ILE 12 CO 0.00 0.06 -0.09 -0.69 0.00 0.00 0.00 174.94 174.21 3m85 s VAL 13 N 1.62 0.76 -1.74 2.92 1.01 -0.34 -4.83 120.40 119.80 3m85 s VAL 13 Ca 0.59 -0.40 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 3m85 s VAL 13 Cb -0.29 -0.64 0.19 0.00 0.00 0.00 0.00 36.38 35.64 3m85 s VAL 13 CO 0.27 0.22 0.70 0.47 0.00 0.00 0.00 175.10 176.75 3m85 n ASP 14 N 2.91 -2.74 0.00 3.32 10.43 -1.26 0.20 116.55 129.41 3m85 n ASP 14 Ca -0.14 -1.06 0.00 0.00 2.57 0.00 0.00 54.79 56.16 3m85 n ASP 14 Cb 0.56 -2.29 0.00 0.00 1.84 0.00 0.00 41.12 41.24 3m85 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m85 n GLY 15 N -1.24 0.92 3.16 0.44 0.00 -1.26 -4.96 105.19 102.25 3m85 n GLY 15 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3m85 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m85 s LEU 16 N 0.00 2.13 0.93 0.99 1.43 0.54 -4.62 118.68 120.08 3m85 s LEU 16 Ca 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.53 3m85 s LEU 16 Cb 0.00 -0.74 0.17 0.00 0.03 0.00 0.00 46.19 45.65 3m85 s LEU 16 CO 0.00 0.11 1.29 -0.13 0.23 0.00 0.00 176.35 177.85 3m85 s ARG 17 N -0.91 0.93 0.00 1.70 0.52 -0.98 -1.20 118.95 119.01 3m85 s ARG 17 Ca 0.04 -0.29 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 3m85 s ARG 17 Cb -0.07 -1.87 0.02 0.00 0.52 0.00 0.00 34.95 33.54 3m85 s ARG 17 CO 0.01 -2.24 0.94 1.28 0.02 0.00 0.00 175.30 175.31 3m85 n LEU 18 N -3.67 0.00 -0.02 2.53 4.32 -1.20 0.14 117.00 119.10 3m85 n LEU 18 Ca 0.14 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 3m85 n LEU 18 Cb 0.60 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 3m85 n LEU 18 CO 0.48 -0.42 0.21 -0.90 -1.22 0.00 0.00 177.39 175.54 3m85 n ASP 19 N -1.42 0.85 0.00 -1.43 5.75 -1.26 -5.01 116.55 114.02 3m85 n ASP 19 Ca 0.00 -0.92 0.00 0.00 -0.01 0.00 0.00 54.79 53.86 3m85 n ASP 19 Cb 0.00 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 3m85 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3m85 n GLY 20 N 0.22 0.66 3.72 6.12 0.00 0.12 -5.06 105.19 110.97 3m85 n GLY 20 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3m85 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m85 s ARG 21 N -0.73 1.55 0.59 1.61 0.52 -1.26 -4.61 118.95 116.61 3m85 s ARG 21 Ca 0.00 1.10 0.02 0.00 -0.52 0.00 0.00 55.73 56.32 3m85 s ARG 21 Cb 0.00 -1.82 0.06 0.00 0.52 0.00 0.00 34.95 33.71 3m85 s ARG 21 CO 0.00 -2.12 0.82 -1.59 0.02 0.00 0.00 175.30 172.43 3m85 s LYS 22 N -4.85 2.34 0.59 3.54 0.00 -1.26 -2.33 119.74 117.78 3m85 s LYS 22 Ca 0.63 -0.92 0.29 0.00 0.00 0.00 0.00 55.97 55.97 3m85 s LYS 22 Cb -0.19 -2.47 1.56 0.00 0.00 0.00 0.00 37.83 36.73 3m85 s LYS 22 CO 0.57 -0.87 1.98 0.27 0.00 0.00 0.00 175.35 177.30 3m85 h PHE 23 N -0.04 0.00 0.00 1.78 -0.00 -1.90 -2.60 116.94 114.18 3m85 h PHE 23 Ca -0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.55 3m85 h PHE 23 Cb 1.29 0.00 -0.05 0.00 -0.00 0.00 0.00 35.95 37.19 3m85 h PHE 23 CO 0.25 0.00 -0.55 -0.40 -0.00 0.00 0.00 178.31 177.60 3m85 n ASP 24 N -3.73 1.63 -4.43 -0.68 5.75 -1.26 -0.34 116.55 113.49 3m85 n ASP 24 Ca 0.05 -3.61 -0.36 0.00 -0.01 0.00 0.00 54.79 50.86 3m85 n ASP 24 Cb 0.51 -0.49 -0.13 0.00 -1.03 0.00 0.00 41.12 39.98 3m85 n ASP 24 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3m85 s GLU 25 N -2.77 3.62 0.73 0.11 2.12 -0.98 -4.94 118.70 116.59 3m85 s GLU 25 Ca 0.37 -0.50 -0.14 0.00 0.36 0.00 0.00 54.97 55.06 3m85 s GLU 25 Cb 0.37 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.56 3m85 s GLU 25 CO -0.08 -0.15 1.16 -0.51 -0.54 0.00 0.00 175.26 175.14 3m85 s LEU 26 N 1.47 3.25 0.83 2.70 1.43 -1.26 -4.76 118.68 122.34 3m85 s LEU 26 Ca 0.05 2.16 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 3m85 s LEU 26 Cb -0.15 -4.57 0.09 0.00 0.03 0.00 0.00 46.19 41.60 3m85 s LEU 26 CO 0.02 -2.14 1.09 -0.13 0.23 0.00 0.00 176.35 175.43 3m85 s ARG 27 N -4.17 1.79 0.08 1.70 0.52 -1.26 -4.94 118.95 112.67 3m85 s ARG 27 Ca 0.70 0.76 -0.31 0.00 -0.52 0.00 0.00 55.73 56.36 3m85 s ARG 27 Cb -0.24 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.26 3m85 s ARG 27 CO 0.47 -1.86 1.85 -2.14 0.02 0.00 0.00 175.30 173.64 3m85 s PRO 28 N -5.05 4.15 -0.11 3.54 0.02 -1.26 -4.58 135.00 131.71 3m85 s PRO 28 Ca 0.62 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 64.18 3m85 s PRO 28 Cb -0.16 -3.79 -0.03 0.00 0.02 0.00 0.00 34.50 30.54 3m85 s PRO 28 CO 0.55 -0.87 -0.07 0.42 -0.33 0.00 0.00 177.00 176.71 3m85 s ILE 29 N 3.32 3.65 0.17 2.83 1.01 -1.26 -1.17 121.20 129.75 3m85 s ILE 29 Ca 0.82 -0.47 0.11 0.00 0.00 0.00 0.00 60.65 61.10 3m85 s ILE 29 Cb -0.44 -2.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3m85 s ILE 29 CO 0.37 0.55 -0.22 -0.54 0.00 0.00 0.00 174.94 175.11 3m85 s LYS 30 N -0.24 1.61 -0.35 2.79 1.02 -0.45 -5.00 119.74 119.13 3m85 s LYS 30 Ca 0.03 -1.40 0.05 0.00 0.02 0.00 0.00 55.97 54.67 3m85 s LYS 30 Cb -0.13 -1.94 0.17 0.00 -0.52 0.00 0.00 37.83 35.41 3m85 s LYS 30 CO 0.03 0.43 0.50 0.42 -0.92 0.00 0.00 175.35 175.80 3m85 s ILE 31 N -1.47 -0.74 -0.05 2.17 1.01 -1.26 -2.27 121.20 118.59 3m85 s ILE 31 Ca 0.19 -0.32 -0.22 0.00 0.00 0.00 0.00 60.65 60.30 3m85 s ILE 31 Cb -0.09 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 3m85 s ILE 31 CO 0.10 -0.22 0.65 -1.61 0.00 0.00 0.00 174.94 173.86 3m85 s GLU 32 N 2.10 4.40 0.11 2.79 0.41 -0.55 -4.62 118.70 123.34 3m85 s GLU 32 Ca 0.13 0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 55.49 3m85 s GLU 32 Cb -0.10 -3.41 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 3m85 s GLU 32 CO -0.16 0.18 0.28 0.00 -0.49 0.00 0.00 175.26 175.08 3m85 s ALA 33 N 0.42 3.93 -0.99 5.21 0.00 -1.26 -1.75 121.76 127.31 3m85 s ALA 33 Ca 0.34 -0.79 -0.12 0.00 0.00 0.00 0.00 51.96 51.39 3m85 s ALA 33 Cb -0.18 -1.92 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3m85 s ALA 33 CO 0.17 0.71 0.75 0.45 0.00 0.00 0.00 175.76 177.84 3m85 n SER 34 N 0.03 -5.85 -0.04 0.00 2.88 -0.88 -4.91 113.62 104.83 3m85 n SER 34 Ca -0.05 -0.80 -0.14 0.00 -1.33 0.00 0.00 58.87 56.56 3m85 n SER 34 Cb 0.52 -3.59 -0.14 0.00 -0.75 0.00 0.00 64.21 60.25 3m85 n SER 34 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3m85 n VAL 35 N -3.36 1.60 -2.97 2.46 0.24 -1.26 -4.92 118.33 110.13 3m85 n VAL 35 Ca -0.11 -0.74 -0.40 0.00 -2.04 0.00 0.00 64.34 61.05 3m85 n VAL 35 Cb 0.59 -1.16 -0.05 0.00 -1.47 0.00 0.00 33.84 31.75 3m85 n VAL 35 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3m85 s LEU 36 N -6.29 4.46 0.04 1.34 1.43 -1.26 -4.97 118.68 113.44 3m85 s LEU 36 Ca -0.14 1.49 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 3m85 s LEU 36 Cb 0.07 -3.26 -0.31 0.00 0.03 0.00 0.00 46.19 42.73 3m85 s LEU 36 CO 0.78 0.03 1.02 0.50 0.23 0.00 0.00 176.35 178.91 3m85 h LYS 37 N 5.55 0.36 0.01 1.70 3.64 -2.01 -3.38 116.57 122.44 3m85 h LYS 37 Ca -0.44 -0.61 -0.23 0.00 -1.27 0.00 0.00 60.65 58.10 3m85 h LYS 37 Cb 1.21 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 33.22 3m85 h LYS 37 CO 0.71 1.28 -1.13 0.00 -2.27 0.00 0.00 179.45 178.03 3m85 h ARG 38 N 0.10 0.03 -7.38 1.90 2.47 -2.01 -3.46 114.38 106.02 3m85 h ARG 38 Ca -0.20 -0.05 -0.50 0.00 -1.26 0.00 0.00 59.98 57.97 3m85 h ARG 38 Cb 2.05 0.02 0.11 0.00 -1.65 0.00 0.00 29.97 30.49 3m85 h ARG 38 CO 0.22 0.95 0.35 0.00 0.56 0.00 0.00 179.97 182.05 3m85 s ALA 39 N -2.69 2.42 0.22 0.04 0.00 -1.26 -4.97 121.76 115.52 3m85 s ALA 39 Ca -0.00 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.89 3m85 s ALA 39 Cb 0.09 -3.13 0.19 0.00 0.00 0.00 0.00 23.12 20.27 3m85 s ALA 39 CO 0.83 -1.53 1.52 -0.44 0.00 0.00 0.00 175.76 176.14 3m85 h ASP 40 N -0.95 0.33 -4.21 0.00 3.45 -1.60 -3.46 116.42 109.99 3m85 h ASP 40 Ca -0.46 -0.20 -0.06 0.00 0.43 0.00 0.00 57.03 56.74 3m85 h ASP 40 Cb 1.25 -0.10 -0.21 0.00 -0.56 0.00 0.00 39.33 39.71 3m85 h ASP 40 CO 0.58 0.88 0.06 -0.83 -1.57 0.00 0.00 179.24 178.36 3m85 s GLY 41 N -4.32 -0.49 0.33 2.75 0.00 -1.17 -4.26 107.32 100.17 3m85 s GLY 41 Ca -0.04 1.66 0.07 0.00 0.00 0.00 0.00 44.72 46.40 3m85 s GLY 41 CO 0.81 1.39 0.30 -1.35 0.00 0.00 0.00 173.10 174.25 3m85 s SER 42 N -0.02 1.63 -0.30 1.64 1.04 -1.26 0.02 113.70 116.45 3m85 s SER 42 Ca -0.03 -1.74 -0.17 0.00 0.48 0.00 0.00 55.95 54.49 3m85 s SER 42 Cb -0.04 0.57 0.18 0.00 0.10 0.00 0.00 66.02 66.83 3m85 s SER 42 CO 0.03 -1.09 1.15 0.00 0.98 0.00 0.00 173.24 174.31 3m85 s TYR 44 N 2.01 3.47 -0.30 0.00 5.04 -0.72 -1.30 117.35 125.56 3m85 s TYR 44 Ca -0.02 0.77 -0.05 0.00 -2.44 0.00 0.00 57.07 55.32 3m85 s TYR 44 Cb -0.03 -2.17 0.17 0.00 0.35 0.00 0.00 41.96 40.28 3m85 s TYR 44 CO -0.16 0.37 0.65 -1.17 -1.34 0.00 0.00 175.55 173.90 3m85 s LEU 45 N -2.58 -1.23 0.09 6.97 2.96 -0.73 -1.48 118.68 122.68 3m85 s LEU 45 Ca 0.43 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 55.31 3m85 s LEU 45 Cb -0.12 2.17 -0.06 0.00 0.50 0.00 0.00 46.19 48.67 3m85 s LEU 45 CO 0.22 -0.23 0.49 -1.61 -1.32 0.00 0.00 176.35 173.90 3m85 s GLU 46 N 2.86 3.95 -0.14 1.98 2.02 -0.96 -1.90 118.70 126.51 3m85 s GLU 46 Ca 0.09 0.45 -0.04 0.00 0.02 0.00 0.00 54.97 55.49 3m85 s GLU 46 Cb -0.13 -3.04 0.06 0.00 0.10 0.00 0.00 34.13 31.12 3m85 s GLU 46 CO -0.20 0.56 0.13 1.41 0.02 0.00 0.00 175.26 177.18 3m85 s MET 47 N -1.66 0.06 2.51 1.61 1.75 0.43 -1.34 119.30 122.67 3m85 s MET 47 Ca 0.33 0.17 0.00 0.00 -1.25 0.00 0.00 55.69 54.94 3m85 s MET 47 Cb -0.16 -1.21 0.00 0.00 2.84 0.00 0.00 34.83 36.30 3m85 s MET 47 CO 0.18 -0.55 0.00 0.41 -0.65 0.00 0.00 175.02 174.41 3m85 n GLY 48 N 5.30 2.87 0.07 2.11 0.00 -0.32 0.23 105.19 115.46 3m85 n GLY 48 Ca -0.06 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3m85 n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m85 n LYS 49 N 14.00 0.23 -1.84 1.61 4.76 -1.26 -4.83 118.16 130.83 3m85 n LYS 49 Ca 0.00 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.15 3m85 n LYS 49 Cb 0.00 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 3m85 n LYS 49 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3m85 s ASN 50 N -4.16 6.48 -0.14 4.39 0.01 0.14 -4.68 114.94 116.97 3m85 s ASN 50 Ca 0.09 2.78 0.01 0.00 -0.71 0.00 0.00 52.86 55.03 3m85 s ASN 50 Cb 0.14 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.21 3m85 s ASN 50 CO 0.64 -0.88 -0.14 -0.54 -1.51 0.00 0.00 177.10 174.67 3m85 s LYS 51 N 0.58 2.27 0.12 -0.60 1.02 -0.39 -0.43 119.74 122.31 3m85 s LYS 51 Ca 0.69 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 56.17 3m85 s LYS 51 Cb -0.46 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.75 3m85 s LYS 51 CO 0.37 -0.21 -0.11 0.14 -0.92 0.00 0.00 175.35 174.62 3m85 s VAL 52 N 1.41 1.12 0.01 3.17 -7.23 -0.80 -0.70 120.40 117.38 3m85 s VAL 52 Ca 0.03 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 3m85 s VAL 52 Cb -0.13 -1.54 -0.01 0.00 0.56 0.00 0.00 36.38 35.26 3m85 s VAL 52 CO -0.09 -0.57 -0.08 -0.51 -0.31 0.00 0.00 175.10 173.54 3m85 s ILE 53 N -2.59 0.59 -0.03 -0.62 2.07 0.81 -1.78 121.20 119.66 3m85 s ILE 53 Ca 0.09 -0.60 0.01 0.00 -1.41 0.00 0.00 60.65 58.75 3m85 s ILE 53 Cb -0.02 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.03 3m85 s ILE 53 CO 0.01 -0.03 -0.04 0.00 -1.91 0.00 0.00 174.94 172.97 3m85 s ALA 54 N -0.59 0.54 0.29 1.50 0.00 -0.42 0.12 121.76 123.20 3m85 s ALA 54 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 51.96 51.99 3m85 s ALA 54 Cb -0.05 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 3m85 s ALA 54 CO 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 175.76 175.77 3m85 s ALA 55 N 0.64 3.15 -0.00 0.00 0.00 -0.37 -1.27 121.76 123.91 3m85 s ALA 55 Ca -0.08 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.11 3m85 s ALA 55 Cb -0.11 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.38 3m85 s ALA 55 CO -0.00 0.21 0.02 0.08 0.00 0.00 0.00 175.76 176.06 3m85 s VAL 56 N -2.40 0.02 -0.09 0.00 1.01 0.10 -2.03 120.40 117.02 3m85 s VAL 56 Ca 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3m85 s VAL 56 Cb -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.28 3m85 s VAL 56 CO 0.19 -0.10 0.06 -0.36 0.00 0.00 0.00 175.10 174.90 3m85 s PHE 57 N -0.28 0.22 -4.22 5.22 0.40 -0.26 -1.51 117.98 117.56 3m85 s PHE 57 Ca -0.03 -0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 3m85 s PHE 57 Cb -0.02 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.90 3m85 s PHE 57 CO -0.00 -0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.01 3m85 n GLY 58 N 5.26 0.89 3.77 4.36 0.00 -1.26 -1.25 105.19 116.96 3m85 n GLY 58 Ca -0.05 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3m85 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m85 s PRO 59 N -1.63 3.90 0.22 1.61 0.04 -1.26 -4.98 135.00 132.90 3m85 s PRO 59 Ca 0.00 2.35 -0.00 0.00 0.04 0.00 0.00 61.00 63.39 3m85 s PRO 59 Cb 0.00 -2.77 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 3m85 s PRO 59 CO 0.00 -0.62 0.11 -0.98 0.04 0.00 0.00 177.00 175.55 3m85 s ARG 60 N -2.28 1.27 0.74 4.56 1.70 -0.64 -4.89 118.95 119.40 3m85 s ARG 60 Ca 0.57 -1.67 -0.15 0.00 -0.47 0.00 0.00 55.73 54.02 3m85 s ARG 60 Cb -0.42 0.05 0.04 0.00 -0.57 0.00 0.00 34.95 34.05 3m85 s ARG 60 CO 0.55 -0.34 1.20 -1.83 -1.08 0.00 0.00 175.30 173.79 3m85 s GLU 61 N -4.10 2.13 -0.24 3.89 -1.05 -1.26 -0.67 118.70 117.39 3m85 s GLU 61 Ca 0.38 1.72 -0.00 0.00 -0.15 0.00 0.00 54.97 56.91 3m85 s GLU 61 Cb 0.07 -1.84 0.07 0.00 -0.44 0.00 0.00 34.13 32.00 3m85 s GLU 61 CO 0.12 -1.84 0.01 0.54 0.95 0.00 0.00 175.26 175.04 3m85 s VAL 62 N -2.05 1.14 -0.08 1.83 0.11 -1.26 -4.67 120.40 115.40 3m85 s VAL 62 Ca 0.73 -1.10 -0.11 0.00 -2.93 0.00 0.00 61.98 58.58 3m85 s VAL 62 Cb -0.28 -1.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.95 3m85 s VAL 62 CO 0.46 -0.26 0.25 -2.28 -3.33 0.00 0.00 175.10 169.94 3m85 s HIS 63 N 1.56 3.63 0.12 1.54 2.46 -1.26 -2.31 115.29 121.02 3m85 s HIS 63 Ca -0.01 0.70 -0.18 0.00 0.47 0.00 0.00 55.06 56.04 3m85 s HIS 63 Cb -0.18 -2.11 -0.04 0.00 -0.13 0.00 0.00 32.58 30.11 3m85 s HIS 63 CO -0.10 0.64 1.68 -1.00 -2.47 0.00 0.00 174.74 173.48 3m85 h PRO 64 N 5.11 0.43 0.00 2.88 0.13 -1.99 -3.50 132.00 135.07 3m85 h PRO 64 Ca -0.52 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 3m85 h PRO 64 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3m85 h PRO 64 CO 0.62 0.43 0.00 -0.85 -0.23 0.00 0.00 178.00 177.96 3m85 n GLU 65 N -4.76 0.00 0.25 0.86 0.28 -0.98 -4.80 120.64 111.49 3m85 n GLU 65 Ca -0.02 0.00 0.16 0.00 -0.16 0.00 0.00 57.16 57.14 3m85 n GLU 65 Cb 0.12 0.00 0.64 0.00 1.43 0.00 0.00 31.44 33.63 3m85 n GLU 65 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 3m85 h HIS 66 N 0.00 0.00 0.00 -1.84 2.07 -1.97 -2.60 115.15 110.81 3m85 h HIS 66 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3m85 h HIS 66 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3m85 h HIS 66 CO 0.00 0.00 -0.55 1.28 -3.07 0.00 0.00 177.93 175.59 3m85 n LEU 67 N -2.96 0.54 -4.79 6.12 4.77 -1.26 -4.93 117.00 114.49 3m85 n LEU 67 Ca 0.01 0.05 -0.32 0.00 -0.03 0.00 0.00 56.01 55.71 3m85 n LEU 67 Cb 0.30 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 3m85 n LEU 67 CO 0.26 0.08 0.72 0.00 -1.33 0.00 0.00 177.39 177.13 3m85 s GLN 68 N -3.04 2.97 -0.15 3.23 -2.07 -0.98 -5.00 119.66 114.61 3m85 s GLN 68 Ca 0.10 1.25 0.01 0.00 -1.82 0.00 0.00 55.36 54.90 3m85 s GLN 68 Cb 0.17 -1.98 0.00 0.00 -1.09 0.00 0.00 33.01 30.11 3m85 s GLN 68 CO 0.71 -1.09 -0.18 0.34 -1.32 0.00 0.00 175.29 173.75 3m85 s ASP 69 N -2.86 3.43 0.25 12.60 -1.08 -1.26 -5.00 116.67 122.75 3m85 s ASP 69 Ca 0.64 -0.53 -0.03 0.00 -0.52 0.00 0.00 52.55 52.11 3m85 s ASP 69 Cb -0.18 -1.51 0.46 0.00 -1.46 0.00 0.00 42.92 40.23 3m85 s ASP 69 CO 0.42 0.08 1.76 -0.65 0.52 0.00 0.00 175.17 177.30 3m85 h PRO 70 N 7.33 0.57 0.00 4.34 0.11 -1.97 -1.98 132.00 140.40 3m85 h PRO 70 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3m85 h PRO 70 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3m85 h PRO 70 CO 0.56 0.38 -1.35 0.43 -0.21 0.00 0.00 178.00 177.81 3m85 n SER 71 N -4.89 0.65 -3.82 -2.05 7.64 -1.26 -4.06 113.62 105.82 3m85 n SER 71 Ca 0.15 -0.63 -0.09 0.00 1.01 0.00 0.00 58.87 59.31 3m85 n SER 71 Cb 0.38 1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 64.91 3m85 n SER 71 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3m85 s LYS 72 N -3.17 1.56 0.68 1.43 -2.85 -1.18 -4.55 119.74 111.67 3m85 s LYS 72 Ca 0.02 -0.97 -0.11 0.00 -1.00 0.00 0.00 55.97 53.91 3m85 s LYS 72 Cb 0.15 0.55 -0.00 0.00 -2.06 0.00 0.00 37.83 36.47 3m85 s LYS 72 CO 0.87 -0.68 1.06 0.00 0.10 0.00 0.00 175.35 176.70 3m85 s ALA 73 N -3.91 2.77 0.13 0.59 0.00 -0.65 -3.52 121.76 117.17 3m85 s ALA 73 Ca 0.12 0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.18 3m85 s ALA 73 Cb -0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 3m85 s ALA 73 CO 0.03 -1.12 -0.14 0.96 0.00 0.00 0.00 175.76 175.49 3m85 s ILE 74 N -3.09 3.06 -0.05 0.00 -4.36 0.38 -4.90 121.20 112.24 3m85 s ILE 74 Ca 0.57 -1.50 0.07 0.00 -0.26 0.00 0.00 60.65 59.53 3m85 s ILE 74 Cb -0.13 -2.44 -0.01 0.00 1.25 0.00 0.00 42.46 41.12 3m85 s ILE 74 CO 0.55 0.04 -0.25 -0.63 0.24 0.00 0.00 174.94 174.89 3m85 s ILE 75 N -1.32 2.04 0.04 8.37 -1.09 -1.26 -1.45 121.20 126.52 3m85 s ILE 75 Ca 0.21 -1.07 0.03 0.00 -2.23 0.00 0.00 60.65 57.58 3m85 s ILE 75 Cb -0.10 -1.72 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 3m85 s ILE 75 CO 0.12 0.57 -0.09 0.00 -1.23 0.00 0.00 174.94 174.31 3m85 s ARG 76 N -0.27 0.60 -0.13 2.79 1.70 -0.89 -5.01 118.95 117.74 3m85 s ARG 76 Ca -0.00 -0.68 -0.05 0.00 -0.47 0.00 0.00 55.73 54.53 3m85 s ARG 76 Cb -0.13 -0.47 0.06 0.00 -0.57 0.00 0.00 34.95 33.85 3m85 s ARG 76 CO 0.03 0.10 0.26 -0.47 -1.08 0.00 0.00 175.30 174.14 3m85 s TYR 77 N -1.07 -0.41 -0.23 5.89 5.04 -1.25 0.70 117.35 126.03 3m85 s TYR 77 Ca -0.05 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.55 3m85 s TYR 77 Cb -0.08 -0.04 0.04 0.00 0.35 0.00 0.00 41.96 42.23 3m85 s TYR 77 CO 0.01 -0.35 -0.14 0.50 -1.34 0.00 0.00 175.55 174.23 3m85 s ARG 78 N 2.37 2.65 -0.29 4.97 3.52 -0.72 -4.78 118.95 126.67 3m85 s ARG 78 Ca 0.01 -1.08 -0.17 0.00 -0.13 0.00 0.00 55.73 54.36 3m85 s ARG 78 Cb -0.12 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.47 3m85 s ARG 78 CO -0.08 -0.40 0.49 -0.47 -0.81 0.00 0.00 175.30 174.03 3m85 s TYR 79 N 1.22 3.24 -0.07 5.12 5.04 -1.26 -1.78 117.35 128.85 3m85 s TYR 79 Ca -0.02 0.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.08 3m85 s TYR 79 Cb -0.17 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.42 3m85 s TYR 79 CO -0.08 -0.34 -0.03 1.21 -1.34 0.00 0.00 175.55 174.97 3m85 s ASN 80 N 1.62 1.59 -0.63 4.32 3.04 -0.77 -4.90 114.94 119.22 3m85 s ASN 80 Ca 0.19 -0.15 -0.16 0.00 0.04 0.00 0.00 52.86 52.78 3m85 s ASN 80 Cb -0.16 -0.54 0.14 0.00 -1.54 0.00 0.00 41.25 39.15 3m85 s ASN 80 CO 0.10 -0.14 0.63 -0.04 -3.04 0.00 0.00 177.10 174.61 3m85 s MET 81 N 1.65 3.15 0.77 0.43 -1.94 -1.26 -1.05 119.30 121.05 3m85 s MET 81 Ca 0.01 -1.78 -0.17 0.00 -1.71 0.00 0.00 55.69 52.05 3m85 s MET 81 Cb -0.13 -4.34 -0.11 0.00 2.01 0.00 0.00 34.83 32.26 3m85 s MET 81 CO -0.05 -1.39 -0.15 0.00 -0.01 0.00 0.00 175.02 173.43 3m85 n ALA 82 N 5.29 -3.47 -0.14 3.03 0.00 -1.05 -4.87 120.51 119.30 3m85 n ALA 82 Ca -0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 3m85 n ALA 82 Cb 0.42 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 3m85 n ALA 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3m85 h PRO 83 N -0.57 0.62 -0.11 0.00 0.11 -1.90 -2.79 132.00 127.36 3m85 h PRO 83 Ca -0.43 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3m85 h PRO 83 Cb 1.36 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3m85 h PRO 83 CO 0.35 0.60 0.00 1.97 -0.21 0.00 0.00 178.00 180.70 3m85 n PHE 84 N -4.62 0.00 0.03 0.65 -0.00 -1.26 -2.85 117.46 109.41 3m85 n PHE 84 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.39 3m85 n PHE 84 Cb 0.16 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.48 39.51 3m85 n PHE 84 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3m85 h SER 85 N 0.01 0.00 -3.59 5.98 4.64 -1.52 -3.46 113.55 115.61 3m85 h SER 85 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m85 h SER 85 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3m85 h SER 85 CO 0.00 0.92 0.00 1.33 -0.87 0.00 0.00 176.83 178.21 3m85 n VAL 86 N -3.17 0.00 -0.03 0.95 0.24 -1.25 0.14 118.33 115.20 3m85 n VAL 86 Ca -0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.03 3m85 n VAL 86 Cb 0.96 -0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 32.25 3m85 n VAL 86 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3m85 h GLU 87 N 0.00 0.13 -4.65 7.34 3.07 -1.91 -3.42 114.58 115.14 3m85 h GLU 87 Ca 0.00 -0.22 -0.70 0.00 -0.50 0.00 0.00 59.36 57.94 3m85 h GLU 87 Cb 0.00 0.08 -0.28 0.00 -0.84 0.00 0.00 28.75 27.71 3m85 h GLU 87 CO 0.00 1.10 -0.58 -2.00 -1.40 0.00 0.00 179.01 176.13 3m85 s GLU 88 N -2.37 2.65 -0.14 2.33 -6.30 -1.26 -5.04 118.70 108.58 3m85 s GLU 88 Ca -0.21 -1.18 -0.41 0.00 -2.50 0.00 0.00 54.97 50.67 3m85 s GLU 88 Cb 0.02 -3.53 -0.19 0.00 0.00 0.00 0.00 34.13 30.42 3m85 s GLU 88 CO 0.72 -0.69 1.27 -2.13 0.02 0.00 0.00 175.26 174.45 3m85 n ARG 89 N 4.85 0.18 -4.01 4.30 0.63 -1.26 -4.91 116.66 116.45 3m85 n ARG 89 Ca -0.12 0.07 -0.35 0.00 -0.92 0.00 0.00 57.85 56.53 3m85 n ARG 89 Cb 0.45 -1.59 -0.06 0.00 0.45 0.00 0.00 32.46 31.70 3m85 n ARG 89 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3m85 s LYS 90 N 1.01 3.28 0.15 -0.14 -2.85 -1.13 -5.05 119.74 115.01 3m85 s LYS 90 Ca 0.94 -0.31 -0.34 0.00 -1.00 0.00 0.00 55.97 55.27 3m85 s LYS 90 Cb -1.29 -3.03 -0.15 0.00 -2.06 0.00 0.00 37.83 31.30 3m85 s LYS 90 CO 0.63 0.71 1.33 0.54 0.10 0.00 0.00 175.35 178.65 3m85 n ARG 91 N 1.54 1.45 -1.09 1.78 1.74 -1.26 -4.37 116.66 116.44 3m85 n ARG 91 Ca -0.16 0.52 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 3m85 n ARG 91 Cb 0.54 -2.13 0.13 0.00 -1.02 0.00 0.00 32.46 29.97 3m85 n ARG 91 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 3m85 s PRO 92 N 0.11 1.55 0.00 5.56 0.02 -1.26 -4.89 135.00 136.09 3m85 s PRO 92 Ca 0.77 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3m85 s PRO 92 Cb -0.83 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 31.87 3m85 s PRO 92 CO 0.48 -2.13 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 3m85 n GLY 93 N -0.80 -1.52 3.69 0.52 0.00 -1.26 -4.97 105.19 100.85 3m85 n GLY 93 Ca 0.09 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3m85 n GLY 93 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3m85 s PRO 94 N -1.53 4.13 0.48 1.61 0.02 -1.26 -4.99 135.00 133.47 3m85 s PRO 94 Ca 0.00 2.60 0.06 0.00 0.02 0.00 0.00 61.00 63.68 3m85 s PRO 94 Cb 0.00 -3.56 -0.01 0.00 0.02 0.00 0.00 34.50 30.96 3m85 s PRO 94 CO 0.00 -0.84 0.27 0.16 -0.33 0.00 0.00 177.00 176.26 3m85 s ASP 95 N 2.61 4.53 0.38 2.53 -4.77 -1.26 -5.02 116.67 115.66 3m85 s ASP 95 Ca 0.81 -1.20 0.08 0.00 -3.30 0.00 0.00 52.55 48.94 3m85 s ASP 95 Cb -0.46 0.02 0.75 0.00 -1.09 0.00 0.00 42.92 42.14 3m85 s ASP 95 CO 0.36 -0.83 1.92 0.03 0.70 0.00 0.00 175.17 177.35 3m85 h ARG 96 N 1.10 0.33 -0.64 2.11 3.08 -1.99 -2.29 114.38 116.08 3m85 h ARG 96 Ca -0.40 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.57 3m85 h ARG 96 Cb 1.28 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.25 3m85 h ARG 96 CO 0.64 0.42 0.38 -0.09 -1.07 0.00 0.00 179.97 180.25 3m85 h ARG 97 N 0.32 0.87 -0.28 0.04 2.43 -1.99 -1.63 114.38 114.14 3m85 h ARG 97 Ca 0.07 -0.08 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 3m85 h ARG 97 Cb 0.33 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3m85 h ARG 97 CO 0.01 0.63 -0.44 0.77 -1.51 0.00 0.00 179.97 179.43 3m85 h SER 98 N 0.87 0.76 -0.61 -3.80 0.02 -1.81 -1.15 113.55 107.82 3m85 h SER 98 Ca 0.23 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 3m85 h SER 98 Cb -0.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3m85 h SER 98 CO -0.04 1.09 0.20 0.40 -1.14 0.00 0.00 176.83 177.33 3m85 h ILE 99 N 0.56 1.24 0.29 3.27 2.04 -1.24 0.47 117.51 124.15 3m85 h ILE 99 Ca 0.04 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 3m85 h ILE 99 Cb 0.99 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3m85 h ILE 99 CO 0.09 0.31 -0.14 -0.08 0.00 0.00 0.00 178.15 178.34 3m85 h GLU 100 N 0.88 -0.37 -0.83 2.37 4.22 -1.15 -2.12 114.58 117.58 3m85 h GLU 100 Ca 0.20 0.03 0.15 0.00 0.08 0.00 0.00 59.36 59.81 3m85 h GLU 100 Cb 0.28 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 3m85 h GLU 100 CO -0.01 -0.09 0.41 0.82 -2.18 0.00 0.00 179.01 177.96 3m85 h ILE 101 N -0.64 0.70 -0.39 2.32 2.04 -1.04 -1.11 117.51 119.39 3m85 h ILE 101 Ca -0.04 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 3m85 h ILE 101 Cb 0.45 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3m85 h ILE 101 CO 0.06 0.10 -0.15 0.28 0.00 0.00 0.00 178.15 178.45 3m85 h SER 102 N 0.57 0.70 -0.17 1.72 0.02 -0.79 0.86 113.55 116.47 3m85 h SER 102 Ca 0.46 -0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3m85 h SER 102 Cb 0.67 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3m85 h SER 102 CO -0.38 0.87 0.09 0.50 -1.14 0.00 0.00 176.83 176.77 3m85 h LYS 103 N 0.63 0.24 -0.18 3.45 3.64 -0.53 -1.94 116.57 121.89 3m85 h LYS 103 Ca 0.10 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.24 3m85 h LYS 103 Cb 0.62 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 3m85 h LYS 103 CO 0.04 0.25 -0.72 -0.39 -2.27 0.00 0.00 179.45 176.36 3m85 h VAL 104 N 0.17 1.29 -0.65 2.00 -1.51 -1.09 -2.55 116.25 113.91 3m85 h VAL 104 Ca 0.06 -1.93 -0.02 0.00 -1.23 0.00 0.00 66.70 63.58 3m85 h VAL 104 Cb 0.08 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 3m85 h VAL 104 CO -0.01 0.61 0.35 0.28 -1.23 0.00 0.00 177.57 177.57 3m85 h SER 105 N 0.54 0.83 -0.32 4.19 0.02 -0.85 -2.16 113.55 115.80 3m85 h SER 105 Ca -0.04 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3m85 h SER 105 Cb 1.34 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 63.61 3m85 h SER 105 CO 0.15 0.70 -0.09 0.50 -1.14 0.00 0.00 176.83 176.94 3m85 h LYS 106 N 0.90 -0.02 0.00 3.45 3.64 -1.26 -2.64 116.57 120.63 3m85 h LYS 106 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3m85 h LYS 106 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3m85 h LYS 106 CO -0.03 -0.01 -0.05 0.93 -2.27 0.00 0.00 179.45 178.01 3m85 h GLU 107 N -0.02 0.00 0.11 1.90 5.08 -0.97 -0.87 114.58 119.81 3m85 h GLU 107 Ca 0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3m85 h GLU 107 Cb 0.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3m85 h GLU 107 CO -0.34 0.05 -0.07 0.00 -1.00 0.00 0.00 179.01 177.65 3m85 h ALA 108 N 1.95 -0.17 0.00 3.43 0.00 -1.08 -2.45 119.26 120.95 3m85 h ALA 108 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m85 h ALA 108 Cb 0.10 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3m85 h ALA 108 CO 0.01 -0.60 0.00 0.74 0.00 0.00 0.00 179.25 179.39 3m85 h PHE 109 N -0.19 0.00 0.00 0.00 -1.00 -1.44 -2.73 116.94 111.58 3m85 h PHE 109 Ca -0.01 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 3m85 h PHE 109 Cb 0.16 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 3m85 h PHE 109 CO -0.09 0.00 -0.23 0.93 -1.61 0.00 0.00 178.31 177.30 3m85 h GLU 110 N 0.00 0.00 0.00 1.51 5.08 -0.70 0.78 114.58 121.25 3m85 h GLU 110 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 3m85 h GLU 110 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3m85 h GLU 110 CO 0.00 0.23 -0.52 0.00 -1.00 0.00 0.00 179.01 177.73 3m85 h ALA 111 N 1.77 1.05 0.00 3.43 0.00 -1.26 -3.38 119.26 120.86 3m85 h ALA 111 Ca -0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.19 3m85 h ALA 111 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3m85 h ALA 111 CO 0.03 0.64 -1.90 0.28 0.00 0.00 0.00 179.25 178.30 3m85 n VAL 112 N -3.78 0.90 -1.83 0.00 0.31 -0.83 -4.94 118.33 108.16 3m85 n VAL 112 Ca -0.01 -0.30 -0.41 0.00 -0.01 0.00 0.00 64.34 63.61 3m85 n VAL 112 Cb 0.55 -1.29 -0.01 0.00 -0.91 0.00 0.00 33.84 32.18 3m85 n VAL 112 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3m85 s ILE 113 N -2.31 2.14 -1.34 2.52 1.01 0.21 -1.49 121.20 121.94 3m85 s ILE 113 Ca -0.22 0.13 -0.08 0.00 0.00 0.00 0.00 60.65 60.48 3m85 s ILE 113 Cb 0.07 -3.08 0.12 0.00 0.01 0.00 0.00 42.46 39.57 3m85 s ILE 113 CO 0.33 0.03 2.18 0.23 0.00 0.00 0.00 174.94 177.71 3m85 n MET 114 N 1.27 3.90 -0.33 2.79 2.81 -1.09 -4.80 117.12 121.67 3m85 n MET 114 Ca 0.04 -3.31 0.26 0.00 -1.81 0.00 0.00 57.70 52.87 3m85 n MET 114 Cb 0.39 -2.84 0.50 0.00 -0.71 0.00 0.00 33.22 30.56 3m85 n MET 114 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3m85 h LYS 115 N 5.30 0.25 0.00 0.03 1.57 -1.88 -2.02 116.57 119.82 3m85 h LYS 115 Ca 0.56 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 3m85 h LYS 115 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3m85 h LYS 115 CO 1.61 0.17 0.23 0.93 -0.57 0.00 0.00 179.45 181.82 3m85 h GLU 116 N 0.26 0.00 0.00 3.15 3.07 -1.87 -1.55 114.58 117.64 3m85 h GLU 116 Ca 0.76 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.62 3m85 h GLU 116 Cb 1.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 3m85 h GLU 116 CO -0.63 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.26 3m85 n LEU 117 N -2.85 0.50 -3.25 1.33 4.77 -0.76 -4.16 117.00 112.59 3m85 n LEU 117 Ca -0.02 0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 56.29 3m85 n LEU 117 Cb 0.28 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 3m85 n LEU 117 CO 0.14 -0.30 -0.30 0.49 -1.33 0.00 0.00 177.39 176.10 3m85 n PHE 118 N -2.00 -0.41 -1.59 -1.77 3.01 -0.83 -5.07 117.46 108.79 3m85 n PHE 118 Ca 0.04 -3.51 -0.37 0.00 1.01 0.00 0.00 57.45 54.62 3m85 n PHE 118 Cb 0.30 -0.21 0.07 0.00 -0.01 0.00 0.00 39.48 39.63 3m85 n PHE 118 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3m85 n PRO 119 N 1.75 0.87 -1.83 -1.08 -0.02 -1.26 -2.37 135.00 131.05 3m85 n PRO 119 Ca 0.23 0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 3m85 n PRO 119 Cb 0.51 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3m85 n PRO 119 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3m85 n ARG 120 N -1.65 -1.40 -4.59 -0.52 1.74 -0.75 -4.84 116.66 104.66 3m85 n ARG 120 Ca 0.15 1.09 -0.27 0.00 -0.77 0.00 0.00 57.85 58.05 3m85 n ARG 120 Cb 0.48 -5.49 -0.10 0.00 -1.02 0.00 0.00 32.46 26.34 3m85 n ARG 120 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3m85 s SER 121 N -2.58 3.34 -0.09 0.55 0.01 -1.14 -4.38 113.70 109.41 3m85 s SER 121 Ca 0.00 -1.48 -0.01 0.00 1.31 0.00 0.00 55.95 55.77 3m85 s SER 121 Cb 0.00 0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.28 3m85 s SER 121 CO 0.00 -0.65 -0.02 0.00 0.41 0.00 0.00 173.24 172.98 3m85 s ALA 122 N -2.99 0.90 -0.14 1.44 0.00 0.16 -0.47 121.76 120.65 3m85 s ALA 122 Ca 0.27 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.75 3m85 s ALA 122 Cb 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3m85 s ALA 122 CO 0.13 -0.48 0.61 0.42 0.00 0.00 0.00 175.76 176.45 3m85 s ILE 123 N 1.89 5.07 0.05 0.00 1.09 -0.53 -1.62 121.20 127.16 3m85 s ILE 123 Ca 0.05 1.19 0.09 0.00 -1.10 0.00 0.00 60.65 60.88 3m85 s ILE 123 Cb -0.13 -3.94 -0.03 0.00 -1.06 0.00 0.00 42.46 37.31 3m85 s ILE 123 CO -0.06 0.20 -0.24 -1.81 -0.10 0.00 0.00 174.94 172.93 3m85 s ASP 124 N 0.94 3.37 -0.07 3.58 1.01 -0.38 -2.10 116.67 123.02 3m85 s ASP 124 Ca 0.30 -0.56 0.01 0.00 0.71 0.00 0.00 52.55 53.01 3m85 s ASP 124 Cb -0.16 -0.38 0.02 0.00 1.01 0.00 0.00 42.92 43.41 3m85 s ASP 124 CO 0.12 0.25 -0.09 -0.63 0.21 0.00 0.00 175.17 175.03 3m85 s ILE 125 N -0.87 0.97 -0.11 0.77 1.01 0.22 -1.10 121.20 122.09 3m85 s ILE 125 Ca 0.13 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.46 3m85 s ILE 125 Cb -0.10 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.44 3m85 s ILE 125 CO 0.03 0.33 -0.23 -0.36 0.00 0.00 0.00 174.94 174.72 3m85 s PHE 126 N 0.97 2.60 -0.10 3.97 0.40 -0.86 -1.75 117.98 123.20 3m85 s PHE 126 Ca -0.09 -1.07 0.03 0.00 -0.60 0.00 0.00 56.93 55.20 3m85 s PHE 126 Cb -0.15 -1.74 0.01 0.00 0.51 0.00 0.00 43.02 41.65 3m85 s PHE 126 CO 0.00 -0.44 -0.18 0.08 0.70 0.00 0.00 175.22 175.38 3m85 s VAL 127 N 0.43 1.69 -0.23 -0.44 1.01 -0.73 -1.24 120.40 120.89 3m85 s VAL 127 Ca -0.16 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.04 3m85 s VAL 127 Cb -0.17 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.73 3m85 s VAL 127 CO 0.07 0.48 -0.12 -0.70 0.00 0.00 0.00 175.10 174.83 3m85 s GLU 128 N 0.72 2.79 -0.65 2.72 2.56 0.31 -1.84 118.70 125.31 3m85 s GLU 128 Ca -0.11 -0.99 -0.25 0.00 0.00 0.00 0.00 54.97 53.62 3m85 s GLU 128 Cb -0.16 -2.83 0.05 0.00 2.00 0.00 0.00 34.13 33.19 3m85 s GLU 128 CO 0.02 -0.36 1.08 0.08 -0.56 0.00 0.00 175.26 175.52 3m85 s VAL 129 N 1.27 4.12 0.06 3.70 1.01 -0.21 -0.14 120.40 130.21 3m85 s VAL 129 Ca 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 3m85 s VAL 129 Cb -0.16 -4.73 -0.22 0.00 0.00 0.00 0.00 36.38 31.27 3m85 s VAL 129 CO -0.07 -1.50 1.18 -0.07 0.00 0.00 0.00 175.10 174.64 3m85 h LEU 130 N 11.85 0.80 -7.62 3.92 3.38 -1.23 -2.79 115.31 123.63 3m85 h LEU 130 Ca -0.28 -0.72 -0.35 0.00 0.09 0.00 0.00 57.88 56.62 3m85 h LEU 130 Cb 1.06 -0.24 -0.34 0.00 0.09 0.00 0.00 40.66 41.23 3m85 h LEU 130 CO 1.19 1.41 -0.75 -1.58 0.09 0.00 0.00 178.44 178.81 3m85 s GLN 131 N -3.37 0.34 0.12 1.13 0.74 -0.85 -3.48 119.66 114.29 3m85 s GLN 131 Ca -0.11 0.06 -0.03 0.00 0.05 0.00 0.00 55.36 55.33 3m85 s GLN 131 Cb 0.06 -0.50 -0.05 0.00 1.10 0.00 0.00 33.01 33.62 3m85 s GLN 131 CO 0.89 -0.13 0.32 0.00 -0.55 0.00 0.00 175.29 175.82 3m85 s ALA 132 N 1.00 3.87 0.16 1.58 0.00 0.36 -1.26 121.76 127.46 3m85 s ALA 132 Ca -0.10 -0.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 3m85 s ALA 132 Cb -0.14 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.05 3m85 s ALA 132 CO -0.02 0.70 1.02 -3.47 0.00 0.00 0.00 175.76 173.99 3m85 n ASP 133 N 0.07 -1.62 -4.36 0.00 2.03 -1.26 -4.67 116.55 106.73 3m85 n ASP 133 Ca -0.03 -1.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.10 3m85 n ASP 133 Cb 0.52 2.63 0.05 0.00 -0.72 0.00 0.00 41.12 43.60 3m85 n ASP 133 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3m85 n ALA 134 N -0.87 -2.34 -3.28 -1.67 0.00 -1.26 -3.01 120.51 108.08 3m85 n ALA 134 Ca -0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 52.90 3m85 n ALA 134 Cb 0.56 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3m85 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m85 n GLY 135 N 2.06 -0.78 0.10 0.00 0.00 -1.26 -4.84 105.19 100.48 3m85 n GLY 135 Ca 0.08 0.39 0.08 0.00 0.00 0.00 0.00 46.02 46.57 3m85 n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m85 n SER 136 N -1.38 0.78 0.26 1.61 3.41 -1.16 -3.53 113.62 113.60 3m85 n SER 136 Ca -0.20 0.31 0.14 0.00 -0.26 0.00 0.00 58.87 58.86 3m85 n SER 136 Cb 0.43 0.49 0.68 0.00 -0.26 0.00 0.00 64.21 65.55 3m85 n SER 136 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3m85 h ARG 137 N 0.00 0.00 0.22 4.33 0.11 -1.89 0.25 114.38 117.40 3m85 h ARG 137 Ca -0.06 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.72 3m85 h ARG 137 Cb 1.19 0.00 0.03 0.00 1.11 0.00 0.00 29.97 32.30 3m85 h ARG 137 CO 0.01 0.12 -1.38 1.79 0.10 0.00 0.00 179.97 180.61 3m85 h THR 138 N 0.00 1.27 0.09 0.08 1.35 -1.93 -2.15 112.91 111.62 3m85 h THR 138 Ca -0.00 -2.62 0.02 0.00 -0.55 0.00 0.00 66.41 63.26 3m85 h THR 138 Cb 0.47 3.03 -0.04 0.00 -1.73 0.00 0.00 68.15 69.87 3m85 h THR 138 CO 0.02 0.79 -0.36 0.00 -0.25 0.00 0.00 175.52 175.72 3m85 h ALA 139 N 0.12 -0.60 -0.40 6.62 0.00 -1.50 -0.72 119.26 122.78 3m85 h ALA 139 Ca -0.25 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3m85 h ALA 139 Cb 2.03 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 20.34 3m85 h ALA 139 CO 0.23 -0.90 -0.13 0.00 0.00 0.00 0.00 179.25 178.44 3m85 h LEU 141 N -0.05 0.41 -0.53 0.00 3.38 -1.15 0.18 115.31 117.55 3m85 h LEU 141 Ca 0.19 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3m85 h LEU 141 Cb 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3m85 h LEU 141 CO -0.44 0.27 0.29 0.78 0.09 0.00 0.00 178.44 179.44 3m85 h ASN 142 N 0.54 0.66 -0.56 -0.43 2.35 -0.13 -2.45 115.58 115.56 3m85 h ASN 142 Ca 0.25 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 3m85 h ASN 142 Cb 0.16 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3m85 h ASN 142 CO -0.17 0.57 0.20 0.00 -1.65 0.00 0.00 177.43 176.38 3m85 h ALA 143 N 1.12 1.23 -0.36 -0.83 0.00 0.05 -2.65 119.26 117.82 3m85 h ALA 143 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3m85 h ALA 143 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3m85 h ALA 143 CO -0.03 0.55 -0.15 0.00 0.00 0.00 0.00 179.25 179.62 3m85 h ALA 144 N 1.35 1.06 -0.22 0.00 0.00 -0.39 -1.65 119.26 119.40 3m85 h ALA 144 Ca 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3m85 h ALA 144 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3m85 h ALA 144 CO -0.01 0.57 -0.49 1.03 0.00 0.00 0.00 179.25 180.35 3m85 h SER 145 N 0.59 0.67 0.16 0.00 0.87 -1.11 0.58 113.55 115.31 3m85 h SER 145 Ca 0.10 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 3m85 h SER 145 Cb 0.60 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 3m85 h SER 145 CO 0.04 1.05 -0.08 0.58 -0.53 0.00 0.00 176.83 177.89 3m85 h VAL 146 N 0.48 0.89 -0.69 2.23 2.07 -1.38 -1.85 116.25 118.01 3m85 h VAL 146 Ca 0.02 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3m85 h VAL 146 Cb 1.03 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3m85 h VAL 146 CO 0.10 0.05 0.36 0.00 0.02 0.00 0.00 177.57 178.10 3m85 h ALA 147 N 0.50 0.93 -0.49 1.67 0.00 -0.86 0.70 119.26 121.70 3m85 h ALA 147 Ca -0.02 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.01 3m85 h ALA 147 Cb 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3m85 h ALA 147 CO 0.04 -0.01 0.12 -0.07 0.00 0.00 0.00 179.25 179.33 3m85 h LEU 148 N 0.63 0.05 -0.05 0.00 -0.00 0.32 -0.71 115.31 115.55 3m85 h LEU 148 Ca 0.32 0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 58.23 3m85 h LEU 148 Cb 0.28 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 3m85 h LEU 148 CO -0.23 0.06 -0.17 0.58 -0.00 0.00 0.00 178.44 178.68 3m85 h VAL 149 N 0.27 1.45 -1.05 1.22 2.07 -0.34 -1.85 116.25 118.01 3m85 h VAL 149 Ca 0.25 -1.58 0.30 0.00 0.82 0.00 0.00 66.70 66.48 3m85 h VAL 149 Cb 0.31 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 3m85 h VAL 149 CO -0.30 0.44 0.75 -0.78 0.02 0.00 0.00 177.57 177.70 3m85 h ASP 150 N -0.33 0.07 0.07 0.57 -0.00 -0.87 0.81 116.42 116.75 3m85 h ASP 150 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 3m85 h ASP 150 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.13 3m85 h ASP 150 CO 0.04 0.02 -0.06 0.00 -0.00 0.00 0.00 179.24 179.23 3m85 n ALA 151 N -2.70 2.70 -1.67 -0.78 0.00 -0.28 -4.71 120.51 113.07 3m85 n ALA 151 Ca 0.23 -0.39 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 3m85 n ALA 151 Cb 1.08 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 3m85 n ALA 151 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m85 n GLY 152 N 1.20 1.14 3.66 0.00 0.00 0.28 -4.92 105.19 106.56 3m85 n GLY 152 Ca 0.18 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 3m85 n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3m85 s VAL 153 N -2.64 4.11 0.27 1.61 -7.23 -1.05 -4.94 120.40 110.53 3m85 s VAL 153 Ca 0.00 1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 61.23 3m85 s VAL 153 Cb 0.00 -3.87 -0.14 0.00 0.56 0.00 0.00 36.38 32.93 3m85 s VAL 153 CO 0.00 -0.11 1.09 -2.65 -0.31 0.00 0.00 175.10 173.12 3m85 n PRO 154 N 6.63 1.44 -3.81 4.82 -0.02 -1.26 -4.80 135.00 138.00 3m85 n PRO 154 Ca 0.14 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3m85 n PRO 154 Cb 0.44 -1.93 -0.09 0.00 -0.02 0.00 0.00 33.50 31.90 3m85 n PRO 154 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3m85 s MET 155 N -1.30 0.67 0.44 -0.52 -1.94 -1.26 -2.67 119.30 112.71 3m85 s MET 155 Ca 0.61 -0.42 0.24 0.00 -1.71 0.00 0.00 55.69 54.42 3m85 s MET 155 Cb -0.71 0.29 0.82 0.00 2.01 0.00 0.00 34.83 37.23 3m85 s MET 155 CO 0.58 -0.19 1.78 0.87 -0.01 0.00 0.00 175.02 178.05 3m85 h LYS 156 N 3.70 0.00 0.00 2.03 1.57 -1.61 -3.48 116.57 118.78 3m85 h LYS 156 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3m85 h LYS 156 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3m85 h LYS 156 CO 0.44 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.94 3m85 n GLY 157 N 0.36 -0.30 3.90 3.86 0.00 -1.26 -4.92 105.19 106.82 3m85 n GLY 157 Ca 0.01 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 3m85 n GLY 157 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m85 s MET 158 N -2.00 2.08 -0.03 1.61 -1.94 -1.05 -4.81 119.30 113.15 3m85 s MET 158 Ca 0.00 0.14 0.04 0.00 -1.71 0.00 0.00 55.69 54.16 3m85 s MET 158 Cb 0.00 -1.97 -0.00 0.00 2.01 0.00 0.00 34.83 34.87 3m85 s MET 158 CO 0.00 -1.52 -0.15 0.42 -0.01 0.00 0.00 175.02 173.77 3m85 s ILE 159 N -3.54 1.21 0.03 2.53 1.01 -1.26 -1.01 121.20 120.16 3m85 s ILE 159 Ca 0.61 -0.61 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 3m85 s ILE 159 Cb -0.11 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3m85 s ILE 159 CO 0.49 0.35 0.08 -0.89 0.00 0.00 0.00 174.94 174.98 3m85 s THR 160 N -0.00 0.12 -0.05 2.92 2.01 -0.90 -4.76 115.64 114.98 3m85 s THR 160 Ca -0.02 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 60.77 3m85 s THR 160 Cb -0.10 -0.76 0.04 0.00 0.01 0.00 0.00 72.50 71.69 3m85 s THR 160 CO 0.01 -0.57 0.42 -0.94 -0.69 0.00 0.00 174.62 172.86 3m85 s SER 161 N -1.94 -0.35 0.10 3.53 1.04 -1.26 -0.25 113.70 114.57 3m85 s SER 161 Ca -0.08 0.38 -0.06 0.00 0.48 0.00 0.00 55.95 56.67 3m85 s SER 161 Cb -0.03 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3m85 s SER 161 CO -0.03 -0.44 0.14 -0.69 0.98 0.00 0.00 173.24 173.21 3m85 s VAL 162 N -1.02 0.14 -0.01 5.02 1.01 -1.09 -4.85 120.40 119.60 3m85 s VAL 162 Ca -0.11 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.44 3m85 s VAL 162 Cb -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3m85 s VAL 162 CO 0.05 -0.63 -0.01 0.00 0.00 0.00 0.00 175.10 174.50 3m85 s ALA 163 N -3.92 3.22 -0.16 5.51 0.00 -1.26 -0.50 121.76 124.66 3m85 s ALA 163 Ca 0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 3m85 s ALA 163 Cb 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 3m85 s ALA 163 CO -0.07 0.63 0.06 0.08 0.00 0.00 0.00 175.76 176.46 3m85 s VAL 164 N -1.04 4.75 0.00 0.00 1.01 -0.57 -0.18 120.40 124.37 3m85 s VAL 164 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3m85 s VAL 164 Cb -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3m85 s VAL 164 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3m85 n GLY 165 N 3.09 2.99 2.91 4.51 0.00 0.69 -1.55 105.19 117.83 3m85 n GLY 165 Ca -0.17 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 3m85 n GLY 165 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m85 s LYS 166 N -1.06 0.36 -0.04 1.61 2.20 -1.04 -2.14 119.74 119.63 3m85 s LYS 166 Ca 0.00 0.42 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 3m85 s LYS 166 Cb 0.00 -0.46 -0.01 0.00 -1.51 0.00 0.00 37.83 35.85 3m85 s LYS 166 CO 0.00 -0.74 -0.23 0.00 -0.36 0.00 0.00 175.35 174.02 3m85 s ALA 167 N 2.54 1.99 -1.52 3.13 0.00 0.07 -0.00 121.76 127.96 3m85 s ALA 167 Ca 0.12 -0.98 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 3m85 s ALA 167 Cb -0.15 -0.58 0.17 0.00 0.00 0.00 0.00 23.12 22.56 3m85 s ALA 167 CO -0.19 0.42 0.55 -0.25 0.00 0.00 0.00 175.76 176.29 3m85 n ASP 168 N 2.80 -2.30 0.00 0.00 10.43 -1.26 0.00 116.55 126.22 3m85 n ASP 168 Ca -0.17 -0.85 0.00 0.00 2.57 0.00 0.00 54.79 56.34 3m85 n ASP 168 Cb 0.52 -1.96 0.00 0.00 1.84 0.00 0.00 41.12 41.52 3m85 n ASP 168 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3m85 n GLY 169 N -1.07 3.29 3.83 0.44 0.00 -1.26 -5.02 105.19 105.39 3m85 n GLY 169 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3m85 n GLY 169 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3m85 s GLN 170 N -0.59 3.73 0.05 1.61 0.74 0.10 -5.06 119.66 120.24 3m85 s GLN 170 Ca 0.00 -0.01 -0.30 0.00 0.05 0.00 0.00 55.36 55.09 3m85 s GLN 170 Cb 0.00 -3.25 -0.09 0.00 1.10 0.00 0.00 33.01 30.77 3m85 s GLN 170 CO 0.00 0.63 1.91 -0.51 -0.55 0.00 0.00 175.29 176.77 3m85 s LEU 171 N -0.67 4.42 0.18 3.68 1.02 -1.26 -0.75 118.68 125.29 3m85 s LEU 171 Ca 0.16 2.65 0.07 0.00 0.02 0.00 0.00 54.13 57.02 3m85 s LEU 171 Cb -0.13 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.50 3m85 s LEU 171 CO 0.05 -1.03 0.04 0.68 0.02 0.00 0.00 176.35 176.11 3m85 s VAL 172 N 4.07 3.94 0.11 -1.59 -7.23 -0.91 -4.85 120.40 113.94 3m85 s VAL 172 Ca 0.85 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.66 3m85 s VAL 172 Cb -0.42 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.47 3m85 s VAL 172 CO 0.39 -0.12 0.31 -0.22 -0.31 0.00 0.00 175.10 175.15 3m85 s LEU 173 N -3.03 4.30 -0.67 1.32 2.96 0.54 -0.23 118.68 123.89 3m85 s LEU 173 Ca 0.29 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3m85 s LEU 173 Cb -0.09 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.45 3m85 s LEU 173 CO 0.20 0.09 0.49 -0.67 -1.32 0.00 0.00 176.35 175.15 3m85 n ASP 174 N 0.11 -3.94 -4.77 3.68 4.64 0.74 -4.78 116.55 112.24 3m85 n ASP 174 Ca -0.04 -0.78 -0.41 0.00 -1.38 0.00 0.00 54.79 52.18 3m85 n ASP 174 Cb 0.52 -1.30 -0.01 0.00 -1.04 0.00 0.00 41.12 39.29 3m85 n ASP 174 CO 0.00 0.00 0.00 -2.84 -0.82 0.00 0.00 177.20 173.54 3m85 s PRO 175 N -4.35 4.16 0.40 -0.67 0.02 -1.25 -4.68 135.00 128.63 3m85 s PRO 175 Ca 0.01 2.50 0.07 0.00 0.02 0.00 0.00 61.00 63.60 3m85 s PRO 175 Cb -0.00 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.53 3m85 s PRO 175 CO 0.74 -0.47 0.54 0.00 -0.33 0.00 0.00 177.00 177.48 3m85 s MET 176 N -1.82 2.92 0.10 5.54 0.23 -1.26 -4.43 119.30 120.57 3m85 s MET 176 Ca 0.53 -1.14 -0.20 0.00 -1.03 0.00 0.00 55.69 53.85 3m85 s MET 176 Cb -0.45 -2.77 -0.05 0.00 -1.53 0.00 0.00 34.83 30.02 3m85 s MET 176 CO 0.59 -0.17 1.35 -0.22 -2.03 0.00 0.00 175.02 174.54 3m85 h LYS 177 N 0.70 -0.09 -0.31 3.16 3.64 -1.94 -1.37 116.57 120.36 3m85 h LYS 177 Ca -0.42 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.03 3m85 h LYS 177 Cb 1.27 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3m85 h LYS 177 CO 0.48 -0.06 0.22 0.93 -2.27 0.00 0.00 179.45 178.75 3m85 h GLU 178 N -0.09 0.11 0.00 1.90 4.39 -1.99 0.17 114.58 119.07 3m85 h GLU 178 Ca 0.08 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3m85 h GLU 178 Cb 0.31 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3m85 h GLU 178 CO -0.53 0.08 -0.37 -0.85 -1.16 0.00 0.00 179.01 176.18 3m85 n GLU 179 N -4.47 0.17 0.12 2.33 0.28 -0.60 -2.37 120.64 116.10 3m85 n GLU 179 Ca 0.04 0.08 0.12 0.00 -0.16 0.00 0.00 57.16 57.23 3m85 n GLU 179 Cb 0.30 -1.64 0.03 0.00 1.43 0.00 0.00 31.44 31.57 3m85 n GLU 179 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 3m85 h ASP 180 N 0.00 0.00 0.25 -1.84 3.58 0.15 -2.39 116.42 116.18 3m85 h ASP 180 Ca 0.00 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 3m85 h ASP 180 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3m85 h ASP 180 CO 0.00 0.01 -1.78 0.59 -2.88 0.00 0.00 179.24 175.17 3m85 n ASN 181 N -2.69 0.23 0.00 2.28 4.13 -0.50 -4.50 115.26 114.21 3m85 n ASN 181 Ca 0.01 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.36 3m85 n ASN 181 Cb 0.54 1.49 0.00 0.00 -1.54 0.00 0.00 39.78 40.27 3m85 n ASN 181 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3m85 n PHE 182 N -2.42 0.00 -0.15 3.10 3.01 -1.00 -5.05 117.46 114.96 3m85 n PHE 182 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 3m85 n PHE 182 Cb 0.63 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.10 3m85 n PHE 182 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m85 n GLY 183 N 0.05 -2.82 0.00 1.37 0.00 -0.90 -4.92 105.19 97.97 3m85 n GLY 183 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3m85 n GLY 183 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3m85 n GLU 184 N -0.86 -0.48 -3.59 1.61 4.71 1.00 -5.01 120.64 118.02 3m85 n GLU 184 Ca 0.00 -0.45 -0.07 0.00 -0.01 0.00 0.00 57.16 56.64 3m85 n GLU 184 Cb 0.00 -0.87 -0.04 0.00 -1.01 0.00 0.00 31.44 29.52 3m85 n GLU 184 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3m85 s ALA 185 N -0.07 -2.01 -0.03 0.62 0.00 -1.25 -2.38 121.76 116.65 3m85 s ALA 185 Ca 0.00 1.63 -0.01 0.00 0.00 0.00 0.00 51.96 53.58 3m85 s ALA 185 Cb 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3m85 s ALA 185 CO 0.00 -0.38 0.05 0.34 0.00 0.00 0.00 175.76 175.77 3m85 s ASP 186 N -1.42 0.78 -0.33 0.00 3.68 -0.80 -2.50 116.67 116.09 3m85 s ASP 186 Ca 0.04 0.07 -0.01 0.00 2.13 0.00 0.00 52.55 54.78 3m85 s ASP 186 Cb -0.01 -0.11 0.13 0.00 -1.45 0.00 0.00 42.92 41.48 3m85 s ASP 186 CO -0.03 -0.21 0.24 -0.32 0.13 0.00 0.00 175.17 174.97 3m85 s MET 187 N 1.80 0.42 0.15 4.34 1.75 -0.59 -1.22 119.30 125.95 3m85 s MET 187 Ca 0.00 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.36 3m85 s MET 187 Cb -0.12 -1.02 -0.07 0.00 2.84 0.00 0.00 34.83 36.46 3m85 s MET 187 CO -0.03 -1.12 0.99 -2.14 -0.65 0.00 0.00 175.02 172.07 3m85 s PRO 188 N 1.68 4.70 0.36 4.11 0.02 -1.16 -1.50 135.00 143.20 3m85 s PRO 188 Ca 0.14 1.52 0.09 0.00 0.02 0.00 0.00 61.00 62.76 3m85 s PRO 188 Cb -0.18 -3.34 -0.06 0.00 0.02 0.00 0.00 34.50 30.94 3m85 s PRO 188 CO -0.17 0.23 -0.01 -0.06 -0.33 0.00 0.00 177.00 176.66 3m85 s PHE 189 N -0.24 2.50 -0.16 6.54 0.40 0.35 -1.94 117.98 125.43 3m85 s PHE 189 Ca 0.47 -0.50 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 3m85 s PHE 189 Cb -0.25 -1.53 0.04 0.00 0.51 0.00 0.00 43.02 41.79 3m85 s PHE 189 CO 0.31 0.49 0.41 0.00 0.70 0.00 0.00 175.22 177.13 3m85 s ALA 190 N -2.58 -1.02 0.11 5.36 0.00 0.37 -2.67 121.76 121.34 3m85 s ALA 190 Ca 0.35 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.60 3m85 s ALA 190 Cb 0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 3m85 s ALA 190 CO 0.18 -0.20 -0.25 -0.06 0.00 0.00 0.00 175.76 175.44 3m85 s PHE 191 N 0.35 2.12 -0.22 0.00 0.40 0.66 0.48 117.98 121.77 3m85 s PHE 191 Ca -0.01 -0.39 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 3m85 s PHE 191 Cb -0.04 -1.16 0.00 0.00 0.51 0.00 0.00 43.02 42.33 3m85 s PHE 191 CO -0.01 0.27 1.16 -1.17 0.70 0.00 0.00 175.22 176.17 3m85 s LEU 192 N -1.92 4.09 -0.42 -0.37 2.96 -0.83 -2.12 118.68 120.07 3m85 s LEU 192 Ca 0.11 1.46 -0.12 0.00 -0.22 0.00 0.00 54.13 55.35 3m85 s LEU 192 Cb -0.10 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.11 3m85 s LEU 192 CO 0.05 -0.77 0.29 -0.63 -1.32 0.00 0.00 176.35 173.97 3m85 s ILE 193 N 3.48 4.73 -0.13 6.68 1.01 -0.18 -1.71 121.20 135.08 3m85 s ILE 193 Ca 0.50 -1.08 0.02 0.00 0.00 0.00 0.00 60.65 60.09 3m85 s ILE 193 Cb -0.18 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3m85 s ILE 193 CO 0.12 -0.44 -0.20 -0.60 0.00 0.00 0.00 174.94 173.82 3m85 s ARG 194 N 1.55 3.11 -0.72 2.79 3.52 -0.99 -2.54 118.95 125.68 3m85 s ARG 194 Ca 0.03 -0.82 -0.03 0.00 -0.13 0.00 0.00 55.73 54.78 3m85 s ARG 194 Cb -0.22 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.73 3m85 s ARG 194 CO 0.06 0.09 0.62 -1.71 -0.81 0.00 0.00 175.30 173.54 3m85 n ASN 195 N 3.80 -3.39 -0.73 -2.12 5.15 -1.26 -2.65 115.26 114.05 3m85 n ASN 195 Ca -0.19 -0.32 -0.09 0.00 -0.60 0.00 0.00 54.58 53.38 3m85 n ASN 195 Cb 0.52 -3.05 -0.04 0.00 -0.53 0.00 0.00 39.78 36.68 3m85 n ASN 195 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3m85 n GLY 196 N -1.23 0.87 2.92 8.20 0.00 -1.26 -4.94 105.19 109.75 3m85 n GLY 196 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 3m85 n GLY 196 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m85 s LYS 197 N -2.71 0.07 0.08 1.61 -2.85 -1.09 -5.08 119.74 109.79 3m85 s LYS 197 Ca 0.00 0.17 -0.35 0.00 -1.00 0.00 0.00 55.97 54.79 3m85 s LYS 197 Cb 0.00 -0.04 -0.18 0.00 -2.06 0.00 0.00 37.83 35.54 3m85 s LYS 197 CO 0.00 -0.06 0.95 -0.89 0.10 0.00 0.00 175.35 175.44 3m85 n ILE 198 N 3.43 0.68 0.00 3.79 2.08 -1.26 -2.34 119.36 125.74 3m85 n ILE 198 Ca -0.17 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 62.97 3m85 n ILE 198 Cb 0.57 -0.16 0.00 0.00 -0.75 0.00 0.00 39.64 39.29 3m85 n ILE 198 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3m85 n GLU 199 N 1.45 0.55 -3.68 0.38 0.00 -0.69 -4.88 120.64 113.76 3m85 n GLU 199 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.25 3m85 n GLU 199 Cb 0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 31.44 30.99 3m85 n GLU 199 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3m85 s SER 200 N -1.32 -0.29 -0.16 4.31 0.01 -1.24 -5.00 113.70 110.02 3m85 s SER 200 Ca 0.00 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.79 3m85 s SER 200 Cb 0.00 0.56 -0.04 0.00 0.21 0.00 0.00 66.02 66.74 3m85 s SER 200 CO 0.00 -1.00 0.13 0.27 0.41 0.00 0.00 173.24 173.05 3m85 s ILE 201 N -3.84 5.40 -0.23 1.44 -5.25 -1.26 -1.97 121.20 115.49 3m85 s ILE 201 Ca 0.07 0.18 -0.04 0.00 -0.99 0.00 0.00 60.65 59.86 3m85 s ILE 201 Cb -0.00 -3.40 -0.13 0.00 2.95 0.00 0.00 42.46 41.88 3m85 s ILE 201 CO -0.06 0.54 -0.24 0.00 -1.79 0.00 0.00 174.94 173.38 3m85 n ALA 202 N 2.71 1.50 -3.12 2.27 0.00 0.18 -4.83 120.51 119.22 3m85 n ALA 202 Ca -0.18 -0.94 -0.24 0.00 0.00 0.00 0.00 53.44 52.07 3m85 n ALA 202 Cb 0.54 0.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 3m85 n ALA 202 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3m85 s LEU 203 N -6.71 1.80 -0.21 0.00 0.20 -0.76 -4.52 118.68 108.48 3m85 s LEU 203 Ca -0.31 -0.30 -0.04 0.00 0.69 0.00 0.00 54.13 54.17 3m85 s LEU 203 Cb 0.10 -0.83 0.10 0.00 -0.43 0.00 0.00 46.19 45.12 3m85 s LEU 203 CO 0.47 0.09 0.24 -0.22 -0.29 0.00 0.00 176.35 176.64 3m85 s LEU 204 N 0.28 -0.17 0.36 -0.68 0.20 -1.26 -0.48 118.68 116.93 3m85 s LEU 204 Ca -0.07 -0.15 0.06 0.00 0.69 0.00 0.00 54.13 54.66 3m85 s LEU 204 Cb -0.12 0.48 -0.07 0.00 -0.43 0.00 0.00 46.19 46.04 3m85 s LEU 204 CO 0.02 -0.32 0.01 -1.10 -0.29 0.00 0.00 176.35 174.67 3m85 s GLN 205 N 2.35 1.79 -0.00 1.98 -0.21 -0.82 -5.04 119.66 119.72 3m85 s GLN 205 Ca 0.07 -1.99 -0.28 0.00 0.02 0.00 0.00 55.36 53.18 3m85 s GLN 205 Cb -0.16 -1.32 0.09 0.00 1.00 0.00 0.00 33.01 32.62 3m85 s GLN 205 CO -0.12 -0.07 0.78 1.41 -2.12 0.00 0.00 175.29 175.16 3m85 s MET 206 N -3.77 0.97 -0.28 2.91 1.75 -1.26 -2.98 119.30 116.64 3m85 s MET 206 Ca 0.35 -0.12 -0.19 0.00 -1.25 0.00 0.00 55.69 54.47 3m85 s MET 206 Cb 0.08 0.45 0.12 0.00 2.84 0.00 0.00 34.83 38.32 3m85 s MET 206 CO 0.16 -0.37 0.92 0.16 -0.65 0.00 0.00 175.02 175.24 3m85 s ASP 207 N -1.96 -0.59 0.00 1.11 1.47 -0.36 -4.98 116.67 111.36 3m85 s ASP 207 Ca -0.02 1.01 0.00 0.00 1.18 0.00 0.00 52.55 54.73 3m85 s ASP 207 Cb -0.01 1.16 0.00 0.00 -0.34 0.00 0.00 42.92 43.74 3m85 s ASP 207 CO -0.03 -0.17 0.00 0.61 0.68 0.00 0.00 175.17 176.26 3m85 n GLY 208 N 3.29 2.06 3.67 2.12 0.00 -1.26 -1.90 105.19 113.16 3m85 n GLY 208 Ca -0.17 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3m85 n GLY 208 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3m85 s ARG 209 N -1.65 4.29 -0.05 1.61 3.52 -1.00 -4.94 118.95 120.74 3m85 s ARG 209 Ca 0.00 1.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.74 3m85 s ARG 209 Cb 0.00 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.80 3m85 s ARG 209 CO 0.00 -0.45 0.12 -1.64 -0.81 0.00 0.00 175.30 172.53 3m85 s MET 210 N 2.55 0.15 0.41 5.12 -1.94 -1.26 -4.66 119.30 119.66 3m85 s MET 210 Ca 0.42 0.17 -0.13 0.00 -1.71 0.00 0.00 55.69 54.43 3m85 s MET 210 Cb -0.16 0.07 -0.08 0.00 2.01 0.00 0.00 34.83 36.67 3m85 s MET 210 CO 0.11 -0.02 0.82 0.95 -0.01 0.00 0.00 175.02 176.87 3m85 s THR 211 N 0.05 4.68 0.24 2.05 -4.23 -1.26 -4.89 115.64 112.29 3m85 s THR 211 Ca -0.00 0.87 -0.11 0.00 -1.18 0.00 0.00 61.69 61.27 3m85 s THR 211 Cb -0.01 -3.69 0.35 0.00 1.34 0.00 0.00 72.50 70.48 3m85 s THR 211 CO 0.00 -0.46 1.59 -0.09 -0.54 0.00 0.00 174.62 175.12 3m85 h ARG 212 N 1.46 0.00 -0.72 3.99 1.12 -2.01 0.41 114.38 118.63 3m85 h ARG 212 Ca -0.47 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.39 3m85 h ARG 212 Cb 1.18 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.11 3m85 h ARG 212 CO 0.63 0.00 0.43 -0.44 -3.11 0.00 0.00 179.97 177.48 3m85 h ASP 213 N 0.00 0.86 0.14 -3.80 3.45 -2.01 -1.76 116.42 113.30 3m85 h ASP 213 Ca 0.39 -0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.72 3m85 h ASP 213 Cb 0.60 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.14 3m85 h ASP 213 CO -0.84 0.66 -0.28 -0.33 -1.57 0.00 0.00 179.24 176.89 3m85 h GLU 214 N 0.99 0.23 -0.04 3.56 5.08 -0.63 -2.77 114.58 121.00 3m85 h GLU 214 Ca 0.26 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3m85 h GLU 214 Cb -0.03 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3m85 h GLU 214 CO -0.05 0.50 0.02 0.28 -1.00 0.00 0.00 179.01 178.76 3m85 h VAL 215 N 0.21 1.15 -0.22 3.13 2.07 -0.16 -0.35 116.25 122.08 3m85 h VAL 215 Ca 0.03 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3m85 h VAL 215 Cb 0.61 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3m85 h VAL 215 CO 0.04 0.12 -0.16 0.11 0.02 0.00 0.00 177.57 177.70 3m85 h LYS 216 N -0.11 0.37 -0.21 1.57 1.57 -1.56 -1.47 116.57 116.73 3m85 h LYS 216 Ca 0.01 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3m85 h LYS 216 Cb 0.18 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3m85 h LYS 216 CO -0.00 0.53 0.01 1.96 -0.57 0.00 0.00 179.45 181.38 3m85 h GLN 217 N 0.34 0.37 -0.86 3.15 4.20 -1.27 -2.55 115.11 118.49 3m85 h GLN 217 Ca 0.06 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3m85 h GLN 217 Cb 0.49 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.18 3m85 h GLN 217 CO 0.03 0.54 0.55 0.00 -0.67 0.00 0.00 178.83 179.28 3m85 h ALA 218 N 0.81 1.15 -0.79 3.87 0.00 -0.42 0.46 119.26 124.35 3m85 h ALA 218 Ca 0.06 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3m85 h ALA 218 Cb 0.37 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3m85 h ALA 218 CO 0.01 0.35 0.42 0.82 0.00 0.00 0.00 179.25 180.85 3m85 h ILE 219 N 1.04 0.85 0.48 0.00 2.04 -1.06 0.60 117.51 121.45 3m85 h ILE 219 Ca 0.36 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3m85 h ILE 219 Cb 0.07 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 3m85 h ILE 219 CO -0.14 0.13 -0.23 -0.33 0.00 0.00 0.00 178.15 177.58 3m85 h GLU 220 N 0.69 -0.62 -0.94 2.37 4.39 -0.66 -2.16 114.58 117.64 3m85 h GLU 220 Ca 0.40 0.04 0.23 0.00 0.34 0.00 0.00 59.36 60.37 3m85 h GLU 220 Cb 0.43 0.14 -0.12 0.00 -0.10 0.00 0.00 28.75 29.10 3m85 h GLU 220 CO -0.28 -0.37 0.49 1.25 -1.16 0.00 0.00 179.01 178.94 3m85 h LEU 221 N -0.76 0.49 0.56 1.33 6.46 0.48 -2.16 115.31 121.71 3m85 h LEU 221 Ca -0.07 0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3m85 h LEU 221 Cb 0.55 0.09 0.01 0.00 -0.73 0.00 0.00 40.66 40.57 3m85 h LEU 221 CO 0.11 0.05 -0.27 0.00 -0.62 0.00 0.00 178.44 177.71 3m85 h ALA 222 N 1.72 -0.76 -0.98 1.25 0.00 0.38 -2.98 119.26 117.89 3m85 h ALA 222 Ca 0.60 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 55.50 3m85 h ALA 222 Cb 1.14 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 3m85 h ALA 222 CO -0.50 -0.83 0.58 0.87 0.00 0.00 0.00 179.25 179.37 3m85 h LYS 223 N -0.95 0.70 -0.85 0.00 1.57 -0.76 0.41 116.57 116.69 3m85 h LYS 223 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3m85 h LYS 223 Cb 0.64 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3m85 h LYS 223 CO 0.13 0.46 0.49 -0.22 -0.57 0.00 0.00 179.45 179.74 3m85 h LYS 224 N 0.72 1.17 -0.21 3.15 3.64 -1.40 0.96 116.57 124.61 3m85 h LYS 224 Ca 0.57 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.74 3m85 h LYS 224 Cb 0.91 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3m85 h LYS 224 CO -0.39 0.84 -0.22 0.78 -2.27 0.00 0.00 179.45 178.19 3m85 h GLY 225 N 1.20 0.57 0.37 5.01 0.00 -0.29 -2.79 103.07 107.14 3m85 h GLY 225 Ca 0.30 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 47.11 3m85 h GLY 225 CO -0.05 0.53 -0.12 0.00 0.00 0.00 0.00 176.54 176.90 3m85 h ALA 226 N 0.65 0.10 -0.59 3.60 0.00 0.96 0.19 119.26 124.17 3m85 h ALA 226 Ca 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3m85 h ALA 226 Cb 0.77 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3m85 h ALA 226 CO 0.05 -0.52 0.36 -0.07 0.00 0.00 0.00 179.25 179.07 3m85 h LEU 227 N -0.08 0.69 -0.18 0.00 3.38 -0.89 0.19 115.31 118.42 3m85 h LEU 227 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3m85 h LEU 227 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m85 h LEU 227 CO -0.31 0.53 0.00 1.56 0.09 0.00 0.00 178.44 180.31 3m85 h GLN 228 N 0.81 0.32 0.46 1.13 4.20 -0.84 -2.55 115.11 118.63 3m85 h GLN 228 Ca 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3m85 h GLN 228 Cb -0.05 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3m85 h GLN 228 CO -0.04 0.52 -0.28 0.82 -0.67 0.00 0.00 178.83 179.18 3m85 h ILE 229 N 0.08 0.42 -0.95 2.54 2.04 -0.39 -2.78 117.51 118.47 3m85 h ILE 229 Ca 0.05 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.17 3m85 h ILE 229 Cb 0.38 0.42 -0.17 0.00 -0.74 0.00 0.00 36.82 36.70 3m85 h ILE 229 CO 0.01 0.00 0.03 0.22 0.00 0.00 0.00 178.15 178.41 3m85 h TYR 230 N -0.71 -0.03 -0.65 1.37 3.20 -0.62 0.61 116.97 120.13 3m85 h TYR 230 Ca -0.05 0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.97 3m85 h TYR 230 Cb 0.58 0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 3m85 h TYR 230 CO -0.09 -0.40 0.31 0.93 -1.64 0.00 0.00 178.16 177.27 3m85 h GLU 231 N 0.03 0.53 -0.16 1.82 4.39 -1.16 0.24 114.58 120.26 3m85 h GLU 231 Ca 0.57 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.23 3m85 h GLU 231 Cb 1.16 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 3m85 h GLU 231 CO -0.88 0.35 0.04 0.52 -1.16 0.00 0.00 179.01 177.88 3m85 h MET 232 N 0.54 0.23 -0.31 2.33 2.86 0.22 -0.98 114.93 119.82 3m85 h MET 232 Ca 0.32 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 3m85 h MET 232 Cb 0.33 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3m85 h MET 232 CO -0.26 0.22 -0.10 1.96 1.06 0.00 0.00 176.91 179.79 3m85 h GLN 233 N 0.23 0.61 -0.66 1.72 4.20 0.03 0.14 115.11 121.38 3m85 h GLN 233 Ca 0.06 -0.24 0.06 0.00 0.06 0.00 0.00 58.65 58.58 3m85 h GLN 233 Cb 0.09 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 27.79 3m85 h GLN 233 CO -0.00 0.81 0.36 -0.09 -0.67 0.00 0.00 178.83 179.24 3m85 h ARG 234 N 0.37 0.64 -0.08 1.46 2.43 -0.38 -1.11 114.38 117.72 3m85 h ARG 234 Ca 0.07 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3m85 h ARG 234 Cb 0.60 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3m85 h ARG 234 CO 0.04 0.43 -0.48 1.49 -1.51 0.00 0.00 179.97 179.93 3m85 h GLU 235 N 0.66 0.21 -0.94 0.20 4.57 -0.82 0.71 114.58 119.17 3m85 h GLU 235 Ca 0.30 -0.11 0.02 0.00 -1.18 0.00 0.00 59.36 58.38 3m85 h GLU 235 Cb 0.20 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 3m85 h GLU 235 CO -0.19 0.65 0.62 0.00 -1.18 0.00 0.00 179.01 178.91 3m85 h ALA 236 N 1.34 1.21 0.03 2.92 0.00 0.40 -1.92 119.26 123.24 3m85 h ALA 236 Ca 0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 3m85 h ALA 236 Cb 0.91 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3m85 h ALA 236 CO 0.07 0.56 -1.05 0.82 0.00 0.00 0.00 179.25 179.65 3m85 h ILE 237 N 1.25 1.36 -0.03 0.00 1.08 -0.81 -2.98 117.51 117.39 3m85 h ILE 237 Ca 0.35 -2.47 0.03 0.00 -0.39 0.00 0.00 64.86 62.39 3m85 h ILE 237 Cb -0.11 2.51 -0.05 0.00 -3.07 0.00 0.00 36.82 36.11 3m85 h ILE 237 CO -0.09 0.74 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.78 3m85 h LEU 238 N 0.26 -0.79 -0.76 1.44 3.38 -0.57 0.20 115.31 118.48 3m85 h LEU 238 Ca -0.11 0.11 0.17 0.00 0.09 0.00 0.00 57.88 58.14 3m85 h LEU 238 Cb 1.70 0.33 -0.13 0.00 0.09 0.00 0.00 40.66 42.65 3m85 h LEU 238 CO 0.19 -0.33 0.03 0.03 0.09 0.00 0.00 178.44 178.45 3m85 h ARG 239 N -0.39 0.11 -0.20 1.13 3.08 -1.38 0.24 114.38 116.97 3m85 h ARG 239 Ca 0.07 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3m85 h ARG 239 Cb 0.49 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3m85 h ARG 239 CO -0.25 0.07 -0.01 0.00 -1.07 0.00 0.00 179.97 178.72 3m85 h ARG 240 N 0.12 0.05 -0.58 0.04 2.47 -1.02 -1.13 114.38 114.32 3m85 h ARG 240 Ca 0.42 -0.00 0.12 0.00 -1.26 0.00 0.00 59.98 59.25 3m85 h ARG 240 Cb 0.74 -0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 28.96 3m85 h ARG 240 CO -0.65 0.03 0.03 -0.92 0.56 0.00 0.00 179.97 179.02 3m85 h TYR 241 N 0.05 0.02 -0.30 3.04 3.20 0.24 0.11 116.97 123.33 3m85 h TYR 241 Ca 0.10 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3m85 h TYR 241 Cb 0.12 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3m85 h TYR 241 CO -0.18 -0.12 0.19 0.82 -1.64 0.00 0.00 178.16 177.22 3m85 h ILE 242 N 0.15 1.06 0.45 1.81 5.03 -0.59 -2.20 117.51 123.21 3m85 h ILE 242 Ca 0.30 -0.13 -0.01 0.00 -0.12 0.00 0.00 64.86 64.90 3m85 h ILE 242 Cb 0.48 0.64 -0.01 0.00 -3.03 0.00 0.00 36.82 34.90 3m85 h ILE 242 CO -0.47 0.07 -0.32 -0.33 -0.68 0.00 0.00 178.15 176.42 3m85 h GLU 243 N 0.39 -0.72 0.00 2.37 5.08 0.40 0.52 114.58 122.62 3m85 h GLU 243 Ca 0.11 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3m85 h GLU 243 Cb -0.03 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m85 h GLU 243 CO -0.03 -0.48 -0.14 -0.39 -1.00 0.00 0.00 179.01 176.96 3m85 h VAL 244 N -0.75 1.02 0.18 3.13 -1.51 -1.04 -0.77 116.25 116.51 3m85 h VAL 244 Ca -0.05 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 3m85 h VAL 244 Cb 0.64 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 3m85 h VAL 244 CO 0.02 0.14 -0.09 1.23 -1.23 0.00 0.00 177.57 177.64 3m85 h GLY 245 N 0.47 -0.25 1.45 5.19 0.00 -0.90 -3.01 103.07 106.01 3m85 h GLY 245 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3m85 h GLY 245 CO 0.02 -0.09 0.15 1.18 0.00 0.00 0.00 176.54 177.80 3m85 n GLU 246 N -5.07 0.02 -0.10 4.80 1.02 0.18 -1.48 120.64 120.01 3m85 n GLU 246 Ca -0.09 0.41 0.11 0.00 -0.02 0.00 0.00 57.16 57.58 3m85 n GLU 246 Cb 0.22 -1.72 0.29 0.00 -0.02 0.00 0.00 31.44 30.21 3m85 n GLU 246 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3m85 n GLU 247 N -1.52 2.09 -0.12 3.49 -0.58 -0.84 -3.12 120.64 120.04 3m85 n GLU 247 Ca -0.00 -1.63 -0.22 0.00 -0.42 0.00 0.00 57.16 54.88 3m85 n GLU 247 Cb 0.16 -1.45 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 3m85 n GLU 247 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3m85 n MET 248 N 0.87 0.52 -0.78 3.49 2.81 -0.55 -2.86 117.12 120.63 3m85 n MET 248 Ca 0.17 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3m85 n MET 248 Cb 0.47 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3m85 n MET 248 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3m85 n ASP 249 N -3.78 -2.27 0.00 7.83 9.92 -1.26 -5.19 116.55 121.80 3m85 n ASP 249 Ca -0.45 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 3m85 n ASP 249 Cb 0.86 -2.31 0.00 0.00 -0.64 0.00 0.00 41.12 39.03 3m85 n ASP 249 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71