#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ad8 s VAL 17 N 0.00 5.10 -1.30 1.39 1.01 0.09 -4.13 120.40 122.56 1ad8 s VAL 17 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ad8 s VAL 17 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 1ad8 s VAL 17 CO 0.00 0.44 0.31 -0.62 0.00 0.00 0.00 175.10 175.23 1ad8 n GLU 18 N 3.62 -2.95 0.00 2.72 -0.58 -1.26 -1.83 120.64 120.35 1ad8 n GLU 18 Ca -0.16 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1ad8 n GLU 18 Cb 0.52 -5.20 0.00 0.00 -0.57 0.00 0.00 31.44 26.19 1ad8 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ad8 n GLY 19 N -1.24 1.97 3.35 0.62 0.00 -1.26 -4.67 105.19 103.96 1ad8 n GLY 19 Ca -0.13 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.85 1ad8 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ad8 s SER 20 N -0.97 -0.25 0.36 1.61 1.04 -0.39 -4.89 113.70 110.21 1ad8 s SER 20 Ca 0.00 -0.34 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 1ad8 s SER 20 Cb 0.00 0.49 -0.11 0.00 0.10 0.00 0.00 66.02 66.50 1ad8 s SER 20 CO 0.00 -0.89 1.49 0.47 0.98 0.00 0.00 173.24 175.29 1ad8 n ASP 21 N -0.25 3.68 -4.83 7.02 9.92 -1.26 -0.71 116.55 130.12 1ad8 n ASP 21 Ca -0.15 1.21 -0.33 0.00 -0.53 0.00 0.00 54.79 54.99 1ad8 n ASP 21 Cb 0.64 -1.60 -0.05 0.00 -0.64 0.00 0.00 41.12 39.47 1ad8 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ad8 s ALA 22 N -0.89 3.05 0.54 2.24 0.00 0.47 -4.78 121.76 122.39 1ad8 s ALA 22 Ca 0.56 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.66 1ad8 s ALA 22 Cb -0.49 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 1ad8 s ALA 22 CO 0.61 -0.10 0.97 -1.21 0.00 0.00 0.00 175.76 176.02 1ad8 s GLU 23 N -3.70 3.79 0.29 0.00 2.02 -1.26 -4.92 118.70 114.92 1ad8 s GLU 23 Ca 0.60 0.80 -0.29 0.00 0.02 0.00 0.00 54.97 56.10 1ad8 s GLU 23 Cb -0.10 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.88 1ad8 s GLU 23 CO 0.24 -0.35 1.43 0.42 0.02 0.00 0.00 175.26 177.02 1ad8 s ILE 24 N -2.81 2.51 0.00 -1.63 -1.09 -1.26 -2.53 121.20 114.40 1ad8 s ILE 24 Ca 0.56 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 1ad8 s ILE 24 Cb -0.10 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1ad8 s ILE 24 CO 0.40 0.09 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1ad8 n GLY 25 N 1.59 0.37 0.19 6.18 0.00 -1.26 -4.90 105.19 107.36 1ad8 n GLY 25 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1ad8 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ad8 h MET 26 N 0.96 0.18 -2.17 1.61 -1.53 -1.86 -3.34 114.93 108.78 1ad8 h MET 26 Ca 0.00 -0.08 -0.58 0.00 -3.44 0.00 0.00 59.70 55.61 1ad8 h MET 26 Cb 0.27 -0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.92 1ad8 h MET 26 CO 0.00 0.55 -0.96 0.43 0.14 0.00 0.00 176.91 177.07 1ad8 n SER 27 N -4.05 0.87 0.00 1.39 7.64 -1.26 -4.97 113.62 113.24 1ad8 n SER 27 Ca -0.01 -2.80 0.05 0.00 1.01 0.00 0.00 58.87 57.11 1ad8 n SER 27 Cb 0.45 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 63.27 1ad8 n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ad8 n PRO 28 N 1.61 0.17 0.00 1.43 -0.04 -1.26 -1.58 135.00 135.33 1ad8 n PRO 28 Ca 0.24 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 1ad8 n PRO 28 Cb 0.49 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 1ad8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ad8 n TRP 29 N -1.22 0.00 -2.02 0.54 2.14 -1.02 -1.23 117.44 114.62 1ad8 n TRP 29 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 1ad8 n TRP 29 Cb 0.07 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.49 1ad8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ad8 s GLN 30 N -2.73 4.25 0.07 -2.67 2.00 -0.62 -0.20 119.66 119.77 1ad8 s GLN 30 Ca 0.15 2.25 0.09 0.00 -2.00 0.00 0.00 55.36 55.84 1ad8 s GLN 30 Cb 0.17 -3.27 -0.03 0.00 0.80 0.00 0.00 33.01 30.68 1ad8 s GLN 30 CO 0.69 -0.57 -0.24 0.08 -0.50 0.00 0.00 175.29 174.75 1ad8 s VAL 31 N 1.42 1.97 -0.14 1.34 1.01 -0.40 -3.99 120.40 121.62 1ad8 s VAL 31 Ca 0.69 -1.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1ad8 s VAL 31 Cb -0.40 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1ad8 s VAL 31 CO 0.31 0.19 -0.08 -0.32 0.00 0.00 0.00 175.10 175.19 1ad8 s MET 32 N -1.53 3.53 -0.18 2.72 1.75 -0.49 -1.66 119.30 123.44 1ad8 s MET 32 Ca 0.10 -0.59 -0.20 0.00 -1.25 0.00 0.00 55.69 53.75 1ad8 s MET 32 Cb -0.10 -2.78 -0.03 0.00 2.84 0.00 0.00 34.83 34.76 1ad8 s MET 32 CO 0.03 0.24 0.59 -0.51 -0.65 0.00 0.00 175.02 174.72 1ad8 s LEU 33 N 0.33 4.17 -0.08 4.11 1.43 0.27 -1.20 118.68 127.71 1ad8 s LEU 33 Ca -0.07 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 1ad8 s LEU 33 Cb -0.15 -2.84 0.01 0.00 0.03 0.00 0.00 46.19 43.24 1ad8 s LEU 33 CO 0.04 -0.20 -0.17 0.12 0.23 0.00 0.00 176.35 176.36 1ad8 s PHE 34 N 1.60 1.92 -0.02 0.29 5.36 -0.17 -0.80 117.98 126.16 1ad8 s PHE 34 Ca 0.28 -0.74 -0.28 0.00 -0.96 0.00 0.00 56.93 55.23 1ad8 s PHE 34 Cb -0.16 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.16 1ad8 s PHE 34 CO 0.11 -0.33 0.90 0.50 -1.46 0.00 0.00 175.22 174.94 1ad8 s ARG 35 N 0.50 4.52 0.04 10.12 3.52 0.87 -1.13 118.95 137.39 1ad8 s ARG 35 Ca -0.16 1.26 -0.28 0.00 -0.13 0.00 0.00 55.73 56.43 1ad8 s ARG 35 Cb -0.17 -3.46 -0.17 0.00 -1.56 0.00 0.00 34.95 29.59 1ad8 s ARG 35 CO 0.06 -0.03 1.41 0.87 -0.81 0.00 0.00 175.30 176.81 1ad8 h LYS 36 N 6.80 -0.54 -3.04 5.12 1.57 -1.83 -2.67 116.57 121.99 1ad8 h LYS 36 Ca -0.41 0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.10 1ad8 h LYS 36 Cb 1.21 0.12 -0.36 0.00 0.08 0.00 0.00 32.23 33.28 1ad8 h LYS 36 CO 0.75 -0.27 -0.65 -1.12 -0.57 0.00 0.00 179.45 177.60 1ad8 s SER 36 N -4.83 0.92 0.32 0.86 0.01 -1.26 -2.19 113.70 107.53 1ad8 s SER 36 Ca -0.15 0.22 -0.27 0.00 1.31 0.00 0.00 55.95 57.05 1ad8 s SER 36 Cb 0.03 0.24 -0.09 0.00 0.21 0.00 0.00 66.02 66.41 1ad8 s SER 36 CO 0.58 -0.26 1.06 -2.16 0.41 0.00 0.00 173.24 172.87 1ad8 s PRO 37 N 2.28 4.47 -0.23 12.44 0.04 -1.26 -5.05 135.00 147.69 1ad8 s PRO 37 Ca 0.04 1.65 -0.32 0.00 0.04 0.00 0.00 61.00 62.40 1ad8 s PRO 37 Cb -0.13 -2.93 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1ad8 s PRO 37 CO -0.06 0.10 2.13 1.04 0.04 0.00 0.00 177.00 180.25 1ad8 n GLN 38 N 0.70 1.69 -3.48 4.56 1.13 -0.93 -4.60 117.38 116.44 1ad8 n GLN 38 Ca 0.01 0.51 -0.15 0.00 -1.94 0.00 0.00 57.00 55.43 1ad8 n GLN 38 Cb 0.47 -2.81 -0.04 0.00 0.11 0.00 0.00 30.24 27.97 1ad8 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1ad8 s GLU 39 N 5.77 1.12 -0.00 -1.09 -1.05 -1.01 -4.95 118.70 117.49 1ad8 s GLU 39 Ca 1.02 -0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 55.48 1ad8 s GLU 39 Cb -0.62 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 33.56 1ad8 s GLU 39 CO 0.44 -0.42 1.13 -1.17 0.95 0.00 0.00 175.26 176.19 1ad8 s LEU 40 N -1.86 4.33 -0.27 1.83 0.20 -1.26 -0.09 118.68 121.55 1ad8 s LEU 40 Ca -0.05 1.82 -0.13 0.00 0.69 0.00 0.00 54.13 56.46 1ad8 s LEU 40 Cb -0.00 -3.57 -0.12 0.00 -0.43 0.00 0.00 46.19 42.07 1ad8 s LEU 40 CO -0.00 -0.45 -0.35 0.18 -0.29 0.00 0.00 176.35 175.44 1ad8 n LEU 41 N 4.40 2.00 -3.84 -0.68 4.32 0.02 -4.91 117.00 118.32 1ad8 n LEU 41 Ca 0.09 0.30 -0.05 0.00 -0.02 0.00 0.00 56.01 56.33 1ad8 n LEU 41 Cb 0.48 -0.81 0.01 0.00 -1.62 0.00 0.00 43.42 41.47 1ad8 n LEU 41 CO 0.54 0.60 0.72 0.00 -1.22 0.00 0.00 177.39 178.03 1ad8 s GLY 43 N -3.21 1.83 0.09 0.00 0.00 0.66 -0.56 107.32 106.13 1ad8 s GLY 43 Ca 0.18 -1.55 -0.26 0.00 0.00 0.00 0.00 44.72 43.09 1ad8 s GLY 43 CO 0.06 -1.21 1.14 0.00 0.00 0.00 0.00 173.10 173.09 1ad8 s ALA 44 N -2.76 -1.95 0.02 3.20 0.00 -0.66 -3.75 121.76 115.86 1ad8 s ALA 44 Ca 0.59 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1ad8 s ALA 44 Cb -0.09 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1ad8 s ALA 44 CO 0.39 -1.08 -0.03 -1.54 0.00 0.00 0.00 175.76 173.49 1ad8 s SER 45 N -3.35 0.26 -0.27 0.00 1.04 -0.20 -1.27 113.70 109.91 1ad8 s SER 45 Ca 0.21 -0.50 -0.19 0.00 0.48 0.00 0.00 55.95 55.95 1ad8 s SER 45 Cb -0.00 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 1ad8 s SER 45 CO 0.01 -0.30 0.54 -0.22 0.98 0.00 0.00 173.24 174.26 1ad8 s LEU 46 N -1.46 4.07 0.00 2.42 2.96 0.73 -0.87 118.68 126.53 1ad8 s LEU 46 Ca -0.16 0.52 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 1ad8 s LEU 46 Cb -0.10 -2.70 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1ad8 s LEU 46 CO -0.01 -0.33 0.72 2.30 -1.32 0.00 0.00 176.35 177.71 1ad8 n ILE 47 N 5.20 0.00 -3.77 6.68 -5.35 -0.60 -1.51 119.36 120.01 1ad8 n ILE 47 Ca -0.03 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 1ad8 n ILE 47 Cb 0.49 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 1ad8 n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ad8 s SER 48 N -1.04 -0.05 0.56 7.28 1.04 -1.20 -4.75 113.70 115.53 1ad8 s SER 48 Ca 0.10 -0.30 0.37 0.00 0.48 0.00 0.00 55.95 56.61 1ad8 s SER 48 Cb 0.08 0.27 1.92 0.00 0.10 0.00 0.00 66.02 68.40 1ad8 s SER 48 CO 0.18 -0.52 2.14 -2.24 0.98 0.00 0.00 173.24 173.77 1ad8 h ASP 49 N 2.00 0.00 0.00 7.02 2.03 -1.97 -3.21 116.42 122.29 1ad8 h ASP 49 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1ad8 h ASP 49 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1ad8 h ASP 49 CO 0.30 0.00 -0.02 -2.11 -1.03 0.00 0.00 179.24 176.38 1ad8 n ARG 50 N -2.90 0.83 -4.76 4.15 1.85 -1.26 -0.70 116.66 113.87 1ad8 n ARG 50 Ca -0.02 -0.82 -0.29 0.00 -1.00 0.00 0.00 57.85 55.73 1ad8 n ARG 50 Cb 0.12 -0.65 -0.17 0.00 -1.05 0.00 0.00 32.46 30.72 1ad8 n ARG 50 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1ad8 s TRP 51 N -0.31 2.05 -0.07 2.89 0.52 -1.21 -0.93 118.94 121.88 1ad8 s TRP 51 Ca 0.00 -0.87 0.04 0.00 0.02 0.00 0.00 56.10 55.29 1ad8 s TRP 51 Cb 0.00 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 1ad8 s TRP 51 CO 0.00 -0.41 -0.21 0.08 0.02 0.00 0.00 176.95 176.43 1ad8 s VAL 52 N 0.66 2.39 -0.12 4.03 1.01 -0.58 -1.56 120.40 126.23 1ad8 s VAL 52 Ca -0.13 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.87 1ad8 s VAL 52 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1ad8 s VAL 52 CO 0.04 0.57 0.02 -0.22 0.00 0.00 0.00 175.10 175.50 1ad8 s LEU 53 N -0.13 3.65 0.00 3.92 2.96 -0.05 -1.09 118.68 127.94 1ad8 s LEU 53 Ca -0.04 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1ad8 s LEU 53 Cb -0.14 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.71 1ad8 s LEU 53 CO 0.04 0.31 0.52 1.07 -1.32 0.00 0.00 176.35 176.97 1ad8 n THR 54 N 2.58 0.00 -3.00 3.68 5.66 -0.51 -1.03 114.28 121.66 1ad8 n THR 54 Ca -0.18 -1.20 -0.40 0.00 -3.05 0.00 0.00 64.05 59.22 1ad8 n THR 54 Cb 0.53 0.88 -0.05 0.00 -1.55 0.00 0.00 70.33 70.14 1ad8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ad8 s ALA 55 N -2.28 3.38 0.53 1.79 0.00 -1.26 -1.32 121.76 122.59 1ad8 s ALA 55 Ca 0.19 0.26 0.20 0.00 0.00 0.00 0.00 51.96 52.62 1ad8 s ALA 55 Cb -0.02 -2.98 1.37 0.00 0.00 0.00 0.00 23.12 21.50 1ad8 s ALA 55 CO 0.14 0.07 2.11 0.00 0.00 0.00 0.00 175.76 178.09 1ad8 h ALA 56 N 5.67 2.08 0.00 0.00 0.00 -1.68 -1.45 119.26 123.88 1ad8 h ALA 56 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ad8 h ALA 56 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ad8 h ALA 56 CO 0.71 -0.19 0.00 -2.39 0.00 0.00 0.00 179.25 177.38 1ad8 n HIS 57 N -4.39 0.13 0.15 0.00 1.44 -1.26 -1.39 115.22 109.90 1ad8 n HIS 57 Ca 0.01 0.05 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 1ad8 n HIS 57 Cb 0.24 -0.58 0.22 0.00 0.12 0.00 0.00 29.99 30.00 1ad8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ad8 n LEU 59 N -3.67 2.25 -4.02 0.00 4.77 -0.91 -4.87 117.00 110.55 1ad8 n LEU 59 Ca -0.01 0.18 -0.31 0.00 -0.03 0.00 0.00 56.01 55.84 1ad8 n LEU 59 Cb 0.59 -0.82 -0.16 0.00 -2.33 0.00 0.00 43.42 40.70 1ad8 n LEU 59 CO 0.40 0.68 -0.47 -0.22 -1.33 0.00 0.00 177.39 176.45 1ad8 s LEU 60 N -7.13 2.31 0.18 2.23 2.96 -0.49 -0.75 118.68 118.00 1ad8 s LEU 60 Ca -0.36 -0.86 -0.20 0.00 -0.22 0.00 0.00 54.13 52.49 1ad8 s LEU 60 Cb 0.13 -1.29 0.05 0.00 0.50 0.00 0.00 46.19 45.57 1ad8 s LEU 60 CO 0.51 -0.12 0.56 -0.47 -1.32 0.00 0.00 176.35 175.50 1ad8 s TYR 60 N 1.36 -0.32 0.00 5.38 5.04 0.41 -4.15 117.35 125.08 1ad8 s TYR 60 Ca -0.00 0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1ad8 s TYR 60 Cb -0.16 0.48 0.00 0.00 0.35 0.00 0.00 41.96 42.63 1ad8 s TYR 60 CO -0.09 -0.89 0.00 -2.30 -1.34 0.00 0.00 175.55 170.93 1ad8 n PRO 60 N -0.35 0.00 -0.38 4.97 -0.02 -1.26 -2.30 135.00 135.65 1ad8 n PRO 60 Ca -0.13 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.42 1ad8 n PRO 60 Cb 0.63 0.00 0.24 0.00 -0.02 0.00 0.00 33.50 34.35 1ad8 n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ad8 n TRP 60 N 0.00 0.88 -3.00 6.00 8.01 -1.26 -4.96 117.44 123.11 1ad8 n TRP 60 Ca 0.00 -0.69 -0.21 0.00 -1.31 0.00 0.00 57.50 55.29 1ad8 n TRP 60 Cb 0.00 -0.20 0.02 0.00 -2.01 0.00 0.00 31.31 29.11 1ad8 n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ad8 n ASP 60 N 0.16 -5.17 -4.63 -0.99 8.00 -1.15 -4.96 116.55 107.81 1ad8 n ASP 60 Ca 0.19 -0.24 -0.37 0.00 0.71 0.00 0.00 54.79 55.08 1ad8 n ASP 60 Cb 0.73 -4.23 -0.10 0.00 -0.02 0.00 0.00 41.12 37.50 1ad8 n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ad8 s LYS 60 N -5.66 4.02 -0.47 -1.24 2.20 -0.97 -5.00 119.74 112.61 1ad8 s LYS 60 Ca 0.27 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.66 1ad8 s LYS 60 Cb -0.13 -3.56 0.19 0.00 -1.51 0.00 0.00 37.83 32.81 1ad8 s LYS 60 CO 0.34 -0.01 0.70 1.21 -0.36 0.00 0.00 175.35 177.23 1ad8 s ASN 60 N 1.26 -1.46 0.16 1.43 2.47 -1.12 -0.44 114.94 117.23 1ad8 s ASN 60 Ca 0.07 -1.34 -0.24 0.00 0.42 0.00 0.00 52.86 51.77 1ad8 s ASN 60 Cb -0.14 1.89 -0.08 0.00 -1.45 0.00 0.00 41.25 41.47 1ad8 s ASN 60 CO 0.06 -0.10 0.75 -0.36 -3.72 0.00 0.00 177.10 173.74 1ad8 s PHE 60 N 1.26 3.88 0.35 0.43 0.08 0.07 -5.00 117.98 119.05 1ad8 s PHE 60 Ca 0.24 1.58 0.07 0.00 0.12 0.00 0.00 56.93 58.95 1ad8 s PHE 60 Cb -0.01 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.69 1ad8 s PHE 60 CO -0.06 0.51 0.34 -0.08 -0.10 0.00 0.00 175.22 175.83 1ad8 s THR 60 N -1.17 3.45 0.31 0.64 -1.32 -1.26 -4.88 115.64 111.41 1ad8 s THR 60 Ca 0.35 -1.31 0.07 0.00 -1.21 0.00 0.00 61.69 59.59 1ad8 s THR 60 Cb -0.22 -3.18 0.30 0.00 -1.51 0.00 0.00 72.50 67.89 1ad8 s THR 60 CO 0.25 -0.14 1.71 -0.33 -2.21 0.00 0.00 174.62 173.90 1ad8 h GLU 61 N 1.15 0.48 0.00 7.08 3.07 -1.95 -0.91 114.58 123.51 1ad8 h GLU 61 Ca -0.44 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1ad8 h GLU 61 Cb 1.26 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1ad8 h GLU 61 CO 0.57 0.32 0.00 0.09 -1.40 0.00 0.00 179.01 178.59 1ad8 n ASN 62 N -4.96 0.17 0.04 1.42 3.02 -1.26 -2.81 115.26 110.88 1ad8 n ASN 62 Ca 0.25 0.53 0.13 0.00 -0.03 0.00 0.00 54.58 55.45 1ad8 n ASN 62 Cb 0.70 -0.57 0.31 0.00 -0.61 0.00 0.00 39.78 39.61 1ad8 n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ad8 n ASP 63 N -1.68 0.53 -4.37 6.41 8.00 -0.35 -4.95 116.55 120.15 1ad8 n ASP 63 Ca 0.04 0.15 -0.19 0.00 0.71 0.00 0.00 54.79 55.50 1ad8 n ASP 63 Cb 0.24 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.16 1ad8 n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ad8 s LEU 64 N -3.70 2.50 0.07 0.64 1.43 -1.12 -2.65 118.68 115.85 1ad8 s LEU 64 Ca 0.10 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1ad8 s LEU 64 Cb 0.15 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1ad8 s LEU 64 CO 0.66 -0.27 -0.10 -0.76 0.23 0.00 0.00 176.35 176.11 1ad8 s LEU 65 N -3.36 2.32 -0.17 1.79 1.43 -0.28 -4.44 118.68 115.97 1ad8 s LEU 65 Ca 0.25 -0.67 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1ad8 s LEU 65 Cb 0.02 -0.32 -0.00 0.00 0.03 0.00 0.00 46.19 45.92 1ad8 s LEU 65 CO 0.09 -0.19 -0.14 -0.69 0.23 0.00 0.00 176.35 175.65 1ad8 s VAL 66 N -1.75 2.73 -0.33 -1.59 1.01 0.24 -0.99 120.40 119.72 1ad8 s VAL 66 Ca -0.02 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 1ad8 s VAL 66 Cb -0.07 -2.17 0.03 0.00 0.00 0.00 0.00 36.38 34.17 1ad8 s VAL 66 CO 0.01 0.50 0.10 -0.13 0.00 0.00 0.00 175.10 175.58 1ad8 s ARG 67 N 0.98 2.75 -0.06 2.72 0.52 -0.35 0.29 118.95 125.81 1ad8 s ARG 67 Ca -0.02 -1.09 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 1ad8 s ARG 67 Cb -0.15 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 1ad8 s ARG 67 CO -0.02 -0.61 0.02 0.42 0.02 0.00 0.00 175.30 175.13 1ad8 s ILE 68 N 1.43 4.36 0.00 1.52 1.01 0.96 -1.40 121.20 129.09 1ad8 s ILE 68 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1ad8 s ILE 68 Cb -0.19 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1ad8 s ILE 68 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1ad8 n GLY 69 N 1.83 0.70 3.88 6.18 0.00 -1.26 -0.11 105.19 116.42 1ad8 n GLY 69 Ca -0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1ad8 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ad8 s LYS 70 N -0.78 3.37 0.00 1.61 1.02 -1.26 -4.33 119.74 119.38 1ad8 s LYS 70 Ca 0.00 0.54 0.00 0.00 0.02 0.00 0.00 55.97 56.53 1ad8 s LYS 70 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1ad8 s LYS 70 CO 0.00 -0.63 0.00 1.58 -0.92 0.00 0.00 175.35 175.38 1ad8 n HIS 71 N -2.72 -0.18 -2.52 3.18 -0.00 -1.26 -4.95 115.22 106.77 1ad8 n HIS 71 Ca 0.05 0.01 -0.41 0.00 -0.00 0.00 0.00 57.72 57.37 1ad8 n HIS 71 Cb 0.55 0.50 -0.04 0.00 -0.00 0.00 0.00 29.99 31.01 1ad8 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ad8 s SER 72 N -4.83 7.25 0.08 0.26 0.15 -1.26 -0.89 113.70 114.46 1ad8 s SER 72 Ca 0.00 2.04 -0.16 0.00 0.70 0.00 0.00 55.95 58.53 1ad8 s SER 72 Cb 0.00 -2.60 -0.11 0.00 -1.71 0.00 0.00 66.02 61.60 1ad8 s SER 72 CO 0.00 -0.26 1.38 -0.09 1.20 0.00 0.00 173.24 175.47 1ad8 h ARG 73 N 5.52 0.64 0.00 5.44 2.43 -1.19 -3.39 114.38 123.83 1ad8 h ARG 73 Ca -0.44 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.37 1ad8 h ARG 73 Cb 1.21 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1ad8 h ARG 73 CO 0.74 0.98 -1.10 0.25 -1.51 0.00 0.00 179.97 179.33 1ad8 n THR 74 N -4.28 0.00 -3.45 0.20 -2.24 -1.26 -5.00 114.28 98.24 1ad8 n THR 74 Ca -0.05 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 61.12 1ad8 n THR 74 Cb 0.49 0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 1ad8 n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1ad8 s ARG 75 N -2.61 3.94 -0.64 -0.78 3.52 -1.26 -5.00 118.95 116.11 1ad8 s ARG 75 Ca 0.01 0.43 -0.28 0.00 -0.13 0.00 0.00 55.73 55.76 1ad8 s ARG 75 Cb 0.10 -3.11 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 1ad8 s ARG 75 CO 0.58 0.61 1.32 -0.47 -0.81 0.00 0.00 175.30 176.53 1ad8 s TYR 76 N -1.24 2.34 -1.21 5.12 5.04 -1.26 -4.85 117.35 121.29 1ad8 s TYR 76 Ca 0.30 0.26 -0.20 0.00 -2.44 0.00 0.00 57.07 54.99 1ad8 s TYR 76 Cb -0.16 -4.51 0.02 0.00 0.35 0.00 0.00 41.96 37.66 1ad8 s TYR 76 CO 0.17 -1.92 1.77 -1.21 -1.34 0.00 0.00 175.55 173.02 1ad8 s GLU 77 N 5.52 3.43 0.20 4.97 2.02 -1.26 -4.96 118.70 128.62 1ad8 s GLU 77 Ca 0.43 -1.56 -0.32 0.00 0.02 0.00 0.00 54.97 53.54 1ad8 s GLU 77 Cb -0.09 -5.41 -0.14 0.00 0.10 0.00 0.00 34.13 28.59 1ad8 s GLU 77 CO 0.21 -2.81 1.39 -2.13 0.02 0.00 0.00 175.26 171.94 1ad8 n ARG 77 N 8.45 1.82 -0.35 1.61 0.63 -1.26 -1.64 116.66 125.91 1ad8 n ARG 77 Ca 0.45 0.65 0.00 0.00 -0.92 0.00 0.00 57.85 58.03 1ad8 n ARG 77 Cb 0.47 -2.30 0.00 0.00 0.45 0.00 0.00 32.46 31.08 1ad8 n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ad8 n ASN 78 N 2.41 0.00 0.00 6.15 4.13 -1.26 -4.75 115.26 121.94 1ad8 n ASN 78 Ca 0.14 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.36 1ad8 n ASN 78 Cb 0.29 -0.45 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 1ad8 n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1ad8 n ILE 79 N -2.00 1.08 -2.10 2.41 5.41 -0.76 -5.06 119.36 118.35 1ad8 n ILE 79 Ca 0.00 0.24 -0.31 0.00 1.00 0.00 0.00 62.75 63.68 1ad8 n ILE 79 Cb 0.00 -1.73 -0.01 0.00 -0.71 0.00 0.00 39.64 37.19 1ad8 n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ad8 s GLU 80 N -2.20 3.71 -0.06 0.38 -1.05 -0.65 -4.80 118.70 114.04 1ad8 s GLU 80 Ca -0.08 0.78 0.02 0.00 -0.15 0.00 0.00 54.97 55.55 1ad8 s GLU 80 Cb 0.02 -2.12 0.01 0.00 -0.44 0.00 0.00 34.13 31.60 1ad8 s GLU 80 CO 0.11 -0.45 -0.12 0.15 0.95 0.00 0.00 175.26 175.90 1ad8 s LYS 81 N -4.77 1.56 -0.23 -4.83 -0.14 0.85 -4.91 119.74 107.26 1ad8 s LYS 81 Ca 0.56 -0.40 -0.08 0.00 -1.36 0.00 0.00 55.97 54.68 1ad8 s LYS 81 Cb -0.11 -1.32 -0.04 0.00 -1.68 0.00 0.00 37.83 34.69 1ad8 s LYS 81 CO 0.46 0.06 0.09 0.42 -0.76 0.00 0.00 175.35 175.61 1ad8 s ILE 82 N 0.54 4.63 0.18 2.17 1.01 -1.26 -0.03 121.20 128.44 1ad8 s ILE 82 Ca -0.12 -0.07 0.10 0.00 0.00 0.00 0.00 60.65 60.56 1ad8 s ILE 82 Cb -0.14 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1ad8 s ILE 82 CO 0.03 0.36 -0.17 -0.44 0.00 0.00 0.00 174.94 174.72 1ad8 s SER 83 N 1.24 3.86 0.13 3.58 0.01 0.15 -4.93 113.70 117.72 1ad8 s SER 83 Ca 0.05 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.64 1ad8 s SER 83 Cb -0.14 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 1ad8 s SER 83 CO 0.04 0.12 0.17 -0.04 0.41 0.00 0.00 173.24 173.94 1ad8 s MET 84 N -2.68 3.09 -0.10 12.44 -1.94 -1.26 -0.59 119.30 128.25 1ad8 s MET 84 Ca 0.22 -0.71 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 1ad8 s MET 84 Cb -0.09 -2.79 -0.05 0.00 2.01 0.00 0.00 34.83 33.92 1ad8 s MET 84 CO 0.12 0.53 0.25 -0.51 -0.01 0.00 0.00 175.02 175.40 1ad8 s LEU 85 N -2.90 4.37 -0.10 -0.03 1.43 -1.26 -1.21 118.68 118.98 1ad8 s LEU 85 Ca 0.32 0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1ad8 s LEU 85 Cb -0.11 -2.28 -0.26 0.00 0.03 0.00 0.00 46.19 43.57 1ad8 s LEU 85 CO 0.25 0.30 0.45 1.21 0.23 0.00 0.00 176.35 178.79 1ad8 n GLU 86 N 2.43 0.73 -3.57 1.70 2.13 0.98 -4.71 120.64 120.34 1ad8 n GLU 86 Ca -0.16 0.27 -0.17 0.00 0.66 0.00 0.00 57.16 57.77 1ad8 n GLU 86 Cb 0.53 -1.73 -0.06 0.00 0.27 0.00 0.00 31.44 30.44 1ad8 n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ad8 s LYS 87 N -2.57 0.99 -0.06 5.31 2.36 -1.15 -5.00 119.74 119.62 1ad8 s LYS 87 Ca -0.18 0.10 0.06 0.00 -2.55 0.00 0.00 55.97 53.41 1ad8 s LYS 87 Cb 0.07 0.46 -0.01 0.00 -1.05 0.00 0.00 37.83 37.30 1ad8 s LYS 87 CO 0.79 -0.31 -0.24 0.42 1.55 0.00 0.00 175.35 177.55 1ad8 s ILE 88 N -1.41 2.15 -0.23 5.43 1.01 -1.26 -1.03 121.20 125.86 1ad8 s ILE 88 Ca -0.11 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.51 1ad8 s ILE 88 Cb -0.01 -1.78 0.06 0.00 0.01 0.00 0.00 42.46 40.74 1ad8 s ILE 88 CO 0.07 0.57 -0.02 -0.31 0.00 0.00 0.00 174.94 175.25 1ad8 s TYR 89 N -0.22 2.01 -0.14 3.97 2.02 0.49 -5.00 117.35 120.49 1ad8 s TYR 89 Ca -0.02 -1.53 -0.07 0.00 -0.37 0.00 0.00 57.07 55.08 1ad8 s TYR 89 Cb -0.13 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1ad8 s TYR 89 CO 0.03 -0.74 0.11 0.42 -1.57 0.00 0.00 175.55 173.81 1ad8 s ILE 90 N 1.52 5.27 0.09 2.71 1.01 -1.26 -0.17 121.20 130.37 1ad8 s ILE 90 Ca -0.04 0.12 -0.35 0.00 0.00 0.00 0.00 60.65 60.39 1ad8 s ILE 90 Cb -0.18 -3.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.83 1ad8 s ILE 90 CO -0.08 0.57 1.55 1.57 0.00 0.00 0.00 174.94 178.55 1ad8 n HIS 91 N 2.44 2.05 0.07 3.97 -0.00 -1.10 -4.85 115.22 117.79 1ad8 n HIS 91 Ca -0.19 0.36 0.17 0.00 -0.00 0.00 0.00 57.72 58.07 1ad8 n HIS 91 Cb 0.54 -2.49 0.69 0.00 -0.00 0.00 0.00 29.99 28.73 1ad8 n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ad8 h PRO 92 N 5.94 0.00 -0.44 1.57 0.13 -1.94 -2.54 132.00 134.71 1ad8 h PRO 92 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1ad8 h PRO 92 Cb 1.28 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 1ad8 h PRO 92 CO 0.87 0.00 0.05 0.54 -0.23 0.00 0.00 178.00 179.23 1ad8 n ARG 93 N -4.37 3.38 -1.78 0.86 1.74 -1.26 -4.99 116.66 110.24 1ad8 n ARG 93 Ca 0.06 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 53.72 1ad8 n ARG 93 Cb 0.47 -2.01 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 1ad8 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ad8 s TYR 94 N -2.91 2.42 -0.87 -1.55 5.04 -0.96 -4.74 117.35 113.78 1ad8 s TYR 94 Ca 0.48 0.17 -0.12 0.00 -2.44 0.00 0.00 57.07 55.16 1ad8 s TYR 94 Cb 0.39 -4.11 0.23 0.00 0.35 0.00 0.00 41.96 38.82 1ad8 s TYR 94 CO 0.10 -4.44 0.82 1.21 -1.34 0.00 0.00 175.55 171.90 1ad8 s ASN 95 N 2.23 6.79 0.34 4.32 3.84 0.19 -4.84 114.94 127.82 1ad8 s ASN 95 Ca 0.77 -2.89 0.24 0.00 0.21 0.00 0.00 52.86 51.20 1ad8 s ASN 95 Cb -0.45 -2.19 0.55 0.00 -0.55 0.00 0.00 41.25 38.61 1ad8 s ASN 95 CO 0.34 -0.50 1.68 4.11 -2.79 0.00 0.00 177.10 179.95 1ad8 h TRP 96 N 7.50 0.00 -0.12 0.43 5.08 -1.92 -0.06 115.95 126.87 1ad8 h TRP 96 Ca 0.12 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.94 1ad8 h TRP 96 Cb 1.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1ad8 h TRP 96 CO 0.97 0.00 -0.58 0.00 -1.28 0.00 0.00 178.44 177.55 1ad8 h ARG 97 N 0.00 0.37 0.00 0.12 3.08 -2.00 -3.44 114.38 112.51 1ad8 h ARG 97 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1ad8 h ARG 97 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1ad8 h ARG 97 CO 0.00 0.84 -0.00 -1.91 -1.07 0.00 0.00 179.97 177.83 1ad8 n GLU 97 N -3.91 0.00 -0.12 0.04 2.13 -1.25 -4.99 120.64 112.54 1ad8 n GLU 97 Ca -0.03 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.84 1ad8 n GLU 97 Cb 0.61 -0.08 0.06 0.00 0.27 0.00 0.00 31.44 32.30 1ad8 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ad8 n ASN 98 N -2.65 1.56 -2.79 4.31 6.94 -1.25 -4.97 115.26 116.42 1ad8 n ASN 98 Ca -0.00 -2.36 -0.21 0.00 -0.02 0.00 0.00 54.58 51.99 1ad8 n ASN 98 Cb 0.00 -0.22 0.03 0.00 -2.36 0.00 0.00 39.78 37.23 1ad8 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ad8 n LEU 99 N -0.76 -2.52 -4.76 -4.53 4.77 -0.04 -4.95 117.00 104.21 1ad8 n LEU 99 Ca 0.07 -0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.41 1ad8 n LEU 99 Cb 0.53 -2.88 -0.02 0.00 -2.33 0.00 0.00 43.42 38.71 1ad8 n LEU 99 CO 0.00 0.15 0.99 -0.62 -1.33 0.00 0.00 177.39 176.58 1ad8 s ASP 100 N -2.61 6.79 -1.21 -1.43 2.15 -1.21 -2.89 116.67 116.25 1ad8 s ASP 100 Ca 0.24 2.63 -0.03 0.00 0.43 0.00 0.00 52.55 55.82 1ad8 s ASP 100 Cb -0.11 -2.64 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1ad8 s ASP 100 CO 0.30 -0.54 1.03 0.54 -0.17 0.00 0.00 175.17 176.33 1ad8 n ARG 101 N 1.28 -6.89 -2.56 4.34 1.74 -1.26 -0.63 116.66 112.67 1ad8 n ARG 101 Ca 0.02 0.81 -0.43 0.00 -0.77 0.00 0.00 57.85 57.48 1ad8 n ARG 101 Cb 0.42 -5.75 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 1ad8 n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ad8 n ASP 102 N -2.97 4.91 -3.81 0.55 2.03 -1.14 -4.32 116.55 111.80 1ad8 n ASP 102 Ca -0.17 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.10 1ad8 n ASP 102 Cb 0.62 -1.74 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 1ad8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ad8 s ILE 103 N 4.09 0.06 -0.11 5.18 2.07 -1.26 -3.80 121.20 127.43 1ad8 s ILE 103 Ca 0.53 -0.47 -0.22 0.00 -1.41 0.00 0.00 60.65 59.08 1ad8 s ILE 103 Cb 0.04 -0.50 0.05 0.00 0.13 0.00 0.00 42.46 42.18 1ad8 s ILE 103 CO 0.07 -0.26 0.54 0.00 -1.91 0.00 0.00 174.94 173.39 1ad8 s ALA 104 N -1.09 -1.38 0.05 1.50 0.00 -0.44 -2.71 121.76 117.69 1ad8 s ALA 104 Ca -0.12 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1ad8 s ALA 104 Cb -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1ad8 s ALA 104 CO 0.03 -0.30 -0.11 -0.51 0.00 0.00 0.00 175.76 174.87 1ad8 s LEU 105 N -0.60 2.98 -0.08 0.00 1.43 0.76 -1.43 118.68 121.73 1ad8 s LEU 105 Ca -0.07 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1ad8 s LEU 105 Cb -0.03 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1ad8 s LEU 105 CO 0.05 0.24 -0.09 -0.04 0.23 0.00 0.00 176.35 176.74 1ad8 s MET 106 N -1.69 1.49 -0.15 1.70 -1.94 -0.25 -0.38 119.30 118.09 1ad8 s MET 106 Ca 0.18 -0.29 -0.14 0.00 -1.71 0.00 0.00 55.69 53.73 1ad8 s MET 106 Cb -0.11 -1.40 -0.05 0.00 2.01 0.00 0.00 34.83 35.28 1ad8 s MET 106 CO 0.09 -0.13 0.32 0.21 -0.01 0.00 0.00 175.02 175.50 1ad8 s LYS 107 N 1.20 4.23 0.31 2.03 2.20 -0.20 -1.53 119.74 127.97 1ad8 s LYS 107 Ca -0.05 0.15 -0.20 0.00 -0.36 0.00 0.00 55.97 55.50 1ad8 s LYS 107 Cb -0.14 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 1ad8 s LYS 107 CO -0.02 0.26 0.82 -0.51 -0.36 0.00 0.00 175.35 175.54 1ad8 s LEU 108 N 0.38 4.21 0.16 5.43 1.43 -0.11 -0.01 118.68 130.17 1ad8 s LEU 108 Ca 0.18 1.54 -0.16 0.00 -1.03 0.00 0.00 54.13 54.66 1ad8 s LEU 108 Cb -0.13 -3.98 0.08 0.00 0.03 0.00 0.00 46.19 42.19 1ad8 s LEU 108 CO 0.05 -0.12 1.74 0.11 0.23 0.00 0.00 176.35 178.36 1ad8 h LYS 109 N 2.82 0.22 -5.31 1.70 1.57 -1.44 -3.41 116.57 112.72 1ad8 h LYS 109 Ca -0.48 -0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 57.86 1ad8 h LYS 109 Cb 1.19 -0.05 -0.24 0.00 0.08 0.00 0.00 32.23 33.21 1ad8 h LYS 109 CO 0.64 0.15 -0.79 0.15 -0.57 0.00 0.00 179.45 179.03 1ad8 s LYS 110 N -6.16 0.89 0.50 3.15 1.02 -1.26 -4.97 119.74 112.91 1ad8 s LYS 110 Ca -0.13 -0.81 -0.23 0.00 0.02 0.00 0.00 55.97 54.82 1ad8 s LYS 110 Cb 0.13 -0.90 -0.06 0.00 -0.52 0.00 0.00 37.83 36.47 1ad8 s LYS 110 CO 0.71 0.22 1.30 -2.14 -0.92 0.00 0.00 175.35 174.52 1ad8 s PRO 111 N -1.30 3.44 0.11 -1.68 0.02 -1.26 -4.87 135.00 129.47 1ad8 s PRO 111 Ca 0.00 2.11 -0.06 0.00 0.02 0.00 0.00 61.00 63.07 1ad8 s PRO 111 Cb -0.08 -2.38 -0.06 0.00 0.02 0.00 0.00 34.50 32.00 1ad8 s PRO 111 CO 0.01 -0.91 0.37 0.14 -0.33 0.00 0.00 177.00 176.29 1ad8 s VAL 112 N -1.36 5.16 -0.12 3.83 -7.23 0.12 -5.00 120.40 115.81 1ad8 s VAL 112 Ca 0.67 0.15 -0.19 0.00 -1.81 0.00 0.00 61.98 60.79 1ad8 s VAL 112 Cb -0.37 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 1ad8 s VAL 112 CO 0.45 0.13 0.54 0.00 -0.31 0.00 0.00 175.10 175.90 1ad8 s ALA 113 N -1.56 3.45 0.74 1.32 0.00 -1.26 -4.80 121.76 119.64 1ad8 s ALA 113 Ca 0.38 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1ad8 s ALA 113 Cb -0.13 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1ad8 s ALA 113 CO 0.22 -0.08 1.08 -0.06 0.00 0.00 0.00 175.76 176.92 1ad8 s PHE 114 N 0.80 2.78 0.01 0.00 0.08 -1.26 -4.91 117.98 115.48 1ad8 s PHE 114 Ca 0.29 1.51 -0.00 0.00 0.12 0.00 0.00 56.93 58.84 1ad8 s PHE 114 Cb -0.16 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1ad8 s PHE 114 CO 0.12 -1.57 0.01 -1.13 -0.10 0.00 0.00 175.22 172.55 1ad8 n SER 115 N -3.30 -0.03 0.30 1.36 3.41 -0.03 -4.94 113.62 110.39 1ad8 n SER 115 Ca 0.09 -1.02 0.18 0.00 -0.26 0.00 0.00 58.87 57.85 1ad8 n SER 115 Cb 0.53 0.06 0.92 0.00 -0.26 0.00 0.00 64.21 65.46 1ad8 n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ad8 h ASP 116 N 0.03 0.00 -0.01 4.04 3.32 -1.99 -2.88 116.42 118.93 1ad8 h ASP 116 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ad8 h ASP 116 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ad8 h ASP 116 CO 0.01 0.04 -0.27 -1.22 -1.72 0.00 0.00 179.24 176.07 1ad8 n TYR 117 N -3.30 0.00 -3.80 4.55 4.01 -1.26 -4.71 117.16 112.65 1ad8 n TYR 117 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1ad8 n TYR 117 Cb 0.18 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.04 1ad8 n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ad8 s ILE 118 N -1.56 0.69 -0.28 -0.72 1.01 -1.09 -4.20 121.20 115.07 1ad8 s ILE 118 Ca 0.09 -0.41 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1ad8 s ILE 118 Cb 0.09 -0.99 0.09 0.00 0.01 0.00 0.00 42.46 41.66 1ad8 s ILE 118 CO 0.31 0.03 0.79 -2.28 0.00 0.00 0.00 174.94 173.79 1ad8 s HIS 119 N 1.81 -0.80 0.50 3.97 2.46 -0.37 -0.85 115.29 122.00 1ad8 s HIS 119 Ca 0.01 1.79 -0.20 0.00 0.47 0.00 0.00 55.06 57.13 1ad8 s HIS 119 Cb -0.15 0.41 -0.08 0.00 -0.13 0.00 0.00 32.58 32.63 1ad8 s HIS 119 CO -0.07 -0.39 1.04 -1.25 -2.47 0.00 0.00 174.74 171.60 1ad8 s PRO 120 N 0.85 3.76 0.39 2.88 0.04 -1.26 -2.44 135.00 139.21 1ad8 s PRO 120 Ca -0.04 1.34 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1ad8 s PRO 120 Cb -0.05 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1ad8 s PRO 120 CO -0.08 -0.47 0.64 0.54 0.04 0.00 0.00 177.00 177.67 1ad8 s VAL 121 N -2.03 5.01 0.30 -0.36 0.11 -0.57 -4.93 120.40 117.94 1ad8 s VAL 121 Ca 0.67 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1ad8 s VAL 121 Cb -0.16 -3.84 -0.06 0.00 -1.53 0.00 0.00 36.38 30.79 1ad8 s VAL 121 CO 0.22 -0.62 0.60 0.00 -3.33 0.00 0.00 175.10 171.97 1ad8 s LEU 123 N -3.42 4.19 0.72 0.00 1.43 -1.26 -0.54 118.68 119.80 1ad8 s LEU 123 Ca 0.47 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.81 1ad8 s LEU 123 Cb -0.11 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1ad8 s LEU 123 CO 0.28 0.40 1.13 -2.16 0.23 0.00 0.00 176.35 176.23 1ad8 s PRO 124 N -0.97 2.37 0.41 1.29 0.04 -1.26 -4.92 135.00 131.96 1ad8 s PRO 124 Ca 0.14 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.72 1ad8 s PRO 124 Cb -0.12 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1ad8 s PRO 124 CO 0.03 -1.60 0.22 0.16 0.04 0.00 0.00 177.00 175.86 1ad8 s ASP 125 N -2.59 4.56 0.20 6.66 1.47 -1.26 -4.92 116.67 120.78 1ad8 s ASP 125 Ca 0.68 -1.01 -0.18 0.00 1.18 0.00 0.00 52.55 53.23 1ad8 s ASP 125 Cb -0.22 -0.50 0.17 0.00 -0.34 0.00 0.00 42.92 42.03 1ad8 s ASP 125 CO 0.46 -0.57 1.60 -0.09 0.68 0.00 0.00 175.17 177.26 1ad8 h ARG 126 N 1.34 -0.10 -0.25 2.11 2.43 -1.98 -2.32 114.38 115.61 1ad8 h ARG 126 Ca -0.42 0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.62 1ad8 h ARG 126 Cb 1.26 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1ad8 h ARG 126 CO 0.67 -0.07 -0.38 0.93 -1.51 0.00 0.00 179.97 179.62 1ad8 h GLU 127 N -0.10 0.57 -0.85 0.20 4.39 -2.04 -1.37 114.58 115.38 1ad8 h GLU 127 Ca 0.26 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ad8 h GLU 127 Cb 0.52 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1ad8 h GLU 127 CO -0.66 0.86 0.00 2.41 -1.16 0.00 0.00 179.01 180.46 1ad8 n THR 128 N -4.04 0.12 0.00 1.13 -1.04 -0.87 -1.26 114.28 108.31 1ad8 n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1ad8 n THR 128 Cb 0.50 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1ad8 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ad8 n ALA 129 N 0.55 0.00 -0.12 2.41 0.00 -0.52 -1.02 120.51 121.81 1ad8 n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1ad8 n ALA 129 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 1ad8 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ad8 h SER 129 N 0.00 0.93 0.34 0.00 0.02 -1.45 -3.36 113.55 110.03 1ad8 h SER 129 Ca 0.00 -0.45 -0.32 0.00 -0.84 0.00 0.00 61.79 60.18 1ad8 h SER 129 Cb 0.00 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 1ad8 h SER 129 CO 0.00 1.18 -1.90 0.18 -1.14 0.00 0.00 176.83 175.15 1ad8 n LEU 129 N -4.14 0.95 -4.09 5.07 4.77 -0.18 -4.62 117.00 114.76 1ad8 n LEU 129 Ca -0.02 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 1ad8 n LEU 129 Cb 0.50 0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1ad8 n LEU 129 CO 0.47 0.48 2.33 0.18 -1.33 0.00 0.00 177.39 179.51 1ad8 n LEU 130 N -3.04 5.79 -4.00 2.23 4.77 -1.26 -4.81 117.00 116.68 1ad8 n LEU 130 Ca -0.22 -3.94 -0.20 0.00 -0.03 0.00 0.00 56.01 51.62 1ad8 n LEU 130 Cb 1.07 -1.66 -0.15 0.00 -2.33 0.00 0.00 43.42 40.34 1ad8 n LEU 130 CO 0.44 0.52 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.48 1ad8 s GLN 131 N 3.85 0.96 0.15 3.23 -0.21 -1.26 -4.92 119.66 121.45 1ad8 s GLN 131 Ca 0.51 -0.31 -0.34 0.00 0.02 0.00 0.00 55.36 55.25 1ad8 s GLN 131 Cb 0.10 -0.90 -0.16 0.00 1.00 0.00 0.00 33.01 33.05 1ad8 s GLN 131 CO -0.00 0.12 1.14 0.00 -2.12 0.00 0.00 175.29 174.43 1ad8 n ALA 132 N 3.26 -1.19 0.00 6.09 0.00 -1.26 -1.05 120.51 126.36 1ad8 n ALA 132 Ca -0.18 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ad8 n ALA 132 Cb 0.54 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.01 1ad8 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ad8 n GLY 133 N 2.03 3.07 3.77 0.00 0.00 0.37 -4.93 105.19 109.50 1ad8 n GLY 133 Ca 0.16 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.16 1ad8 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ad8 s TYR 134 N -1.57 2.85 0.03 1.61 1.51 -0.22 -4.49 117.35 117.06 1ad8 s TYR 134 Ca 0.00 1.40 -0.04 0.00 -1.01 0.00 0.00 57.07 57.42 1ad8 s TYR 134 Cb 0.00 -3.69 -0.04 0.00 -0.11 0.00 0.00 41.96 38.11 1ad8 s TYR 134 CO 0.00 -2.10 0.25 0.15 -1.11 0.00 0.00 175.55 172.73 1ad8 s LYS 135 N -2.15 3.52 0.45 -0.62 1.02 -1.26 -0.21 119.74 120.50 1ad8 s LYS 135 Ca 0.55 -0.22 0.02 0.00 0.02 0.00 0.00 55.97 56.34 1ad8 s LYS 135 Cb -0.39 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 1ad8 s LYS 135 CO 0.51 0.62 0.06 0.41 -0.92 0.00 0.00 175.35 176.03 1ad8 n GLY 136 N 0.78 3.44 2.95 -3.33 0.00 0.69 -4.84 105.19 104.88 1ad8 n GLY 136 Ca -0.09 -2.26 -0.20 0.00 0.00 0.00 0.00 46.02 43.47 1ad8 n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ad8 s ARG 137 N -3.67 0.87 0.00 1.61 3.52 -0.32 -0.26 118.95 120.70 1ad8 s ARG 137 Ca 0.09 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 55.55 1ad8 s ARG 137 Cb 0.00 -0.83 -0.03 0.00 -1.56 0.00 0.00 34.95 32.54 1ad8 s ARG 137 CO 0.06 0.02 -0.22 0.08 -0.81 0.00 0.00 175.30 174.43 1ad8 s VAL 138 N 0.49 2.41 0.02 7.11 1.01 -0.02 -1.08 120.40 130.35 1ad8 s VAL 138 Ca -0.07 -1.13 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1ad8 s VAL 138 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1ad8 s VAL 138 CO 0.00 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 175.96 1ad8 s THR 139 N -0.75 0.23 0.00 3.92 -4.23 -1.25 -1.63 115.64 111.94 1ad8 s THR 139 Ca 0.12 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1ad8 s THR 139 Cb -0.10 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.40 1ad8 s THR 139 CO 0.01 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1ad8 n GLY 140 N 1.73 0.15 1.15 3.99 0.00 -1.04 -4.54 105.19 106.63 1ad8 n GLY 140 Ca -0.22 -0.95 0.03 0.00 0.00 0.00 0.00 46.02 44.88 1ad8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ad8 n TRP 141 N -0.22 1.24 -1.46 1.61 8.01 -1.26 -1.99 117.44 123.38 1ad8 n TRP 141 Ca 0.00 -1.11 -0.29 0.00 -1.31 0.00 0.00 57.50 54.80 1ad8 n TRP 141 Cb 0.00 -0.42 0.22 0.00 -2.01 0.00 0.00 31.31 29.10 1ad8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ad8 n GLY 142 N -0.60 -2.13 3.70 6.99 0.00 -1.26 -4.50 105.19 107.39 1ad8 n GLY 142 Ca 0.28 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 1ad8 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ad8 n ASN 143 N -4.32 2.73 -0.00 1.61 3.02 0.10 -3.08 115.26 115.31 1ad8 n ASN 143 Ca 0.15 1.20 0.13 0.00 -0.03 0.00 0.00 54.58 56.04 1ad8 n ASN 143 Cb 0.56 -1.48 0.48 0.00 -0.61 0.00 0.00 39.78 38.73 1ad8 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ad8 n LEU 144 N 0.74 0.21 -3.72 3.41 4.77 0.93 -1.24 117.00 122.10 1ad8 n LEU 144 Ca 0.05 0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 1ad8 n LEU 144 Cb 0.36 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1ad8 n LEU 144 CO 0.62 0.05 0.73 -0.75 -1.33 0.00 0.00 177.39 176.72 1ad8 s LYS 145 N -2.98 1.11 0.00 3.23 2.47 -1.26 -4.31 119.74 118.00 1ad8 s LYS 145 Ca 0.13 -0.60 0.00 0.00 -1.56 0.00 0.00 55.97 53.95 1ad8 s LYS 145 Cb 0.18 0.39 0.00 0.00 -1.46 0.00 0.00 37.83 36.95 1ad8 s LYS 145 CO 0.59 -0.51 0.00 0.39 0.16 0.00 0.00 175.35 175.99 1ad8 n GLU 146 N -0.45 0.00 0.00 4.03 -0.58 -1.26 -4.94 120.64 117.44 1ad8 n GLU 146 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1ad8 n GLU 146 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 1ad8 n GLU 146 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 1ad8 n THR 147 N 7.44 0.00 0.00 2.62 5.66 -1.26 -3.81 114.28 124.92 1ad8 n THR 147 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ad8 n THR 147 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1ad8 n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ad8 n GLY 150 N 0.00 0.37 3.86 1.09 0.00 -1.26 -4.71 105.19 104.53 1ad8 n GLY 150 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ad8 n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ad8 s GLN 151 N 1.56 3.66 0.77 1.61 -1.52 -1.26 -0.05 119.66 124.42 1ad8 s GLN 151 Ca 0.00 0.08 -0.11 0.00 -1.95 0.00 0.00 55.36 53.38 1ad8 s GLN 151 Cb 0.00 -3.21 0.05 0.00 -0.22 0.00 0.00 33.01 29.63 1ad8 s GLN 151 CO 0.00 0.72 1.09 -1.25 -0.25 0.00 0.00 175.29 175.60 1ad8 s PRO 152 N -0.98 2.31 -0.09 2.91 0.04 -1.26 -4.95 135.00 132.98 1ad8 s PRO 152 Ca 0.18 0.69 -0.05 0.00 0.04 0.00 0.00 61.00 61.87 1ad8 s PRO 152 Cb -0.14 -1.94 -0.27 0.00 0.04 0.00 0.00 34.50 32.20 1ad8 s PRO 152 CO 0.07 -1.48 0.50 1.03 0.04 0.00 0.00 177.00 177.17 1ad8 h SER 153 N -0.98 0.40 -3.09 6.66 0.87 -1.96 -3.44 113.55 112.00 1ad8 h SER 153 Ca -0.46 -0.79 -0.47 0.00 -1.23 0.00 0.00 61.79 58.83 1ad8 h SER 153 Cb 1.26 -0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 62.95 1ad8 h SER 153 CO 0.59 1.70 -0.67 0.68 -0.53 0.00 0.00 176.83 178.60 1ad8 s VAL 154 N -2.57 1.52 0.20 2.23 -7.23 -1.26 -0.68 120.40 112.61 1ad8 s VAL 154 Ca -0.18 -2.10 -0.32 0.00 -1.81 0.00 0.00 61.98 57.57 1ad8 s VAL 154 Cb 0.07 -2.45 -0.15 0.00 0.56 0.00 0.00 36.38 34.41 1ad8 s VAL 154 CO 0.80 -0.29 1.26 -0.11 -0.31 0.00 0.00 175.10 176.44 1ad8 n LEU 155 N -0.56 2.11 -4.86 1.32 7.94 -0.07 -4.82 117.00 118.05 1ad8 n LEU 155 Ca -0.05 1.14 -0.21 0.00 -1.11 0.00 0.00 56.01 55.78 1ad8 n LEU 155 Cb 0.64 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 1ad8 n LEU 155 CO 0.39 -1.00 -0.10 -1.10 -1.11 0.00 0.00 177.39 174.48 1ad8 s GLN 156 N -0.37 2.90 -0.06 1.96 -1.52 -0.84 -0.40 119.66 121.34 1ad8 s GLN 156 Ca 0.72 -1.13 -0.12 0.00 -1.95 0.00 0.00 55.36 52.88 1ad8 s GLN 156 Cb -0.78 -2.58 0.02 0.00 -0.22 0.00 0.00 33.01 29.46 1ad8 s GLN 156 CO 0.51 0.24 0.29 0.54 -0.25 0.00 0.00 175.29 176.62 1ad8 s VAL 157 N -2.20 0.03 -0.10 1.09 0.11 0.11 -2.49 120.40 116.95 1ad8 s VAL 157 Ca 0.38 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.06 1ad8 s VAL 157 Cb -0.07 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1ad8 s VAL 157 CO 0.27 -0.14 0.29 0.54 -3.33 0.00 0.00 175.10 172.73 1ad8 s VAL 158 N -0.59 0.01 -0.19 2.04 0.11 -0.64 -1.26 120.40 119.87 1ad8 s VAL 158 Ca -0.07 -0.05 -0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1ad8 s VAL 158 Cb -0.04 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1ad8 s VAL 158 CO 0.02 -0.03 0.07 0.20 -3.33 0.00 0.00 175.10 172.03 1ad8 s ASN 159 N 0.03 5.60 0.02 3.54 0.01 -1.26 -0.84 114.94 122.04 1ad8 s ASN 159 Ca -0.01 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.22 1ad8 s ASN 159 Cb -0.02 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1ad8 s ASN 159 CO 0.01 0.15 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.89 1ad8 s LEU 160 N 0.53 2.12 0.33 0.60 1.43 0.64 -4.91 118.68 119.42 1ad8 s LEU 160 Ca 0.03 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.58 1ad8 s LEU 160 Cb -0.13 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 1ad8 s LEU 160 CO 0.01 -0.01 0.88 -2.16 0.23 0.00 0.00 176.35 175.30 1ad8 s PRO 161 N -0.82 4.36 0.33 1.29 0.04 -1.26 -0.22 135.00 138.72 1ad8 s PRO 161 Ca -0.01 1.11 -0.27 0.00 0.04 0.00 0.00 61.00 61.86 1ad8 s PRO 161 Cb -0.06 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 1ad8 s PRO 161 CO 0.00 0.20 1.13 0.42 0.04 0.00 0.00 177.00 178.80 1ad8 s ILE 162 N -1.80 3.34 0.09 0.56 -1.09 0.71 -1.38 121.20 121.64 1ad8 s ILE 162 Ca 0.53 1.24 0.05 0.00 -2.23 0.00 0.00 60.65 60.24 1ad8 s ILE 162 Cb -0.15 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 1ad8 s ILE 162 CO 0.19 0.21 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.41 1ad8 s VAL 163 N -1.30 3.90 0.34 2.92 1.01 -0.82 -0.48 120.40 125.97 1ad8 s VAL 163 Ca 0.50 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1ad8 s VAL 163 Cb -0.31 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 1ad8 s VAL 163 CO 0.40 0.11 1.46 -1.61 0.00 0.00 0.00 175.10 175.46 1ad8 s GLU 164 N -2.31 4.18 0.23 2.72 8.01 -1.26 -4.62 118.70 125.65 1ad8 s GLU 164 Ca 0.25 2.47 -0.09 0.00 0.01 0.00 0.00 54.97 57.61 1ad8 s GLU 164 Cb -0.12 -3.02 0.37 0.00 -4.31 0.00 0.00 34.13 27.06 1ad8 s GLU 164 CO 0.18 -0.47 1.65 -0.09 0.01 0.00 0.00 175.26 176.54 1ad8 h ARG 165 N 3.64 0.12 -0.86 1.61 2.43 -1.98 -1.88 114.38 117.46 1ad8 h ARG 165 Ca -0.49 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 58.77 1ad8 h ARG 165 Cb 1.23 -0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 1ad8 h ARG 165 CO 0.69 0.08 0.50 -1.35 -1.51 0.00 0.00 179.97 178.38 1ad8 h PRO 166 N 0.12 0.81 -0.50 0.20 0.11 -2.00 -0.42 132.00 130.32 1ad8 h PRO 166 Ca 0.37 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 1ad8 h PRO 166 Cb 0.62 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1ad8 h PRO 166 CO -0.58 0.54 -0.09 0.28 -0.21 0.00 0.00 178.00 177.93 1ad8 h VAL 167 N 0.83 1.26 -0.42 3.15 2.07 -1.74 -1.73 116.25 119.69 1ad8 h VAL 167 Ca 0.42 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ad8 h VAL 167 Cb 0.39 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1ad8 h VAL 167 CO -0.25 0.42 0.23 0.00 0.02 0.00 0.00 177.57 177.99 1ad8 h LYS 169 N 0.54 0.83 0.00 0.00 1.57 -1.00 -3.04 116.57 115.47 1ad8 h LYS 169 Ca 0.15 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ad8 h LYS 169 Cb 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1ad8 h LYS 169 CO -0.02 0.83 0.00 -0.25 -0.57 0.00 0.00 179.45 179.44 1ad8 n ASP 170 N -4.40 0.00 0.01 0.86 8.00 -0.66 -2.99 116.55 117.37 1ad8 n ASP 170 Ca 0.01 -0.14 0.11 0.00 0.71 0.00 0.00 54.79 55.48 1ad8 n ASP 170 Cb 0.26 -0.23 0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1ad8 n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ad8 n SER 171 N -1.23 0.67 -4.22 -2.24 3.41 -1.03 -4.98 113.62 103.98 1ad8 n SER 171 Ca 0.11 -0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.19 1ad8 n SER 171 Cb 0.15 0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 64.69 1ad8 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ad8 s THR 172 N -3.09 0.25 -0.65 6.66 -1.32 -1.16 -4.88 115.64 111.45 1ad8 s THR 172 Ca 0.07 -1.98 0.22 0.00 -1.21 0.00 0.00 61.69 58.79 1ad8 s THR 172 Cb 0.16 -2.38 -0.25 0.00 -1.51 0.00 0.00 72.50 68.51 1ad8 s THR 172 CO 0.79 -0.17 0.79 0.54 -2.21 0.00 0.00 174.62 174.36 1ad8 n ARG 173 N -0.28 0.24 -2.36 7.08 1.74 -1.26 -4.95 116.66 116.87 1ad8 n ARG 173 Ca -0.01 -0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.60 1ad8 n ARG 173 Cb 0.65 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1ad8 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ad8 s ILE 174 N -3.18 3.26 -0.24 0.55 1.01 -1.26 -4.98 121.20 116.37 1ad8 s ILE 174 Ca 0.03 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.64 1ad8 s ILE 174 Cb 0.15 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.81 1ad8 s ILE 174 CO 0.87 0.29 1.41 -0.60 0.00 0.00 0.00 174.94 176.91 1ad8 s ARG 175 N -1.42 3.96 0.06 2.79 3.52 -1.26 -5.01 118.95 121.58 1ad8 s ARG 175 Ca 0.47 1.50 -0.21 0.00 -0.13 0.00 0.00 55.73 57.36 1ad8 s ARG 175 Cb -0.34 -3.91 -0.06 0.00 -1.56 0.00 0.00 34.95 29.07 1ad8 s ARG 175 CO 0.44 -1.07 0.61 0.42 -0.81 0.00 0.00 175.30 174.89 1ad8 s ILE 176 N 4.42 4.74 0.51 4.11 -1.09 -1.26 -4.83 121.20 127.81 1ad8 s ILE 176 Ca 0.61 1.31 0.04 0.00 -2.23 0.00 0.00 60.65 60.38 1ad8 s ILE 176 Cb -0.21 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1ad8 s ILE 176 CO 0.24 0.50 0.19 0.42 -1.23 0.00 0.00 174.94 175.05 1ad8 s THR 177 N -0.78 1.55 -0.28 2.92 -4.23 -1.26 -5.02 115.64 108.53 1ad8 s THR 177 Ca 0.31 -1.75 0.28 0.00 -1.18 0.00 0.00 61.69 59.34 1ad8 s THR 177 Cb -0.20 -2.30 0.32 0.00 1.34 0.00 0.00 72.50 71.66 1ad8 s THR 177 CO 0.20 0.00 1.82 0.44 -0.54 0.00 0.00 174.62 176.53 1ad8 h ASP 178 N 1.14 0.00 -0.07 3.99 3.32 -2.03 -2.98 116.42 119.80 1ad8 h ASP 178 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1ad8 h ASP 178 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1ad8 h ASP 178 CO 0.67 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.78 1ad8 n ASN 179 N -2.66 0.89 -4.14 6.45 3.02 -1.26 -4.84 115.26 112.72 1ad8 n ASN 179 Ca 0.02 -2.04 -0.09 0.00 -0.03 0.00 0.00 54.58 52.44 1ad8 n ASN 179 Cb 0.31 -0.26 -0.10 0.00 -0.61 0.00 0.00 39.78 39.13 1ad8 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ad8 s MET 180 N -1.58 0.81 0.05 3.52 -1.94 -1.13 -0.35 119.30 118.69 1ad8 s MET 180 Ca 0.05 -1.35 -0.16 0.00 -1.71 0.00 0.00 55.69 52.53 1ad8 s MET 180 Cb 0.03 0.08 0.03 0.00 2.01 0.00 0.00 34.83 36.98 1ad8 s MET 180 CO 0.03 -0.14 0.36 -0.59 -0.01 0.00 0.00 175.02 174.67 1ad8 s PHE 181 N -3.87 -0.18 0.29 -0.03 -0.12 -0.72 -4.78 117.98 108.57 1ad8 s PHE 181 Ca 0.15 0.07 0.11 0.00 -0.05 0.00 0.00 56.93 57.21 1ad8 s PHE 181 Cb 0.07 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.57 1ad8 s PHE 181 CO -0.04 -0.55 -0.12 0.00 -0.05 0.00 0.00 175.22 174.45 1ad8 s ALA 183 N -2.48 -0.78 0.00 0.00 0.00 -0.42 -1.94 121.76 116.14 1ad8 s ALA 183 Ca 0.31 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1ad8 s ALA 183 Cb -0.04 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1ad8 s ALA 183 CO 0.17 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1ad8 n GLY 184 N 1.04 1.35 3.87 0.00 0.00 -0.48 -2.08 105.19 108.89 1ad8 n GLY 184 Ca -0.21 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1ad8 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ad8 s TYR 184 N -1.79 3.59 0.45 1.61 2.02 -1.26 -4.35 117.35 117.61 1ad8 s TYR 184 Ca 0.00 0.76 -0.21 0.00 -0.37 0.00 0.00 57.07 57.25 1ad8 s TYR 184 Cb 0.00 -2.13 -0.10 0.00 -0.40 0.00 0.00 41.96 39.33 1ad8 s TYR 184 CO 0.00 0.54 0.99 0.15 -1.57 0.00 0.00 175.55 175.66 1ad8 s LYS 185 N -1.87 4.03 0.51 -0.62 1.02 -1.26 -4.76 119.74 116.80 1ad8 s LYS 185 Ca 0.32 1.25 0.33 0.00 0.02 0.00 0.00 55.97 57.88 1ad8 s LYS 185 Cb -0.14 -2.16 1.46 0.00 -0.52 0.00 0.00 37.83 36.48 1ad8 s LYS 185 CO 0.18 -0.22 1.80 -1.35 -0.92 0.00 0.00 175.35 174.84 1ad8 h PRO 186 N 1.78 0.08 -0.25 -1.68 0.11 -1.95 0.16 132.00 130.24 1ad8 h PRO 186 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ad8 h PRO 186 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ad8 h PRO 186 CO 0.60 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 1ad8 n ASP 186 N -4.28 1.55 0.03 -2.05 5.68 -1.26 -4.07 116.55 112.15 1ad8 n ASP 186 Ca 0.25 -1.89 0.11 0.00 -0.50 0.00 0.00 54.79 52.77 1ad8 n ASP 186 Cb 1.16 -0.17 0.09 0.00 -1.14 0.00 0.00 41.12 41.06 1ad8 n ASP 186 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ad8 n GLU 186 N 0.31 0.24 -1.15 0.11 1.02 0.04 -4.98 120.64 116.23 1ad8 n GLU 186 Ca 0.12 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.23 1ad8 n GLU 186 Cb 0.27 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1ad8 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ad8 n GLY 186 N 1.38 0.71 3.11 0.62 0.00 -1.26 -5.00 105.19 104.76 1ad8 n GLY 186 Ca 0.03 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1ad8 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ad8 s LYS 186 N -1.91 0.70 0.36 1.61 1.02 -1.26 -5.16 119.74 115.10 1ad8 s LYS 186 Ca 0.00 -0.81 0.03 0.00 0.02 0.00 0.00 55.97 55.21 1ad8 s LYS 186 Cb 0.00 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1ad8 s LYS 186 CO 0.00 0.14 0.11 0.54 -0.92 0.00 0.00 175.35 175.22 1ad8 n ARG 187 N 1.53 0.67 0.00 1.68 1.74 -1.26 -4.68 116.66 116.34 1ad8 n ARG 187 Ca -0.21 -3.01 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 1ad8 n ARG 187 Cb 0.55 1.52 0.00 0.00 -1.02 0.00 0.00 32.46 33.51 1ad8 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ad8 n GLY 188 N -0.36 4.50 3.72 -0.13 0.00 -1.25 -4.92 105.19 106.75 1ad8 n GLY 188 Ca -0.07 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.71 1ad8 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ad8 s ASP 189 N 0.00 -0.08 0.78 1.61 2.15 -0.76 -4.69 116.67 115.66 1ad8 s ASP 189 Ca 0.00 -0.29 -0.04 0.00 0.43 0.00 0.00 52.55 52.66 1ad8 s ASP 189 Cb 0.00 0.30 0.15 0.00 -0.30 0.00 0.00 42.92 43.07 1ad8 s ASP 189 CO 0.00 -0.57 1.07 0.00 -0.17 0.00 0.00 175.17 175.50 1ad8 s ALA 190 N -2.65 3.43 0.20 3.66 0.00 -1.26 -0.73 121.76 124.41 1ad8 s ALA 190 Ca 0.16 -1.68 -0.08 0.00 0.00 0.00 0.00 51.96 50.36 1ad8 s ALA 190 Cb 0.02 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.04 1ad8 s ALA 190 CO -0.01 -1.69 0.42 0.00 0.00 0.00 0.00 175.76 174.48 1ad8 n GLU 192 N -0.28 1.71 0.00 0.00 1.02 -1.26 -1.50 120.64 120.32 1ad8 n GLU 192 Ca -0.04 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1ad8 n GLU 192 Cb 0.31 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1ad8 n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ad8 n GLY 193 N 2.58 3.47 0.16 0.62 0.00 -1.26 0.00 105.19 110.76 1ad8 n GLY 193 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1ad8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ad8 h ASP 194 N 0.00 0.00 -1.04 1.61 3.32 -1.61 -3.36 116.42 115.35 1ad8 h ASP 194 Ca 0.00 -0.02 -0.68 0.00 0.02 0.00 0.00 57.03 56.36 1ad8 h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1ad8 h ASP 194 CO 0.00 0.01 -0.48 -1.20 -1.72 0.00 0.00 179.24 175.85 1ad8 n SER 195 N -2.77 -1.11 0.00 6.45 7.64 -1.26 -1.51 113.62 121.07 1ad8 n SER 195 Ca 0.04 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1ad8 n SER 195 Cb 0.51 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1ad8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ad8 n GLY 196 N 1.95 2.58 3.80 0.23 0.00 -0.08 -0.24 105.19 113.43 1ad8 n GLY 196 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ad8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ad8 s GLY 197 N -1.96 1.62 0.22 -0.02 0.00 -0.57 -3.01 107.32 103.60 1ad8 s GLY 197 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 44.72 44.25 1ad8 s GLY 197 CO 0.00 0.20 0.76 2.56 0.00 0.00 0.00 173.10 176.62 1ad8 s PRO 198 N -5.17 4.37 -0.28 2.90 0.04 -1.26 -0.42 135.00 135.18 1ad8 s PRO 198 Ca 0.61 1.00 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1ad8 s PRO 198 Cb -0.15 -2.97 0.02 0.00 0.04 0.00 0.00 34.50 31.45 1ad8 s PRO 198 CO 0.54 0.43 0.02 0.12 0.04 0.00 0.00 177.00 178.15 1ad8 s PHE 199 N -1.44 3.13 0.26 0.56 2.19 -0.31 -3.75 117.98 118.62 1ad8 s PHE 199 Ca 0.42 -1.31 0.11 0.00 0.33 0.00 0.00 56.93 56.48 1ad8 s PHE 199 Cb -0.19 -2.16 -0.05 0.00 -1.31 0.00 0.00 43.02 39.32 1ad8 s PHE 199 CO 0.23 -0.67 -0.16 0.14 1.83 0.00 0.00 175.22 176.58 1ad8 s VAL 200 N 1.40 2.68 0.04 3.12 -7.23 -0.24 -0.86 120.40 119.32 1ad8 s VAL 200 Ca 0.01 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 57.98 1ad8 s VAL 200 Cb -0.17 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1ad8 s VAL 200 CO -0.01 -0.33 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.34 1ad8 s MET 201 N -3.36 0.52 -0.26 4.82 -1.94 -0.20 -1.17 119.30 117.70 1ad8 s MET 201 Ca 0.28 -0.78 -0.10 0.00 -1.71 0.00 0.00 55.69 53.39 1ad8 s MET 201 Cb -0.06 -0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.52 1ad8 s MET 201 CO 0.15 0.03 0.14 0.21 -0.01 0.00 0.00 175.02 175.54 1ad8 s LYS 202 N -1.75 3.88 0.02 2.03 2.20 -1.26 -0.96 119.74 123.89 1ad8 s LYS 202 Ca -0.09 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1ad8 s LYS 202 Cb -0.09 -3.51 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1ad8 s LYS 202 CO -0.00 -0.11 1.49 0.45 -0.36 0.00 0.00 175.35 176.81 1ad8 s SER 203 N 1.50 6.77 0.00 1.43 0.15 0.03 -4.90 113.70 118.68 1ad8 s SER 203 Ca 0.07 2.22 0.28 0.00 0.70 0.00 0.00 55.95 59.22 1ad8 s SER 203 Cb -0.15 -2.56 1.44 0.00 -1.71 0.00 0.00 66.02 63.04 1ad8 s SER 203 CO 0.07 -0.78 1.96 -0.81 1.20 0.00 0.00 173.24 174.88 1ad8 n PRO 204 N 5.54 0.46 -0.06 5.44 -0.04 -1.26 -0.91 135.00 144.17 1ad8 n PRO 204 Ca 0.14 0.02 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1ad8 n PRO 204 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1ad8 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ad8 h PHE 204 N 0.00 0.21 0.00 0.54 0.04 -1.97 -3.42 116.94 112.34 1ad8 h PHE 204 Ca 0.00 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.62 1ad8 h PHE 204 Cb 0.23 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1ad8 h PHE 204 CO 0.00 1.61 0.00 0.27 -0.60 0.00 0.00 178.31 179.59 1ad8 n ASN 204 N -4.05 1.40 -2.18 2.17 2.04 -1.25 -5.03 115.26 108.36 1ad8 n ASN 204 Ca -0.32 -1.52 -0.20 0.00 -0.44 0.00 0.00 54.58 52.10 1ad8 n ASN 204 Cb 0.83 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 38.05 1ad8 n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ad8 n ASN 205 N -0.26 -5.61 -4.90 0.53 3.02 -0.09 -5.00 115.26 102.95 1ad8 n ASN 205 Ca 0.00 0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.46 1ad8 n ASN 205 Cb 0.18 -4.76 -0.03 0.00 -0.61 0.00 0.00 39.78 34.56 1ad8 n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ad8 s ARG 206 N -4.68 3.23 -0.10 3.52 0.52 -1.25 -4.81 118.95 115.38 1ad8 s ARG 206 Ca 0.00 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.25 1ad8 s ARG 206 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 1ad8 s ARG 206 CO 0.00 0.45 0.36 -1.58 0.02 0.00 0.00 175.30 174.55 1ad8 s TRP 207 N -1.93 3.56 -0.01 -0.53 0.52 -1.26 -0.79 118.94 118.50 1ad8 s TRP 207 Ca 0.33 0.78 0.07 0.00 0.02 0.00 0.00 56.10 57.31 1ad8 s TRP 207 Cb -0.09 -2.35 -0.02 0.00 -1.15 0.00 0.00 33.47 29.86 1ad8 s TRP 207 CO 0.27 0.38 -0.22 0.71 0.02 0.00 0.00 176.95 178.11 1ad8 s TYR 208 N -0.06 1.94 -0.36 -1.98 1.51 -0.14 -2.06 117.35 116.20 1ad8 s TYR 208 Ca 0.21 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.69 1ad8 s TYR 208 Cb -0.15 -1.23 0.00 0.00 -0.11 0.00 0.00 41.96 40.47 1ad8 s TYR 208 CO 0.08 -0.01 0.66 -1.14 -1.11 0.00 0.00 175.55 174.04 1ad8 s GLN 209 N -0.62 3.69 -0.11 -0.62 0.74 0.30 -1.04 119.66 122.00 1ad8 s GLN 209 Ca 0.08 0.10 0.17 0.00 0.05 0.00 0.00 55.36 55.76 1ad8 s GLN 209 Cb -0.08 -3.81 -0.24 0.00 1.10 0.00 0.00 33.01 29.98 1ad8 s GLN 209 CO -0.00 -0.76 0.36 -1.33 -0.55 0.00 0.00 175.29 173.00 1ad8 n MET 210 N 6.12 0.66 -4.14 1.67 2.81 -0.04 -4.21 117.12 120.00 1ad8 n MET 210 Ca -0.00 0.08 -0.11 0.00 -1.81 0.00 0.00 57.70 55.85 1ad8 n MET 210 Cb 0.48 -1.62 -0.09 0.00 -0.71 0.00 0.00 33.22 31.28 1ad8 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ad8 s GLY 211 N -5.21 1.11 -0.08 3.03 0.00 -0.99 -1.74 107.32 103.44 1ad8 s GLY 211 Ca -0.08 -1.45 0.02 0.00 0.00 0.00 0.00 44.72 43.21 1ad8 s GLY 211 CO 0.83 -1.24 -0.14 -0.42 0.00 0.00 0.00 173.10 172.14 1ad8 s ILE 212 N -4.09 1.33 -0.09 0.90 1.01 -1.05 -1.16 121.20 118.05 1ad8 s ILE 212 Ca 0.31 -0.57 -0.33 0.00 0.00 0.00 0.00 60.65 60.06 1ad8 s ILE 212 Cb 0.06 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.21 1ad8 s ILE 212 CO 0.08 0.40 1.95 0.52 0.00 0.00 0.00 174.94 177.89 1ad8 n VAL 213 N 3.96 0.58 0.00 2.92 0.31 0.44 -1.24 118.33 125.30 1ad8 n VAL 213 Ca -0.21 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 63.96 1ad8 n VAL 213 Cb 0.52 -2.01 -0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1ad8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ad8 n SER 214 N 7.44 0.62 -3.82 4.52 2.88 -0.66 -0.91 113.62 123.69 1ad8 n SER 214 Ca 0.24 0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.79 1ad8 n SER 214 Cb 0.33 -0.30 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 1ad8 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ad8 s TRP 215 N -1.58 -0.12 0.17 0.66 1.48 -0.97 -4.88 118.94 113.70 1ad8 s TRP 215 Ca -0.04 -0.28 -0.24 0.00 -1.06 0.00 0.00 56.10 54.48 1ad8 s TRP 215 Cb 0.01 0.56 0.06 0.00 -1.16 0.00 0.00 33.47 32.93 1ad8 s TRP 215 CO 0.06 -1.11 0.88 0.20 -4.06 0.00 0.00 176.95 172.92 1ad8 s GLY 216 N -2.91 -0.24 -0.58 3.67 0.00 -1.26 -0.21 107.32 105.79 1ad8 s GLY 216 Ca 0.12 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.97 1ad8 s GLY 216 CO 0.04 0.02 0.35 -0.54 0.00 0.00 0.00 173.10 172.97 1ad8 s GLU 217 N -3.44 2.26 0.01 2.90 2.02 -1.26 -4.94 118.70 116.25 1ad8 s GLU 217 Ca 0.11 -2.63 0.00 0.00 0.02 0.00 0.00 54.97 52.47 1ad8 s GLU 217 Cb -0.02 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.70 1ad8 s GLU 217 CO 0.02 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.56 1ad8 n GLY 219 N 3.20 -3.58 3.67 -1.39 0.00 -1.26 -4.82 105.19 101.02 1ad8 n GLY 219 Ca 0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1ad8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ad8 n ASP 221 N 6.10 -3.73 -4.77 0.00 2.03 -1.26 -4.59 116.55 110.32 1ad8 n ASP 221 Ca 0.14 -0.69 -0.36 0.00 0.52 0.00 0.00 54.79 54.40 1ad8 n ASP 221 Cb 0.44 -4.95 -0.08 0.00 -0.72 0.00 0.00 41.12 35.81 1ad8 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ad8 s ARG 221 N -5.12 3.24 0.40 -0.67 0.52 -1.25 -5.00 118.95 111.08 1ad8 s ARG 221 Ca 0.19 -0.27 -0.27 0.00 -0.52 0.00 0.00 55.73 54.85 1ad8 s ARG 221 Cb -0.03 -3.00 -0.10 0.00 0.52 0.00 0.00 34.95 32.34 1ad8 s ARG 221 CO 0.75 0.72 1.48 -0.51 0.02 0.00 0.00 175.30 177.76 1ad8 s ASP 222 N -0.90 6.17 0.00 0.23 1.11 -1.26 -1.76 116.67 120.26 1ad8 s ASP 222 Ca 0.14 3.04 0.00 0.00 0.18 0.00 0.00 52.55 55.90 1ad8 s ASP 222 Cb -0.12 -2.67 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1ad8 s ASP 222 CO 0.03 -0.99 0.00 0.61 1.18 0.00 0.00 175.17 176.00 1ad8 n GLY 223 N 0.48 0.52 3.47 0.21 0.00 -1.26 -4.99 105.19 103.62 1ad8 n GLY 223 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1ad8 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ad8 s LYS 224 N -0.48 1.67 0.07 1.61 -0.14 -0.72 -4.75 119.74 117.00 1ad8 s LYS 224 Ca 0.00 -1.46 0.00 0.00 -1.36 0.00 0.00 55.97 53.15 1ad8 s LYS 224 Cb 0.00 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1ad8 s LYS 224 CO 0.00 0.41 -0.05 0.71 -0.76 0.00 0.00 175.35 175.66 1ad8 s TYR 225 N -1.71 0.69 0.27 3.18 1.51 -1.26 -4.69 117.35 115.34 1ad8 s TYR 225 Ca 0.22 -0.98 -0.15 0.00 -1.01 0.00 0.00 57.07 55.15 1ad8 s TYR 225 Cb -0.08 -0.45 -0.08 0.00 -0.11 0.00 0.00 41.96 41.24 1ad8 s TYR 225 CO 0.11 -0.26 0.68 0.20 -1.11 0.00 0.00 175.55 175.17 1ad8 s GLY 226 N -2.93 2.39 -0.04 0.71 0.00 -0.89 -4.52 107.32 102.04 1ad8 s GLY 226 Ca 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 44.72 44.83 1ad8 s GLY 226 CO -0.07 0.22 -0.14 -1.36 0.00 0.00 0.00 173.10 171.75 1ad8 s PHE 227 N -1.80 2.70 0.07 1.90 0.40 0.71 -1.30 117.98 120.66 1ad8 s PHE 227 Ca 0.49 -0.16 0.06 0.00 -0.60 0.00 0.00 56.93 56.72 1ad8 s PHE 227 Cb -0.12 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1ad8 s PHE 227 CO 0.19 0.20 -0.16 0.71 0.70 0.00 0.00 175.22 176.86 1ad8 s TYR 228 N -0.75 1.39 -0.03 0.36 1.51 0.42 -1.66 117.35 118.59 1ad8 s TYR 228 Ca 0.12 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.46 1ad8 s TYR 228 Cb -0.11 -0.79 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1ad8 s TYR 228 CO 0.01 0.09 1.31 0.99 -1.11 0.00 0.00 175.55 176.84 1ad8 s THR 229 N -1.11 3.96 -0.79 -0.71 2.01 -0.38 -1.75 115.64 116.87 1ad8 s THR 229 Ca 0.01 1.31 -0.25 0.00 0.31 0.00 0.00 61.69 63.07 1ad8 s THR 229 Cb -0.09 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 1ad8 s THR 229 CO 0.02 -0.01 1.69 -2.28 -0.69 0.00 0.00 174.62 173.36 1ad8 s HIS 230 N 2.35 1.99 0.20 4.92 2.46 0.53 -2.52 115.29 125.22 1ad8 s HIS 230 Ca 0.60 0.27 -0.10 0.00 0.47 0.00 0.00 55.06 56.30 1ad8 s HIS 230 Cb -0.28 -4.30 0.23 0.00 -0.13 0.00 0.00 32.58 28.10 1ad8 s HIS 230 CO 0.24 -2.03 1.77 0.28 -2.47 0.00 0.00 174.74 172.53 1ad8 h VAL 231 N 6.80 0.87 -0.83 0.89 2.07 -1.66 -2.55 116.25 121.85 1ad8 h VAL 231 Ca -0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1ad8 h VAL 231 Cb 1.07 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ad8 h VAL 231 CO 1.27 0.09 0.47 0.15 0.02 0.00 0.00 177.57 179.57 1ad8 h PHE 232 N 0.50 1.12 -0.03 1.57 3.57 -1.88 -2.00 116.94 119.79 1ad8 h PHE 232 Ca 0.28 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1ad8 h PHE 232 Cb 0.26 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 1ad8 h PHE 232 CO -0.12 0.77 0.04 0.00 -2.23 0.00 0.00 178.31 176.77 1ad8 h ARG 233 N 1.14 0.00 -0.36 1.11 2.47 -1.83 -1.45 114.38 115.46 1ad8 h ARG 233 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1ad8 h ARG 233 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1ad8 h ARG 233 CO -0.05 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.76 1ad8 n LEU 234 N -3.68 3.70 -0.01 3.04 4.77 -0.79 -4.67 117.00 119.36 1ad8 n LEU 234 Ca -0.02 -2.54 0.01 0.00 -0.03 0.00 0.00 56.01 53.43 1ad8 n LEU 234 Cb 0.13 -0.43 0.33 0.00 -2.33 0.00 0.00 43.42 41.12 1ad8 n LEU 234 CO 0.26 0.72 1.02 0.50 -1.33 0.00 0.00 177.39 178.56 1ad8 h LYS 235 N 2.29 0.55 -0.87 3.23 3.64 -0.81 -2.43 116.57 122.17 1ad8 h LYS 235 Ca 0.00 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1ad8 h LYS 235 Cb 1.19 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 1ad8 h LYS 235 CO 0.15 0.50 0.57 0.87 -2.27 0.00 0.00 179.45 179.26 1ad8 h LYS 236 N 0.54 1.09 -0.69 1.90 1.79 -1.83 -0.88 116.57 118.50 1ad8 h LYS 236 Ca 0.13 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 1ad8 h LYS 236 Cb 0.18 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.56 1ad8 h LYS 236 CO -0.01 0.72 0.17 2.35 -1.08 0.00 0.00 179.45 181.60 1ad8 h TRP 237 N 1.12 1.16 -0.05 -1.35 7.01 -1.80 -1.25 115.95 120.79 1ad8 h TRP 237 Ca 0.34 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1ad8 h TRP 237 Cb -0.04 -0.33 -0.00 0.00 -2.10 0.00 0.00 29.16 26.70 1ad8 h TRP 237 CO -0.02 0.94 0.02 0.82 -2.79 0.00 0.00 178.44 177.42 1ad8 h ILE 238 N 1.04 1.14 -0.36 2.65 2.04 -1.18 -1.15 117.51 121.69 1ad8 h ILE 238 Ca 0.22 -0.41 0.05 0.00 1.00 0.00 0.00 64.86 65.72 1ad8 h ILE 238 Cb 0.37 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1ad8 h ILE 238 CO 0.00 0.11 0.08 1.56 0.00 0.00 0.00 178.15 179.90 1ad8 h GLN 239 N -0.08 0.20 0.08 2.37 4.20 -1.08 -1.73 115.11 119.07 1ad8 h GLN 239 Ca 0.02 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1ad8 h GLN 239 Cb 0.16 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1ad8 h GLN 239 CO -0.00 0.13 -0.38 -0.22 -0.67 0.00 0.00 178.83 177.69 1ad8 h LYS 240 N 0.20 -0.52 -0.55 1.46 1.63 -1.02 0.50 116.57 118.27 1ad8 h LYS 240 Ca 0.17 0.04 0.12 0.00 -0.85 0.00 0.00 60.65 60.12 1ad8 h LYS 240 Cb 0.19 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 1ad8 h LYS 240 CO -0.22 -0.35 0.38 0.28 -3.45 0.00 0.00 179.45 176.09 1ad8 h VAL 241 N -0.54 0.83 0.00 2.00 2.07 -1.00 -0.15 116.25 119.46 1ad8 h VAL 241 Ca -0.00 -0.08 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 1ad8 h VAL 241 Cb 0.55 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1ad8 h VAL 241 CO -0.21 0.04 -0.98 0.40 0.02 0.00 0.00 177.57 176.84 1ad8 h ILE 242 N 0.23 1.04 0.11 4.57 2.04 -0.72 -3.33 117.51 121.44 1ad8 h ILE 242 Ca 0.26 -2.58 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 1ad8 h ILE 242 Cb 0.71 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1ad8 h ILE 242 CO -0.05 0.59 -0.05 0.44 0.00 0.00 0.00 178.15 179.08 1ad8 h ASP 243 N 0.00 -0.12 -1.75 1.72 3.32 0.18 -3.42 116.42 116.35 1ad8 h ASP 243 Ca -0.07 -0.18 -0.45 0.00 0.02 0.00 0.00 57.03 56.35 1ad8 h ASP 243 Cb 1.61 0.03 0.04 0.00 0.22 0.00 0.00 39.33 41.23 1ad8 h ASP 243 CO 0.08 0.11 -0.10 0.00 -1.72 0.00 0.00 179.24 177.61 1ad8 s GLN 244 N -5.31 2.46 0.00 3.56 -2.07 -0.76 -5.09 119.66 112.45 1ad8 s GLN 244 Ca -0.14 -1.16 0.00 0.00 -1.82 0.00 0.00 55.36 52.23 1ad8 s GLN 244 Cb 0.04 -2.59 0.00 0.00 -1.09 0.00 0.00 33.01 29.37 1ad8 s GLN 244 CO 0.64 -0.70 0.00 1.19 -1.32 0.00 0.00 175.29 175.10