#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9b n ALA 15 N 0.00 -0.39 0.04 2.12 0.00 -1.25 -4.16 120.51 116.87 2c9b n ALA 15 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 2c9b n ALA 15 Cb 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 19.45 19.35 2c9b n ALA 15 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2c9b h SER 16 N 0.00 0.45 0.00 0.00 4.64 -1.81 -3.09 113.55 113.74 2c9b h SER 16 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2c9b h SER 16 Cb 0.39 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2c9b h SER 16 CO 0.00 0.91 0.00 0.61 -0.87 0.00 0.00 176.83 177.48 2c9b n GLY 17 N 0.20 -0.94 3.73 -0.77 0.00 -1.26 -4.83 105.19 101.33 2c9b n GLY 17 Ca -0.03 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2c9b n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 18 N -2.00 4.93 -0.46 1.61 1.01 -1.17 -5.04 120.40 119.29 2c9b s VAL 18 Ca 0.39 1.45 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 2c9b s VAL 18 Cb 0.18 -4.04 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2c9b s VAL 18 CO 0.30 0.32 0.49 -0.13 0.00 0.00 0.00 175.10 176.08 2c9b s ARG 19 N 0.36 3.09 -0.11 2.72 0.52 -1.26 -4.99 118.95 119.28 2c9b s ARG 19 Ca 0.36 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 2c9b s ARG 19 Cb -0.19 -4.04 -0.03 0.00 0.52 0.00 0.00 34.95 31.22 2c9b s ARG 19 CO 0.19 -1.00 -0.06 -1.17 0.02 0.00 0.00 175.30 173.29 2c9b s LEU 20 N 2.22 3.20 0.04 2.53 2.96 -1.26 0.03 118.68 128.40 2c9b s LEU 20 Ca 0.12 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.02 2c9b s LEU 20 Cb -0.19 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 2c9b s LEU 20 CO 0.12 0.28 -0.18 0.00 -1.32 0.00 0.00 176.35 175.25 2c9b s ALA 21 N -0.31 1.53 -0.08 5.97 0.00 -0.27 -2.23 121.76 126.38 2c9b s ALA 21 Ca 0.05 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2c9b s ALA 21 Cb -0.13 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2c9b s ALA 21 CO 0.02 0.33 -0.11 0.42 0.00 0.00 0.00 175.76 176.43 2c9b s ILE 22 N -0.80 1.10 -0.16 0.00 1.01 0.25 -0.89 121.20 121.70 2c9b s ILE 22 Ca 0.05 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.31 2c9b s ILE 22 Cb -0.08 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.36 2c9b s ILE 22 CO 0.02 0.36 -0.21 0.54 0.00 0.00 0.00 174.94 175.65 2c9b s VAL 23 N 1.06 2.10 -0.05 2.92 0.11 -0.01 -0.93 120.40 125.59 2c9b s VAL 23 Ca -0.07 -0.95 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2c9b s VAL 23 Cb -0.15 -1.86 0.01 0.00 -1.53 0.00 0.00 36.38 32.86 2c9b s VAL 23 CO -0.01 0.54 -0.12 0.00 -3.33 0.00 0.00 175.10 172.18 2c9b s ALA 24 N 1.02 1.20 0.80 1.54 0.00 -0.81 -0.72 121.76 124.80 2c9b s ALA 24 Ca -0.02 -0.42 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 2c9b s ALA 24 Cb -0.14 -0.51 0.09 0.00 0.00 0.00 0.00 23.12 22.56 2c9b s ALA 24 CO -0.06 0.14 1.16 -1.54 0.00 0.00 0.00 175.76 175.46 2c9b s SER 25 N 0.49 4.44 -0.09 0.00 1.04 -0.63 -1.94 113.70 117.02 2c9b s SER 25 Ca -0.11 0.68 0.10 0.00 0.48 0.00 0.00 55.95 57.10 2c9b s SER 25 Cb -0.14 -1.16 -0.14 0.00 0.10 0.00 0.00 66.02 64.68 2c9b s SER 25 CO 0.03 -1.92 0.07 -1.20 0.98 0.00 0.00 173.24 171.19 2c9b n SER 26 N -3.29 2.31 -4.65 7.02 7.64 -0.30 -4.83 113.62 117.52 2c9b n SER 26 Ca 0.09 0.00 -0.56 0.00 1.01 0.00 0.00 58.87 59.41 2c9b n SER 26 Cb 0.61 0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 64.62 2c9b n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c9b n TRP 27 N -2.33 1.74 -2.80 1.43 -0.00 -0.68 -1.08 117.44 113.72 2c9b n TRP 27 Ca -0.16 0.64 -0.11 0.00 -0.00 0.00 0.00 57.50 57.87 2c9b n TRP 27 Cb 0.78 -2.37 0.05 0.00 -0.00 0.00 0.00 31.31 29.77 2c9b n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9b n HIS 28 N 3.91 -1.72 -0.33 5.87 8.25 -1.26 -4.53 115.22 125.41 2c9b n HIS 28 Ca 0.23 0.62 0.01 0.00 -0.26 0.00 0.00 57.72 58.32 2c9b n HIS 28 Cb 0.14 -3.76 0.08 0.00 1.12 0.00 0.00 29.99 27.57 2c9b n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9b h GLY 29 N -0.88 0.34 0.92 -1.41 0.00 -1.47 -2.81 103.07 97.76 2c9b h GLY 29 Ca -0.43 0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.31 2c9b h GLY 29 CO 0.32 -0.28 0.25 1.70 0.00 0.00 0.00 176.54 178.53 2c9b h LYS 30 N -0.02 0.48 -0.01 4.80 3.64 -1.93 -1.90 116.57 121.64 2c9b h LYS 30 Ca 0.38 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2c9b h LYS 30 Cb 0.62 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2c9b h LYS 30 CO -0.92 0.32 -0.35 0.82 -2.27 0.00 0.00 179.45 177.05 2c9b h ILE 31 N 0.50 1.26 -0.09 2.00 2.04 -1.88 -2.87 117.51 118.45 2c9b h ILE 31 Ca 0.16 -1.22 -0.16 0.00 1.00 0.00 0.00 64.86 64.64 2c9b h ILE 31 Cb -0.00 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2c9b h ILE 31 CO -0.07 0.35 -0.64 0.00 0.00 0.00 0.00 178.15 177.79 2c9b h ASP 33 N 0.26 0.42 -0.02 0.00 3.32 -1.15 -1.41 116.42 117.84 2c9b h ASP 33 Ca -0.01 -0.13 -0.20 0.00 0.02 0.00 0.00 57.03 56.71 2c9b h ASP 33 Cb 1.18 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2c9b h ASP 33 CO 0.11 0.66 -0.70 0.00 -1.72 0.00 0.00 179.24 177.59 2c9b h ALA 34 N 1.38 0.47 -0.62 3.45 0.00 -1.50 -1.84 119.26 120.60 2c9b h ALA 34 Ca 0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2c9b h ALA 34 Cb 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2c9b h ALA 34 CO 0.04 0.71 0.07 -0.07 0.00 0.00 0.00 179.25 180.00 2c9b h LEU 35 N 0.46 1.00 -0.78 0.00 3.38 -1.30 -1.30 115.31 116.79 2c9b h LEU 35 Ca -0.03 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 2c9b h LEU 35 Cb 1.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2c9b h LEU 35 CO 0.14 1.02 -0.37 0.25 0.09 0.00 0.00 178.44 179.56 2c9b h LEU 36 N 0.97 0.50 -0.45 1.67 5.85 -1.27 -2.71 115.31 119.87 2c9b h LEU 36 Ca 0.19 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 2c9b h LEU 36 Cb 0.47 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2c9b h LEU 36 CO 0.02 0.83 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.98 2c9b h ASP 37 N 0.40 0.94 -0.34 1.25 -0.00 -1.01 -0.69 116.42 116.96 2c9b h ASP 37 Ca 0.04 -0.39 -0.07 0.00 -0.00 0.00 0.00 57.03 56.60 2c9b h ASP 37 Cb 0.84 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.89 2c9b h ASP 37 CO 0.07 1.12 -0.04 1.23 -0.00 0.00 0.00 179.24 181.63 2c9b h GLY 38 N 0.76 0.79 0.70 -0.78 0.00 -1.25 -2.33 103.07 100.96 2c9b h GLY 38 Ca 0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2c9b h GLY 38 CO 0.06 0.50 -0.09 0.00 0.00 0.00 0.00 176.54 177.01 2c9b h ALA 39 N 1.28 0.17 -0.70 3.60 0.00 -1.33 -3.08 119.26 119.20 2c9b h ALA 39 Ca 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2c9b h ALA 39 Cb 0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2c9b h ALA 39 CO 0.02 -0.01 0.42 0.00 0.00 0.00 0.00 179.25 179.68 2c9b h ARG 40 N -0.11 0.94 -0.24 0.00 3.08 -1.08 -2.58 114.38 114.38 2c9b h ARG 40 Ca 0.02 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2c9b h ARG 40 Cb 0.59 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2c9b h ARG 40 CO 0.02 0.66 -0.40 0.87 -1.07 0.00 0.00 179.97 180.05 2c9b h LYS 41 N 0.96 0.57 -0.29 0.04 1.57 -1.46 -2.60 116.57 115.36 2c9b h LYS 41 Ca 0.25 -0.29 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2c9b h LYS 41 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2c9b h LYS 41 CO -0.05 0.87 -0.38 0.28 -0.57 0.00 0.00 179.45 179.61 2c9b h VAL 42 N 0.47 1.29 -0.28 0.50 2.07 -1.41 -2.62 116.25 116.27 2c9b h VAL 42 Ca 0.04 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2c9b h VAL 42 Cb 0.90 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2c9b h VAL 42 CO 0.08 0.49 0.18 0.00 0.02 0.00 0.00 177.57 178.34 2c9b h ALA 43 N 1.04 0.36 -0.40 1.67 0.00 -1.34 -2.67 119.26 117.91 2c9b h ALA 43 Ca 0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2c9b h ALA 43 Cb 0.90 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2c9b h ALA 43 CO 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 179.25 179.19 2c9b h ALA 44 N 1.08 1.26 0.00 0.00 0.00 -1.39 -0.82 119.26 119.39 2c9b h ALA 44 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2c9b h ALA 44 Cb -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2c9b h ALA 44 CO -0.02 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.14 2c9b n GLY 45 N -0.79 -1.39 1.03 0.00 0.00 -1.00 -2.92 105.19 100.12 2c9b n GLY 45 Ca 0.02 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.16 2c9b n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c9b n GLY 47 N -0.24 0.38 2.85 0.00 0.00 -1.11 -3.92 105.19 103.15 2c9b n GLY 47 Ca 0.22 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2c9b n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 48 N -0.72 3.56 0.16 0.99 1.02 -0.40 -4.58 118.68 118.71 2c9b s LEU 48 Ca 0.01 -2.61 -0.09 0.00 0.02 0.00 0.00 54.13 51.46 2c9b s LEU 48 Cb -0.00 -1.33 0.01 0.00 0.02 0.00 0.00 46.19 44.88 2c9b s LEU 48 CO 0.01 -0.28 1.51 0.44 0.02 0.00 0.00 176.35 178.05 2c9b h ASP 49 N 6.91 0.97 -2.88 2.29 3.45 -1.89 -3.25 116.42 122.01 2c9b h ASP 49 Ca -0.05 -0.42 -0.59 0.00 0.43 0.00 0.00 57.03 56.40 2c9b h ASP 49 Cb 0.94 -0.27 -0.39 0.00 -0.56 0.00 0.00 39.33 39.04 2c9b h ASP 49 CO 0.57 1.20 -0.82 -0.62 -1.57 0.00 0.00 179.24 178.00 2c9b s ASP 50 N -6.81 3.04 0.55 6.45 2.15 -1.26 -4.95 116.67 115.84 2c9b s ASP 50 Ca -0.11 -2.52 -0.12 0.00 0.43 0.00 0.00 52.55 50.24 2c9b s ASP 50 Cb 0.12 -0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 42.02 2c9b s ASP 50 CO 0.87 -0.27 0.95 -2.16 -0.17 0.00 0.00 175.17 174.39 2c9b s PRO 51 N 0.60 3.70 -0.23 4.34 0.04 -1.26 -5.00 135.00 137.20 2c9b s PRO 51 Ca 0.20 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 2c9b s PRO 51 Cb -0.19 -2.18 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2c9b s PRO 51 CO -0.03 -0.37 1.41 0.99 0.04 0.00 0.00 177.00 179.04 2c9b s THR 52 N -2.87 4.01 -0.19 1.26 2.01 -0.95 -4.91 115.64 114.01 2c9b s THR 52 Ca 0.54 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 2c9b s THR 52 Cb -0.11 -3.94 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2c9b s THR 52 CO 0.44 -0.31 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.27 2c9b s VAL 53 N 4.37 3.08 -0.03 3.82 1.01 -1.26 0.84 120.40 132.23 2c9b s VAL 53 Ca 0.61 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2c9b s VAL 53 Cb -0.21 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.81 2c9b s VAL 53 CO 0.23 0.47 -0.14 -0.69 0.00 0.00 0.00 175.10 174.97 2c9b s VAL 54 N 1.09 1.18 -0.10 2.92 1.01 -0.11 -5.00 120.40 121.40 2c9b s VAL 54 Ca 0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2c9b s VAL 54 Cb -0.15 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2c9b s VAL 54 CO -0.02 0.34 -0.05 -0.13 0.00 0.00 0.00 175.10 175.25 2c9b s ARG 55 N -0.03 3.06 0.44 2.72 1.81 -1.26 -1.93 118.95 123.76 2c9b s ARG 55 Ca -0.01 -0.51 0.04 0.00 -1.72 0.00 0.00 55.73 53.53 2c9b s ARG 55 Cb -0.09 -2.72 -0.05 0.00 -0.45 0.00 0.00 34.95 31.64 2c9b s ARG 55 CO 0.01 0.55 0.02 0.14 -0.68 0.00 0.00 175.30 175.34 2c9b s VAL 56 N -0.49 1.56 -0.17 3.52 -7.23 -0.82 -4.97 120.40 111.80 2c9b s VAL 56 Ca 0.08 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.04 2c9b s VAL 56 Cb -0.12 -2.64 -0.18 0.00 0.56 0.00 0.00 36.38 34.00 2c9b s VAL 56 CO 0.02 0.00 0.33 0.25 -0.31 0.00 0.00 175.10 175.39 2c9b h LEU 57 N 1.64 0.00 -9.31 1.32 5.85 -1.92 -0.77 115.31 112.12 2c9b h LEU 57 Ca -0.43 -0.57 -0.55 0.00 0.84 0.00 0.00 57.88 57.17 2c9b h LEU 57 Cb 1.27 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.16 2c9b h LEU 57 CO 0.77 1.16 -0.66 -0.83 -0.34 0.00 0.00 178.44 178.53 2c9b s GLY 58 N -4.46 2.06 0.52 3.75 0.00 -1.26 -1.68 107.32 106.24 2c9b s GLY 58 Ca -0.21 -2.03 0.31 0.00 0.00 0.00 0.00 44.72 42.78 2c9b s GLY 58 CO 0.53 -1.94 1.91 0.00 0.00 0.00 0.00 173.10 173.60 2c9b h ALA 59 N 2.12 1.00 0.00 3.20 0.00 -1.94 -2.69 119.26 120.95 2c9b h ALA 59 Ca -0.41 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2c9b h ALA 59 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2c9b h ALA 59 CO 0.70 0.04 -0.29 0.82 0.00 0.00 0.00 179.25 180.52 2c9b h ILE 60 N 0.00 0.83 -0.00 0.00 1.08 -1.97 -3.04 117.51 114.41 2c9b h ILE 60 Ca -0.00 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 2c9b h ILE 60 Cb 0.62 1.73 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2c9b h ILE 60 CO 0.00 0.29 -0.14 -0.62 -0.69 0.00 0.00 178.15 176.99 2c9b n GLU 61 N -3.64 0.73 0.15 2.37 4.71 -1.01 -4.36 120.64 119.60 2c9b n GLU 61 Ca -0.01 -0.30 -0.13 0.00 -0.01 0.00 0.00 57.16 56.71 2c9b n GLU 61 Cb 0.42 -1.49 -0.08 0.00 -1.01 0.00 0.00 31.44 29.27 2c9b n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9b h ILE 62 N 0.74 0.73 -0.60 -3.67 2.04 -1.62 -3.30 117.51 111.82 2c9b h ILE 62 Ca 0.00 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.38 2c9b h ILE 62 Cb 0.39 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 2c9b h ILE 62 CO 0.00 0.11 0.22 -0.65 0.00 0.00 0.00 178.15 177.83 2c9b h PRO 63 N -0.71 0.39 0.00 2.37 0.11 -1.79 -0.77 132.00 131.59 2c9b h PRO 63 Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2c9b h PRO 63 Cb 0.48 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 2c9b h PRO 63 CO 0.07 0.26 -0.08 -0.24 -0.21 0.00 0.00 178.00 177.79 2c9b h VAL 64 N 0.40 0.62 0.13 3.15 3.04 -1.85 -0.28 116.25 121.46 2c9b h VAL 64 Ca 0.31 -0.34 -0.32 0.00 -1.01 0.00 0.00 66.70 65.33 2c9b h VAL 64 Cb 0.38 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.87 2c9b h VAL 64 CO -0.31 0.08 -1.61 0.58 -1.01 0.00 0.00 177.57 175.31 2c9b h VAL 65 N 0.00 1.07 0.00 1.51 2.07 -1.28 -3.28 116.25 116.34 2c9b h VAL 65 Ca -0.00 -2.71 -0.05 0.00 0.82 0.00 0.00 66.70 64.76 2c9b h VAL 65 Cb 0.21 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2c9b h VAL 65 CO 0.01 0.82 -0.23 0.00 0.02 0.00 0.00 177.57 178.18 2c9b h ALA 66 N 0.41 1.27 -0.59 1.67 0.00 -0.65 -1.71 119.26 119.67 2c9b h ALA 66 Ca -0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2c9b h ALA 66 Cb 2.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 2c9b h ALA 66 CO 0.16 0.29 0.02 0.37 0.00 0.00 0.00 179.25 180.09 2c9b h GLN 67 N 0.00 1.01 -0.03 0.00 4.15 -1.15 -2.29 115.11 116.79 2c9b h GLN 67 Ca -0.00 -0.30 -0.23 0.00 0.77 0.00 0.00 58.65 58.89 2c9b h GLN 67 Cb 0.53 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.13 2c9b h GLN 67 CO 0.03 0.98 -0.92 1.49 -1.93 0.00 0.00 178.83 178.48 2c9b h GLU 68 N 0.93 0.55 0.00 1.69 4.57 -1.53 -3.29 114.58 117.49 2c9b h GLU 68 Ca 0.17 -0.55 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2c9b h GLU 68 Cb 0.52 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2c9b h GLU 68 CO 0.03 1.17 0.00 -0.07 -1.18 0.00 0.00 179.01 178.96 2c9b h LEU 69 N 0.33 0.00 -0.02 1.64 3.38 -1.25 -3.04 115.31 116.35 2c9b h LEU 69 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2c9b h LEU 69 Cb 1.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2c9b h LEU 69 CO 0.17 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.70 2c9b n ALA 70 N -1.92 2.27 0.23 1.53 0.00 -0.87 -3.32 120.51 118.42 2c9b n ALA 70 Ca 0.03 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.52 2c9b n ALA 70 Cb 0.34 -1.46 0.35 0.00 0.00 0.00 0.00 19.45 18.68 2c9b n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c9b h ARG 71 N 0.00 0.00 -0.47 0.00 3.08 -1.70 -3.32 114.38 111.97 2c9b h ARG 71 Ca 0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 2c9b h ARG 71 Cb 0.58 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.25 2c9b h ARG 71 CO 0.00 0.09 -1.05 0.27 -1.07 0.00 0.00 179.97 178.22 2c9b n ASN 72 N -3.16 1.23 -3.99 7.04 2.04 -1.24 -5.11 115.26 112.08 2c9b n ASN 72 Ca 0.02 -2.14 -0.09 0.00 -0.44 0.00 0.00 54.58 51.93 2c9b n ASN 72 Cb 0.47 -0.36 -0.10 0.00 -2.53 0.00 0.00 39.78 37.26 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 2c9b s HIS 73 N -3.31 0.31 -0.18 -2.53 3.76 -1.21 -4.99 115.29 107.13 2c9b s HIS 73 Ca 0.25 -0.65 0.19 0.00 -0.15 0.00 0.00 55.06 54.70 2c9b s HIS 73 Cb 0.35 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.78 2c9b s HIS 73 CO -0.04 -0.29 1.01 -0.44 -0.85 0.00 0.00 174.74 174.13 2c9b h ASP 74 N 3.99 0.00 -3.84 1.40 3.32 -0.74 -3.46 116.42 117.10 2c9b h ASP 74 Ca -0.33 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.62 2c9b h ASP 74 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 2c9b h ASP 74 CO 0.50 0.33 -0.15 0.00 -1.72 0.00 0.00 179.24 178.20 2c9b s ALA 75 N -3.10 -1.20 -0.06 3.45 0.00 -0.96 -4.27 121.76 115.62 2c9b s ALA 75 Ca -0.01 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.41 2c9b s ALA 75 Cb 0.09 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2c9b s ALA 75 CO 0.79 -0.24 -0.22 0.08 0.00 0.00 0.00 175.76 176.17 2c9b s VAL 76 N 0.37 1.85 -0.25 0.00 1.01 -0.81 -1.11 120.40 121.47 2c9b s VAL 76 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 2c9b s VAL 76 Cb -0.04 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 2c9b s VAL 76 CO -0.01 0.52 0.00 -0.69 0.00 0.00 0.00 175.10 174.92 2c9b s VAL 77 N -0.05 3.60 -0.20 2.92 1.01 -0.07 -0.88 120.40 126.74 2c9b s VAL 77 Ca -0.05 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 2c9b s VAL 77 Cb -0.13 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 2c9b s VAL 77 CO 0.04 0.29 0.26 0.00 0.00 0.00 0.00 175.10 175.69 2c9b s ALA 78 N 1.48 3.60 -0.01 5.51 0.00 -0.47 -0.83 121.76 131.04 2c9b s ALA 78 Ca 0.04 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2c9b s ALA 78 Cb -0.15 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 2c9b s ALA 78 CO -0.01 -0.06 -0.16 -0.51 0.00 0.00 0.00 175.76 175.01 2c9b s LEU 79 N 0.81 2.02 -0.08 0.00 1.43 0.10 -0.22 118.68 122.74 2c9b s LEU 79 Ca 0.14 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.63 2c9b s LEU 79 Cb -0.13 -0.85 0.11 0.00 0.03 0.00 0.00 46.19 45.35 2c9b s LEU 79 CO 0.04 0.20 1.37 -0.83 0.23 0.00 0.00 176.35 177.36 2c9b s GLY 80 N -0.35 -0.29 -0.06 -3.19 0.00 -1.13 -1.60 107.32 100.70 2c9b s GLY 80 Ca 0.06 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 2c9b s GLY 80 CO -0.00 4.71 -0.00 0.14 0.00 0.00 0.00 173.10 177.94 2c9b s VAL 81 N -2.03 0.33 -0.17 1.40 1.01 -1.26 -0.55 120.40 119.13 2c9b s VAL 81 Ca 0.27 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.35 2c9b s VAL 81 Cb 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 35.96 2c9b s VAL 81 CO -0.04 0.23 -0.17 -0.69 0.00 0.00 0.00 175.10 174.43 2c9b s VAL 82 N 1.64 1.82 -0.03 2.92 1.01 0.12 -4.83 120.40 123.04 2c9b s VAL 82 Ca -0.00 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.19 2c9b s VAL 82 Cb -0.13 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2c9b s VAL 82 CO -0.03 0.47 -0.13 -0.63 0.00 0.00 0.00 175.10 174.78 2c9b s ILE 83 N 1.38 3.14 0.19 2.22 1.01 -1.26 -2.51 121.20 125.36 2c9b s ILE 83 Ca 0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 2c9b s ILE 83 Cb -0.13 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.99 2c9b s ILE 83 CO -0.12 0.54 1.26 -0.60 0.00 0.00 0.00 174.94 176.02 2c9b s ARG 84 N -0.91 4.43 0.00 2.79 3.52 -1.04 -4.89 118.95 122.85 2c9b s ARG 84 Ca 0.13 1.97 0.00 0.00 -0.13 0.00 0.00 55.73 57.70 2c9b s ARG 84 Cb -0.11 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2c9b s ARG 84 CO 0.02 -0.19 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 2c9b n GLY 85 N 2.35 2.20 0.00 8.12 0.00 -1.26 -4.87 105.19 111.73 2c9b n GLY 85 Ca 0.06 -1.00 0.06 0.00 0.00 0.00 0.00 46.02 45.14 2c9b n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c9b n GLN 86 N 0.00 2.39 -4.31 1.61 6.02 -1.26 -5.01 117.38 116.82 2c9b n GLN 86 Ca 0.00 -0.01 -0.24 0.00 -0.01 0.00 0.00 57.00 56.74 2c9b n GLN 86 Cb 0.00 -1.15 -0.08 0.00 1.02 0.00 0.00 30.24 30.03 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2c9b s THR 87 N -2.33 2.78 -1.88 5.09 -4.23 -1.26 -5.01 115.64 108.80 2c9b s THR 87 Ca 0.04 -1.96 0.07 0.00 -1.18 0.00 0.00 61.69 58.66 2c9b s THR 87 Cb 0.10 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 71.32 2c9b s THR 87 CO 0.55 -0.23 0.90 -2.65 -0.54 0.00 0.00 174.62 172.65 2c9b n PRO 88 N -0.95 0.18 -0.30 3.99 -0.02 -1.26 -3.69 135.00 132.96 2c9b n PRO 88 Ca -0.04 0.05 0.27 0.00 -2.02 0.00 0.00 63.50 61.76 2c9b n PRO 88 Cb 0.62 -1.50 0.62 0.00 -0.02 0.00 0.00 33.50 33.21 2c9b n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c9b h HIS 89 N 0.00 0.35 -0.27 6.00 2.76 -1.99 -0.73 115.15 121.27 2c9b h HIS 89 Ca 0.00 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 2c9b h HIS 89 Cb 0.01 -0.10 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 2c9b h HIS 89 CO 0.00 0.04 -0.15 0.35 -1.30 0.00 0.00 177.93 176.86 2c9b h PHE 90 N 0.21 -0.38 -0.87 5.26 3.57 -1.91 -2.75 116.94 120.08 2c9b h PHE 90 Ca 0.55 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.17 2c9b h PHE 90 Cb 1.75 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 40.63 2c9b h PHE 90 CO -0.00 -0.22 0.52 -0.44 -2.23 0.00 0.00 178.31 175.93 2c9b h ASP 91 N -0.12 0.78 1.32 0.41 3.32 -1.44 -2.73 116.42 117.96 2c9b h ASP 91 Ca 0.15 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2c9b h ASP 91 Cb 0.34 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2c9b h ASP 91 CO -0.35 0.47 -0.70 1.88 -1.72 0.00 0.00 179.24 178.81 2c9b h TYR 92 N 0.90 0.00 -0.26 4.55 0.05 -1.61 -1.89 116.97 118.70 2c9b h TYR 92 Ca 0.40 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.09 2c9b h TYR 92 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2c9b h TYR 92 CO -0.04 0.44 -0.20 0.28 -1.05 0.00 0.00 178.16 177.59 2c9b h VAL 93 N 0.00 1.31 -0.17 -2.88 2.07 -1.26 -3.03 116.25 112.29 2c9b h VAL 93 Ca -0.04 -1.34 -0.17 0.00 0.82 0.00 0.00 66.70 65.96 2c9b h VAL 93 Cb 1.37 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2c9b h VAL 93 CO 0.05 0.42 -0.61 0.00 0.02 0.00 0.00 177.57 177.45 2c9b h ASP 95 N 0.42 0.85 -0.74 0.00 3.32 -1.40 -1.88 116.42 116.99 2c9b h ASP 95 Ca -0.01 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2c9b h ASP 95 Cb 1.18 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.49 2c9b h ASP 95 CO 0.12 0.61 0.29 0.00 -1.72 0.00 0.00 179.24 178.54 2c9b h ALA 96 N 1.29 0.96 -0.22 3.45 0.00 -1.55 -2.15 119.26 121.03 2c9b h ALA 96 Ca 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2c9b h ALA 96 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2c9b h ALA 96 CO -0.07 0.59 0.14 0.28 0.00 0.00 0.00 179.25 180.18 2c9b h VAL 97 N 1.06 1.08 0.24 0.00 2.07 -1.42 0.06 116.25 119.35 2c9b h VAL 97 Ca 0.25 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2c9b h VAL 97 Cb 0.22 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2c9b h VAL 97 CO -0.02 0.08 -0.32 0.74 0.02 0.00 0.00 177.57 178.07 2c9b h THR 98 N 0.28 0.00 -0.71 2.57 2.02 -1.19 -1.38 112.91 114.49 2c9b h THR 98 Ca 0.08 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.34 2c9b h THR 98 Cb 0.01 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.35 2c9b h THR 98 CO -0.02 0.00 0.38 1.56 0.37 0.00 0.00 175.52 177.81 2c9b h GLN 99 N -0.58 0.64 -0.02 6.66 4.20 -1.38 -2.68 115.11 121.94 2c9b h GLN 99 Ca -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2c9b h GLN 99 Cb 0.52 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2c9b h GLN 99 CO -0.08 0.42 0.00 0.78 -0.67 0.00 0.00 178.83 179.28 2c9b h GLY 100 N 0.65 0.04 1.16 3.46 0.00 -0.90 -2.60 103.07 104.89 2c9b h GLY 100 Ca 0.34 -0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.50 2c9b h GLY 100 CO -0.24 0.02 -0.30 1.41 0.00 0.00 0.00 176.54 177.43 2c9b h LEU 101 N -0.21 0.98 -0.55 3.11 3.38 -1.17 -2.53 115.31 118.32 2c9b h LEU 101 Ca 0.01 -0.41 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2c9b h LEU 101 Cb 0.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2c9b h LEU 101 CO 0.00 1.20 -0.26 0.74 0.09 0.00 0.00 178.44 180.21 2c9b h THR 102 N 0.79 1.27 -0.43 0.22 2.02 -1.56 -2.64 112.91 112.58 2c9b h THR 102 Ca 0.08 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 2c9b h THR 102 Cb 0.88 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2c9b h THR 102 CO 0.08 0.48 0.12 -0.09 0.37 0.00 0.00 175.52 176.48 2c9b h ARG 103 N 0.77 0.67 -0.60 6.66 2.43 -1.38 -2.96 114.38 119.96 2c9b h ARG 103 Ca 0.09 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2c9b h ARG 103 Cb 0.81 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 2c9b h ARG 103 CO 0.07 0.67 0.36 0.28 -1.51 0.00 0.00 179.97 179.83 2c9b h VAL 104 N 0.55 1.04 -0.77 0.20 2.07 -1.42 -1.57 116.25 116.36 2c9b h VAL 104 Ca 0.14 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2c9b h VAL 104 Cb 0.28 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2c9b h VAL 104 CO -0.00 0.13 0.42 0.77 0.02 0.00 0.00 177.57 178.90 2c9b h SER 105 N 0.69 0.95 0.54 0.57 4.64 -1.33 -2.60 113.55 117.01 2c9b h SER 105 Ca 0.25 -0.08 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 2c9b h SER 105 Cb 0.06 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.90 2c9b h SER 105 CO -0.12 0.76 -1.47 -0.07 -0.87 0.00 0.00 176.83 175.06 2c9b h LEU 106 N 1.07 0.27 -1.54 5.97 3.38 -1.38 -1.71 115.31 121.37 2c9b h LEU 106 Ca 0.27 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2c9b h LEU 106 Cb 0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2c9b h LEU 106 CO -0.04 1.32 0.28 0.44 0.09 0.00 0.00 178.44 180.53 2c9b h ASP 107 N 0.05 0.52 -0.04 -0.43 3.45 -1.20 -3.22 116.42 115.55 2c9b h ASP 107 Ca -0.21 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.23 2c9b h ASP 107 Cb 1.98 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 40.62 2c9b h ASP 107 CO 0.14 0.39 0.00 -1.54 -1.57 0.00 0.00 179.24 176.66 2c9b n SER 108 N -4.46 1.64 -3.99 6.45 3.41 -0.99 -5.00 113.62 110.68 2c9b n SER 108 Ca 0.04 -1.42 -0.28 0.00 -0.26 0.00 0.00 58.87 56.94 2c9b n SER 108 Cb 0.07 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 2c9b n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9b n SER 109 N 0.11 -1.86 -4.01 4.04 7.64 -0.71 -4.98 113.62 113.86 2c9b n SER 109 Ca 0.03 -0.95 -0.23 0.00 1.01 0.00 0.00 58.87 58.72 2c9b n SER 109 Cb 0.17 -3.21 -0.16 0.00 -1.01 0.00 0.00 64.21 59.99 2c9b n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9b s THR 110 N -3.66 1.01 -0.09 0.44 2.01 -0.81 -5.05 115.64 109.50 2c9b s THR 110 Ca 0.29 -0.42 -0.29 0.00 0.31 0.00 0.00 61.69 61.58 2c9b s THR 110 Cb -0.16 -0.93 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 2c9b s THR 110 CO 0.88 0.32 2.09 -2.84 -0.69 0.00 0.00 174.62 174.38 2c9b s PRO 111 N 0.60 3.64 -0.33 4.92 0.02 -1.26 -4.34 135.00 138.24 2c9b s PRO 111 Ca -0.12 2.31 -0.08 0.00 0.02 0.00 0.00 61.00 63.13 2c9b s PRO 111 Cb -0.14 -4.26 0.03 0.00 0.02 0.00 0.00 34.50 30.14 2c9b s PRO 111 CO 0.03 -1.52 0.13 0.42 -0.33 0.00 0.00 177.00 175.72 2c9b s ILE 112 N 6.35 4.08 0.07 2.83 -1.09 -1.26 -1.92 121.20 130.26 2c9b s ILE 112 Ca 0.94 -0.90 -0.24 0.00 -2.23 0.00 0.00 60.65 58.22 2c9b s ILE 112 Cb -0.38 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.21 2c9b s ILE 112 CO 0.38 -0.11 0.74 0.00 -1.23 0.00 0.00 174.94 174.73 2c9b s ALA 113 N 1.48 3.41 -0.48 9.38 0.00 -0.06 -4.97 121.76 130.52 2c9b s ALA 113 Ca 0.01 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.06 2c9b s ALA 113 Cb -0.19 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.05 2c9b s ALA 113 CO 0.04 0.14 0.49 1.21 0.00 0.00 0.00 175.76 177.64 2c9b s ASN 114 N -0.37 6.18 -0.34 0.00 3.04 -1.26 -1.37 114.94 120.83 2c9b s ASN 114 Ca 0.37 -1.13 0.06 0.00 0.04 0.00 0.00 52.86 52.20 2c9b s ASN 114 Cb -0.21 -2.23 0.46 0.00 -1.54 0.00 0.00 41.25 37.73 2c9b s ASN 114 CO 0.23 -0.74 1.31 0.61 -3.04 0.00 0.00 177.10 175.47 2c9b n GLY 115 N 5.19 6.22 3.58 1.21 0.00 0.70 -4.89 105.19 117.19 2c9b n GLY 115 Ca -0.10 -2.49 -0.38 0.00 0.00 0.00 0.00 46.02 43.05 2c9b n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 116 N -4.51 5.25 0.11 1.61 1.01 -1.25 -2.86 120.40 119.77 2c9b s VAL 116 Ca 0.52 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.35 2c9b s VAL 116 Cb 0.42 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 2c9b s VAL 116 CO 0.03 0.26 1.02 -0.76 0.00 0.00 0.00 175.10 175.65 2c9b s LEU 117 N 1.73 4.47 -0.54 3.92 1.43 0.28 -4.91 118.68 125.06 2c9b s LEU 117 Ca 0.07 1.89 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2c9b s LEU 117 Cb -0.16 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.63 2c9b s LEU 117 CO 0.10 -0.17 0.36 0.42 0.23 0.00 0.00 176.35 177.30 2c9b s THR 118 N 0.13 1.86 0.19 5.49 -4.23 -1.26 0.16 115.64 117.98 2c9b s THR 118 Ca 0.49 -3.32 0.09 0.00 -1.18 0.00 0.00 61.69 57.77 2c9b s THR 118 Cb -0.25 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.28 2c9b s THR 118 CO 0.31 -1.00 -0.08 0.42 -0.54 0.00 0.00 174.62 173.73 2c9b s THR 119 N -0.47 3.25 0.01 3.99 -4.23 -1.04 -5.05 115.64 112.09 2c9b s THR 119 Ca 0.24 -1.67 -0.23 0.00 -1.18 0.00 0.00 61.69 58.85 2c9b s THR 119 Cb -0.11 -2.62 -0.17 0.00 1.34 0.00 0.00 72.50 70.94 2c9b s THR 119 CO -0.11 -0.13 1.31 0.78 -0.54 0.00 0.00 174.62 175.93 2c9b h ASN 120 N 2.81 0.17 -1.95 3.99 2.35 -1.94 -2.75 115.58 118.26 2c9b h ASN 120 Ca -0.46 -0.47 -0.59 0.00 -0.55 0.00 0.00 56.30 54.23 2c9b h ASN 120 Cb 1.21 -0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.42 2c9b h ASN 120 CO 0.55 0.60 -0.63 0.42 -1.65 0.00 0.00 177.43 176.72 2c9b s THR 121 N -4.33 2.61 -0.10 2.81 -4.23 -1.26 -3.66 115.64 107.48 2c9b s THR 121 Ca -0.15 -2.02 0.30 0.00 -1.18 0.00 0.00 61.69 58.65 2c9b s THR 121 Cb 0.03 -2.76 0.35 0.00 1.34 0.00 0.00 72.50 71.46 2c9b s THR 121 CO 0.71 -0.22 1.89 -0.08 -0.54 0.00 0.00 174.62 176.38 2c9b h GLU 122 N 1.86 0.00 -0.05 3.99 4.81 -1.95 -3.06 114.58 120.18 2c9b h GLU 122 Ca -0.43 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.60 2c9b h GLU 122 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2c9b h GLU 122 CO 0.67 0.00 -0.84 1.49 -0.73 0.00 0.00 179.01 179.60 2c9b h GLU 123 N 0.00 0.44 0.00 1.92 4.22 -2.00 -2.98 114.58 116.19 2c9b h GLU 123 Ca 0.00 -0.41 -0.18 0.00 0.08 0.00 0.00 59.36 58.84 2c9b h GLU 123 Cb 0.50 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2c9b h GLU 123 CO 0.00 1.06 -0.87 1.96 -2.18 0.00 0.00 179.01 178.98 2c9b h GLN 124 N 0.28 0.03 -0.45 1.92 4.20 -1.96 -3.21 115.11 115.92 2c9b h GLN 124 Ca -0.06 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.48 2c9b h GLN 124 Cb 1.45 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 2c9b h GLN 124 CO 0.15 0.88 -0.27 0.00 -0.67 0.00 0.00 178.83 178.91 2c9b h ALA 125 N 1.11 0.66 -0.01 3.87 0.00 -1.55 -2.98 119.26 120.37 2c9b h ALA 125 Ca -0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2c9b h ALA 125 Cb 1.53 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2c9b h ALA 125 CO 0.12 0.68 -0.30 -0.07 0.00 0.00 0.00 179.25 179.67 2c9b h LEU 126 N 0.82 0.02 -0.08 0.00 3.38 -1.59 -2.66 115.31 115.20 2c9b h LEU 126 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c9b h LEU 126 Cb 0.85 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2c9b h LEU 126 CO 0.08 0.32 0.00 -0.67 0.09 0.00 0.00 178.44 178.26 2c9b n ASP 127 N -4.17 0.12 -0.06 -0.43 -0.08 -1.13 -3.40 116.55 107.40 2c9b n ASP 127 Ca -0.02 0.52 0.01 0.00 -1.51 0.00 0.00 54.79 53.79 2c9b n ASP 127 Cb 0.35 -0.55 0.01 0.00 2.34 0.00 0.00 41.12 43.28 2c9b n ASP 127 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2c9b n ARG 128 N -1.63 2.80 -0.00 -0.67 1.74 -1.00 -2.50 116.66 115.39 2c9b n ARG 128 Ca 0.04 -1.51 0.07 0.00 -0.77 0.00 0.00 57.85 55.69 2c9b n ARG 128 Cb 0.24 -1.03 -0.09 0.00 -1.02 0.00 0.00 32.46 30.56 2c9b n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9b n ALA 129 N -0.38 3.94 -1.44 7.54 0.00 -1.21 -1.38 120.51 127.59 2c9b n ALA 129 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2c9b n ALA 129 Cb 0.26 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2c9b n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9b n GLY 130 N 1.39 0.98 3.88 0.00 0.00 -1.08 -3.94 105.19 106.42 2c9b n GLY 130 Ca 0.03 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2c9b n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9b s LEU 131 N -0.48 3.00 0.16 0.99 1.43 -1.26 -4.92 118.68 117.60 2c9b s LEU 131 Ca 0.00 1.20 -0.08 0.00 -1.03 0.00 0.00 54.13 54.22 2c9b s LEU 131 Cb 0.00 -4.07 0.21 0.00 0.03 0.00 0.00 46.19 42.36 2c9b s LEU 131 CO 0.00 -1.20 0.96 -2.65 0.23 0.00 0.00 176.35 173.69 2c9b n PRO 132 N -2.92 -0.11 -0.47 1.29 -0.01 -1.26 -0.77 135.00 130.75 2c9b n PRO 132 Ca 0.07 0.96 0.09 0.00 -0.01 0.00 0.00 63.50 64.61 2c9b n PRO 132 Cb 0.56 -1.42 0.31 0.00 -0.01 0.00 0.00 33.50 32.94 2c9b n PRO 132 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 2c9b n THR 133 N -4.95 1.55 -2.23 3.45 -2.24 -1.26 -4.99 114.28 103.60 2c9b n THR 133 Ca 0.08 -1.18 -0.33 0.00 -2.27 0.00 0.00 64.05 60.35 2c9b n THR 133 Cb 0.27 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.74 2c9b n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c9b s SER 134 N -1.04 5.99 0.08 3.42 0.01 0.05 -4.99 113.70 117.22 2c9b s SER 134 Ca 0.45 1.86 -0.11 0.00 1.31 0.00 0.00 55.95 59.47 2c9b s SER 134 Cb 0.28 -2.54 -0.24 0.00 0.21 0.00 0.00 66.02 63.73 2c9b s SER 134 CO 0.24 -1.03 1.16 0.00 0.41 0.00 0.00 173.24 174.03 2c9b h ALA 135 N 0.86 0.10 -2.93 1.44 0.00 -1.81 -3.46 119.26 113.46 2c9b h ALA 135 Ca -0.48 -0.76 -0.14 0.00 0.00 0.00 0.00 54.91 53.52 2c9b h ALA 135 Cb 1.22 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 2c9b h ALA 135 CO 0.58 0.75 -0.04 -1.83 0.00 0.00 0.00 179.25 178.72 2c9b s GLU 136 N -3.05 1.91 -0.29 0.00 4.04 -1.16 -5.09 118.70 115.07 2c9b s GLU 136 Ca -0.08 -1.53 -0.01 0.00 0.04 0.00 0.00 54.97 53.39 2c9b s GLU 136 Cb 0.07 0.50 0.09 0.00 0.02 0.00 0.00 34.13 34.81 2c9b s GLU 136 CO 0.91 -0.83 0.08 0.34 -1.84 0.00 0.00 175.26 173.93 2c9b s ASP 137 N -3.13 3.81 0.34 0.83 -1.08 -1.26 -2.64 116.67 113.54 2c9b s ASP 137 Ca 0.24 -1.46 0.08 0.00 -0.52 0.00 0.00 52.55 50.89 2c9b s ASP 137 Cb -0.02 -0.80 0.63 0.00 -1.46 0.00 0.00 42.92 41.27 2c9b s ASP 137 CO 0.15 -0.39 1.82 0.11 0.52 0.00 0.00 175.17 177.37 2c9b h LYS 138 N 8.13 0.25 -0.51 4.34 1.79 -1.52 -2.40 116.57 126.66 2c9b h LYS 138 Ca -0.15 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.20 2c9b h LYS 138 Cb 1.03 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 2c9b h LYS 138 CO 0.45 0.49 0.15 0.78 -1.08 0.00 0.00 179.45 180.23 2c9b h GLY 139 N 0.96 0.81 1.49 3.86 0.00 -1.80 0.64 103.07 109.03 2c9b h GLY 139 Ca 0.04 -0.44 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 2c9b h GLY 139 CO 0.04 0.42 -0.81 0.00 0.00 0.00 0.00 176.54 176.18 2c9b h ALA 140 N 1.42 0.46 -0.25 3.60 0.00 -1.65 -3.13 119.26 119.72 2c9b h ALA 140 Ca 0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2c9b h ALA 140 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2c9b h ALA 140 CO -0.01 0.76 0.01 1.96 0.00 0.00 0.00 179.25 181.97 2c9b h GLN 141 N 0.32 0.43 -1.00 0.00 4.20 -1.01 -2.98 115.11 115.07 2c9b h GLN 141 Ca -0.05 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.53 2c9b h GLN 141 Cb 1.42 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 29.11 2c9b h GLN 141 CO 0.15 0.60 0.66 0.00 -0.67 0.00 0.00 178.83 179.56 2c9b h ALA 142 N 0.82 1.29 -0.15 3.87 0.00 -0.96 -2.48 119.26 121.65 2c9b h ALA 142 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2c9b h ALA 142 Cb 0.40 -0.41 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2c9b h ALA 142 CO 0.01 0.66 -0.01 1.15 0.00 0.00 0.00 179.25 181.07 2c9b h THR 143 N 1.36 1.26 -0.92 0.00 2.02 -1.55 -1.93 112.91 113.14 2c9b h THR 143 Ca 0.37 -0.86 0.19 0.00 0.77 0.00 0.00 66.41 66.87 2c9b h THR 143 Cb -0.16 1.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.72 2c9b h THR 143 CO -0.08 0.25 0.60 0.58 0.37 0.00 0.00 175.52 177.24 2c9b h VAL 144 N 0.00 0.72 -0.30 3.16 2.07 -1.38 -0.93 116.25 119.58 2c9b h VAL 144 Ca 0.04 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 2c9b h VAL 144 Cb 0.39 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2c9b h VAL 144 CO 0.01 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.68 2c9b h ALA 145 N 1.61 0.41 -0.32 1.67 0.00 -1.03 -2.63 119.26 118.97 2c9b h ALA 145 Ca 0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2c9b h ALA 145 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2c9b h ALA 145 CO -0.23 0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.24 2c9b h ALA 146 N 0.82 0.42 -0.44 0.00 0.00 -0.48 -2.60 119.26 116.98 2c9b h ALA 146 Ca 0.08 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 146 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2c9b h ALA 146 CO 0.02 0.14 -0.29 -0.07 0.00 0.00 0.00 179.25 179.05 2c9b h LEU 147 N 0.35 1.02 -0.28 0.00 3.38 -1.27 -2.49 115.31 116.01 2c9b h LEU 147 Ca 0.09 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2c9b h LEU 147 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2c9b h LEU 147 CO 0.01 1.22 -0.03 0.00 0.09 0.00 0.00 178.44 179.73 2c9b h ALA 148 N 0.84 0.38 -0.01 1.53 0.00 -1.50 -2.65 119.26 117.84 2c9b h ALA 148 Ca 0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2c9b h ALA 148 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2c9b h ALA 148 CO 0.08 0.16 -0.22 1.15 0.00 0.00 0.00 179.25 180.42 2c9b h THR 149 N 0.29 1.17 -0.45 0.00 2.02 -1.48 -1.22 112.91 113.24 2c9b h THR 149 Ca 0.08 -0.79 -0.14 0.00 0.77 0.00 0.00 66.41 66.33 2c9b h THR 149 Cb 0.49 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2c9b h THR 149 CO 0.02 0.23 -0.25 0.00 0.37 0.00 0.00 175.52 175.88 2c9b h ALA 150 N 1.76 0.69 -0.02 6.16 0.00 -1.34 -2.18 119.26 124.34 2c9b h ALA 150 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2c9b h ALA 150 Cb 0.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2c9b h ALA 150 CO 0.03 0.67 -0.71 -0.07 0.00 0.00 0.00 179.25 179.17 2c9b h LEU 151 N 0.82 0.12 -0.18 0.00 3.38 -1.08 -1.85 115.31 116.53 2c9b h LEU 151 Ca 0.10 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2c9b h LEU 151 Cb 0.83 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2c9b h LEU 151 CO 0.07 0.79 0.03 0.74 0.09 0.00 0.00 178.44 180.16 2c9b h THR 152 N 0.07 1.22 -0.60 0.22 2.02 -1.20 -1.66 112.91 112.99 2c9b h THR 152 Ca -0.01 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 2c9b h THR 152 Cb 1.26 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 69.00 2c9b h THR 152 CO 0.10 0.22 0.07 -0.07 0.37 0.00 0.00 175.52 176.21 2c9b h LEU 153 N 0.08 0.95 -0.90 2.58 3.38 -1.40 -1.46 115.31 118.54 2c9b h LEU 153 Ca 0.05 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.87 2c9b h LEU 153 Cb 0.30 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 2c9b h LEU 153 CO 0.00 0.96 0.56 -0.09 0.09 0.00 0.00 178.44 179.96 2c9b h ARG 154 N 0.92 0.95 -0.16 1.13 9.65 -1.27 -1.67 114.38 123.93 2c9b h ARG 154 Ca 0.18 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.84 2c9b h ARG 154 Cb 0.44 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 2c9b h ARG 154 CO 0.02 0.63 -0.57 1.49 2.80 0.00 0.00 179.97 184.33 2c9b h GLU 155 N 0.97 0.50 0.00 0.20 4.57 -0.84 -3.29 114.58 116.70 2c9b h GLU 155 Ca 0.41 -0.32 -0.25 0.00 -1.18 0.00 0.00 59.36 58.02 2c9b h GLU 155 Cb 0.26 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2c9b h GLU 155 CO -0.20 0.93 -1.00 -0.07 -1.18 0.00 0.00 179.01 177.48 2c9b h LEU 156 N 0.38 0.73 0.00 1.64 3.38 -0.94 -3.48 115.31 117.02 2c9b h LEU 156 Ca 0.00 -0.59 -0.09 0.00 0.09 0.00 0.00 57.88 57.29 2c9b h LEU 156 Cb 1.11 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 41.67 2c9b h LEU 156 CO 0.10 1.39 0.06 0.54 0.09 0.00 0.00 178.44 180.62 2c9b n ARG 157 N -3.80 -0.96 -2.40 1.13 1.74 -0.66 -4.95 116.66 106.77 2c9b n ARG 157 Ca -0.09 -0.43 -0.43 0.00 -0.77 0.00 0.00 57.85 56.13 2c9b n ARG 157 Cb 0.87 -0.35 -0.02 0.00 -1.02 0.00 0.00 32.46 31.94 2c9b n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9b s ALA 158 N -3.45 3.51 -0.15 7.54 0.00 -1.26 -5.00 121.76 122.95 2c9b s ALA 158 Ca 0.17 0.30 -0.16 0.00 0.00 0.00 0.00 51.96 52.27 2c9b s ALA 158 Cb -0.01 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.45 2c9b s ALA 158 CO 0.12 -1.49 0.45 -3.38 0.00 0.00 0.00 175.76 171.46 2c9b s HIS 159 N 4.00 -0.47 -2.01 0.00 -3.43 -1.26 -5.14 115.29 106.98 2c9b s HIS 159 Ca 0.57 1.12 0.32 0.00 -0.80 0.00 0.00 55.06 56.26 2c9b s HIS 159 Cb -0.20 0.17 1.90 0.00 -1.43 0.00 0.00 32.58 33.03 2c9b s HIS 159 CO 0.19 -0.27 2.22 -1.13 -2.00 0.00 0.00 174.74 173.76