#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 5.46 0.22 -1.67 0.00 -1.18 -4.70 120.51 118.64 2c9b n ALA 15 Ca 0.00 -3.50 0.11 0.00 0.00 0.00 0.00 53.44 50.05 2c9b n ALA 15 Cb 0.00 -1.04 0.38 0.00 0.00 0.00 0.00 19.45 18.79 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 1.82 0.00 -0.02 0.00 4.64 -1.86 -3.25 113.55 114.88 2c9b h SER 16 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2c9b h SER 16 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2c9b h SER 16 CO 1.04 0.16 -0.00 0.61 -0.87 0.00 0.00 176.83 177.77 2c9b n GLY 17 N 0.51 0.57 3.87 -0.77 0.00 -1.26 -4.87 105.19 103.24 2c9b n GLY 17 Ca 0.01 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2c9b n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c9b s VAL 18 N -2.00 4.97 -0.42 1.61 -7.23 -1.23 -5.06 120.40 111.05 2c9b s VAL 18 Ca 0.32 0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 60.85 2c9b s VAL 18 Cb 0.20 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.58 2c9b s VAL 18 CO 0.32 0.03 0.26 -0.13 -0.31 0.00 0.00 175.10 175.27 2c9b s ARG 19 N -2.57 2.65 -0.14 4.82 0.52 -1.26 -5.00 118.95 117.97 2c9b s ARG 19 Ca 0.43 -1.42 -0.06 0.00 -0.52 0.00 0.00 55.73 54.16 2c9b s ARG 19 Cb -0.12 -3.80 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 2c9b s ARG 19 CO 0.21 -0.94 0.09 -1.17 0.02 0.00 0.00 175.30 173.51 2c9b s LEU 20 N 1.45 4.02 0.05 2.53 2.96 -1.26 -0.49 118.68 127.94 2c9b s LEU 20 Ca 0.03 0.25 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 2c9b s LEU 20 Cb -0.23 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 2c9b s LEU 20 CO 0.03 0.30 -0.21 0.00 -1.32 0.00 0.00 176.35 175.15 2c9b s ALA 21 N -0.37 1.76 -0.07 5.97 0.00 -0.52 -2.16 121.76 126.37 2c9b s ALA 21 Ca 0.10 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2c9b s ALA 21 Cb -0.12 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2c9b s ALA 21 CO 0.02 0.39 -0.15 0.42 0.00 0.00 0.00 175.76 176.44 2c9b s ILE 22 N -0.85 1.32 -0.23 0.00 1.01 0.27 -1.08 121.20 121.65 2c9b s ILE 22 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2c9b s ILE 22 Cb -0.09 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.24 2c9b s ILE 22 CO 0.02 0.40 -0.11 0.54 0.00 0.00 0.00 174.94 175.79 2c9b s VAL 23 N 0.56 1.89 -0.06 2.92 0.11 -0.00 -0.80 120.40 125.01 2c9b s VAL 23 Ca -0.15 -1.28 0.05 0.00 -2.93 0.00 0.00 61.98 57.67 2c9b s VAL 23 Cb -0.16 -1.97 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 2c9b s VAL 23 CO 0.05 0.10 -0.21 0.00 -3.33 0.00 0.00 175.10 171.71 2c9b s ALA 24 N 1.26 2.35 0.86 1.54 0.00 -0.70 -1.43 121.76 125.65 2c9b s ALA 24 Ca -0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 2c9b s ALA 24 Cb -0.18 -0.81 0.12 0.00 0.00 0.00 0.00 23.12 22.25 2c9b s ALA 24 CO -0.07 0.44 1.22 -1.54 0.00 0.00 0.00 175.76 175.81 2c9b s SER 25 N -0.27 4.03 -0.00 0.00 1.04 -0.57 -1.76 113.70 116.17 2c9b s SER 25 Ca 0.00 0.57 0.02 0.00 0.48 0.00 0.00 55.95 57.02 2c9b s SER 25 Cb -0.13 -0.91 -0.02 0.00 0.10 0.00 0.00 66.02 65.06 2c9b s SER 25 CO 0.03 -2.18 0.06 -1.20 0.98 0.00 0.00 173.24 170.92 2c9b n SER 26 N -3.45 1.81 -4.73 7.02 7.64 -0.28 -4.81 113.62 116.82 2c9b n SER 26 Ca 0.11 -0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.23 2c9b n SER 26 Cb 0.60 1.03 -0.02 0.00 -1.01 0.00 0.00 64.21 64.81 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 -1.23 2.75 -2.96 1.43 -0.00 -0.98 -2.94 117.44 113.51 2c9b n TRP 27 Ca 0.00 0.20 -0.03 0.00 -0.00 0.00 0.00 57.50 57.67 2c9b n TRP 27 Cb 0.03 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 28.73 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 2.78 -3.14 -0.03 5.87 8.25 -1.26 -4.54 115.22 123.15 2c9b n HIS 28 Ca 0.12 1.23 -0.08 0.00 -0.26 0.00 0.00 57.72 58.72 2c9b n HIS 28 Cb 0.35 -4.08 -0.02 0.00 1.12 0.00 0.00 29.99 27.37 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 1.03 -0.01 0.99 -1.41 0.00 -1.92 -2.94 103.07 98.82 2c9b h GLY 29 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2c9b h GLY 29 CO 0.26 -0.16 -0.10 1.70 0.00 0.00 0.00 176.54 178.24 2c9b h LYS 30 N -0.15 -0.28 -0.82 4.80 3.64 -1.92 -2.37 116.57 119.46 2c9b h LYS 30 Ca 0.12 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2c9b h LYS 30 Cb 0.33 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2c9b h LYS 30 CO -0.29 -0.18 0.54 0.82 -2.27 0.00 0.00 179.45 178.07 2c9b h ILE 31 N -0.30 1.18 -0.66 2.00 2.04 -1.93 -1.46 117.51 118.37 2c9b h ILE 31 Ca -0.03 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2c9b h ILE 31 Cb 0.23 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 2c9b h ILE 31 CO 0.05 0.20 0.25 0.00 0.00 0.00 0.00 178.15 178.65 2c9b h ASP 33 N 0.96 0.29 -0.34 0.00 3.32 -0.75 -1.62 116.42 118.28 2c9b h ASP 33 Ca 0.22 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 2c9b h ASP 33 Cb 0.20 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2c9b h ASP 33 CO -0.02 0.60 -0.43 0.00 -1.72 0.00 0.00 179.24 177.66 2c9b h ALA 34 N 1.43 0.51 -0.52 3.45 0.00 -1.02 -1.96 119.26 121.15 2c9b h ALA 34 Ca 0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2c9b h ALA 34 Cb 0.68 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2c9b h ALA 34 CO 0.05 0.65 -0.11 -0.07 0.00 0.00 0.00 179.25 179.77 2c9b h LEU 35 N 0.70 1.00 -1.10 0.00 3.38 -1.16 -1.88 115.31 116.24 2c9b h LEU 35 Ca 0.04 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 2c9b h LEU 35 Cb 1.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2c9b h LEU 35 CO 0.10 1.12 -0.37 0.25 0.09 0.00 0.00 178.44 179.63 2c9b h LEU 36 N 0.86 0.15 -0.33 1.67 5.85 -1.33 -2.06 115.31 120.12 2c9b h LEU 36 Ca 0.13 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2c9b h LEU 36 Cb 0.68 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2c9b h LEU 36 CO 0.05 0.51 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.68 2c9b h ASP 37 N 0.13 0.76 0.78 1.25 -0.00 -1.09 -1.99 116.42 116.26 2c9b h ASP 37 Ca 0.01 -0.43 -0.11 0.00 -0.00 0.00 0.00 57.03 56.51 2c9b h ASP 37 Cb 0.72 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.82 2c9b h ASP 37 CO 0.05 1.02 -0.53 1.23 -0.00 0.00 0.00 179.24 181.02 2c9b h GLY 38 N 0.50 0.00 0.50 -0.78 0.00 -1.28 -2.85 103.07 99.17 2c9b h GLY 38 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 2c9b h GLY 38 CO 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.55 2c9b h ALA 39 N 1.47 0.04 0.00 3.60 0.00 -1.30 -3.13 119.26 119.95 2c9b h ALA 39 Ca -0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2c9b h ALA 39 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2c9b h ALA 39 CO 0.07 -0.14 -0.30 0.00 0.00 0.00 0.00 179.25 178.88 2c9b h ARG 40 N -0.45 0.00 -0.35 0.00 3.08 -1.41 -2.27 114.38 112.98 2c9b h ARG 40 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 2c9b h ARG 40 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2c9b h ARG 40 CO 0.01 0.30 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.54 2c9b h LYS 41 N 0.00 0.93 -0.51 0.04 3.64 -1.57 -2.41 116.57 116.69 2c9b h LYS 41 Ca -0.00 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.73 2c9b h LYS 41 Cb 0.54 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2c9b h LYS 41 CO 0.04 1.17 -0.16 0.28 -2.27 0.00 0.00 179.45 178.51 2c9b h VAL 42 N 0.74 1.27 -0.41 2.00 2.07 -1.44 -2.29 116.25 118.19 2c9b h VAL 42 Ca 0.04 -1.33 0.06 0.00 0.82 0.00 0.00 66.70 66.30 2c9b h VAL 42 Cb 1.05 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 2c9b h VAL 42 CO 0.11 0.46 0.11 0.00 0.02 0.00 0.00 177.57 178.27 2c9b h ALA 43 N 0.89 0.46 -0.32 1.67 0.00 -1.34 -1.68 119.26 118.95 2c9b h ALA 43 Ca 0.12 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2c9b h ALA 43 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2c9b h ALA 43 CO 0.06 -0.29 -0.21 0.00 0.00 0.00 0.00 179.25 178.80 2c9b h ALA 44 N 1.29 1.04 0.00 0.00 0.00 -1.23 0.21 119.26 120.58 2c9b h ALA 44 Ca 0.20 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2c9b h ALA 44 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2c9b h ALA 44 CO -0.24 0.58 -0.22 0.78 0.00 0.00 0.00 179.25 180.16 2c9b h GLY 45 N 0.99 0.00 -2.71 0.00 0.00 -0.89 -2.52 103.07 97.94 2c9b h GLY 45 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2c9b h GLY 45 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 2c9b n GLY 47 N 1.49 0.61 3.21 0.00 0.00 -0.95 -3.12 105.19 106.43 2c9b n GLY 47 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 5.87 0.33 0.99 1.43 0.72 -4.78 118.68 123.24 2c9b s LEU 48 Ca 0.00 -2.42 0.18 0.00 -1.03 0.00 0.00 54.13 50.85 2c9b s LEU 48 Cb 0.00 -2.02 0.41 0.00 0.03 0.00 0.00 46.19 44.61 2c9b s LEU 48 CO 0.00 -0.56 1.60 0.44 0.23 0.00 0.00 176.35 178.06 2c9b h ASP 49 N 7.83 0.00 -2.32 2.29 3.32 -1.86 -2.92 116.42 122.76 2c9b h ASP 49 Ca -0.06 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 2c9b h ASP 49 Cb 1.03 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.19 2c9b h ASP 49 CO 0.79 0.43 -0.99 -0.67 -1.72 0.00 0.00 179.24 177.08 2c9b n ASP 50 N -3.37 -0.32 -4.91 6.45 -0.08 -1.26 -4.92 116.55 108.15 2c9b n ASP 50 Ca 0.01 -2.44 -0.28 0.00 -1.51 0.00 0.00 54.79 50.58 2c9b n ASP 50 Cb 0.61 -0.57 0.04 0.00 2.34 0.00 0.00 41.12 43.55 2c9b n ASP 50 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2c9b s PRO 51 N -0.15 2.79 -0.34 -0.67 0.05 -1.26 -5.03 135.00 130.39 2c9b s PRO 51 Ca 0.33 0.11 -0.29 0.00 0.05 0.00 0.00 61.00 61.21 2c9b s PRO 51 Cb 0.06 -2.17 0.02 0.00 0.05 0.00 0.00 34.50 32.45 2c9b s PRO 51 CO -0.19 -0.89 1.08 0.99 0.05 0.00 0.00 177.00 178.04 2c9b s THR 52 N -3.15 4.47 -0.21 1.26 2.01 -0.92 -4.94 115.64 114.16 2c9b s THR 52 Ca 0.56 1.65 -0.02 0.00 0.31 0.00 0.00 61.69 64.20 2c9b s THR 52 Cb -0.11 -4.44 0.01 0.00 0.01 0.00 0.00 72.50 67.97 2c9b s THR 52 CO 0.47 -0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.06 2c9b s VAL 53 N 3.75 2.78 -0.02 3.82 1.01 -1.26 0.97 120.40 131.45 2c9b s VAL 53 Ca 0.45 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.73 2c9b s VAL 53 Cb -0.11 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 2c9b s VAL 53 CO 0.18 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.78 2c9b s VAL 54 N 1.37 1.78 -0.08 2.92 1.01 0.02 -4.99 120.40 122.43 2c9b s VAL 54 Ca 0.04 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2c9b s VAL 54 Cb -0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2c9b s VAL 54 CO -0.07 0.50 -0.18 -0.13 0.00 0.00 0.00 175.10 175.23 2c9b s ARG 55 N -0.53 2.78 0.29 2.72 1.81 -1.26 -1.72 118.95 123.03 2c9b s ARG 55 Ca 0.09 -0.76 0.07 0.00 -1.72 0.00 0.00 55.73 53.40 2c9b s ARG 55 Cb -0.09 -2.38 -0.06 0.00 -0.45 0.00 0.00 34.95 31.98 2c9b s ARG 55 CO -0.01 0.42 -0.06 0.14 -0.68 0.00 0.00 175.30 175.11 2c9b s VAL 56 N -0.23 1.71 -0.02 3.52 -7.23 -0.72 -4.98 120.40 112.46 2c9b s VAL 56 Ca -0.00 -2.14 -0.23 0.00 -1.81 0.00 0.00 61.98 57.81 2c9b s VAL 56 Cb -0.13 -2.47 -0.21 0.00 0.56 0.00 0.00 36.38 34.13 2c9b s VAL 56 CO 0.03 -0.29 1.13 0.25 -0.31 0.00 0.00 175.10 175.91 2c9b h LEU 57 N 2.25 0.31 -9.24 1.32 6.46 -1.93 -0.73 115.31 113.75 2c9b h LEU 57 Ca -0.40 -0.68 -0.48 0.00 -0.12 0.00 0.00 57.88 56.19 2c9b h LEU 57 Cb 1.24 -0.09 -0.14 0.00 -0.73 0.00 0.00 40.66 40.94 2c9b h LEU 57 CO 0.67 0.95 -0.57 -0.83 -0.62 0.00 0.00 178.44 178.05 2c9b s GLY 58 N -3.79 2.24 0.37 3.75 0.00 -1.26 -2.31 107.32 106.32 2c9b s GLY 58 Ca -0.15 -1.67 0.19 0.00 0.00 0.00 0.00 44.72 43.09 2c9b s GLY 58 CO 0.76 -1.77 1.70 0.00 0.00 0.00 0.00 173.10 173.78 2c9b h ALA 59 N 2.03 0.94 0.00 3.20 0.00 -1.92 -3.17 119.26 120.33 2c9b h ALA 59 Ca -0.38 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.15 2c9b h ALA 59 Cb 1.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2c9b h ALA 59 CO 0.62 0.46 -0.24 0.82 0.00 0.00 0.00 179.25 180.90 2c9b h ILE 60 N 0.00 0.69 -0.09 0.00 2.04 -1.97 -2.92 117.51 115.25 2c9b h ILE 60 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2c9b h ILE 60 Cb 0.96 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 2c9b h ILE 60 CO 0.05 0.24 0.00 -1.84 0.00 0.00 0.00 178.15 176.59 2c9b n GLU 61 N -3.54 1.72 -0.06 2.37 0.00 -1.20 -4.36 120.64 115.57 2c9b n GLU 61 Ca -0.01 -1.07 -0.11 0.00 0.00 0.00 0.00 57.16 55.97 2c9b n GLU 61 Cb 0.39 -1.44 -0.05 0.00 0.00 0.00 0.00 31.44 30.34 2c9b n GLU 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2c9b h ILE 62 N 2.37 1.25 -0.96 3.84 2.04 -1.64 -3.26 117.51 121.16 2c9b h ILE 62 Ca 0.00 -0.84 0.01 0.00 1.00 0.00 0.00 64.86 65.03 2c9b h ILE 62 Cb 0.51 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 2c9b h ILE 62 CO 0.00 0.25 0.62 -0.65 0.00 0.00 0.00 178.15 178.38 2c9b h PRO 63 N 0.10 1.27 -0.59 2.37 0.11 -1.80 -1.06 132.00 132.41 2c9b h PRO 63 Ca 0.06 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2c9b h PRO 63 Cb 0.37 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 2c9b h PRO 63 CO 0.01 0.85 0.15 -0.24 -0.21 0.00 0.00 178.00 178.56 2c9b h VAL 64 N 1.30 1.23 0.00 3.15 3.04 -1.85 -1.30 116.25 121.82 2c9b h VAL 64 Ca 0.35 -0.84 -0.17 0.00 -1.01 0.00 0.00 66.70 65.03 2c9b h VAL 64 Cb -0.13 0.62 -0.02 0.00 -2.01 0.00 0.00 31.29 29.75 2c9b h VAL 64 CO -0.07 0.32 -0.79 0.58 -1.01 0.00 0.00 177.57 176.59 2c9b h VAL 65 N 0.87 1.42 -0.14 1.51 2.07 -1.54 -3.10 116.25 117.34 2c9b h VAL 65 Ca 0.19 -2.86 -0.11 0.00 0.82 0.00 0.00 66.70 64.74 2c9b h VAL 65 Cb 0.30 2.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 2c9b h VAL 65 CO -0.00 0.78 -0.40 0.00 0.02 0.00 0.00 177.57 177.97 2c9b h ALA 66 N 1.21 1.07 -0.39 1.67 0.00 -0.85 -2.03 119.26 119.94 2c9b h ALA 66 Ca -0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2c9b h ALA 66 Cb 1.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2c9b h ALA 66 CO 0.10 0.59 -0.28 0.37 0.00 0.00 0.00 179.25 180.04 2c9b h GLN 67 N 0.25 0.87 -0.53 0.00 4.15 -1.25 -2.05 115.11 116.56 2c9b h GLN 67 Ca 0.02 -0.42 -0.12 0.00 0.77 0.00 0.00 58.65 58.91 2c9b h GLN 67 Cb 0.81 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2c9b h GLN 67 CO 0.06 1.07 -0.13 1.49 -1.93 0.00 0.00 178.83 179.39 2c9b h GLU 68 N 0.68 1.00 0.00 1.69 4.57 -1.45 -3.04 114.58 118.03 2c9b h GLU 68 Ca 0.08 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.80 2c9b h GLU 68 Cb 0.85 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2c9b h GLU 68 CO 0.07 1.06 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.52 2c9b h LEU 69 N 0.89 0.00 -1.76 1.64 3.38 -1.35 -3.14 115.31 114.96 2c9b h LEU 69 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2c9b h LEU 69 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2c9b h LEU 69 CO 0.05 0.37 -0.03 0.00 0.09 0.00 0.00 178.44 178.92 2c9b h ALA 70 N 1.63 1.03 0.00 1.53 0.00 -1.24 -2.82 119.26 119.38 2c9b h ALA 70 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2c9b h ALA 70 Cb 0.90 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2c9b h ALA 70 CO 0.05 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.88 2c9b n ARG 71 N -3.16 0.07 0.00 0.00 1.74 -1.19 -3.66 116.66 110.47 2c9b n ARG 71 Ca -0.00 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2c9b n ARG 71 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2c9b n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2c9b n ASN 72 N -1.44 0.27 -4.23 0.55 4.05 -1.08 -5.11 115.26 108.27 2c9b n ASN 72 Ca 0.06 -1.09 -0.13 0.00 0.45 0.00 0.00 54.58 53.86 2c9b n ASN 72 Cb 0.21 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.12 2c9b n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c9b s HIS 73 N -0.09 1.17 -0.12 1.20 3.76 -1.12 -5.02 115.29 115.07 2c9b s HIS 73 Ca 0.00 -1.05 0.20 0.00 -0.15 0.00 0.00 55.06 54.06 2c9b s HIS 73 Cb 0.00 -0.67 -0.25 0.00 1.11 0.00 0.00 32.58 32.77 2c9b s HIS 73 CO 0.00 -0.25 0.44 -0.25 -0.85 0.00 0.00 174.74 173.82 2c9b n ASP 74 N -0.23 0.21 -3.76 1.40 8.00 0.36 -4.86 116.55 117.68 2c9b n ASP 74 Ca -0.06 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 2c9b n ASP 74 Cb 0.63 1.22 -0.11 0.00 -0.02 0.00 0.00 41.12 42.85 2c9b n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c9b s ALA 75 N -3.05 -0.82 -0.10 2.24 0.00 -0.97 -4.34 121.76 114.71 2c9b s ALA 75 Ca -0.07 0.90 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2c9b s ALA 75 Cb 0.10 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.73 2c9b s ALA 75 CO 0.86 -0.17 -0.17 0.08 0.00 0.00 0.00 175.76 176.36 2c9b s VAL 76 N 0.07 1.62 -0.21 0.00 1.01 -1.06 -1.44 120.40 120.39 2c9b s VAL 76 Ca -0.01 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 2c9b s VAL 76 Cb -0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2c9b s VAL 76 CO 0.01 0.46 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 2c9b s VAL 77 N 0.78 4.11 -0.19 2.92 1.01 -0.24 -1.41 120.40 127.38 2c9b s VAL 77 Ca -0.10 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2c9b s VAL 77 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2c9b s VAL 77 CO 0.01 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.60 2c9b s ALA 78 N 1.10 3.45 0.01 5.51 0.00 -0.90 -0.82 121.76 130.10 2c9b s ALA 78 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2c9b s ALA 78 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.00 2c9b s ALA 78 CO 0.02 0.17 -0.17 -0.51 0.00 0.00 0.00 175.76 175.27 2c9b s LEU 79 N 0.38 2.09 0.00 0.00 1.43 -0.51 -1.31 118.68 120.75 2c9b s LEU 79 Ca 0.04 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2c9b s LEU 79 Cb -0.12 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.25 2c9b s LEU 79 CO -0.00 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.36 2c9b n GLY 80 N 2.35 -0.43 2.97 -3.19 0.00 -1.22 -1.51 105.19 104.16 2c9b n GLY 80 Ca -0.16 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2c9b n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9b s VAL 81 N -2.00 0.89 -0.23 1.61 1.01 -1.26 -0.98 120.40 119.43 2c9b s VAL 81 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2c9b s VAL 81 Cb 0.00 -0.84 0.07 0.00 0.00 0.00 0.00 36.38 35.60 2c9b s VAL 81 CO 0.00 0.30 0.00 -0.69 0.00 0.00 0.00 175.10 174.72 2c9b s VAL 82 N 0.81 1.08 -0.15 2.92 1.01 0.49 -4.87 120.40 121.69 2c9b s VAL 82 Ca -0.12 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 2c9b s VAL 82 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2c9b s VAL 82 CO 0.02 -0.23 0.06 -0.63 0.00 0.00 0.00 175.10 174.32 2c9b s ILE 83 N 1.59 4.84 0.16 2.22 1.01 -1.26 -2.57 121.20 127.18 2c9b s ILE 83 Ca -0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 2c9b s ILE 83 Cb -0.18 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.06 2c9b s ILE 83 CO -0.09 0.52 1.51 -0.60 0.00 0.00 0.00 174.94 176.28 2c9b s ARG 84 N -0.12 4.25 0.00 2.79 3.52 -0.99 -4.91 118.95 123.48 2c9b s ARG 84 Ca 0.07 2.29 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 2c9b s ARG 84 Cb -0.12 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2c9b s ARG 84 CO 0.01 -0.55 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 2c9b n GLY 85 N 3.51 2.09 0.00 8.12 0.00 -1.26 -4.88 105.19 112.77 2c9b n GLY 85 Ca 0.12 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.44 2c9b n GLY 85 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2c9b n GLN 86 N 0.00 0.40 -4.45 1.61 7.27 -1.26 -4.97 117.38 115.99 2c9b n GLN 86 Ca 0.00 -0.05 -0.23 0.00 0.07 0.00 0.00 57.00 56.80 2c9b n GLN 86 Cb 0.00 -1.46 -0.10 0.00 2.41 0.00 0.00 30.24 31.09 2c9b n GLN 86 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2c9b s THR 87 N -3.04 2.13 -2.00 1.69 -4.23 -1.26 -5.01 115.64 103.92 2c9b s THR 87 Ca 0.04 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.27 2c9b s THR 87 Cb 0.15 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2c9b s THR 87 CO 0.84 -0.39 0.07 -2.65 -0.54 0.00 0.00 174.62 171.95 2c9b n PRO 88 N -0.59 0.01 0.05 3.99 -0.02 -1.26 -3.67 135.00 133.51 2c9b n PRO 88 Ca -0.06 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.55 2c9b n PRO 88 Cb 0.61 -1.06 0.59 0.00 -0.02 0.00 0.00 33.50 33.63 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 0.18 -0.35 6.00 2.76 -1.96 -2.44 115.15 119.33 2c9b h HIS 89 Ca 0.00 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.22 2c9b h HIS 89 Cb 0.00 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.86 2c9b h HIS 89 CO 0.00 0.09 0.10 0.35 -1.30 0.00 0.00 177.93 177.17 2c9b h PHE 90 N 0.17 0.17 -0.80 5.26 3.57 -1.91 -3.07 116.94 120.33 2c9b h PHE 90 Ca 0.17 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2c9b h PHE 90 Cb 0.47 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2c9b h PHE 90 CO -0.00 0.06 0.53 -0.44 -2.23 0.00 0.00 178.31 176.23 2c9b h ASP 91 N 0.23 0.85 0.79 0.41 3.32 -1.76 -2.70 116.42 117.57 2c9b h ASP 91 Ca 0.16 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 2c9b h ASP 91 Cb 0.16 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2c9b h ASP 91 CO -0.19 0.59 -1.30 1.88 -1.72 0.00 0.00 179.24 178.50 2c9b h TYR 92 N 0.99 0.00 -0.39 4.55 0.05 -1.64 -1.62 116.97 118.91 2c9b h TYR 92 Ca 0.32 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.97 2c9b h TYR 92 Cb 0.04 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2c9b h TYR 92 CO -0.00 0.48 -0.26 0.28 -1.05 0.00 0.00 178.16 177.61 2c9b h VAL 93 N 0.00 1.28 -0.24 -2.88 2.07 -1.53 -2.67 116.25 112.29 2c9b h VAL 93 Ca -0.13 -1.42 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 2c9b h VAL 93 Cb 1.48 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2c9b h VAL 93 CO 0.04 0.47 -0.29 0.00 0.02 0.00 0.00 177.57 177.82 2c9b h ASP 95 N 0.41 0.79 -0.33 0.00 3.32 -1.28 -2.62 116.42 116.70 2c9b h ASP 95 Ca 0.06 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 2c9b h ASP 95 Cb 0.71 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 2c9b h ASP 95 CO 0.05 0.89 0.03 0.00 -1.72 0.00 0.00 179.24 178.50 2c9b h ALA 96 N 0.92 1.26 -0.32 3.45 0.00 -1.37 -1.38 119.26 121.83 2c9b h ALA 96 Ca 0.13 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2c9b h ALA 96 Cb 0.49 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2c9b h ALA 96 CO 0.02 0.50 -0.38 0.28 0.00 0.00 0.00 179.25 179.67 2c9b h VAL 97 N 0.63 1.29 0.90 0.00 2.07 -1.48 -1.07 116.25 118.58 2c9b h VAL 97 Ca 0.13 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 2c9b h VAL 97 Cb 0.35 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2c9b h VAL 97 CO 0.01 0.51 -0.49 0.74 0.02 0.00 0.00 177.57 178.36 2c9b h THR 98 N 0.59 0.00 -0.98 2.57 2.02 -1.12 -1.57 112.91 114.43 2c9b h THR 98 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2c9b h THR 98 Cb 0.97 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2c9b h THR 98 CO 0.09 0.00 0.63 1.56 0.37 0.00 0.00 175.52 178.17 2c9b h GLN 99 N -1.27 1.30 -0.02 6.66 4.20 -1.35 -2.64 115.11 121.99 2c9b h GLN 99 Ca -0.12 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 2c9b h GLN 99 Cb 1.00 -0.29 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2c9b h GLN 99 CO 0.17 0.88 -0.00 0.78 -0.67 0.00 0.00 178.83 179.98 2c9b h GLY 100 N 1.33 0.03 1.68 3.46 0.00 -1.16 -2.60 103.07 105.81 2c9b h GLY 100 Ca 0.36 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.52 2c9b h GLY 100 CO -0.07 0.02 -0.54 1.41 0.00 0.00 0.00 176.54 177.36 2c9b h LEU 101 N -0.28 0.38 -0.47 3.11 3.38 -1.28 -2.41 115.31 117.73 2c9b h LEU 101 Ca 0.00 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 2c9b h LEU 101 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2c9b h LEU 101 CO 0.00 0.84 -0.23 0.74 0.09 0.00 0.00 178.44 179.88 2c9b h THR 102 N 0.26 1.27 -0.56 0.22 2.02 -1.54 -2.50 112.91 112.08 2c9b h THR 102 Ca 0.00 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.69 2c9b h THR 102 Cb 1.04 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 2c9b h THR 102 CO 0.09 0.48 -0.03 -0.09 0.37 0.00 0.00 175.52 176.35 2c9b h ARG 103 N 0.84 1.01 -0.33 6.66 1.12 -1.36 -3.04 114.38 119.28 2c9b h ARG 103 Ca 0.10 -0.34 -0.05 0.00 -1.11 0.00 0.00 59.98 58.59 2c9b h ARG 103 Cb 0.82 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.68 2c9b h ARG 103 CO 0.07 1.02 0.03 0.28 -3.11 0.00 0.00 179.97 178.26 2c9b h VAL 104 N 0.89 1.25 -0.53 0.20 2.07 -1.43 -2.31 116.25 116.38 2c9b h VAL 104 Ca 0.16 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2c9b h VAL 104 Cb 0.58 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 2c9b h VAL 104 CO 0.03 0.29 0.35 0.77 0.02 0.00 0.00 177.57 179.04 2c9b h SER 105 N 0.39 0.61 0.68 0.57 4.64 -1.39 -1.88 113.55 117.17 2c9b h SER 105 Ca 0.10 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2c9b h SER 105 Cb 0.39 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2c9b h SER 105 CO 0.01 0.45 -1.38 0.18 -0.87 0.00 0.00 176.83 175.21 2c9b n LEU 106 N -4.45 0.67 0.02 5.97 4.77 -1.16 -2.00 117.00 120.82 2c9b n LEU 106 Ca 0.05 0.27 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2c9b n LEU 106 Cb 0.05 0.03 0.16 0.00 -2.33 0.00 0.00 43.42 41.33 2c9b n LEU 106 CO 0.36 -0.01 0.66 0.44 -1.33 0.00 0.00 177.39 177.51 2c9b h ASP 107 N 0.00 0.49 -0.01 -1.43 3.45 -1.12 -3.31 116.42 114.49 2c9b h ASP 107 Ca -0.09 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.18 2c9b h ASP 107 Cb 1.27 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 2c9b h ASP 107 CO 0.02 0.81 -0.03 -1.54 -1.57 0.00 0.00 179.24 176.92 2c9b n SER 108 N -4.06 1.80 -3.97 6.45 3.41 -0.73 -4.99 113.62 111.52 2c9b n SER 108 Ca -0.01 -1.40 -0.31 0.00 -0.26 0.00 0.00 58.87 56.89 2c9b n SER 108 Cb 0.47 0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.48 -4.60 -4.21 4.04 7.64 -0.85 -4.98 113.62 111.15 2c9b n SER 109 Ca 0.06 -0.82 -0.29 0.00 1.01 0.00 0.00 58.87 58.84 2c9b n SER 109 Cb 0.26 -3.71 -0.16 0.00 -1.01 0.00 0.00 64.21 59.59 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 -3.30 1.76 -0.09 0.44 2.01 -0.85 -5.04 115.64 110.58 2c9b s THR 110 Ca 0.68 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 2c9b s THR 110 Cb -0.35 -1.49 -0.06 0.00 0.01 0.00 0.00 72.50 70.61 2c9b s THR 110 CO 0.85 0.50 1.88 -2.84 -0.69 0.00 0.00 174.62 174.32 2c9b s PRO 111 N -0.11 3.87 -0.31 4.92 0.02 -1.26 -4.45 135.00 137.68 2c9b s PRO 111 Ca -0.03 2.22 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 2c9b s PRO 111 Cb -0.12 -4.14 0.02 0.00 0.02 0.00 0.00 34.50 30.28 2c9b s PRO 111 CO 0.03 -1.24 0.08 0.42 -0.33 0.00 0.00 177.00 175.96 2c9b s ILE 112 N 5.31 3.80 0.14 2.83 -1.09 -1.26 -2.57 121.20 128.35 2c9b s ILE 112 Ca 0.84 -0.90 -0.23 0.00 -2.23 0.00 0.00 60.65 58.13 2c9b s ILE 112 Cb -0.35 -3.04 -0.08 0.00 -1.58 0.00 0.00 42.46 37.41 2c9b s ILE 112 CO 0.35 -0.02 0.70 0.00 -1.23 0.00 0.00 174.94 174.74 2c9b s ALA 113 N 1.44 3.50 -0.43 9.38 0.00 -0.50 -4.99 121.76 130.16 2c9b s ALA 113 Ca 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.11 2c9b s ALA 113 Cb -0.18 -2.83 0.09 0.00 0.00 0.00 0.00 23.12 20.19 2c9b s ALA 113 CO 0.02 0.33 0.28 1.21 0.00 0.00 0.00 175.76 177.61 2c9b s ASN 114 N -1.16 5.67 -0.29 0.00 3.84 -1.26 -2.12 114.94 119.62 2c9b s ASN 114 Ca 0.34 -1.58 0.09 0.00 0.21 0.00 0.00 52.86 51.91 2c9b s ASN 114 Cb -0.22 -2.00 0.48 0.00 -0.55 0.00 0.00 41.25 38.96 2c9b s ASN 114 CO 0.23 -0.57 1.39 0.61 -2.79 0.00 0.00 177.10 175.97 2c9b n GLY 115 N 4.92 5.19 3.57 1.21 0.00 -0.43 -4.90 105.19 114.76 2c9b n GLY 115 Ca -0.10 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.47 4.61 0.04 1.61 1.01 -1.25 -3.40 120.40 119.54 2c9b s VAL 116 Ca 0.44 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 2c9b s VAL 116 Cb 0.40 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 2c9b s VAL 116 CO -0.02 -0.64 1.37 -0.76 0.00 0.00 0.00 175.10 175.05 2c9b s LEU 117 N 3.40 4.34 -0.33 3.92 1.43 -0.15 -4.92 118.68 126.37 2c9b s LEU 117 Ca 0.34 2.16 0.04 0.00 -1.03 0.00 0.00 54.13 55.63 2c9b s LEU 117 Cb -0.12 -3.57 0.09 0.00 0.03 0.00 0.00 46.19 42.63 2c9b s LEU 117 CO 0.21 -0.67 0.03 0.42 0.23 0.00 0.00 176.35 176.57 2c9b s THR 118 N 1.87 2.24 0.31 5.49 -4.23 -1.26 -0.38 115.64 119.68 2c9b s THR 118 Ca 0.63 -2.23 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2c9b s THR 118 Cb -0.33 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.84 2c9b s THR 118 CO 0.28 -0.52 0.03 0.42 -0.54 0.00 0.00 174.62 174.29 2c9b s THR 119 N 0.94 1.28 -0.13 3.99 -4.23 -1.06 -5.05 115.64 111.39 2c9b s THR 119 Ca 0.08 -2.03 -0.16 0.00 -1.18 0.00 0.00 61.69 58.41 2c9b s THR 119 Cb -0.19 -2.69 -0.25 0.00 1.34 0.00 0.00 72.50 70.71 2c9b s THR 119 CO -0.08 -0.09 0.46 0.78 -0.54 0.00 0.00 174.62 175.15 2c9b h ASN 120 N 2.17 0.30 -2.01 3.99 4.21 -1.93 -2.62 115.58 119.69 2c9b h ASN 120 Ca -0.40 -0.81 -0.60 0.00 1.21 0.00 0.00 56.30 55.69 2c9b h ASN 120 Cb 1.24 -0.10 -0.13 0.00 -1.12 0.00 0.00 38.32 38.22 2c9b h ASN 120 CO 0.69 1.62 -0.68 0.42 -1.29 0.00 0.00 177.43 178.20 2c9b s THR 121 N -2.46 2.49 0.35 2.81 -4.23 -1.26 -3.93 115.64 109.41 2c9b s THR 121 Ca -0.22 -2.16 0.15 0.00 -1.18 0.00 0.00 61.69 58.28 2c9b s THR 121 Cb 0.05 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.38 2c9b s THR 121 CO 0.73 -0.26 1.84 -0.08 -0.54 0.00 0.00 174.62 176.31 2c9b h GLU 122 N 2.01 0.00 -0.55 3.99 4.81 -1.95 -2.93 114.58 119.94 2c9b h GLU 122 Ca -0.42 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 2c9b h GLU 122 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2c9b h GLU 122 CO 0.66 0.35 0.02 0.93 -0.73 0.00 0.00 179.01 180.24 2c9b h GLU 123 N 0.00 0.93 -0.24 1.92 5.08 -2.00 -2.82 114.58 117.45 2c9b h GLU 123 Ca -0.00 -0.26 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 2c9b h GLU 123 Cb 0.66 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2c9b h GLU 123 CO 0.05 0.91 -0.43 1.96 -1.00 0.00 0.00 179.01 180.49 2c9b h GLN 124 N 0.87 0.59 -0.25 2.33 4.20 -1.94 -2.77 115.11 118.14 2c9b h GLN 124 Ca 0.17 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 2c9b h GLN 124 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2c9b h GLN 124 CO 0.02 0.91 -0.32 0.00 -0.67 0.00 0.00 178.83 178.77 2c9b h ALA 125 N 1.04 0.98 -0.05 3.87 0.00 -1.47 -2.84 119.26 120.80 2c9b h ALA 125 Ca 0.03 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2c9b h ALA 125 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2c9b h ALA 125 CO 0.09 0.60 -0.58 -0.07 0.00 0.00 0.00 179.25 179.29 2c9b h LEU 126 N 0.45 0.16 -0.44 0.00 3.38 -1.46 -3.11 115.31 114.28 2c9b h LEU 126 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2c9b h LEU 126 Cb 0.78 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2c9b h LEU 126 CO 0.06 0.71 0.00 -0.67 0.09 0.00 0.00 178.44 178.63 2c9b n ASP 127 N -3.87 0.65 -0.18 -0.43 2.03 -1.05 -3.01 116.55 110.68 2c9b n ASP 127 Ca -0.02 0.63 0.07 0.00 0.52 0.00 0.00 54.79 55.99 2c9b n ASP 127 Cb 0.59 -0.78 0.12 0.00 -0.72 0.00 0.00 41.12 40.33 2c9b n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c9b n ARG 128 N -2.18 2.03 -0.10 -0.67 1.74 -1.18 -1.91 116.66 114.40 2c9b n ARG 128 Ca 0.03 -2.29 -0.11 0.00 -0.77 0.00 0.00 57.85 54.72 2c9b n ARG 128 Cb 0.28 -1.39 -0.16 0.00 -1.02 0.00 0.00 32.46 30.18 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 -0.97 1.49 0.00 7.54 0.00 -1.16 -2.33 120.51 125.09 2c9b n ALA 129 Ca 0.12 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.28 2c9b n ALA 129 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 1.78 2.00 3.87 0.00 0.00 -1.02 -4.08 105.19 107.72 2c9b n GLY 130 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 3.00 0.07 0.99 2.01 -1.26 -4.94 118.68 118.55 2c9b s LEU 131 Ca 0.00 1.28 -0.13 0.00 0.01 0.00 0.00 54.13 55.29 2c9b s LEU 131 Cb 0.00 -4.15 -0.03 0.00 0.01 0.00 0.00 46.19 42.02 2c9b s LEU 131 CO 0.00 -1.25 0.65 -2.65 1.01 0.00 0.00 176.35 174.11 2c9b n PRO 132 N -2.97 -0.18 -1.21 1.29 -0.02 -1.26 -1.16 135.00 129.50 2c9b n PRO 132 Ca 0.07 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 2c9b n PRO 132 Cb 0.56 -0.94 0.15 0.00 -0.02 0.00 0.00 33.50 33.24 2c9b n PRO 132 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c9b n THR 133 N -4.45 3.08 -3.45 3.45 -2.24 -1.26 -4.99 114.28 104.42 2c9b n THR 133 Ca 0.01 -2.58 -0.33 0.00 -2.27 0.00 0.00 64.05 58.88 2c9b n THR 133 Cb 0.11 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.96 6.67 0.37 3.42 0.01 -0.30 -5.00 113.70 116.91 2c9b s SER 134 Ca 0.55 0.91 0.19 0.00 1.31 0.00 0.00 55.95 58.91 2c9b s SER 134 Cb 0.46 -2.22 0.61 0.00 0.21 0.00 0.00 66.02 65.08 2c9b s SER 134 CO 0.04 0.03 1.70 0.00 0.41 0.00 0.00 173.24 175.42 2c9b h ALA 135 N 3.06 0.94 -2.99 1.44 0.00 -1.71 -3.47 119.26 116.53 2c9b h ALA 135 Ca -0.48 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.13 2c9b h ALA 135 Cb 1.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2c9b h ALA 135 CO 0.68 0.47 0.21 -1.83 0.00 0.00 0.00 179.25 178.77 2c9b s GLU 136 N -3.50 1.89 -0.30 0.00 -1.05 -1.06 -5.06 118.70 109.62 2c9b s GLU 136 Ca 0.01 -1.14 -0.03 0.00 -0.15 0.00 0.00 54.97 53.66 2c9b s GLU 136 Cb 0.10 0.60 0.10 0.00 -0.44 0.00 0.00 34.13 34.49 2c9b s GLU 136 CO 0.69 -0.87 0.12 0.34 0.95 0.00 0.00 175.26 176.49 2c9b s ASP 137 N -2.97 3.69 0.34 0.83 -1.08 -1.26 -2.44 116.67 113.78 2c9b s ASP 137 Ca 0.13 -1.41 0.25 0.00 -0.52 0.00 0.00 52.55 51.00 2c9b s ASP 137 Cb -0.05 -0.52 0.62 0.00 -1.46 0.00 0.00 42.92 41.51 2c9b s ASP 137 CO 0.09 -0.43 1.70 0.11 0.52 0.00 0.00 175.17 177.16 2c9b h LYS 138 N 8.29 0.00 -0.23 4.34 1.57 -1.72 -2.56 116.57 126.26 2c9b h LYS 138 Ca -0.18 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 2c9b h LYS 138 Cb 1.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 2c9b h LYS 138 CO 0.45 0.00 -0.54 0.78 -0.57 0.00 0.00 179.45 179.57 2c9b h GLY 139 N 4.03 0.74 1.31 3.86 0.00 -1.83 -1.50 103.07 109.69 2c9b h GLY 139 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 47.33 46.30 2c9b h GLY 139 CO 0.00 0.77 -0.55 0.00 0.00 0.00 0.00 176.54 176.76 2c9b h ALA 140 N 0.88 0.58 0.01 3.60 0.00 -1.68 -3.08 119.26 119.57 2c9b h ALA 140 Ca 0.01 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2c9b h ALA 140 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2c9b h ALA 140 CO 0.11 0.69 -0.01 1.96 0.00 0.00 0.00 179.25 182.00 2c9b h GLN 141 N 0.55 -0.02 -0.06 0.00 4.20 -1.41 -2.65 115.11 115.72 2c9b h GLN 141 Ca 0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2c9b h GLN 141 Cb 1.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 2c9b h GLN 141 CO 0.11 0.19 -0.04 0.00 -0.67 0.00 0.00 178.83 178.43 2c9b h ALA 142 N 0.76 1.83 -0.16 3.87 0.00 -1.35 -1.98 119.26 122.23 2c9b h ALA 142 Ca -0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 2c9b h ALA 142 Cb 0.21 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2c9b h ALA 142 CO 0.00 0.13 -0.67 1.15 0.00 0.00 0.00 179.25 179.87 2c9b h THR 143 N 0.08 1.30 -0.91 0.00 2.02 -1.45 -1.95 112.91 112.01 2c9b h THR 143 Ca 0.02 -1.89 0.06 0.00 0.77 0.00 0.00 66.41 65.37 2c9b h THR 143 Cb 0.13 1.99 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 2c9b h THR 143 CO 0.01 0.59 0.59 0.58 0.37 0.00 0.00 175.52 177.66 2c9b h VAL 144 N 0.44 1.08 -0.45 3.16 2.07 -1.11 -2.16 116.25 119.28 2c9b h VAL 144 Ca -0.04 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2c9b h VAL 144 Cb 1.30 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2c9b h VAL 144 CO 0.14 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.91 2c9b h ALA 145 N 1.50 0.61 -0.07 1.67 0.00 -1.16 -2.58 119.26 119.23 2c9b h ALA 145 Ca 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2c9b h ALA 145 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2c9b h ALA 145 CO -0.14 0.41 0.02 0.00 0.00 0.00 0.00 179.25 179.54 2c9b h ALA 146 N 0.90 0.09 -0.16 0.00 0.00 -1.05 -2.60 119.26 116.45 2c9b h ALA 146 Ca 0.13 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2c9b h ALA 146 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2c9b h ALA 146 CO 0.03 -0.28 -0.29 -0.07 0.00 0.00 0.00 179.25 178.63 2c9b h LEU 147 N -0.10 0.32 -0.29 0.00 3.38 -1.42 -1.81 115.31 115.38 2c9b h LEU 147 Ca 0.02 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2c9b h LEU 147 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2c9b h LEU 147 CO 0.00 0.60 -0.80 0.00 0.09 0.00 0.00 178.44 178.34 2c9b h ALA 148 N 1.42 0.61 0.00 1.53 0.00 -1.48 -2.78 119.26 118.56 2c9b h ALA 148 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2c9b h ALA 148 Cb 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2c9b h ALA 148 CO 0.05 1.00 -0.21 1.15 0.00 0.00 0.00 179.25 181.24 2c9b h THR 149 N 0.00 0.13 0.05 0.00 2.02 -1.23 -2.88 112.91 111.01 2c9b h THR 149 Ca -0.01 -1.20 -0.25 0.00 0.77 0.00 0.00 66.41 65.73 2c9b h THR 149 Cb 1.48 2.01 0.01 0.00 -1.74 0.00 0.00 68.15 69.90 2c9b h THR 149 CO 0.10 0.08 -1.06 0.00 0.37 0.00 0.00 175.52 175.01 2c9b h ALA 150 N 1.92 0.24 -0.02 6.16 0.00 -1.29 -2.93 119.26 123.33 2c9b h ALA 150 Ca -0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 53.97 2c9b h ALA 150 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2c9b h ALA 150 CO 0.01 0.83 -0.77 -0.07 0.00 0.00 0.00 179.25 179.25 2c9b h LEU 151 N 0.21 0.25 -0.11 0.00 3.38 -1.53 -2.36 115.31 115.14 2c9b h LEU 151 Ca -0.11 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2c9b h LEU 151 Cb 1.73 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2c9b h LEU 151 CO 0.19 0.92 -0.10 0.74 0.09 0.00 0.00 178.44 180.28 2c9b h THR 152 N 0.13 1.35 -0.49 0.22 2.02 -1.59 -1.79 112.91 112.76 2c9b h THR 152 Ca -0.03 -1.24 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 2c9b h THR 152 Cb 1.34 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.66 2c9b h THR 152 CO 0.12 0.35 0.16 -0.07 0.37 0.00 0.00 175.52 176.45 2c9b h LEU 153 N -0.13 0.66 -1.14 2.58 3.38 -1.57 0.18 115.31 119.26 2c9b h LEU 153 Ca 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2c9b h LEU 153 Cb 0.61 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2c9b h LEU 153 CO 0.03 0.62 0.05 -0.09 0.09 0.00 0.00 178.44 179.14 2c9b h ARG 154 N 0.70 0.65 0.03 1.13 1.12 -1.39 -0.68 114.38 115.94 2c9b h ARG 154 Ca 0.17 -0.14 -0.22 0.00 -1.11 0.00 0.00 59.98 58.68 2c9b h ARG 154 Cb 0.20 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2c9b h ARG 154 CO -0.01 0.63 -0.97 1.49 -3.11 0.00 0.00 179.97 178.00 2c9b h GLU 155 N 0.62 0.24 0.04 0.20 4.57 -0.42 -3.29 114.58 116.54 2c9b h GLU 155 Ca 0.14 -0.30 -0.23 0.00 -1.18 0.00 0.00 59.36 57.79 2c9b h GLU 155 Cb 0.32 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2c9b h GLU 155 CO 0.01 1.04 -1.03 -0.07 -1.18 0.00 0.00 179.01 177.78 2c9b h LEU 156 N 0.12 0.23-10.58 1.64 3.38 -0.81 -3.47 115.31 105.82 2c9b h LEU 156 Ca -0.07 -0.23 -0.42 0.00 0.09 0.00 0.00 57.88 57.26 2c9b h LEU 156 Cb 1.64 -0.07 0.19 0.00 0.09 0.00 0.00 40.66 42.50 2c9b h LEU 156 CO 0.15 1.12 0.24 -0.13 0.09 0.00 0.00 178.44 179.91 2c9b s ARG 157 N -2.88 -0.72 -0.13 1.13 0.52 -0.28 -4.95 118.95 111.64 2c9b s ARG 157 Ca -0.02 -0.29 -0.29 0.00 -0.52 0.00 0.00 55.73 54.61 2c9b s ARG 157 Cb 0.09 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 2c9b s ARG 157 CO 0.84 -3.34 1.47 0.00 0.02 0.00 0.00 175.30 174.29 2c9b s ALA 158 N -3.37 3.60 -0.12 2.13 0.00 -1.26 -5.00 121.76 117.73 2c9b s ALA 158 Ca 0.73 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 53.19 2c9b s ALA 158 Cb -0.06 -3.70 0.04 0.00 0.00 0.00 0.00 23.12 19.39 2c9b s ALA 158 CO 0.55 -1.37 0.40 -3.38 0.00 0.00 0.00 175.76 171.96 2c9b s HIS 159 N 3.93 -0.40 -2.00 0.00 -3.43 -1.26 -5.13 115.29 107.00 2c9b s HIS 159 Ca 0.64 0.92 0.18 0.00 -0.80 0.00 0.00 55.06 56.00 2c9b s HIS 159 Cb -0.27 0.15 1.06 0.00 -1.43 0.00 0.00 32.58 32.10 2c9b s HIS 159 CO 0.23 -0.27 1.46 -1.13 -2.00 0.00 0.00 174.74 173.03