#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9d n ALA 15 N 0.00 -0.27 0.41 2.12 0.00 -1.26 -4.10 120.51 117.41 2c9d n ALA 15 Ca 0.00 0.20 0.09 0.00 0.00 0.00 0.00 53.44 53.74 2c9d n ALA 15 Cb 0.00 -1.59 0.39 0.00 0.00 0.00 0.00 19.45 18.25 2c9d n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2c9d n SER 16 N -0.41 0.35 -0.13 0.00 3.41 -1.25 -2.58 113.62 113.01 2c9d n SER 16 Ca -0.15 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 2c9d n SER 16 Cb 0.51 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 2c9d n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2c9d n GLY 17 N -0.15 -0.72 3.76 5.00 0.00 -1.26 -4.91 105.19 106.91 2c9d n GLY 17 Ca 0.02 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 2c9d n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 18 N -2.84 3.70 -0.45 1.61 1.01 -1.07 -5.03 120.40 117.34 2c9d s VAL 18 Ca 0.11 1.65 -0.14 0.00 0.00 0.00 0.00 61.98 63.60 2c9d s VAL 18 Cb 0.16 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2c9d s VAL 18 CO 0.78 0.34 0.34 -0.13 0.00 0.00 0.00 175.10 176.44 2c9d s ARG 19 N -1.53 2.88 -0.06 2.72 0.52 -1.26 -5.01 118.95 117.21 2c9d s ARG 19 Ca 0.45 -1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 54.32 2c9d s ARG 19 Cb -0.29 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 31.14 2c9d s ARG 19 CO 0.36 -0.96 0.08 -1.17 0.02 0.00 0.00 175.30 173.63 2c9d s LEU 20 N 1.59 3.95 0.03 2.53 2.96 -1.26 -0.78 118.68 127.70 2c9d s LEU 20 Ca 0.04 0.24 0.04 0.00 -0.22 0.00 0.00 54.13 54.23 2c9d s LEU 20 Cb -0.23 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 2c9d s LEU 20 CO 0.06 0.34 -0.13 0.00 -1.32 0.00 0.00 176.35 175.31 2c9d s ALA 21 N -1.05 1.08 -0.09 5.97 0.00 -0.65 -2.31 121.76 124.70 2c9d s ALA 21 Ca 0.18 -0.73 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2c9d s ALA 21 Cb -0.12 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.84 2c9d s ALA 21 CO 0.08 0.21 -0.11 0.42 0.00 0.00 0.00 175.76 176.36 2c9d s ILE 22 N -0.73 1.15 -0.17 0.00 1.01 0.20 -1.10 121.20 121.56 2c9d s ILE 22 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2c9d s ILE 22 Cb -0.07 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2c9d s ILE 22 CO 0.01 0.37 -0.17 0.54 0.00 0.00 0.00 174.94 175.69 2c9d s VAL 23 N 1.17 2.42 -0.02 2.92 0.11 -0.34 -0.82 120.40 125.83 2c9d s VAL 23 Ca -0.05 -0.84 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 2c9d s VAL 23 Cb -0.14 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 2c9d s VAL 23 CO -0.03 0.52 -0.10 0.00 -3.33 0.00 0.00 175.10 172.17 2c9d s ALA 24 N 1.05 0.90 0.62 1.54 0.00 -0.74 -1.36 121.76 123.77 2c9d s ALA 24 Ca -0.01 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2c9d s ALA 24 Cb -0.14 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2c9d s ALA 24 CO -0.05 0.16 1.03 0.45 0.00 0.00 0.00 175.76 177.35 2c9d s SER 25 N 0.12 6.03 -0.05 0.00 0.15 -0.67 -1.85 113.70 117.42 2c9d s SER 25 Ca -0.02 1.53 0.13 0.00 0.70 0.00 0.00 55.95 58.29 2c9d s SER 25 Cb -0.08 -2.49 -0.20 0.00 -1.71 0.00 0.00 66.02 61.54 2c9d s SER 25 CO 0.00 -1.00 0.23 -1.20 1.20 0.00 0.00 173.24 172.47 2c9d n SER 26 N -2.60 1.77 -4.62 5.45 7.64 -0.62 -4.82 113.62 115.82 2c9d n SER 26 Ca 0.07 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.37 2c9d n SER 26 Cb 0.54 1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 65.05 2c9d n SER 26 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2c9d n TRP 27 N -2.15 1.47 -2.92 1.43 -0.00 -1.23 -2.06 117.44 111.99 2c9d n TRP 27 Ca -0.09 0.79 -0.09 0.00 -0.00 0.00 0.00 57.50 58.11 2c9d n TRP 27 Cb 0.55 -2.29 0.01 0.00 -0.00 0.00 0.00 31.31 29.58 2c9d n TRP 27 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 2c9d n HIS 28 N 3.19 -3.38 -0.17 5.87 8.25 -1.26 -4.66 115.22 123.06 2c9d n HIS 28 Ca 0.23 1.36 -0.10 0.00 -0.26 0.00 0.00 57.72 58.95 2c9d n HIS 28 Cb 0.11 -3.96 0.00 0.00 1.12 0.00 0.00 29.99 27.27 2c9d n HIS 28 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2c9d h GLY 29 N 1.80 0.92 0.88 -1.41 0.00 -1.79 -3.05 103.07 100.43 2c9d h GLY 29 Ca -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.64 2c9d h GLY 29 CO 0.21 0.61 0.00 1.70 0.00 0.00 0.00 176.54 179.07 2c9d h LYS 30 N 0.71 0.03 -0.77 4.80 3.64 -1.93 -1.95 116.57 121.11 2c9d h LYS 30 Ca 0.14 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 2c9d h LYS 30 Cb 0.49 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2c9d h LYS 30 CO 0.02 0.02 0.28 0.82 -2.27 0.00 0.00 179.45 178.33 2c9d h ILE 31 N 0.03 1.26 -0.59 2.00 2.04 -1.95 -2.58 117.51 117.73 2c9d h ILE 31 Ca 0.04 -0.85 0.08 0.00 1.00 0.00 0.00 64.86 65.13 2c9d h ILE 31 Cb 0.04 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 36.42 2c9d h ILE 31 CO -0.06 0.34 0.24 0.00 0.00 0.00 0.00 178.15 178.66 2c9d h ASP 33 N 0.43 0.79 0.45 0.00 3.32 -0.98 0.11 116.42 120.55 2c9d h ASP 33 Ca 0.29 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 2c9d h ASP 33 Cb 0.32 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2c9d h ASP 33 CO -0.27 0.53 -0.22 0.00 -1.72 0.00 0.00 179.24 177.57 2c9d h ALA 34 N 1.35 -0.61 -0.56 3.45 0.00 -1.09 0.42 119.26 122.22 2c9d h ALA 34 Ca 0.32 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2c9d h ALA 34 Cb 0.07 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 2c9d h ALA 34 CO -0.13 -0.80 0.12 -0.07 0.00 0.00 0.00 179.25 178.36 2c9d h LEU 35 N -0.69 0.01 -1.06 0.00 3.38 -0.91 -1.22 115.31 114.82 2c9d h LEU 35 Ca -0.06 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2c9d h LEU 35 Cb 0.51 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2c9d h LEU 35 CO 0.10 0.02 0.05 0.25 0.09 0.00 0.00 178.44 178.96 2c9d h LEU 36 N 0.26 0.68 -0.69 1.67 5.85 -0.71 -2.90 115.31 119.47 2c9d h LEU 36 Ca 0.29 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2c9d h LEU 36 Cb 0.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2c9d h LEU 36 CO -0.37 0.72 -0.01 -0.78 -0.34 0.00 0.00 178.44 177.65 2c9d h ASP 37 N 0.69 0.98 -0.44 1.25 1.82 0.21 -2.59 116.42 118.34 2c9d h ASP 37 Ca 0.15 -0.28 -0.03 0.00 -0.39 0.00 0.00 57.03 56.48 2c9d h ASP 37 Cb 0.35 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2c9d h ASP 37 CO 0.01 1.04 0.17 1.23 -1.61 0.00 0.00 179.24 180.08 2c9d h GLY 38 N 0.99 0.71 1.00 -0.78 0.00 -1.18 -2.81 103.07 101.01 2c9d h GLY 38 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2c9d h GLY 38 CO 0.03 0.37 0.20 0.00 0.00 0.00 0.00 176.54 177.14 2c9d h ALA 39 N 1.01 0.38 -0.81 3.60 0.00 -1.41 -2.65 119.26 119.39 2c9d h ALA 39 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2c9d h ALA 39 Cb 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2c9d h ALA 39 CO -0.01 -0.15 0.42 0.00 0.00 0.00 0.00 179.25 179.50 2c9d h ARG 40 N 0.41 1.14 0.01 0.00 3.08 -1.46 -1.07 114.38 116.49 2c9d h ARG 40 Ca 0.11 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2c9d h ARG 40 Cb -0.05 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2c9d h ARG 40 CO -0.02 0.85 -0.00 0.87 -1.07 0.00 0.00 179.97 180.59 2c9d h LYS 41 N 1.14 -0.01 -0.98 0.04 1.57 -1.35 -0.46 116.57 116.53 2c9d h LYS 41 Ca 0.28 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 2c9d h LYS 41 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 2c9d h LYS 41 CO -0.04 0.24 0.64 0.28 -0.57 0.00 0.00 179.45 179.99 2c9d h VAL 42 N -0.25 1.16 -0.20 0.50 2.07 -1.37 -0.49 116.25 117.66 2c9d h VAL 42 Ca -0.00 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2c9d h VAL 42 Cb 0.25 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.80 2c9d h VAL 42 CO 0.00 0.22 -0.10 0.00 0.02 0.00 0.00 177.57 177.72 2c9d h ALA 43 N 1.41 0.07 -0.58 1.67 0.00 -0.95 -2.04 119.26 118.84 2c9d h ALA 43 Ca 0.39 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 2c9d h ALA 43 Cb 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2c9d h ALA 43 CO -0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 179.25 178.57 2c9d h ALA 44 N 1.10 0.85 -0.93 0.00 0.00 -0.56 -1.46 119.26 118.25 2c9d h ALA 44 Ca 0.11 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2c9d h ALA 44 Cb 0.24 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 2c9d h ALA 44 CO -0.25 0.66 0.61 0.78 0.00 0.00 0.00 179.25 181.05 2c9d h GLY 45 N 0.98 1.36 -0.66 0.00 0.00 -0.90 -2.16 103.07 101.69 2c9d h GLY 45 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2c9d h GLY 45 CO 0.03 0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.94 2c9d n GLY 47 N 0.83 0.75 3.29 0.00 0.00 -0.81 -3.82 105.19 105.43 2c9d n GLY 47 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 2c9d n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 48 N 0.00 6.13 0.35 0.99 1.02 -0.57 -4.79 118.68 121.81 2c9d s LEU 48 Ca 0.00 -1.89 0.21 0.00 0.02 0.00 0.00 54.13 52.47 2c9d s LEU 48 Cb 0.00 -2.17 0.21 0.00 0.02 0.00 0.00 46.19 44.25 2c9d s LEU 48 CO 0.00 -0.80 1.45 0.44 0.02 0.00 0.00 176.35 177.45 2c9d h ASP 49 N 8.70 0.00 -2.14 2.29 3.32 -1.87 -3.12 116.42 123.60 2c9d h ASP 49 Ca -0.25 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.31 2c9d h ASP 49 Cb 1.09 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.30 2c9d h ASP 49 CO 0.98 0.13 -0.85 -0.62 -1.72 0.00 0.00 179.24 177.16 2c9d s ASP 50 N -6.10 1.17 0.62 6.45 3.68 -1.26 -4.94 116.67 116.29 2c9d s ASP 50 Ca 0.05 -2.55 -0.11 0.00 2.13 0.00 0.00 52.55 52.07 2c9d s ASP 50 Cb 0.06 0.05 -0.03 0.00 -1.45 0.00 0.00 42.92 41.55 2c9d s ASP 50 CO 0.71 -0.18 1.03 -2.84 0.13 0.00 0.00 175.17 174.01 2c9d s PRO 51 N 0.51 3.52 -0.25 4.34 0.02 -1.26 -5.01 135.00 136.87 2c9d s PRO 51 Ca 0.28 0.70 -0.29 0.00 0.02 0.00 0.00 61.00 61.71 2c9d s PRO 51 Cb -0.03 -2.09 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 2c9d s PRO 51 CO -0.12 -0.60 1.23 0.99 -0.33 0.00 0.00 177.00 178.17 2c9d s THR 52 N -3.18 4.29 -0.15 0.99 2.01 -0.98 -4.94 115.64 113.69 2c9d s THR 52 Ca 0.55 1.50 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 2c9d s THR 52 Cb -0.11 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 2c9d s THR 52 CO 0.53 -0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.32 2c9d s VAL 53 N 3.87 2.99 -0.04 3.82 1.01 -1.26 0.58 120.40 131.38 2c9d s VAL 53 Ca 0.53 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2c9d s VAL 53 Cb -0.18 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2c9d s VAL 53 CO 0.18 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 175.00 2c9d s VAL 54 N 0.59 0.91 -0.05 2.92 1.01 -0.00 -4.99 120.40 120.79 2c9d s VAL 54 Ca -0.08 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 2c9d s VAL 54 Cb -0.16 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2c9d s VAL 54 CO 0.03 0.29 0.08 -0.13 0.00 0.00 0.00 175.10 175.37 2c9d s ARG 55 N 0.45 3.13 0.32 2.72 1.81 -1.26 -1.79 118.95 124.33 2c9d s ARG 55 Ca -0.08 -0.39 0.05 0.00 -1.72 0.00 0.00 55.73 53.58 2c9d s ARG 55 Cb -0.12 -2.91 -0.06 0.00 -0.45 0.00 0.00 34.95 31.40 2c9d s ARG 55 CO 0.02 0.69 0.02 0.14 -0.68 0.00 0.00 175.30 175.48 2c9d s VAL 56 N -1.10 1.41 0.01 3.52 -7.23 -0.77 -4.95 120.40 111.30 2c9d s VAL 56 Ca 0.19 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2c9d s VAL 56 Cb -0.12 -2.70 -0.26 0.00 0.56 0.00 0.00 36.38 33.86 2c9d s VAL 56 CO 0.10 -0.10 0.89 -0.07 -0.31 0.00 0.00 175.10 175.61 2c9d h LEU 57 N 2.13 0.25 -8.38 1.32 4.07 -1.95 -1.65 115.31 111.11 2c9d h LEU 57 Ca -0.41 -0.35 -0.17 0.00 0.08 0.00 0.00 57.88 57.03 2c9d h LEU 57 Cb 1.24 -0.08 -0.14 0.00 1.08 0.00 0.00 40.66 42.75 2c9d h LEU 57 CO 0.70 1.29 -0.58 -0.83 -1.08 0.00 0.00 178.44 177.95 2c9d s GLY 58 N -4.95 0.94 0.28 0.83 0.00 -1.26 -3.51 107.32 99.65 2c9d s GLY 58 Ca -0.07 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.28 2c9d s GLY 58 CO 0.84 -1.26 1.78 0.00 0.00 0.00 0.00 173.10 174.46 2c9d h ALA 59 N 2.77 1.18 -0.43 3.20 0.00 -1.94 -2.71 119.26 121.33 2c9d h ALA 59 Ca -0.34 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.39 2c9d h ALA 59 Cb 1.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2c9d h ALA 59 CO 0.56 0.53 0.29 0.82 0.00 0.00 0.00 179.25 181.46 2c9d h ILE 60 N 0.62 0.89 -0.00 0.00 1.08 -1.97 -1.60 117.51 116.52 2c9d h ILE 60 Ca 0.12 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2c9d h ILE 60 Cb 0.46 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2c9d h ILE 60 CO 0.02 0.04 -0.04 -0.62 -0.69 0.00 0.00 178.15 176.86 2c9d n GLU 61 N -4.46 0.72 0.06 2.37 4.71 -1.02 -4.20 120.64 118.82 2c9d n GLU 61 Ca 0.06 -0.13 -0.13 0.00 -0.01 0.00 0.00 57.16 56.96 2c9d n GLU 61 Cb 0.35 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 29.20 2c9d n GLU 61 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 2c9d h ILE 62 N 0.31 1.07 -0.69 -3.67 2.04 -1.37 -3.29 117.51 111.91 2c9d h ILE 62 Ca 0.00 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.25 2c9d h ILE 62 Cb 0.25 1.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 2c9d h ILE 62 CO 0.00 0.17 0.36 -0.65 0.00 0.00 0.00 178.15 178.03 2c9d h PRO 63 N -0.46 0.62 0.00 2.37 0.11 -1.77 -1.62 132.00 131.25 2c9d h PRO 63 Ca -0.01 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2c9d h PRO 63 Cb 0.38 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2c9d h PRO 63 CO 0.02 0.41 -0.20 -0.24 -0.21 0.00 0.00 178.00 177.78 2c9d h VAL 64 N 0.63 0.94 0.00 3.15 3.04 -1.84 -2.00 116.25 120.18 2c9d h VAL 64 Ca 0.33 -0.75 -0.21 0.00 -1.01 0.00 0.00 66.70 65.05 2c9d h VAL 64 Cb 0.29 1.43 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 2c9d h VAL 64 CO -0.23 0.20 -1.26 0.58 -1.01 0.00 0.00 177.57 175.85 2c9d h VAL 65 N 0.00 0.98 -0.35 1.51 2.07 -1.45 -3.28 116.25 115.73 2c9d h VAL 65 Ca -0.00 -2.63 -0.13 0.00 0.82 0.00 0.00 66.70 64.77 2c9d h VAL 65 Cb 0.41 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 2c9d h VAL 65 CO 0.03 0.56 -0.29 0.00 0.02 0.00 0.00 177.57 177.88 2c9d h ALA 66 N 1.19 0.82 -0.33 1.67 0.00 -0.96 -2.22 119.26 119.42 2c9d h ALA 66 Ca -0.14 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.43 2c9d h ALA 66 Cb 1.74 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.34 2c9d h ALA 66 CO 0.08 0.64 0.01 0.37 0.00 0.00 0.00 179.25 180.35 2c9d h GLN 67 N 0.64 0.11 -0.47 0.00 4.15 -1.46 0.42 115.11 118.50 2c9d h GLN 67 Ca 0.08 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 2c9d h GLN 67 Cb 0.81 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 2c9d h GLN 67 CO 0.07 0.07 0.09 1.49 -1.93 0.00 0.00 178.83 178.62 2c9d h GLU 68 N 0.11 0.76 0.00 1.69 4.57 -1.59 -2.94 114.58 117.18 2c9d h GLU 68 Ca 0.16 -0.20 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2c9d h GLU 68 Cb 0.21 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2c9d h GLU 68 CO -0.26 0.77 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.04 2c9d h LEU 69 N 0.64 0.00 -1.77 1.64 3.38 -1.05 -2.90 115.31 115.25 2c9d h LEU 69 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2c9d h LEU 69 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2c9d h LEU 69 CO 0.01 0.24 -0.02 0.00 0.09 0.00 0.00 178.44 178.75 2c9d h ALA 70 N 1.76 1.02 0.00 1.53 0.00 -0.73 -2.97 119.26 119.88 2c9d h ALA 70 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2c9d h ALA 70 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2c9d h ALA 70 CO 0.03 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.85 2c9d n ARG 71 N -3.14 0.42 -1.10 0.00 1.74 -1.09 -3.92 116.66 109.57 2c9d n ARG 71 Ca -0.00 0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 57.10 2c9d n ARG 71 Cb 0.26 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2c9d n ARG 71 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2c9d n ASN 72 N -1.26 0.11 -4.09 0.55 2.04 -1.13 -5.12 115.26 106.35 2c9d n ASN 72 Ca 0.13 -1.90 -0.08 0.00 -0.44 0.00 0.00 54.58 52.29 2c9d n ASN 72 Cb 0.20 -0.06 -0.10 0.00 -2.53 0.00 0.00 39.78 37.29 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 -0.44 0.00 0.00 177.26 175.82 2c9d s HIS 73 N 0.00 0.58 -0.52 -2.53 3.76 -1.17 -5.01 115.29 110.41 2c9d s HIS 73 Ca 0.15 -0.94 0.23 0.00 -0.15 0.00 0.00 55.06 54.35 2c9d s HIS 73 Cb 0.17 -0.40 0.15 0.00 1.11 0.00 0.00 32.58 33.62 2c9d s HIS 73 CO -0.07 -0.29 1.14 -0.25 -0.85 0.00 0.00 174.74 174.42 2c9d n ASP 74 N 0.31 0.69 -3.64 1.40 8.00 0.04 -4.86 116.55 118.49 2c9d n ASP 74 Ca -0.15 0.07 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 2c9d n ASP 74 Cb 0.60 0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 42.10 2c9d n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c9d s ALA 75 N -3.23 -1.71 -0.06 2.24 0.00 -1.14 -4.40 121.76 113.47 2c9d s ALA 75 Ca 0.03 1.97 0.04 0.00 0.00 0.00 0.00 51.96 54.00 2c9d s ALA 75 Cb 0.13 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.10 2c9d s ALA 75 CO 0.77 -0.33 -0.18 0.08 0.00 0.00 0.00 175.76 176.10 2c9d s VAL 76 N 0.46 1.55 -0.17 0.00 1.01 -0.82 -1.64 120.40 120.78 2c9d s VAL 76 Ca -0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 2c9d s VAL 76 Cb -0.05 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 2c9d s VAL 76 CO -0.01 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 2c9d s VAL 77 N 0.20 3.24 -0.19 2.92 1.01 -0.26 -0.74 120.40 126.58 2c9d s VAL 77 Ca -0.09 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2c9d s VAL 77 Cb -0.14 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2c9d s VAL 77 CO 0.04 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.68 2c9d s ALA 78 N 0.89 3.38 -0.02 5.51 0.00 -0.89 -1.20 121.76 129.43 2c9d s ALA 78 Ca -0.02 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.21 2c9d s ALA 78 Cb -0.15 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 2c9d s ALA 78 CO 0.00 0.13 -0.16 -0.51 0.00 0.00 0.00 175.76 175.22 2c9d s LEU 79 N 0.47 2.01 0.00 0.00 1.43 -0.47 -0.79 118.68 121.33 2c9d s LEU 79 Ca 0.03 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2c9d s LEU 79 Cb -0.13 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.28 2c9d s LEU 79 CO 0.01 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.38 2c9d n GLY 80 N 2.76 -0.01 2.85 -3.19 0.00 -1.16 -1.67 105.19 104.76 2c9d n GLY 80 Ca -0.15 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 2c9d n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 81 N -2.00 0.46 -0.19 1.61 1.01 -1.26 -0.22 120.40 119.81 2c9d s VAL 81 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2c9d s VAL 81 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.88 2c9d s VAL 81 CO 0.00 0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 174.45 2c9d s VAL 82 N 1.21 2.11 -0.13 2.92 1.01 -0.20 -4.91 120.40 122.41 2c9d s VAL 82 Ca -0.07 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 2c9d s VAL 82 Cb -0.14 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 2c9d s VAL 82 CO -0.02 0.49 -0.09 -0.63 0.00 0.00 0.00 175.10 174.85 2c9d s ILE 83 N 1.28 3.45 0.46 2.22 1.01 -1.26 -2.37 121.20 125.99 2c9d s ILE 83 Ca 0.04 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 2c9d s ILE 83 Cb -0.14 -2.47 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 2c9d s ILE 83 CO -0.12 0.52 1.29 -0.60 0.00 0.00 0.00 174.94 176.03 2c9d s ARG 84 N 0.24 3.67 0.00 2.79 3.52 -1.13 -4.96 118.95 123.09 2c9d s ARG 84 Ca -0.06 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 2c9d s ARG 84 Cb -0.15 -2.53 0.00 0.00 -1.56 0.00 0.00 34.95 30.71 2c9d s ARG 84 CO 0.04 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.22 2c9d n GLY 85 N 0.62 4.04 0.39 8.12 0.00 -1.26 -4.93 105.19 112.17 2c9d n GLY 85 Ca 0.06 -1.65 0.07 0.00 0.00 0.00 0.00 46.02 44.51 2c9d n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2c9d n GLN 86 N 0.00 1.63 -4.38 1.61 6.02 -1.26 -4.99 117.38 116.01 2c9d n GLN 86 Ca 0.00 -0.90 -0.24 0.00 -0.01 0.00 0.00 57.00 55.86 2c9d n GLN 86 Cb 0.00 -1.23 -0.09 0.00 1.02 0.00 0.00 30.24 29.94 2c9d n GLN 86 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2c9d s THR 87 N -1.61 2.84 -2.00 5.09 -4.23 -1.26 -5.01 115.64 109.47 2c9d s THR 87 Ca 0.13 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2c9d s THR 87 Cb 0.12 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.37 2c9d s THR 87 CO 0.32 -0.33 0.43 -2.65 -0.54 0.00 0.00 174.62 171.84 2c9d n PRO 88 N -0.81 0.33 -0.35 3.99 -0.02 -1.26 -3.70 135.00 133.18 2c9d n PRO 88 Ca -0.05 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.40 2c9d n PRO 88 Cb 0.60 -1.07 0.10 0.00 -0.02 0.00 0.00 33.50 33.12 2c9d n PRO 88 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2c9d h HIS 89 N 0.00 1.17 -0.85 6.00 2.76 -1.98 -2.52 115.15 119.73 2c9d h HIS 89 Ca 0.00 0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.39 2c9d h HIS 89 Cb 0.00 -0.39 -0.11 0.00 1.55 0.00 0.00 27.41 28.45 2c9d h HIS 89 CO 0.00 0.73 0.36 0.35 -1.30 0.00 0.00 177.93 178.07 2c9d h PHE 90 N 1.25 0.60 -0.51 5.26 3.57 -1.93 -0.50 116.94 124.68 2c9d h PHE 90 Ca 0.35 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.92 2c9d h PHE 90 Cb -0.13 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 2c9d h PHE 90 CO -0.01 -0.00 0.34 -0.44 -2.23 0.00 0.00 178.31 175.97 2c9d h ASP 91 N 0.43 0.49 0.81 0.41 3.32 -1.75 -3.05 116.42 117.08 2c9d h ASP 91 Ca 0.51 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.37 2c9d h ASP 91 Cb 0.90 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 2c9d h ASP 91 CO -0.49 0.33 -1.30 1.88 -1.72 0.00 0.00 179.24 177.95 2c9d h TYR 92 N 0.57 0.00 -0.15 4.55 0.05 -1.17 -2.86 116.97 117.95 2c9d h TYR 92 Ca 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.97 2c9d h TYR 92 Cb 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 2c9d h TYR 92 CO -0.00 0.68 0.01 0.28 -1.05 0.00 0.00 178.16 178.08 2c9d h VAL 93 N 0.00 1.24 -0.36 -2.88 2.07 -1.40 -2.90 116.25 112.01 2c9d h VAL 93 Ca -0.15 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 2c9d h VAL 93 Cb 1.65 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2c9d h VAL 93 CO 0.06 0.24 -0.03 0.00 0.02 0.00 0.00 177.57 177.86 2c9d h ASP 95 N 0.55 0.35 -0.13 0.00 3.32 -1.48 -2.04 116.42 116.99 2c9d h ASP 95 Ca 0.11 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.16 2c9d h ASP 95 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2c9d h ASP 95 CO 0.02 0.26 0.02 0.00 -1.72 0.00 0.00 179.24 177.82 2c9d h ALA 96 N 1.11 0.13 -0.55 3.45 0.00 -1.38 -2.08 119.26 119.93 2c9d h ALA 96 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2c9d h ALA 96 Cb -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2c9d h ALA 96 CO -0.02 -0.43 0.36 0.28 0.00 0.00 0.00 179.25 179.44 2c9d h VAL 97 N 0.08 1.13 0.12 0.00 2.07 -1.41 0.68 116.25 118.91 2c9d h VAL 97 Ca 0.06 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2c9d h VAL 97 Cb 0.05 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2c9d h VAL 97 CO -0.08 0.13 -0.18 0.74 0.02 0.00 0.00 177.57 178.20 2c9d h THR 98 N 0.73 0.58 -0.35 2.57 2.02 -1.25 -1.88 112.91 115.33 2c9d h THR 98 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2c9d h THR 98 Cb -0.07 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2c9d h THR 98 CO -0.05 0.00 0.20 1.56 0.37 0.00 0.00 175.52 177.60 2c9d h GLN 99 N -0.36 0.48 0.49 6.66 4.20 -1.13 -2.82 115.11 122.63 2c9d h GLN 99 Ca 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2c9d h GLN 99 Cb 0.37 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2c9d h GLN 99 CO -0.09 0.39 -0.24 0.78 -0.67 0.00 0.00 178.83 179.00 2c9d h GLY 100 N 0.45 -0.69 0.99 3.46 0.00 -0.79 -2.31 103.07 104.18 2c9d h GLY 100 Ca 0.12 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 2c9d h GLY 100 CO -0.02 -0.25 0.33 1.41 0.00 0.00 0.00 176.54 178.01 2c9d h LEU 101 N -0.76 0.69 -0.59 3.11 3.38 -1.41 -1.18 115.31 118.55 2c9d h LEU 101 Ca -0.07 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.86 2c9d h LEU 101 Cb 0.55 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2c9d h LEU 101 CO 0.11 0.56 0.36 0.74 0.09 0.00 0.00 178.44 180.30 2c9d h THR 102 N 0.77 1.05 -0.45 0.22 2.02 -1.53 -1.77 112.91 113.22 2c9d h THR 102 Ca 0.20 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 67.05 2c9d h THR 102 Cb 0.01 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2c9d h THR 102 CO -0.04 0.13 -0.08 -0.09 0.37 0.00 0.00 175.52 175.81 2c9d h ARG 103 N 0.70 0.79 -0.27 6.66 2.43 -1.04 -3.01 114.38 120.64 2c9d h ARG 103 Ca 0.24 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2c9d h ARG 103 Cb 0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2c9d h ARG 103 CO -0.11 0.86 -0.04 0.28 -1.51 0.00 0.00 179.97 179.44 2c9d h VAL 104 N 0.72 1.27 -0.73 0.20 2.07 -0.86 -2.21 116.25 116.72 2c9d h VAL 104 Ca 0.13 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.67 2c9d h VAL 104 Cb 0.56 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 2c9d h VAL 104 CO 0.03 0.32 0.44 0.77 0.02 0.00 0.00 177.57 179.16 2c9d h SER 105 N 0.26 0.69 0.78 0.57 4.64 -1.29 -2.27 113.55 116.94 2c9d h SER 105 Ca 0.07 0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.19 2c9d h SER 105 Cb 0.50 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 2c9d h SER 105 CO 0.02 0.46 -0.98 -0.07 -0.87 0.00 0.00 176.83 175.39 2c9d h LEU 106 N 0.83 0.15 -0.55 5.97 3.38 -1.53 0.31 115.31 123.86 2c9d h LEU 106 Ca 0.31 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2c9d h LEU 106 Cb 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2c9d h LEU 106 CO -0.15 1.03 0.27 0.44 0.09 0.00 0.00 178.44 180.12 2c9d h ASP 107 N 0.04 0.71 -0.01 -0.43 3.45 -1.22 -3.26 116.42 115.71 2c9d h ASP 107 Ca -0.04 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.30 2c9d h ASP 107 Cb 1.67 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 40.26 2c9d h ASP 107 CO 0.14 0.63 -0.68 -1.54 -1.57 0.00 0.00 179.24 176.22 2c9d n SER 108 N -4.57 1.53 -3.73 6.45 3.41 -0.87 -4.99 113.62 110.85 2c9d n SER 108 Ca 0.03 -1.27 -0.24 0.00 -0.26 0.00 0.00 58.87 57.13 2c9d n SER 108 Cb 0.11 0.71 0.04 0.00 -0.26 0.00 0.00 64.21 64.81 2c9d n SER 108 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2c9d n SER 109 N -0.67 -3.06 -3.97 4.04 7.64 0.02 -5.01 113.62 112.61 2c9d n SER 109 Ca 0.07 -0.75 -0.21 0.00 1.01 0.00 0.00 58.87 58.98 2c9d n SER 109 Cb 0.39 -4.22 -0.16 0.00 -1.01 0.00 0.00 64.21 59.21 2c9d n SER 109 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2c9d s THR 110 N -3.48 0.79 -0.04 0.44 2.01 -0.75 -5.04 115.64 109.57 2c9d s THR 110 Ca 0.29 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.68 2c9d s THR 110 Cb -0.14 -0.73 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 2c9d s THR 110 CO 0.80 0.26 1.84 -2.16 -0.69 0.00 0.00 174.62 174.67 2c9d s PRO 111 N 0.52 4.04 -0.67 4.92 0.04 -1.26 -4.41 135.00 138.18 2c9d s PRO 111 Ca -0.08 2.32 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 2c9d s PRO 111 Cb -0.12 -4.10 0.17 0.00 0.04 0.00 0.00 34.50 30.49 2c9d s PRO 111 CO 0.01 -1.04 0.52 0.42 0.04 0.00 0.00 177.00 176.96 2c9d s ILE 112 N 4.68 4.28 0.36 0.56 -1.09 -1.26 -1.95 121.20 126.78 2c9d s ILE 112 Ca 0.82 -2.72 -0.28 0.00 -2.23 0.00 0.00 60.65 56.24 2c9d s ILE 112 Cb -0.37 -3.74 -0.11 0.00 -1.58 0.00 0.00 42.46 36.66 2c9d s ILE 112 CO 0.35 -0.91 1.47 0.00 -1.23 0.00 0.00 174.94 174.63 2c9d s ALA 113 N 0.12 3.59 -0.44 9.38 0.00 0.08 -4.90 121.76 129.58 2c9d s ALA 113 Ca 0.16 1.52 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 2c9d s ALA 113 Cb -0.18 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.41 2c9d s ALA 113 CO -0.05 -0.98 0.33 1.21 0.00 0.00 0.00 175.76 176.28 2c9d s ASN 114 N -0.10 5.96 -0.32 0.00 2.47 -1.26 -2.09 114.94 119.60 2c9d s ASN 114 Ca 0.54 -1.32 0.07 0.00 0.42 0.00 0.00 52.86 52.57 2c9d s ASN 114 Cb -0.46 -2.11 0.45 0.00 -1.45 0.00 0.00 41.25 37.69 2c9d s ASN 114 CO 0.59 -0.58 1.17 0.61 -3.72 0.00 0.00 177.10 175.17 2c9d n GLY 115 N 5.10 6.17 3.43 1.21 0.00 0.03 -4.87 105.19 116.24 2c9d n GLY 115 Ca -0.12 -2.64 -0.41 0.00 0.00 0.00 0.00 46.02 42.86 2c9d n GLY 115 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c9d s VAL 116 N -4.75 4.88 0.40 1.61 1.01 -1.24 -2.99 120.40 119.31 2c9d s VAL 116 Ca 0.50 -0.68 -0.26 0.00 0.00 0.00 0.00 61.98 61.54 2c9d s VAL 116 Cb 0.41 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 2c9d s VAL 116 CO -0.01 -0.20 1.22 -0.76 0.00 0.00 0.00 175.10 175.35 2c9d s LEU 117 N 1.62 4.22 -0.30 3.92 1.43 0.69 -4.93 118.68 125.33 2c9d s LEU 117 Ca 0.04 2.47 -0.03 0.00 -1.03 0.00 0.00 54.13 55.58 2c9d s LEU 117 Cb -0.19 -3.95 0.10 0.00 0.03 0.00 0.00 46.19 42.19 2c9d s LEU 117 CO 0.08 -0.72 0.13 0.42 0.23 0.00 0.00 176.35 176.49 2c9d s THR 118 N -1.33 0.12 0.36 5.49 -4.23 -1.26 -1.03 115.64 113.75 2c9d s THR 118 Ca 0.56 -0.95 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 2c9d s THR 118 Cb -0.34 -1.12 -0.07 0.00 1.34 0.00 0.00 72.50 72.32 2c9d s THR 118 CO 0.43 -0.74 -0.04 0.42 -0.54 0.00 0.00 174.62 174.15 2c9d s THR 119 N 1.94 2.01 -0.04 3.99 -4.23 -1.00 -5.03 115.64 113.28 2c9d s THR 119 Ca 0.10 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2c9d s THR 119 Cb -0.17 -2.76 -0.24 0.00 1.34 0.00 0.00 72.50 70.67 2c9d s THR 119 CO -0.32 -0.13 0.68 0.78 -0.54 0.00 0.00 174.62 175.09 2c9d h ASN 120 N 1.97 0.16 -3.96 3.99 2.35 -1.95 -2.98 115.58 115.15 2c9d h ASN 120 Ca -0.42 -0.30 -0.39 0.00 -0.55 0.00 0.00 56.30 54.64 2c9d h ASN 120 Cb 1.24 -0.05 -0.14 0.00 0.05 0.00 0.00 38.32 39.42 2c9d h ASN 120 CO 0.74 1.26 -0.63 0.42 -1.65 0.00 0.00 177.43 177.57 2c9d s THR 121 N -2.60 0.89 0.22 2.81 -4.23 -1.26 -4.48 115.64 107.00 2c9d s THR 121 Ca -0.09 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.45 2c9d s THR 121 Cb 0.08 -2.54 -0.06 0.00 1.34 0.00 0.00 72.50 71.31 2c9d s THR 121 CO 0.82 -0.15 1.53 -0.08 -0.54 0.00 0.00 174.62 176.20 2c9d h GLU 122 N 2.37 0.22 -0.26 3.99 4.81 -1.97 -3.17 114.58 120.56 2c9d h GLU 122 Ca -0.39 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2c9d h GLU 122 Cb 1.23 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 2c9d h GLU 122 CO 0.64 0.80 0.00 1.49 -0.73 0.00 0.00 179.01 181.21 2c9d h GLU 123 N 0.15 0.08 -0.76 1.92 4.81 -1.99 -1.93 114.58 116.86 2c9d h GLU 123 Ca -0.01 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2c9d h GLU 123 Cb 1.19 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2c9d h GLU 123 CO 0.10 0.05 0.43 1.96 -0.73 0.00 0.00 179.01 180.82 2c9d h GLN 124 N 0.08 0.74 -0.21 1.92 4.20 -1.98 -1.67 115.11 118.19 2c9d h GLN 124 Ca 0.12 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2c9d h GLN 124 Cb 0.16 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2c9d h GLN 124 CO -0.21 0.49 0.06 0.00 -0.67 0.00 0.00 178.83 178.51 2c9d h ALA 125 N 1.40 0.28 -0.79 3.87 0.00 -1.48 -3.00 119.26 119.54 2c9d h ALA 125 Ca 0.35 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2c9d h ALA 125 Cb 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2c9d h ALA 125 CO -0.21 -0.09 0.52 -0.07 0.00 0.00 0.00 179.25 179.39 2c9d h LEU 126 N 0.17 0.71 0.00 0.00 3.38 -0.95 -2.19 115.31 116.44 2c9d h LEU 126 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2c9d h LEU 126 Cb 0.24 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2c9d h LEU 126 CO -0.00 0.45 0.00 -0.67 0.09 0.00 0.00 178.44 178.30 2c9d n ASP 127 N -4.49 0.00 -0.24 -0.43 4.64 -0.66 -3.26 116.55 112.10 2c9d n ASP 127 Ca 0.12 0.31 0.04 0.00 -1.38 0.00 0.00 54.79 53.88 2c9d n ASP 127 Cb 0.26 -0.43 0.08 0.00 -1.04 0.00 0.00 41.12 39.99 2c9d n ASP 127 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2c9d n ARG 128 N -1.43 2.68 -0.02 -0.67 1.74 -0.83 -1.71 116.66 116.41 2c9d n ARG 128 Ca 0.08 -1.92 0.06 0.00 -0.77 0.00 0.00 57.85 55.30 2c9d n ARG 128 Cb 0.26 -1.22 -0.15 0.00 -1.02 0.00 0.00 32.46 30.33 2c9d n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2c9d n ALA 129 N -0.41 2.48 -0.26 7.54 0.00 -1.18 -2.14 120.51 126.53 2c9d n ALA 129 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2c9d n ALA 129 Cb 0.41 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2c9d n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c9d n GLY 130 N 1.52 1.54 3.88 0.00 0.00 -0.92 -3.97 105.19 107.24 2c9d n GLY 130 Ca -0.09 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2c9d n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2c9d s LEU 131 N -0.04 2.94 0.21 0.99 1.43 -1.26 -4.91 118.68 118.04 2c9d s LEU 131 Ca 0.00 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2c9d s LEU 131 Cb 0.00 -4.00 0.58 0.00 0.03 0.00 0.00 46.19 42.80 2c9d s LEU 131 CO 0.00 -1.29 1.00 -2.65 0.23 0.00 0.00 176.35 173.64 2c9d n PRO 132 N -2.98 -0.05 -0.55 1.29 -0.01 -1.26 -0.81 135.00 130.63 2c9d n PRO 132 Ca 0.07 0.94 0.03 0.00 -0.01 0.00 0.00 63.50 64.53 2c9d n PRO 132 Cb 0.57 -1.53 0.20 0.00 -0.01 0.00 0.00 33.50 32.73 2c9d n PRO 132 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 2c9d n THR 133 N -4.74 2.31 -2.79 3.45 -1.04 -1.26 -5.04 114.28 105.17 2c9d n THR 133 Ca 0.17 -2.56 -0.32 0.00 -2.04 0.00 0.00 64.05 59.30 2c9d n THR 133 Cb 0.57 -0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 68.76 2c9d n THR 133 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2c9d s SER 134 N -2.60 6.74 0.23 8.00 0.01 0.01 -4.99 113.70 121.10 2c9d s SER 134 Ca 0.41 1.47 0.12 0.00 1.31 0.00 0.00 55.95 59.25 2c9d s SER 134 Cb 0.36 -2.46 0.08 0.00 0.21 0.00 0.00 66.02 64.21 2c9d s SER 134 CO 0.01 -0.39 1.44 0.00 0.41 0.00 0.00 173.24 174.71 2c9d h ALA 135 N 1.61 0.63 -2.93 1.44 0.00 -1.67 -3.47 119.26 114.87 2c9d h ALA 135 Ca -0.48 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 53.66 2c9d h ALA 135 Cb 1.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 2c9d h ALA 135 CO 0.63 0.89 -0.02 -1.83 0.00 0.00 0.00 179.25 178.92 2c9d s GLU 136 N -3.04 1.90 -0.34 0.00 -1.05 -1.11 -5.07 118.70 110.00 2c9d s GLU 136 Ca 0.01 -1.49 -0.01 0.00 -0.15 0.00 0.00 54.97 53.34 2c9d s GLU 136 Cb 0.10 0.51 0.12 0.00 -0.44 0.00 0.00 34.13 34.42 2c9d s GLU 136 CO 0.77 -0.83 0.18 0.34 0.95 0.00 0.00 175.26 176.67 2c9d s ASP 137 N -3.11 3.32 0.37 0.83 -1.08 -1.26 -2.16 116.67 113.57 2c9d s ASP 137 Ca 0.23 -1.92 0.05 0.00 -0.52 0.00 0.00 52.55 50.39 2c9d s ASP 137 Cb -0.02 -0.50 0.71 0.00 -1.46 0.00 0.00 42.92 41.65 2c9d s ASP 137 CO 0.14 -0.35 1.97 0.11 0.52 0.00 0.00 175.17 177.56 2c9d h LYS 138 N 7.49 0.58 -0.75 4.34 1.79 -1.68 -2.65 116.57 125.69 2c9d h LYS 138 Ca -0.04 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2c9d h LYS 138 Cb 0.98 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 2c9d h LYS 138 CO 0.36 0.47 0.47 0.78 -1.08 0.00 0.00 179.45 180.45 2c9d h GLY 139 N 0.72 1.08 0.63 3.86 0.00 -1.84 -1.33 103.07 106.19 2c9d h GLY 139 Ca 0.15 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 2c9d h GLY 139 CO -0.02 0.42 -0.32 0.00 0.00 0.00 0.00 176.54 176.62 2c9d h ALA 140 N 1.49 0.10 -0.66 3.60 0.00 -1.69 -3.03 119.26 119.07 2c9d h ALA 140 Ca 0.27 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2c9d h ALA 140 Cb -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2c9d h ALA 140 CO -0.05 0.16 0.40 1.96 0.00 0.00 0.00 179.25 181.72 2c9d h GLN 141 N -0.24 0.76 -0.51 0.00 4.20 -1.38 -2.16 115.11 115.79 2c9d h GLN 141 Ca -0.03 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2c9d h GLN 141 Cb 0.99 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2c9d h GLN 141 CO 0.06 0.51 0.31 0.00 -0.67 0.00 0.00 178.83 179.04 2c9d h ALA 142 N 1.29 0.65 -0.53 3.87 0.00 -1.33 -1.60 119.26 121.60 2c9d h ALA 142 Ca 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2c9d h ALA 142 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2c9d h ALA 142 CO -0.11 0.13 0.10 1.15 0.00 0.00 0.00 179.25 180.52 2c9d h THR 143 N 0.68 1.25 -0.44 0.00 2.02 -1.38 -1.31 112.91 113.73 2c9d h THR 143 Ca 0.18 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 2c9d h THR 143 Cb -0.01 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2c9d h THR 143 CO -0.03 0.34 0.27 0.58 0.37 0.00 0.00 175.52 177.04 2c9d h VAL 144 N 0.77 1.13 -0.27 3.16 2.07 -1.28 -1.54 116.25 120.28 2c9d h VAL 144 Ca 0.16 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 2c9d h VAL 144 Cb 0.39 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2c9d h VAL 144 CO 0.01 0.13 -0.25 0.00 0.02 0.00 0.00 177.57 177.48 2c9d h ALA 145 N 1.69 0.40 0.09 1.67 0.00 -0.74 -2.82 119.26 119.54 2c9d h ALA 145 Ca 0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 145 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2c9d h ALA 145 CO -0.03 0.38 -0.04 0.00 0.00 0.00 0.00 179.25 179.56 2c9d h ALA 146 N 0.70 -0.11 -0.79 0.00 0.00 -0.93 -2.64 119.26 115.48 2c9d h ALA 146 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2c9d h ALA 146 Cb 0.81 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2c9d h ALA 146 CO 0.06 -0.44 0.41 -0.07 0.00 0.00 0.00 179.25 179.21 2c9d h LEU 147 N -0.37 1.01 -0.32 0.00 3.38 -1.38 -1.74 115.31 115.88 2c9d h LEU 147 Ca -0.01 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2c9d h LEU 147 Cb 0.31 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2c9d h LEU 147 CO 0.02 0.83 -0.36 0.00 0.09 0.00 0.00 178.44 179.02 2c9d h ALA 148 N 1.33 0.48 -0.26 1.53 0.00 -1.54 -2.58 119.26 118.21 2c9d h ALA 148 Ca 0.28 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2c9d h ALA 148 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2c9d h ALA 148 CO -0.04 0.56 -0.28 1.15 0.00 0.00 0.00 179.25 180.64 2c9d h THR 149 N 0.59 1.27 -0.54 0.00 2.02 -1.28 -1.93 112.91 113.05 2c9d h THR 149 Ca 0.05 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.87 2c9d h THR 149 Cb 0.95 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 2c9d h THR 149 CO 0.09 0.43 0.28 0.00 0.37 0.00 0.00 175.52 176.68 2c9d h ALA 150 N 1.24 0.70 -0.62 6.16 0.00 -1.31 -1.84 119.26 123.59 2c9d h ALA 150 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2c9d h ALA 150 Cb 0.73 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2c9d h ALA 150 CO 0.06 0.24 0.08 -0.07 0.00 0.00 0.00 179.25 179.55 2c9d h LEU 151 N 0.73 0.99 -0.06 0.00 3.38 -1.20 -1.68 115.31 117.47 2c9d h LEU 151 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2c9d h LEU 151 Cb 0.08 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2c9d h LEU 151 CO -0.03 1.00 0.03 0.74 0.09 0.00 0.00 178.44 180.27 2c9d h THR 152 N 0.96 1.11 -0.65 0.22 2.02 -1.25 -2.26 112.91 113.07 2c9d h THR 152 Ca 0.19 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2c9d h THR 152 Cb 0.45 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2c9d h THR 152 CO 0.02 0.10 0.42 -0.07 0.37 0.00 0.00 175.52 176.35 2c9d h LEU 153 N -0.03 0.75 -0.78 2.58 3.38 -1.25 -0.70 115.31 119.26 2c9d h LEU 153 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2c9d h LEU 153 Cb 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 2c9d h LEU 153 CO -0.00 0.55 0.49 -0.09 0.09 0.00 0.00 178.44 179.47 2c9d h ARG 154 N 0.88 0.90 -0.04 1.13 9.65 -1.12 -1.38 114.38 124.41 2c9d h ARG 154 Ca 0.24 -0.05 -0.22 0.00 -1.10 0.00 0.00 59.98 58.84 2c9d h ARG 154 Cb -0.09 -0.20 0.02 0.00 -1.39 0.00 0.00 29.97 28.30 2c9d h ARG 154 CO -0.05 0.60 -0.83 1.49 2.80 0.00 0.00 179.97 183.98 2c9d h GLU 155 N 0.93 0.64 -0.57 0.20 4.57 -0.74 -3.29 114.58 116.32 2c9d h GLU 155 Ca 0.32 -0.63 -0.04 0.00 -1.18 0.00 0.00 59.36 57.82 2c9d h GLU 155 Cb 0.06 0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2c9d h GLU 155 CO -0.13 1.24 0.18 -0.07 -1.18 0.00 0.00 179.01 179.05 2c9d h LEU 156 N 0.29 0.83-10.44 1.64 3.38 -1.10 -3.46 115.31 106.45 2c9d h LEU 156 Ca -0.09 -0.20 -0.42 0.00 0.09 0.00 0.00 57.88 57.25 2c9d h LEU 156 Cb 1.49 -0.22 0.18 0.00 0.09 0.00 0.00 40.66 42.21 2c9d h LEU 156 CO 0.17 0.82 0.17 -0.13 0.09 0.00 0.00 178.44 179.56 2c9d s ARG 157 N -5.42 -0.84 -0.15 1.13 0.52 -0.53 -4.91 118.95 108.75 2c9d s ARG 157 Ca -0.13 -0.05 -0.29 0.00 -0.52 0.00 0.00 55.73 54.74 2c9d s ARG 157 Cb 0.13 -1.64 -0.05 0.00 0.52 0.00 0.00 34.95 33.91 2c9d s ARG 157 CO 0.80 -3.46 1.88 0.00 0.02 0.00 0.00 175.30 174.54 2c9d s ALA 158 N -3.10 3.20 0.15 2.13 0.00 -1.26 -4.98 121.76 117.90 2c9d s ALA 158 Ca 0.71 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 2c9d s ALA 158 Cb -0.10 -3.91 0.01 0.00 0.00 0.00 0.00 23.12 19.12 2c9d s ALA 158 CO 0.56 -2.08 0.35 -3.38 0.00 0.00 0.00 175.76 171.21 2c9d s HIS 159 N 5.87 0.08 -0.63 0.00 -3.43 -1.26 -5.11 115.29 110.79 2c9d s HIS 159 Ca 0.84 -0.44 0.05 0.00 -0.80 0.00 0.00 55.06 54.72 2c9d s HIS 159 Cb -0.32 0.13 0.04 0.00 -1.43 0.00 0.00 32.58 31.00 2c9d s HIS 159 CO 0.34 -0.73 0.66 -1.13 -2.00 0.00 0.00 174.74 171.88