#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 -0.07 0.38 2.24 0.00 -1.26 -4.34 120.51 117.47 2c9d n ALA 15 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2c9d n ALA 15 Cb 0.00 -1.04 0.47 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.31 0.57 -0.13 0.00 3.41 -1.25 -2.70 113.62 113.22 2c9d n SER 16 Ca -0.04 0.65 0.10 0.00 -0.26 0.00 0.00 58.87 59.32 2c9d n SER 16 Cb 0.32 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.41 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 -0.66 3.79 5.00 0.00 -1.26 -4.91 105.19 107.01 2c9d n GLY 17 Ca 0.02 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2c9d n GLY 17 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c9d s VAL 18 N -2.77 4.31 -0.40 1.61 -7.23 -1.10 -5.03 120.40 109.79 2c9d s VAL 18 Ca 0.10 1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 61.82 2c9d s VAL 18 Cb 0.16 -3.91 0.04 0.00 0.56 0.00 0.00 36.38 33.23 2c9d s VAL 18 CO 0.75 0.07 0.25 -0.13 -0.31 0.00 0.00 175.10 175.73 2c9d s ARG 19 N -2.26 2.82 -0.08 4.82 0.52 -1.26 -5.01 118.95 118.50 2c9d s ARG 19 Ca 0.51 -1.16 -0.05 0.00 -0.52 0.00 0.00 55.73 54.51 2c9d s ARG 19 Cb -0.16 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.45 2c9d s ARG 19 CO 0.21 -0.78 0.15 -1.17 0.02 0.00 0.00 175.30 173.73 2c9d s LEU 20 N 1.56 4.34 0.02 2.53 2.96 -1.26 -0.88 118.68 127.95 2c9d s LEU 20 Ca 0.03 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.39 2c9d s LEU 20 Cb -0.20 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 2c9d s LEU 20 CO 0.06 0.36 -0.12 0.00 -1.32 0.00 0.00 176.35 175.34 2c9d s ALA 21 N -1.12 0.99 -0.09 5.97 0.00 -0.67 -2.30 121.76 124.54 2c9d s ALA 21 Ca 0.19 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.49 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 0.09 0.20 -0.09 0.42 0.00 0.00 0.00 175.76 176.37 2c9d s ILE 22 N -0.65 1.07 -0.17 0.00 1.01 0.19 -1.11 121.20 121.55 2c9d s ILE 22 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2c9d s ILE 22 Cb -0.06 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.37 2c9d s ILE 22 CO 0.00 0.36 -0.19 0.54 0.00 0.00 0.00 174.94 175.65 2c9d s VAL 23 N 1.29 2.18 -0.03 2.92 0.11 -0.31 -0.81 120.40 125.75 2c9d s VAL 23 Ca -0.03 -0.92 0.02 0.00 -2.93 0.00 0.00 61.98 58.13 2c9d s VAL 23 Cb -0.14 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.82 2c9d s VAL 23 CO -0.04 0.54 -0.09 0.00 -3.33 0.00 0.00 175.10 172.18 2c9d s ALA 24 N 1.11 0.90 0.58 1.54 0.00 -0.74 -1.24 121.76 123.91 2c9d s ALA 24 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.53 2c9d s ALA 24 Cb -0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 2c9d s ALA 24 CO -0.08 0.12 1.00 -1.54 0.00 0.00 0.00 175.76 175.27 2c9d s SER 25 N 0.33 6.34 -0.06 0.00 1.04 -0.62 -1.93 113.70 118.81 2c9d s SER 25 Ca -0.06 1.44 0.15 0.00 0.48 0.00 0.00 55.95 57.96 2c9d s SER 25 Cb -0.10 -2.47 -0.23 0.00 0.10 0.00 0.00 66.02 63.32 2c9d s SER 25 CO 0.01 -0.78 0.26 -1.20 0.98 0.00 0.00 173.24 172.51 2c9d n SER 26 N -2.40 1.32 -4.61 7.02 7.64 -0.58 -4.82 113.62 117.20 2c9d n SER 26 Ca 0.06 0.00 -0.57 0.00 1.01 0.00 0.00 58.87 59.37 2c9d n SER 26 Cb 0.54 1.46 -0.07 0.00 -1.01 0.00 0.00 64.21 65.13 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 -2.21 1.43 -2.92 1.43 -0.00 -1.23 -2.00 117.44 111.94 2c9d n TRP 27 Ca -0.10 0.78 -0.07 0.00 -0.00 0.00 0.00 57.50 58.11 2c9d n TRP 27 Cb 0.60 -2.29 0.01 0.00 -0.00 0.00 0.00 31.31 29.63 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 3.01 -3.36 -0.18 5.87 8.25 -1.26 -4.66 115.22 122.89 2c9d n HIS 28 Ca 0.22 1.34 -0.10 0.00 -0.26 0.00 0.00 57.72 58.92 2c9d n HIS 28 Cb 0.12 -4.03 0.01 0.00 1.12 0.00 0.00 29.99 27.21 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 1.65 1.00 0.68 -1.41 0.00 -1.77 -3.05 103.07 100.18 2c9d h GLY 29 Ca -0.02 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.59 2c9d h GLY 29 CO 0.22 0.67 -0.16 1.70 0.00 0.00 0.00 176.54 178.98 2c9d h LYS 30 N 0.80 -0.27 -0.80 4.80 3.64 -1.93 -1.96 116.57 120.85 2c9d h LYS 30 Ca 0.15 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 2c9d h LYS 30 Cb 0.52 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 2c9d h LYS 30 CO 0.03 -0.18 0.31 0.82 -2.27 0.00 0.00 179.45 178.16 2c9d h ILE 31 N -0.28 1.26 -0.56 2.00 2.04 -1.94 -2.53 117.51 117.49 2c9d h ILE 31 Ca 0.04 -0.83 0.09 0.00 1.00 0.00 0.00 64.86 65.15 2c9d h ILE 31 Cb 0.32 0.31 -0.07 0.00 -0.74 0.00 0.00 36.82 36.65 2c9d h ILE 31 CO -0.11 0.34 0.18 0.00 0.00 0.00 0.00 178.15 178.56 2c9d h ASP 33 N 0.35 0.65 0.39 0.00 3.32 -0.94 0.12 116.42 120.31 2c9d h ASP 33 Ca 0.28 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2c9d h ASP 33 Cb 0.35 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2c9d h ASP 33 CO -0.30 0.43 -0.19 0.00 -1.72 0.00 0.00 179.24 177.45 2c9d h ALA 34 N 1.35 -0.52 -0.58 3.45 0.00 -1.07 0.52 119.26 122.41 2c9d h ALA 34 Ca 0.31 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2c9d h ALA 34 Cb 0.15 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2c9d h ALA 34 CO -0.17 -0.74 0.18 -0.07 0.00 0.00 0.00 179.25 178.45 2c9d h LEU 35 N -0.62 0.14 -1.08 0.00 3.38 -0.86 -1.20 115.31 115.07 2c9d h LEU 35 Ca -0.05 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2c9d h LEU 35 Cb 0.46 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2c9d h LEU 35 CO 0.09 0.09 0.18 0.25 0.09 0.00 0.00 178.44 179.14 2c9d h LEU 36 N 0.35 0.76 -0.71 1.67 5.85 -0.69 -2.86 115.31 119.67 2c9d h LEU 36 Ca 0.29 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2c9d h LEU 36 Cb 0.38 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2c9d h LEU 36 CO -0.32 0.72 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.58 2c9d h ASP 37 N 0.81 0.85 -0.47 1.25 -0.00 0.25 -2.62 116.42 116.48 2c9d h ASP 37 Ca 0.19 -0.27 -0.04 0.00 -0.00 0.00 0.00 57.03 56.90 2c9d h ASP 37 Cb 0.23 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 2c9d h ASP 37 CO -0.01 0.99 0.15 1.23 -0.00 0.00 0.00 179.24 181.60 2c9d h GLY 38 N 0.96 0.79 0.98 -0.78 0.00 -1.18 -2.78 103.07 101.07 2c9d h GLY 38 Ca 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2c9d h GLY 38 CO 0.05 0.44 0.16 0.00 0.00 0.00 0.00 176.54 177.18 2c9d h ALA 39 N 1.00 0.32 -0.33 3.60 0.00 -1.40 -2.64 119.26 119.81 2c9d h ALA 39 Ca 0.15 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2c9d h ALA 39 Cb 0.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2c9d h ALA 39 CO -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 179.25 178.95 2c9d h ARG 40 N 0.33 0.55 0.17 0.00 3.08 -1.48 -1.17 114.38 115.87 2c9d h ARG 40 Ca 0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2c9d h ARG 40 Cb -0.03 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2c9d h ARG 40 CO -0.03 0.63 -0.08 -0.22 -1.07 0.00 0.00 179.97 179.20 2c9d h LYS 41 N 0.51 -0.22 -0.93 0.04 3.64 -1.34 -0.50 116.57 117.77 2c9d h LYS 41 Ca 0.10 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2c9d h LYS 41 Cb 0.45 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.26 2c9d h LYS 41 CO 0.02 -0.03 0.59 0.28 -2.27 0.00 0.00 179.45 178.04 2c9d h VAL 42 N -0.37 1.09 -0.20 2.00 2.07 -1.36 -0.66 116.25 118.81 2c9d h VAL 42 Ca -0.02 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.15 2c9d h VAL 42 Cb 0.29 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2c9d h VAL 42 CO 0.04 0.20 0.05 0.00 0.02 0.00 0.00 177.57 177.87 2c9d h ALA 43 N 1.41 0.21 -0.61 1.67 0.00 -0.98 -2.08 119.26 118.89 2c9d h ALA 43 Ca 0.39 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 2c9d h ALA 43 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2c9d h ALA 43 CO -0.16 -0.38 0.03 0.00 0.00 0.00 0.00 179.25 178.74 2c9d h ALA 44 N 1.14 0.81 -0.94 0.00 0.00 -0.61 -1.19 119.26 118.47 2c9d h ALA 44 Ca 0.09 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2c9d h ALA 44 Cb 0.08 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 2c9d h ALA 44 CO -0.12 0.63 0.61 0.78 0.00 0.00 0.00 179.25 181.16 2c9d h GLY 45 N 0.95 1.40 -0.10 0.00 0.00 -0.97 -2.19 103.07 102.17 2c9d h GLY 45 Ca 0.18 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2c9d h GLY 45 CO 0.03 0.33 0.00 0.00 0.00 0.00 0.00 176.54 176.89 2c9d n GLY 47 N 0.83 0.76 3.31 0.00 0.00 -0.82 -3.79 105.19 105.47 2c9d n GLY 47 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 6.00 0.24 0.99 1.43 -0.47 -4.78 118.68 122.09 2c9d s LEU 48 Ca 0.00 -1.72 0.05 0.00 -1.03 0.00 0.00 54.13 51.43 2c9d s LEU 48 Cb 0.00 -2.17 0.26 0.00 0.03 0.00 0.00 46.19 44.31 2c9d s LEU 48 CO 0.00 -0.79 1.57 0.44 0.23 0.00 0.00 176.35 177.80 2c9d h ASP 49 N 8.79 0.26 -1.95 2.29 5.19 -1.87 -3.09 116.42 126.04 2c9d h ASP 49 Ca -0.28 -0.15 -0.47 0.00 -0.62 0.00 0.00 57.03 55.51 2c9d h ASP 49 Cb 1.10 -0.08 -0.32 0.00 0.18 0.00 0.00 39.33 40.21 2c9d h ASP 49 CO 0.98 0.79 -0.85 -0.67 -3.12 0.00 0.00 179.24 176.38 2c9d n ASP 50 N -3.88 -1.30 -4.86 6.45 -0.08 -1.26 -4.93 116.55 106.70 2c9d n ASP 50 Ca -0.02 -2.54 -0.31 0.00 -1.51 0.00 0.00 54.79 50.41 2c9d n ASP 50 Cb 0.61 0.10 0.03 0.00 2.34 0.00 0.00 41.12 44.20 2c9d n ASP 50 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2c9d s PRO 51 N 0.23 3.14 -0.22 -0.67 0.04 -1.26 -5.01 135.00 131.25 2c9d s PRO 51 Ca 0.32 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2c9d s PRO 51 Cb 0.04 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2c9d s PRO 51 CO -0.16 -0.89 1.16 0.99 0.04 0.00 0.00 177.00 178.14 2c9d s THR 52 N -3.19 4.44 -0.16 1.26 2.01 -0.97 -4.94 115.64 114.09 2c9d s THR 52 Ca 0.57 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 64.28 2c9d s THR 52 Cb -0.12 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.20 2c9d s THR 52 CO 0.54 -0.23 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.43 2c9d s VAL 53 N 3.51 3.07 -0.03 3.82 1.01 -1.26 0.56 120.40 131.07 2c9d s VAL 53 Ca 0.50 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2c9d s VAL 53 Cb -0.17 -2.32 0.01 0.00 0.00 0.00 0.00 36.38 33.89 2c9d s VAL 53 CO 0.12 0.50 -0.08 -0.69 0.00 0.00 0.00 175.10 174.95 2c9d s VAL 54 N 0.74 0.72 -0.05 2.92 1.01 0.01 -4.99 120.40 120.76 2c9d s VAL 54 Ca -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 2c9d s VAL 54 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 2c9d s VAL 54 CO 0.02 0.24 0.13 -0.13 0.00 0.00 0.00 175.10 175.36 2c9d s ARG 55 N 0.41 3.32 0.29 2.72 1.81 -1.26 -1.79 118.95 124.44 2c9d s ARG 55 Ca -0.06 -0.30 0.04 0.00 -1.72 0.00 0.00 55.73 53.68 2c9d s ARG 55 Cb -0.10 -3.05 -0.06 0.00 -0.45 0.00 0.00 34.95 31.29 2c9d s ARG 55 CO 0.01 0.71 0.03 0.14 -0.68 0.00 0.00 175.30 175.50 2c9d s VAL 56 N -1.16 1.16 -0.02 3.52 -7.23 -0.81 -4.95 120.40 110.91 2c9d s VAL 56 Ca 0.21 -2.03 0.02 0.00 -1.81 0.00 0.00 61.98 58.37 2c9d s VAL 56 Cb -0.12 -2.61 -0.26 0.00 0.56 0.00 0.00 36.38 33.95 2c9d s VAL 56 CO 0.11 -0.13 0.77 0.25 -0.31 0.00 0.00 175.10 175.80 2c9d h LEU 57 N 2.26 0.25 -8.41 1.32 6.46 -1.95 -1.53 115.31 113.71 2c9d h LEU 57 Ca -0.40 -0.41 -0.18 0.00 -0.12 0.00 0.00 57.88 56.78 2c9d h LEU 57 Cb 1.24 -0.08 -0.14 0.00 -0.73 0.00 0.00 40.66 40.94 2c9d h LEU 57 CO 0.67 1.35 -0.55 -0.83 -0.62 0.00 0.00 178.44 178.45 2c9d s GLY 58 N -5.06 1.01 0.29 3.75 0.00 -1.26 -3.47 107.32 102.59 2c9d s GLY 58 Ca -0.09 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.24 2c9d s GLY 58 CO 0.83 -1.24 1.78 0.00 0.00 0.00 0.00 173.10 174.47 2c9d h ALA 59 N 2.70 1.19 0.00 3.20 0.00 -1.94 -2.83 119.26 121.58 2c9d h ALA 59 Ca -0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2c9d h ALA 59 Cb 1.22 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2c9d h ALA 59 CO 0.54 0.52 -0.08 0.82 0.00 0.00 0.00 179.25 181.05 2c9d h ILE 60 N 0.53 0.96 -0.10 0.00 2.04 -1.97 -1.75 117.51 117.23 2c9d h ILE 60 Ca 0.10 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2c9d h ILE 60 Cb 0.50 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2c9d h ILE 60 CO 0.03 0.08 0.00 -1.84 0.00 0.00 0.00 178.15 176.42 2c9d n GLU 61 N -4.30 1.50 0.15 2.37 0.00 -1.07 -4.24 120.64 115.05 2c9d n GLU 61 Ca -0.03 -0.74 -0.14 0.00 0.00 0.00 0.00 57.16 56.26 2c9d n GLU 61 Cb 0.16 -1.38 -0.08 0.00 0.00 0.00 0.00 31.44 30.14 2c9d n GLU 61 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2c9d h ILE 62 N 1.55 0.77 -0.63 3.84 2.04 -1.39 -3.29 117.51 120.40 2c9d h ILE 62 Ca 0.00 -0.40 0.10 0.00 1.00 0.00 0.00 64.86 65.56 2c9d h ILE 62 Cb 0.34 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2c9d h ILE 62 CO 0.00 0.08 0.24 -0.65 0.00 0.00 0.00 178.15 177.83 2c9d h PRO 63 N -0.57 0.41 -0.07 2.37 0.11 -1.77 -1.71 132.00 130.77 2c9d h PRO 63 Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 2c9d h PRO 63 Cb 0.42 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 2c9d h PRO 63 CO 0.06 0.27 -0.06 -0.24 -0.21 0.00 0.00 178.00 177.83 2c9d h VAL 64 N 0.43 1.09 0.00 3.15 3.04 -1.84 -1.99 116.25 120.12 2c9d h VAL 64 Ca 0.32 -0.37 -0.19 0.00 -1.01 0.00 0.00 66.70 65.44 2c9d h VAL 64 Cb 0.39 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 2c9d h VAL 64 CO -0.31 0.12 -1.23 0.58 -1.01 0.00 0.00 177.57 175.72 2c9d h VAL 65 N 0.10 0.88 -0.22 1.51 2.07 -1.42 -3.26 116.25 115.91 2c9d h VAL 65 Ca 0.02 -2.48 -0.14 0.00 0.82 0.00 0.00 66.70 64.93 2c9d h VAL 65 Cb 0.17 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 2c9d h VAL 65 CO 0.01 0.50 -0.43 0.00 0.02 0.00 0.00 177.57 177.67 2c9d h ALA 66 N 1.25 0.83 -0.49 1.67 0.00 -0.93 -2.11 119.26 119.48 2c9d h ALA 66 Ca -0.13 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.35 2c9d h ALA 66 Cb 1.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2c9d h ALA 66 CO 0.07 0.65 0.28 0.37 0.00 0.00 0.00 179.25 180.62 2c9d h GLN 67 N 0.44 0.54 -0.41 0.00 4.15 -1.45 0.17 115.11 118.55 2c9d h GLN 67 Ca 0.03 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2c9d h GLN 67 Cb 0.94 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 2c9d h GLN 67 CO 0.08 0.35 0.10 1.49 -1.93 0.00 0.00 178.83 178.93 2c9d h GLU 68 N 0.55 0.66 0.00 1.69 4.57 -1.58 -2.95 114.58 117.53 2c9d h GLU 68 Ca 0.20 -0.16 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2c9d h GLU 68 Cb 0.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2c9d h GLU 68 CO -0.11 0.68 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.09 2c9d h LEU 69 N 0.53 0.00 -1.96 1.64 3.38 -1.07 -2.90 115.31 114.92 2c9d h LEU 69 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2c9d h LEU 69 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2c9d h LEU 69 CO 0.00 0.24 -0.04 0.00 0.09 0.00 0.00 178.44 178.73 2c9d h ALA 70 N 1.76 1.05 0.00 1.53 0.00 -0.78 -2.96 119.26 119.87 2c9d h ALA 70 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2c9d h ALA 70 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2c9d h ALA 70 CO 0.03 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.87 2c9d n ARG 71 N -3.21 0.58 -0.26 0.00 1.74 -1.10 -3.88 116.66 110.54 2c9d n ARG 71 Ca -0.01 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2c9d n ARG 71 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2c9d n ARG 71 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2c9d n ASN 72 N -1.16 0.00 -4.09 0.55 4.05 -1.13 -5.12 115.26 108.36 2c9d n ASN 72 Ca 0.16 -1.31 -0.07 0.00 0.45 0.00 0.00 54.58 53.81 2c9d n ASN 72 Cb 0.16 -0.06 -0.10 0.00 1.23 0.00 0.00 39.78 41.01 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 2c9d s HIS 73 N 0.00 0.53 -0.48 1.20 3.76 -1.16 -5.01 115.29 114.13 2c9d s HIS 73 Ca 0.00 -1.02 0.23 0.00 -0.15 0.00 0.00 55.06 54.13 2c9d s HIS 73 Cb 0.00 -0.38 0.16 0.00 1.11 0.00 0.00 32.58 33.46 2c9d s HIS 73 CO 0.00 -0.35 1.16 -0.25 -0.85 0.00 0.00 174.74 174.45 2c9d n ASP 74 N 0.22 0.73 -3.65 1.40 8.00 -0.06 -4.86 116.55 118.34 2c9d n ASP 74 Ca -0.15 0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 2c9d n ASP 74 Cb 0.61 0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 42.03 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 -3.25 -1.65 -0.06 2.24 0.00 -1.14 -4.38 121.76 113.51 2c9d s ALA 75 Ca 0.03 1.93 0.05 0.00 0.00 0.00 0.00 51.96 53.97 2c9d s ALA 75 Cb 0.12 -1.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 2c9d s ALA 75 CO 0.76 -0.32 -0.22 0.08 0.00 0.00 0.00 175.76 176.07 2c9d s VAL 76 N 0.53 1.82 -0.19 0.00 1.01 -0.84 -1.67 120.40 121.06 2c9d s VAL 76 Ca -0.01 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2c9d s VAL 76 Cb -0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2c9d s VAL 76 CO -0.02 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 2c9d s VAL 77 N 0.05 3.17 -0.20 2.92 1.01 -0.27 -0.69 120.40 126.40 2c9d s VAL 77 Ca -0.08 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.25 2c9d s VAL 77 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2c9d s VAL 77 CO 0.04 0.46 0.08 0.00 0.00 0.00 0.00 175.10 175.69 2c9d s ALA 78 N 1.12 3.44 -0.02 5.51 0.00 -0.88 -1.16 121.76 129.77 2c9d s ALA 78 Ca 0.01 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2c9d s ALA 78 Cb -0.14 -2.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2c9d s ALA 78 CO -0.02 0.06 -0.16 -0.51 0.00 0.00 0.00 175.76 175.13 2c9d s LEU 79 N 0.59 1.98 0.00 0.00 1.43 -0.38 -0.88 118.68 121.42 2c9d s LEU 79 Ca 0.04 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 2c9d s LEU 79 Cb -0.13 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.23 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 2.87 0.05 2.88 -3.19 0.00 -1.16 -1.58 105.19 105.05 2c9d n GLY 80 Ca -0.16 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 0.50 -0.17 1.61 1.01 -1.26 -0.22 120.40 119.87 2c9d s VAL 81 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2c9d s VAL 81 Cb 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.86 2c9d s VAL 81 CO 0.00 0.22 -0.18 -0.69 0.00 0.00 0.00 175.10 174.46 2c9d s VAL 82 N 1.01 1.91 -0.12 2.92 1.01 -0.14 -4.91 120.40 122.08 2c9d s VAL 82 Ca -0.10 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.01 2c9d s VAL 82 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2c9d s VAL 82 CO -0.01 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.84 2c9d s ILE 83 N 1.34 3.19 0.45 2.22 1.01 -1.26 -2.42 121.20 125.73 2c9d s ILE 83 Ca 0.04 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 59.83 2c9d s ILE 83 Cb -0.13 -2.34 -0.08 0.00 0.01 0.00 0.00 42.46 39.92 2c9d s ILE 83 CO -0.12 0.53 1.37 -0.60 0.00 0.00 0.00 174.94 176.12 2c9d s ARG 84 N 0.21 3.72 0.00 2.79 3.52 -1.12 -4.96 118.95 123.11 2c9d s ARG 84 Ca -0.07 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.81 2c9d s ARG 84 Cb -0.15 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 2c9d s ARG 84 CO 0.05 -0.74 0.00 0.41 -0.81 0.00 0.00 175.30 174.20 2c9d n GLY 85 N 0.62 4.06 0.21 8.12 0.00 -1.26 -4.93 105.19 112.01 2c9d n GLY 85 Ca 0.05 -1.57 0.07 0.00 0.00 0.00 0.00 46.02 44.58 2c9d n GLY 85 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2c9d n GLN 86 N 0.00 1.84 -4.38 1.61 7.27 -1.26 -4.99 117.38 117.48 2c9d n GLN 86 Ca 0.00 -0.47 -0.24 0.00 0.07 0.00 0.00 57.00 56.36 2c9d n GLN 86 Cb 0.00 -1.24 -0.09 0.00 2.41 0.00 0.00 30.24 31.32 2c9d n GLN 86 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2c9d s THR 87 N -2.09 2.81 -1.86 1.69 -4.23 -1.26 -5.01 115.64 105.69 2c9d s THR 87 Ca 0.10 -2.10 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2c9d s THR 87 Cb 0.12 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.31 2c9d s THR 87 CO 0.49 -0.32 0.42 -0.81 -0.54 0.00 0.00 174.62 173.87 2c9d n PRO 88 N -0.83 0.46 -0.31 3.99 -0.04 -1.26 -3.73 135.00 133.28 2c9d n PRO 88 Ca -0.05 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.38 2c9d n PRO 88 Cb 0.61 -1.03 0.12 0.00 -0.04 0.00 0.00 33.50 33.16 2c9d n PRO 88 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2c9d h HIS 89 N 0.08 1.17 -0.82 0.54 2.76 -1.98 -2.60 115.15 114.29 2c9d h HIS 89 Ca 0.00 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.35 2c9d h HIS 89 Cb 0.03 -0.38 -0.13 0.00 1.55 0.00 0.00 27.41 28.49 2c9d h HIS 89 CO 0.00 0.80 0.20 0.35 -1.30 0.00 0.00 177.93 177.98 2c9d h PHE 90 N 1.21 0.30 -0.34 5.26 3.57 -1.93 -0.61 116.94 124.39 2c9d h PHE 90 Ca 0.31 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.88 2c9d h PHE 90 Cb 0.00 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 2c9d h PHE 90 CO 0.01 -0.16 0.23 -0.44 -2.23 0.00 0.00 178.31 175.72 2c9d h ASP 91 N 0.23 0.33 0.78 0.41 5.19 -1.76 -3.03 116.42 118.57 2c9d h ASP 91 Ca 0.49 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.73 2c9d h ASP 91 Cb 0.94 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.34 2c9d h ASP 91 CO -0.60 0.23 -1.32 1.88 -3.12 0.00 0.00 179.24 176.30 2c9d h TYR 92 N 0.38 0.00 -0.10 4.55 0.05 -1.19 -2.87 116.97 117.79 2c9d h TYR 92 Ca 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.91 2c9d h TYR 92 Cb 0.08 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 2c9d h TYR 92 CO -0.00 0.59 0.02 0.28 -1.05 0.00 0.00 178.16 177.99 2c9d h VAL 93 N 0.00 1.22 -0.41 -2.88 2.07 -1.37 -2.95 116.25 111.92 2c9d h VAL 93 Ca -0.15 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2c9d h VAL 93 Cb 1.58 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2c9d h VAL 93 CO 0.05 0.19 -0.02 0.00 0.02 0.00 0.00 177.57 177.81 2c9d h ASP 95 N 0.63 0.47 -0.21 0.00 5.19 -1.51 -2.06 116.42 118.93 2c9d h ASP 95 Ca 0.12 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2c9d h ASP 95 Cb 0.43 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2c9d h ASP 95 CO 0.02 0.37 0.13 0.00 -3.12 0.00 0.00 179.24 176.64 2c9d h ALA 96 N 1.12 0.26 -0.70 3.45 0.00 -1.40 -2.10 119.26 119.89 2c9d h ALA 96 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2c9d h ALA 96 Cb -0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2c9d h ALA 96 CO -0.03 -0.26 0.38 0.28 0.00 0.00 0.00 179.25 179.61 2c9d h VAL 97 N 0.28 1.22 0.17 0.00 2.07 -1.42 0.58 116.25 119.14 2c9d h VAL 97 Ca 0.08 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2c9d h VAL 97 Cb -0.03 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2c9d h VAL 97 CO -0.02 0.24 -0.17 0.74 0.02 0.00 0.00 177.57 178.38 2c9d h THR 98 N 0.96 0.63 -0.50 2.57 2.02 -1.25 -2.06 112.91 115.28 2c9d h THR 98 Ca 0.25 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.41 2c9d h THR 98 Cb 0.05 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2c9d h THR 98 CO -0.04 0.00 0.24 1.56 0.37 0.00 0.00 175.52 177.65 2c9d h GLN 99 N -0.36 0.72 0.44 6.66 4.20 -1.16 -2.85 115.11 122.77 2c9d h GLN 99 Ca 0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2c9d h GLN 99 Cb 0.34 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2c9d h GLN 99 CO -0.04 0.60 -0.21 0.78 -0.67 0.00 0.00 178.83 179.29 2c9d h GLY 100 N 0.67 -0.61 0.98 3.46 0.00 -0.82 -2.36 103.07 104.38 2c9d h GLY 100 Ca 0.17 0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 2c9d h GLY 100 CO -0.02 -0.22 0.26 1.41 0.00 0.00 0.00 176.54 177.97 2c9d h LEU 101 N -0.71 0.65 -0.68 3.11 3.38 -1.44 -1.32 115.31 118.31 2c9d h LEU 101 Ca -0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2c9d h LEU 101 Cb 0.51 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2c9d h LEU 101 CO 0.10 0.58 0.45 0.74 0.09 0.00 0.00 178.44 180.40 2c9d h THR 102 N 0.68 1.16 -0.74 0.22 2.02 -1.55 -1.75 112.91 112.95 2c9d h THR 102 Ca 0.18 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2c9d h THR 102 Cb 0.09 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2c9d h THR 102 CO -0.02 0.17 0.43 -0.09 0.37 0.00 0.00 175.52 176.37 2c9d h ARG 103 N 0.90 1.02 -0.20 6.66 1.12 -1.08 -3.03 114.38 119.76 2c9d h ARG 103 Ca 0.25 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 2c9d h ARG 103 Cb -0.09 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.66 2c9d h ARG 103 CO -0.06 0.73 0.03 0.28 -3.11 0.00 0.00 179.97 177.84 2c9d h VAL 104 N 1.02 1.23 -0.78 0.20 2.07 -0.87 -2.17 116.25 116.94 2c9d h VAL 104 Ca 0.26 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.08 2c9d h VAL 104 Cb -0.01 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2c9d h VAL 104 CO -0.05 0.24 0.47 0.77 0.02 0.00 0.00 177.57 179.02 2c9d h SER 105 N 0.12 0.74 0.92 0.57 4.64 -1.29 -2.14 113.55 117.11 2c9d h SER 105 Ca 0.06 0.02 -0.22 0.00 -0.47 0.00 0.00 61.79 61.18 2c9d h SER 105 Cb 0.33 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2c9d h SER 105 CO 0.01 0.48 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.36 2c9d h LEU 106 N 0.87 0.07 -0.57 5.97 3.38 -1.52 0.42 115.31 123.94 2c9d h LEU 106 Ca 0.34 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2c9d h LEU 106 Cb 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2c9d h LEU 106 CO -0.17 1.04 0.23 0.44 0.09 0.00 0.00 178.44 180.08 2c9d h ASP 107 N 0.01 0.78 -0.01 -0.43 3.45 -1.18 -3.28 116.42 115.76 2c9d h ASP 107 Ca -0.03 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.26 2c9d h ASP 107 Cb 1.76 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 40.33 2c9d h ASP 107 CO 0.14 0.73 -0.45 -1.54 -1.57 0.00 0.00 179.24 176.55 2c9d n SER 108 N -4.50 1.88 -3.76 6.45 3.41 -0.82 -4.99 113.62 111.29 2c9d n SER 108 Ca 0.03 -1.44 -0.24 0.00 -0.26 0.00 0.00 58.87 56.96 2c9d n SER 108 Cb 0.16 0.49 0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -0.09 -2.60 -3.98 4.04 7.64 0.06 -5.00 113.62 113.69 2c9d n SER 109 Ca 0.08 -0.79 -0.21 0.00 1.01 0.00 0.00 58.87 58.96 2c9d n SER 109 Cb 0.43 -4.06 -0.16 0.00 -1.01 0.00 0.00 64.21 59.41 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 -3.53 0.77 -0.06 0.44 2.01 -0.74 -5.04 115.64 109.49 2c9d s THR 110 Ca 0.25 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 2c9d s THR 110 Cb -0.12 -0.71 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 2c9d s THR 110 CO 0.81 0.25 1.77 -2.84 -0.69 0.00 0.00 174.62 173.93 2c9d s PRO 111 N 0.43 4.05 -0.68 4.92 0.02 -1.26 -4.41 135.00 138.07 2c9d s PRO 111 Ca -0.07 2.22 -0.07 0.00 0.02 0.00 0.00 61.00 63.10 2c9d s PRO 111 Cb -0.11 -4.06 0.18 0.00 0.02 0.00 0.00 34.50 30.52 2c9d s PRO 111 CO 0.01 -1.02 0.55 0.42 -0.33 0.00 0.00 177.00 176.63 2c9d s ILE 112 N 4.58 4.44 0.34 2.83 -1.09 -1.26 -1.99 121.20 129.05 2c9d s ILE 112 Ca 0.79 -2.66 -0.29 0.00 -2.23 0.00 0.00 60.65 56.26 2c9d s ILE 112 Cb -0.35 -3.83 -0.11 0.00 -1.58 0.00 0.00 42.46 36.59 2c9d s ILE 112 CO 0.33 -0.92 1.50 0.00 -1.23 0.00 0.00 174.94 174.62 2c9d s ALA 113 N 0.18 3.63 -0.45 9.38 0.00 0.13 -4.91 121.76 129.72 2c9d s ALA 113 Ca 0.16 1.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.52 2c9d s ALA 113 Cb -0.17 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.41 2c9d s ALA 113 CO -0.05 -0.97 0.33 1.21 0.00 0.00 0.00 175.76 176.28 2c9d s ASN 114 N 0.07 5.94 -0.31 0.00 3.84 -1.26 -2.07 114.94 121.14 2c9d s ASN 114 Ca 0.56 -1.37 0.08 0.00 0.21 0.00 0.00 52.86 52.34 2c9d s ASN 114 Cb -0.46 -2.10 0.46 0.00 -0.55 0.00 0.00 41.25 38.59 2c9d s ASN 114 CO 0.56 -0.59 1.17 0.61 -2.79 0.00 0.00 177.10 176.06 2c9d n GLY 115 N 5.09 6.06 3.44 1.21 0.00 -0.06 -4.88 105.19 116.05 2c9d n GLY 115 Ca -0.11 -2.59 -0.41 0.00 0.00 0.00 0.00 46.02 42.91 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 -4.69 4.90 0.35 1.61 1.01 -1.24 -2.98 120.40 119.35 2c9d s VAL 116 Ca 0.49 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 2c9d s VAL 116 Cb 0.40 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.05 2c9d s VAL 116 CO -0.00 -0.15 1.27 -0.76 0.00 0.00 0.00 175.10 175.46 2c9d s LEU 117 N 1.63 4.37 -0.30 3.92 1.43 0.69 -4.93 118.68 125.50 2c9d s LEU 117 Ca 0.04 2.59 -0.03 0.00 -1.03 0.00 0.00 54.13 55.71 2c9d s LEU 117 Cb -0.18 -3.74 0.10 0.00 0.03 0.00 0.00 46.19 42.40 2c9d s LEU 117 CO 0.08 -0.57 0.12 0.42 0.23 0.00 0.00 176.35 176.63 2c9d s THR 118 N -1.20 0.34 0.39 5.49 -4.23 -1.26 -0.97 115.64 114.19 2c9d s THR 118 Ca 0.51 -1.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.04 2c9d s THR 118 Cb -0.37 -1.28 -0.07 0.00 1.34 0.00 0.00 72.50 72.11 2c9d s THR 118 CO 0.49 -0.71 -0.00 0.42 -0.54 0.00 0.00 174.62 174.28 2c9d s THR 119 N 1.88 1.93 -0.05 3.99 -4.23 -1.02 -5.03 115.64 113.12 2c9d s THR 119 Ca 0.09 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 2c9d s THR 119 Cb -0.17 -2.90 -0.24 0.00 1.34 0.00 0.00 72.50 70.53 2c9d s THR 119 CO -0.32 -0.04 0.66 0.78 -0.54 0.00 0.00 174.62 175.16 2c9d h ASN 120 N 1.87 0.16 -4.05 3.99 2.35 -1.95 -2.96 115.58 114.98 2c9d h ASN 120 Ca -0.43 -0.31 -0.37 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 0.78 1.27 -0.63 0.42 -1.65 0.00 0.00 177.43 177.61 2c9d s THR 121 N -2.60 0.85 0.22 2.81 -4.23 -1.26 -4.46 115.64 106.98 2c9d s THR 121 Ca -0.09 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.44 2c9d s THR 121 Cb 0.08 -2.50 -0.06 0.00 1.34 0.00 0.00 72.50 71.36 2c9d s THR 121 CO 0.82 -0.17 1.53 -0.08 -0.54 0.00 0.00 174.62 176.17 2c9d h GLU 122 N 2.40 0.26 -0.37 3.99 4.81 -1.97 -3.17 114.58 120.54 2c9d h GLU 122 Ca -0.39 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2c9d h GLU 122 Cb 1.23 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 2c9d h GLU 122 CO 0.64 0.81 0.16 0.93 -0.73 0.00 0.00 179.01 180.82 2c9d h GLU 123 N 0.19 0.32 -0.77 1.92 5.08 -1.99 -2.02 114.58 117.31 2c9d h GLU 123 Ca -0.01 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2c9d h GLU 123 Cb 1.16 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 2c9d h GLU 123 CO 0.10 0.21 0.46 1.96 -1.00 0.00 0.00 179.01 180.74 2c9d h GLN 124 N 0.33 0.82 -0.36 2.33 4.20 -1.98 -1.50 115.11 118.95 2c9d h GLN 124 Ca 0.16 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 2c9d h GLN 124 Cb 0.11 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2c9d h GLN 124 CO -0.14 0.54 0.02 0.00 -0.67 0.00 0.00 178.83 178.58 2c9d h ALA 125 N 1.38 0.48 -0.52 3.87 0.00 -1.49 -3.00 119.26 119.97 2c9d h ALA 125 Ca 0.34 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2c9d h ALA 125 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2c9d h ALA 125 CO -0.17 0.22 0.35 -0.07 0.00 0.00 0.00 179.25 179.57 2c9d h LEU 126 N 0.44 0.60 0.00 0.00 3.38 -0.99 -2.37 115.31 116.36 2c9d h LEU 126 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c9d h LEU 126 Cb 0.42 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2c9d h LEU 126 CO 0.01 0.43 0.00 -0.67 0.09 0.00 0.00 178.44 178.31 2c9d n ASP 127 N -4.46 0.00 -0.16 -0.43 2.03 -0.60 -3.30 116.55 109.63 2c9d n ASP 127 Ca 0.05 0.22 0.05 0.00 0.52 0.00 0.00 54.79 55.63 2c9d n ASP 127 Cb 0.05 -0.40 0.08 0.00 -0.72 0.00 0.00 41.12 40.13 2c9d n ASP 127 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2c9d n ARG 128 N -1.40 2.42 -0.03 -0.67 1.74 -0.90 -1.76 116.66 116.07 2c9d n ARG 128 Ca 0.09 -2.02 0.04 0.00 -0.77 0.00 0.00 57.85 55.20 2c9d n ARG 128 Cb 0.25 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.30 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 -0.69 2.38 -0.14 7.54 0.00 -1.18 -2.17 120.51 126.25 2c9d n ALA 129 Ca 0.08 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2c9d n ALA 129 Cb 0.45 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.42 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 1.61 1.74 3.87 0.00 0.00 -0.92 -3.98 105.19 107.51 2c9d n GLY 130 Ca -0.10 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.01 2.93 0.17 0.99 1.02 -1.26 -4.91 118.68 117.61 2c9d s LEU 131 Ca 0.00 1.20 -0.01 0.00 0.02 0.00 0.00 54.13 55.34 2c9d s LEU 131 Cb 0.00 -4.02 0.37 0.00 0.02 0.00 0.00 46.19 42.56 2c9d s LEU 131 CO 0.00 -1.33 0.89 -2.65 0.02 0.00 0.00 176.35 173.28 2c9d n PRO 132 N -3.01 -0.05 -0.51 1.29 -0.02 -1.26 -0.83 135.00 130.60 2c9d n PRO 132 Ca 0.07 0.87 0.08 0.00 -2.02 0.00 0.00 63.50 62.50 2c9d n PRO 132 Cb 0.57 -1.35 0.28 0.00 -0.02 0.00 0.00 33.50 32.98 2c9d n PRO 132 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2c9d n THR 133 N -4.79 2.37 -2.80 3.45 -2.24 -1.26 -5.03 114.28 103.97 2c9d n THR 133 Ca 0.12 -1.84 -0.32 0.00 -2.27 0.00 0.00 64.05 59.74 2c9d n THR 133 Cb 0.38 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 2c9d n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c9d s SER 134 N -1.80 6.72 0.21 3.42 0.01 -0.01 -4.99 113.70 117.27 2c9d s SER 134 Ca 0.44 1.43 0.10 0.00 1.31 0.00 0.00 55.95 59.24 2c9d s SER 134 Cb 0.35 -2.44 0.09 0.00 0.21 0.00 0.00 66.02 64.23 2c9d s SER 134 CO 0.10 -0.39 1.45 0.00 0.41 0.00 0.00 173.24 174.81 2c9d h ALA 135 N 1.60 0.66 -2.86 1.44 0.00 -1.68 -3.47 119.26 114.94 2c9d h ALA 135 Ca -0.48 -0.69 -0.08 0.00 0.00 0.00 0.00 54.91 53.66 2c9d h ALA 135 Cb 1.18 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 2c9d h ALA 135 CO 0.63 0.95 -0.09 -1.83 0.00 0.00 0.00 179.25 178.91 2c9d s GLU 136 N -3.12 1.66 -0.32 0.00 -1.05 -1.12 -5.07 118.70 109.68 2c9d s GLU 136 Ca 0.00 -1.33 -0.02 0.00 -0.15 0.00 0.00 54.97 53.48 2c9d s GLU 136 Cb 0.11 0.48 0.11 0.00 -0.44 0.00 0.00 34.13 34.39 2c9d s GLU 136 CO 0.78 -0.70 0.15 0.34 0.95 0.00 0.00 175.26 176.78 2c9d s ASP 137 N -3.05 3.55 0.40 0.83 -1.08 -1.26 -2.16 116.67 113.90 2c9d s ASP 137 Ca 0.23 -1.71 0.08 0.00 -0.52 0.00 0.00 52.55 50.63 2c9d s ASP 137 Cb -0.01 -0.56 0.84 0.00 -1.46 0.00 0.00 42.92 41.73 2c9d s ASP 137 CO 0.11 -0.39 2.01 0.11 0.52 0.00 0.00 175.17 177.53 2c9d h LYS 138 N 7.86 0.42 -0.58 4.34 1.57 -1.68 -2.60 116.57 125.89 2c9d h LYS 138 Ca -0.11 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2c9d h LYS 138 Cb 0.99 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 2c9d h LYS 138 CO 0.41 0.36 0.30 0.78 -0.57 0.00 0.00 179.45 180.73 2c9d h GLY 139 N 0.58 0.86 0.55 3.86 0.00 -1.83 -1.37 103.07 105.72 2c9d h GLY 139 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 2c9d h GLY 139 CO -0.01 0.37 -0.34 0.00 0.00 0.00 0.00 176.54 176.56 2c9d h ALA 140 N 1.52 0.05 -0.54 3.60 0.00 -1.68 -3.07 119.26 119.14 2c9d h ALA 140 Ca 0.21 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 140 Cb 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2c9d h ALA 140 CO -0.03 0.15 0.27 1.96 0.00 0.00 0.00 179.25 181.60 2c9d h GLN 141 N -0.37 0.50 -0.53 0.00 4.20 -1.39 -2.08 115.11 115.44 2c9d h GLN 141 Ca -0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2c9d h GLN 141 Cb 1.07 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.71 2c9d h GLN 141 CO 0.07 0.33 0.32 0.00 -0.67 0.00 0.00 178.83 178.88 2c9d h ALA 142 N 1.30 0.67 -0.52 3.87 0.00 -1.34 -1.54 119.26 121.71 2c9d h ALA 142 Ca 0.24 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 2c9d h ALA 142 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2c9d h ALA 142 CO -0.18 0.15 -0.17 1.15 0.00 0.00 0.00 179.25 180.21 2c9d h THR 143 N 0.71 1.27 -0.76 0.00 2.02 -1.41 -1.28 112.91 113.45 2c9d h THR 143 Ca 0.19 -1.33 0.04 0.00 0.77 0.00 0.00 66.41 66.08 2c9d h THR 143 Cb -0.02 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 2c9d h THR 143 CO -0.04 0.47 0.50 0.58 0.37 0.00 0.00 175.52 177.40 2c9d h VAL 144 N 0.90 1.09 -0.30 3.16 2.07 -1.23 -1.63 116.25 120.30 2c9d h VAL 144 Ca 0.13 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 2c9d h VAL 144 Cb 0.74 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2c9d h VAL 144 CO 0.06 0.16 -0.36 0.00 0.02 0.00 0.00 177.57 177.45 2c9d h ALA 145 N 1.57 0.44 0.23 1.67 0.00 -0.79 -2.82 119.26 119.56 2c9d h ALA 145 Ca 0.31 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2c9d h ALA 145 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2c9d h ALA 145 CO -0.10 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.56 2c9d h ALA 146 N 0.70 -0.31 -0.79 0.00 0.00 -0.94 -2.62 119.26 115.30 2c9d h ALA 146 Ca 0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2c9d h ALA 146 Cb 0.95 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2c9d h ALA 146 CO 0.09 -0.56 0.39 -0.07 0.00 0.00 0.00 179.25 179.10 2c9d h LEU 147 N -0.52 1.01 -0.40 0.00 3.38 -1.40 -1.81 115.31 115.57 2c9d h LEU 147 Ca -0.03 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 2c9d h LEU 147 Cb 0.39 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2c9d h LEU 147 CO 0.05 0.84 -0.25 0.00 0.09 0.00 0.00 178.44 179.17 2c9d h ALA 148 N 1.32 0.57 -0.36 1.53 0.00 -1.55 -2.40 119.26 118.37 2c9d h ALA 148 Ca 0.27 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2c9d h ALA 148 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2c9d h ALA 148 CO -0.04 0.57 -0.14 1.15 0.00 0.00 0.00 179.25 180.79 2c9d h THR 149 N 0.69 1.25 -0.59 0.00 2.02 -1.27 -2.04 112.91 112.96 2c9d h THR 149 Ca 0.08 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.07 2c9d h THR 149 Cb 0.82 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2c9d h THR 149 CO 0.07 0.38 0.18 0.00 0.37 0.00 0.00 175.52 176.52 2c9d h ALA 150 N 1.26 0.78 -0.66 6.16 0.00 -1.26 -1.95 119.26 123.59 2c9d h ALA 150 Ca 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2c9d h ALA 150 Cb 0.58 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2c9d h ALA 150 CO 0.04 0.45 0.16 -0.07 0.00 0.00 0.00 179.25 179.83 2c9d h LEU 151 N 0.85 1.01 -0.02 0.00 3.38 -1.21 -1.71 115.31 117.60 2c9d h LEU 151 Ca 0.19 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2c9d h LEU 151 Cb 0.30 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2c9d h LEU 151 CO -0.00 0.98 0.01 0.74 0.09 0.00 0.00 178.44 180.26 2c9d h THR 152 N 0.99 1.09 -0.78 0.22 2.02 -1.28 -2.29 112.91 112.89 2c9d h THR 152 Ca 0.21 -0.27 0.03 0.00 0.77 0.00 0.00 66.41 67.15 2c9d h THR 152 Cb 0.37 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2c9d h THR 152 CO 0.00 0.07 0.51 -0.07 0.37 0.00 0.00 175.52 176.41 2c9d h LEU 153 N -0.09 0.82 -0.74 2.58 3.38 -1.29 -0.57 115.31 119.40 2c9d h LEU 153 Ca 0.01 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2c9d h LEU 153 Cb 0.11 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2c9d h LEU 153 CO -0.00 0.57 0.43 0.03 0.09 0.00 0.00 178.44 179.56 2c9d h ARG 154 N 0.96 0.77 -0.08 1.13 2.47 -1.10 -1.53 114.38 116.99 2c9d h ARG 154 Ca 0.31 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.81 2c9d h ARG 154 Cb 0.03 -0.17 0.01 0.00 -1.65 0.00 0.00 29.97 28.19 2c9d h ARG 154 CO -0.09 0.51 -0.61 1.49 0.56 0.00 0.00 179.97 181.84 2c9d h GLU 155 N 0.79 0.55 -0.47 0.04 4.57 -0.72 -3.29 114.58 116.05 2c9d h GLU 155 Ca 0.33 -0.49 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 2c9d h GLU 155 Cb 0.18 0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2c9d h GLU 155 CO -0.18 1.11 0.09 -0.07 -1.18 0.00 0.00 179.01 178.79 2c9d h LEU 156 N 0.14 0.74-10.43 1.64 3.38 -1.09 -3.46 115.31 106.22 2c9d h LEU 156 Ca -0.05 -0.25 -0.42 0.00 0.09 0.00 0.00 57.88 57.25 2c9d h LEU 156 Cb 1.27 -0.20 0.19 0.00 0.09 0.00 0.00 40.66 42.01 2c9d h LEU 156 CO 0.12 0.80 0.15 -0.13 0.09 0.00 0.00 178.44 179.48 2c9d s ARG 157 N -5.24 -1.15 -0.17 1.13 0.52 -0.58 -4.91 118.95 108.56 2c9d s ARG 157 Ca -0.13 -0.12 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 2c9d s ARG 157 Cb 0.11 -1.61 -0.04 0.00 0.52 0.00 0.00 34.95 33.93 2c9d s ARG 157 CO 0.79 -3.65 1.84 0.00 0.02 0.00 0.00 175.30 174.30 2c9d s ALA 158 N -3.08 3.19 0.12 2.13 0.00 -1.26 -4.98 121.76 117.88 2c9d s ALA 158 Ca 0.71 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 2c9d s ALA 158 Cb -0.09 -3.91 0.01 0.00 0.00 0.00 0.00 23.12 19.13 2c9d s ALA 158 CO 0.56 -2.09 0.28 -3.38 0.00 0.00 0.00 175.76 171.12 2c9d s HIS 159 N 5.84 0.08 -0.75 0.00 -3.43 -1.26 -5.11 115.29 110.65 2c9d s HIS 159 Ca 0.82 -0.46 0.06 0.00 -0.80 0.00 0.00 55.06 54.68 2c9d s HIS 159 Cb -0.31 0.05 0.05 0.00 -1.43 0.00 0.00 32.58 30.95 2c9d s HIS 159 CO 0.33 -0.64 0.69 -1.13 -2.00 0.00 0.00 174.74 172.00