#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9d h SER 16 N 0.00 0.00 0.00 0.00 0.02 -1.87 -2.91 113.55 108.79 2c9d h SER 16 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2c9d h SER 16 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2c9d h SER 16 CO 0.00 0.00 -1.17 0.61 -1.14 0.00 0.00 176.83 175.13 2c9d n GLY 17 N -0.45 -1.00 3.77 -3.77 0.00 -1.26 -4.91 105.19 97.58 2c9d n GLY 17 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 2c9d n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c9d s VAL 18 N -3.09 4.00 -0.43 1.61 0.11 -1.10 -5.03 120.40 116.48 2c9d s VAL 18 Ca 0.05 1.72 -0.14 0.00 -2.93 0.00 0.00 61.98 60.68 2c9d s VAL 18 Cb 0.16 -3.98 0.05 0.00 -1.53 0.00 0.00 36.38 31.07 2c9d s VAL 18 CO 0.88 0.19 0.32 -0.13 -3.33 0.00 0.00 175.10 173.03 2c9d s ARG 19 N -1.95 2.92 -0.10 1.54 0.52 -1.26 -5.01 118.95 115.61 2c9d s ARG 19 Ca 0.50 -1.19 -0.06 0.00 -0.52 0.00 0.00 55.73 54.46 2c9d s ARG 19 Cb -0.22 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.22 2c9d s ARG 19 CO 0.28 -0.87 0.13 -1.17 0.02 0.00 0.00 175.30 173.69 2c9d s LEU 20 N 1.63 4.31 0.02 2.53 2.96 -1.26 -0.83 118.68 128.04 2c9d s LEU 20 Ca 0.04 0.42 0.04 0.00 -0.22 0.00 0.00 54.13 54.41 2c9d s LEU 20 Cb -0.21 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 2c9d s LEU 20 CO 0.08 0.39 -0.13 0.00 -1.32 0.00 0.00 176.35 175.36 2c9d s ALA 21 N -1.06 1.09 -0.10 5.97 0.00 -0.65 -2.28 121.76 124.73 2c9d s ALA 21 Ca 0.16 -0.73 -0.00 0.00 0.00 0.00 0.00 51.96 51.40 2c9d s ALA 21 Cb -0.12 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2c9d s ALA 21 CO 0.06 0.22 -0.07 0.42 0.00 0.00 0.00 175.76 176.39 2c9d s ILE 22 N -0.70 0.90 -0.15 0.00 1.01 0.20 -1.10 121.20 121.35 2c9d s ILE 22 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2c9d s ILE 22 Cb -0.07 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2c9d s ILE 22 CO 0.01 0.34 -0.21 0.54 0.00 0.00 0.00 174.94 175.62 2c9d s VAL 23 N 1.59 2.08 -0.02 2.92 0.11 -0.31 -0.67 120.40 126.10 2c9d s VAL 23 Ca 0.02 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2c9d s VAL 23 Cb -0.13 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 32.88 2c9d s VAL 23 CO -0.06 0.55 -0.09 0.00 -3.33 0.00 0.00 175.10 172.17 2c9d s ALA 24 N 0.97 0.80 0.55 1.54 0.00 -0.74 -1.31 121.76 123.57 2c9d s ALA 24 Ca -0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 2c9d s ALA 24 Cb -0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 2c9d s ALA 24 CO -0.05 0.15 0.92 -1.54 0.00 0.00 0.00 175.76 175.23 2c9d s SER 25 N 0.05 6.25 -0.11 0.00 1.04 -0.71 -1.97 113.70 118.26 2c9d s SER 25 Ca -0.01 1.20 0.17 0.00 0.48 0.00 0.00 55.95 57.78 2c9d s SER 25 Cb -0.07 -2.37 -0.24 0.00 0.10 0.00 0.00 66.02 63.44 2c9d s SER 25 CO 0.00 -0.73 0.21 -1.20 0.98 0.00 0.00 173.24 172.50 2c9d n SER 26 N -2.50 0.79 -4.60 7.02 7.64 -0.60 -4.82 113.62 116.56 2c9d n SER 26 Ca 0.03 0.00 -0.55 0.00 1.01 0.00 0.00 58.87 59.37 2c9d n SER 26 Cb 0.54 1.32 -0.07 0.00 -1.01 0.00 0.00 64.21 65.00 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 -2.42 1.48 -2.95 1.43 -0.00 -1.22 -1.95 117.44 111.80 2c9d n TRP 27 Ca -0.17 0.70 -0.09 0.00 -0.00 0.00 0.00 57.50 57.94 2c9d n TRP 27 Cb 0.80 -2.31 0.01 0.00 -0.00 0.00 0.00 31.31 29.81 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 2.89 -3.32 -0.19 5.87 8.25 -1.26 -4.65 115.22 122.81 2c9d n HIS 28 Ca 0.20 1.33 -0.09 0.00 -0.26 0.00 0.00 57.72 58.90 2c9d n HIS 28 Cb 0.15 -3.92 0.01 0.00 1.12 0.00 0.00 29.99 27.36 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 1.67 0.98 0.81 -1.41 0.00 -1.76 -3.04 103.07 100.32 2c9d h GLY 29 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.62 2c9d h GLY 29 CO 0.22 0.62 -0.08 1.70 0.00 0.00 0.00 176.54 179.00 2c9d h LYS 30 N 0.80 -0.15 -0.82 4.80 3.64 -1.93 -2.05 116.57 120.86 2c9d h LYS 30 Ca 0.16 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2c9d h LYS 30 Cb 0.44 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 2c9d h LYS 30 CO 0.01 -0.10 0.47 0.82 -2.27 0.00 0.00 179.45 178.39 2c9d h ILE 31 N -0.16 1.23 -0.65 2.00 2.04 -1.94 -2.50 117.51 117.53 2c9d h ILE 31 Ca 0.03 -0.54 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2c9d h ILE 31 Cb 0.19 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 2c9d h ILE 31 CO -0.07 0.25 0.35 0.00 0.00 0.00 0.00 178.15 178.68 2c9d h ASP 33 N 0.64 0.94 0.44 0.00 3.45 -0.94 0.15 116.42 121.10 2c9d h ASP 33 Ca 0.30 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 2c9d h ASP 33 Cb 0.22 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2c9d h ASP 33 CO -0.20 0.65 -0.21 0.00 -1.57 0.00 0.00 179.24 177.91 2c9d h ALA 34 N 1.36 -0.59 -0.63 3.45 0.00 -1.10 0.47 119.26 122.23 2c9d h ALA 34 Ca 0.34 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2c9d h ALA 34 Cb -0.01 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2c9d h ALA 34 CO -0.11 -0.78 0.24 -0.07 0.00 0.00 0.00 179.25 178.52 2c9d h LEU 35 N -0.69 0.23 -1.14 0.00 3.38 -0.89 -0.80 115.31 115.40 2c9d h LEU 35 Ca -0.06 0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2c9d h LEU 35 Cb 0.50 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2c9d h LEU 35 CO 0.10 0.13 0.08 0.25 0.09 0.00 0.00 178.44 179.08 2c9d h LEU 36 N 0.41 0.63 -0.60 1.67 5.85 -0.64 -2.85 115.31 119.79 2c9d h LEU 36 Ca 0.32 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2c9d h LEU 36 Cb 0.41 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2c9d h LEU 36 CO -0.32 0.66 0.11 -0.78 -0.34 0.00 0.00 178.44 177.76 2c9d h ASP 37 N 0.66 0.95 -0.43 1.25 -0.00 0.48 -2.60 116.42 116.72 2c9d h ASP 37 Ca 0.14 -0.26 -0.03 0.00 -0.00 0.00 0.00 57.03 56.89 2c9d h ASP 37 Cb 0.30 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.36 2c9d h ASP 37 CO 0.00 0.96 0.16 1.23 -0.00 0.00 0.00 179.24 181.60 2c9d h GLY 38 N 0.90 0.70 0.91 -0.78 0.00 -1.15 -2.79 103.07 100.86 2c9d h GLY 38 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2c9d h GLY 38 CO 0.01 0.37 0.11 0.00 0.00 0.00 0.00 176.54 177.03 2c9d h ALA 39 N 1.01 0.26 -0.71 3.60 0.00 -1.42 -2.62 119.26 119.38 2c9d h ALA 39 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2c9d h ALA 39 Cb 0.22 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2c9d h ALA 39 CO -0.01 -0.30 0.35 0.00 0.00 0.00 0.00 179.25 179.29 2c9d h ARG 40 N 0.23 1.01 0.19 0.00 3.08 -1.46 -0.94 114.38 116.49 2c9d h ARG 40 Ca 0.09 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2c9d h ARG 40 Cb 0.02 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2c9d h ARG 40 CO -0.06 0.77 -0.09 0.87 -1.07 0.00 0.00 179.97 180.39 2c9d h LYS 41 N 1.01 -0.25 -0.94 0.04 1.57 -1.33 -0.50 116.57 116.17 2c9d h LYS 41 Ca 0.25 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 2c9d h LYS 41 Cb 0.09 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.39 2c9d h LYS 41 CO -0.03 -0.06 0.59 0.28 -0.57 0.00 0.00 179.45 179.66 2c9d h VAL 42 N -0.39 1.04 -0.19 0.50 2.07 -1.35 -0.68 116.25 117.25 2c9d h VAL 42 Ca -0.03 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2c9d h VAL 42 Cb 0.30 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2c9d h VAL 42 CO 0.04 0.19 0.03 0.00 0.02 0.00 0.00 177.57 177.86 2c9d h ALA 43 N 1.45 0.19 -0.59 1.67 0.00 -0.90 -2.20 119.26 118.87 2c9d h ALA 43 Ca 0.42 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2c9d h ALA 43 Cb 0.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2c9d h ALA 43 CO -0.19 -0.40 -0.02 0.00 0.00 0.00 0.00 179.25 178.64 2c9d h ALA 44 N 1.14 0.84 -0.90 0.00 0.00 -0.61 -1.47 119.26 118.25 2c9d h ALA 44 Ca 0.08 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.75 2c9d h ALA 44 Cb 0.08 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2c9d h ALA 44 CO -0.11 0.67 0.59 0.78 0.00 0.00 0.00 179.25 181.17 2c9d h GLY 45 N 0.98 1.32 -1.02 0.00 0.00 -0.96 -2.15 103.07 101.25 2c9d h GLY 45 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2c9d h GLY 45 CO 0.03 0.29 0.00 0.00 0.00 0.00 0.00 176.54 176.86 2c9d n GLY 47 N 0.96 0.75 3.30 0.00 0.00 -0.81 -3.81 105.19 105.59 2c9d n GLY 47 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 6.15 0.35 0.99 1.43 -0.58 -4.79 118.68 122.24 2c9d s LEU 48 Ca 0.00 -1.87 0.21 0.00 -1.03 0.00 0.00 54.13 51.44 2c9d s LEU 48 Cb 0.00 -2.18 0.21 0.00 0.03 0.00 0.00 46.19 44.25 2c9d s LEU 48 CO 0.00 -0.82 1.44 0.44 0.23 0.00 0.00 176.35 177.65 2c9d h ASP 49 N 8.75 0.00 -2.33 2.29 5.19 -1.87 -3.10 116.42 125.34 2c9d h ASP 49 Ca -0.26 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.59 2c9d h ASP 49 Cb 1.09 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 40.23 2c9d h ASP 49 CO 0.99 0.10 -0.91 -1.81 -3.12 0.00 0.00 179.24 174.50 2c9d s ASP 50 N -6.07 1.66 0.64 6.45 1.01 -1.26 -4.93 116.67 114.16 2c9d s ASP 50 Ca 0.05 -2.70 -0.10 0.00 0.71 0.00 0.00 52.55 50.51 2c9d s ASP 50 Cb 0.06 -0.26 -0.02 0.00 1.01 0.00 0.00 42.92 43.71 2c9d s ASP 50 CO 0.71 -0.21 1.03 -2.16 0.21 0.00 0.00 175.17 174.75 2c9d s PRO 51 N 0.44 3.32 -0.26 8.23 0.04 -1.26 -5.00 135.00 140.50 2c9d s PRO 51 Ca 0.28 0.57 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2c9d s PRO 51 Cb -0.04 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2c9d s PRO 51 CO -0.13 -0.70 1.06 0.99 0.04 0.00 0.00 177.00 178.27 2c9d s THR 52 N -3.19 4.60 -0.13 1.26 2.01 -0.97 -4.95 115.64 114.27 2c9d s THR 52 Ca 0.55 1.90 -0.00 0.00 0.31 0.00 0.00 61.69 64.45 2c9d s THR 52 Cb -0.11 -4.33 -0.01 0.00 0.01 0.00 0.00 72.50 68.05 2c9d s THR 52 CO 0.52 -0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.35 2c9d s VAL 53 N 3.38 3.06 -0.05 3.82 1.01 -1.26 0.59 120.40 130.96 2c9d s VAL 53 Ca 0.45 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2c9d s VAL 53 Cb -0.14 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2c9d s VAL 53 CO 0.10 0.52 -0.09 -0.69 0.00 0.00 0.00 175.10 174.94 2c9d s VAL 54 N 0.40 0.84 -0.03 2.92 1.01 0.15 -4.99 120.40 120.70 2c9d s VAL 54 Ca -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 2c9d s VAL 54 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2c9d s VAL 54 CO 0.05 0.28 0.06 -0.13 0.00 0.00 0.00 175.10 175.36 2c9d s ARG 55 N 0.58 3.04 0.33 2.72 1.81 -1.26 -1.78 118.95 124.39 2c9d s ARG 55 Ca -0.10 -0.45 0.05 0.00 -1.72 0.00 0.00 55.73 53.50 2c9d s ARG 55 Cb -0.13 -2.85 -0.06 0.00 -0.45 0.00 0.00 34.95 31.46 2c9d s ARG 55 CO 0.02 0.67 0.03 0.14 -0.68 0.00 0.00 175.30 175.47 2c9d s VAL 56 N -1.10 1.38 0.01 3.52 -7.23 -0.83 -4.95 120.40 111.20 2c9d s VAL 56 Ca 0.20 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2c9d s VAL 56 Cb -0.12 -2.76 -0.28 0.00 0.56 0.00 0.00 36.38 33.79 2c9d s VAL 56 CO 0.10 -0.06 0.90 0.25 -0.31 0.00 0.00 175.10 175.98 2c9d h LEU 57 N 2.10 0.41 -8.38 1.32 5.85 -1.95 -1.59 115.31 113.07 2c9d h LEU 57 Ca -0.41 -0.54 -0.17 0.00 0.84 0.00 0.00 57.88 57.60 2c9d h LEU 57 Cb 1.24 -0.13 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 2c9d h LEU 57 CO 0.71 1.45 -0.63 -0.83 -0.34 0.00 0.00 178.44 178.80 2c9d s GLY 58 N -4.90 0.89 0.30 3.75 0.00 -1.26 -3.45 107.32 102.65 2c9d s GLY 58 Ca -0.08 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.28 2c9d s GLY 58 CO 0.86 -1.32 1.77 0.00 0.00 0.00 0.00 173.10 174.41 2c9d h ALA 59 N 2.88 1.19 0.00 3.20 0.00 -1.94 -2.77 119.26 121.83 2c9d h ALA 59 Ca -0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 2c9d h ALA 59 Cb 1.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2c9d h ALA 59 CO 0.59 0.52 -0.05 0.82 0.00 0.00 0.00 179.25 181.13 2c9d h ILE 60 N 0.39 0.75 -0.00 0.00 2.04 -1.97 -1.79 117.51 116.93 2c9d h ILE 60 Ca 0.06 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2c9d h ILE 60 Cb 0.60 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2c9d h ILE 60 CO 0.04 0.05 -0.06 -0.62 0.00 0.00 0.00 178.15 177.56 2c9d n GLU 61 N -4.06 0.75 0.18 2.37 4.71 -1.04 -4.28 120.64 119.28 2c9d n GLU 61 Ca -0.03 -0.20 -0.14 0.00 -0.01 0.00 0.00 57.16 56.79 2c9d n GLU 61 Cb 0.14 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.99 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 0.48 0.68 -0.62 -3.67 2.04 -1.40 -3.29 117.51 111.73 2c9d h ILE 62 Ca 0.00 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.58 2c9d h ILE 62 Cb 0.29 0.88 -0.09 0.00 -0.74 0.00 0.00 36.82 37.17 2c9d h ILE 62 CO 0.00 0.08 0.16 -0.65 0.00 0.00 0.00 178.15 177.73 2c9d h PRO 63 N -0.68 0.28 0.00 2.37 0.11 -1.78 -1.68 132.00 130.63 2c9d h PRO 63 Ca -0.05 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2c9d h PRO 63 Cb 0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2c9d h PRO 63 CO 0.08 0.19 -0.21 -0.24 -0.21 0.00 0.00 178.00 177.60 2c9d h VAL 64 N 0.29 0.97 0.00 3.15 3.04 -1.84 -2.03 116.25 119.83 2c9d h VAL 64 Ca 0.32 -0.77 -0.21 0.00 -1.01 0.00 0.00 66.70 65.03 2c9d h VAL 64 Cb 0.48 1.44 -0.03 0.00 -2.01 0.00 0.00 31.29 31.16 2c9d h VAL 64 CO -0.39 0.21 -1.17 0.58 -1.01 0.00 0.00 177.57 175.78 2c9d h VAL 65 N 0.00 1.16 -0.25 1.51 2.07 -1.44 -3.27 116.25 116.03 2c9d h VAL 65 Ca -0.00 -2.82 -0.14 0.00 0.82 0.00 0.00 66.70 64.56 2c9d h VAL 65 Cb 0.42 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2c9d h VAL 65 CO 0.03 0.66 -0.41 0.00 0.02 0.00 0.00 177.57 177.87 2c9d h ALA 66 N 1.14 0.82 -0.43 1.67 0.00 -0.97 -2.19 119.26 119.30 2c9d h ALA 66 Ca -0.11 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.41 2c9d h ALA 66 Cb 1.75 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2c9d h ALA 66 CO 0.09 0.65 0.18 0.37 0.00 0.00 0.00 179.25 180.54 2c9d h GLN 67 N 0.49 0.35 -0.43 0.00 4.15 -1.45 0.13 115.11 118.35 2c9d h GLN 67 Ca 0.04 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 2c9d h GLN 67 Cb 0.92 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 2c9d h GLN 67 CO 0.08 0.23 -0.14 1.49 -1.93 0.00 0.00 178.83 178.56 2c9d h GLU 68 N 0.37 0.85 -0.05 1.69 4.57 -1.58 -2.96 114.58 117.47 2c9d h GLU 68 Ca 0.20 -0.35 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2c9d h GLU 68 Cb 0.16 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2c9d h GLU 68 CO -0.18 0.98 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.39 2c9d h LEU 69 N 0.68 0.07 -1.28 1.64 3.38 -1.12 -2.94 115.31 115.73 2c9d h LEU 69 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c9d h LEU 69 Cb 0.69 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2c9d h LEU 69 CO 0.05 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.83 2c9d h ALA 70 N 1.76 1.00 0.00 1.53 0.00 -0.79 -2.93 119.26 119.83 2c9d h ALA 70 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2c9d h ALA 70 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2c9d h ALA 70 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 2c9d n ARG 71 N -2.68 0.64 -0.17 0.00 1.74 -1.11 -3.97 116.66 111.10 2c9d n ARG 71 Ca 0.01 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 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 -1.15 0.00 -4.04 0.55 5.15 -1.11 -5.12 115.26 109.53 2c9d n ASN 72 Ca 0.17 -1.22 -0.08 0.00 -0.60 0.00 0.00 54.58 52.86 2c9d n ASN 72 Cb 0.16 -0.04 -0.10 0.00 -0.53 0.00 0.00 39.78 39.27 2c9d n ASN 72 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2c9d s HIS 73 N 0.00 0.43 -0.70 1.20 3.76 -1.18 -5.01 115.29 113.80 2c9d s HIS 73 Ca 0.00 -0.92 0.23 0.00 -0.15 0.00 0.00 55.06 54.23 2c9d s HIS 73 Cb 0.00 -0.32 0.19 0.00 1.11 0.00 0.00 32.58 33.56 2c9d s HIS 73 CO 0.00 -0.37 1.16 -0.25 -0.85 0.00 0.00 174.74 174.43 2c9d n ASP 74 N 0.32 0.63 -3.64 1.40 8.00 -0.01 -4.86 116.55 118.40 2c9d n ASP 74 Ca -0.16 -0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.04 2c9d n ASP 74 Cb 0.60 0.55 -0.07 0.00 -0.02 0.00 0.00 41.12 42.18 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 -3.15 -1.71 -0.05 2.24 0.00 -1.14 -4.41 121.76 113.54 2c9d s ALA 75 Ca 0.06 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.02 2c9d s ALA 75 Cb 0.15 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 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 0.39 1.51 -0.18 0.00 1.01 -0.81 -1.64 120.40 120.67 2c9d s VAL 76 Ca -0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2c9d s VAL 76 Cb -0.05 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 2c9d s VAL 76 CO 0.01 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 2c9d s VAL 77 N 0.07 3.23 -0.19 2.92 1.01 -0.26 -0.59 120.40 126.60 2c9d s VAL 77 Ca -0.05 -0.56 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2c9d s VAL 77 Cb -0.12 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2c9d s VAL 77 CO 0.03 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.66 2c9d s ALA 78 N 1.03 3.37 -0.02 5.51 0.00 -0.87 -1.16 121.76 129.62 2c9d s ALA 78 Ca -0.00 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.22 2c9d s ALA 78 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 2c9d s ALA 78 CO -0.01 0.09 -0.18 -0.51 0.00 0.00 0.00 175.76 175.16 2c9d s LEU 79 N 0.53 2.01 0.00 0.00 1.43 -0.43 -0.83 118.68 121.40 2c9d s LEU 79 Ca 0.03 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2c9d s LEU 79 Cb -0.13 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.16 2c9d s LEU 79 CO 0.01 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.41 2c9d n GLY 80 N 2.72 0.14 2.90 -3.19 0.00 -1.14 -1.74 105.19 104.88 2c9d n GLY 80 Ca -0.15 -0.91 -0.23 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 0.73 -0.20 1.61 1.01 -1.26 -0.21 120.40 120.08 2c9d s VAL 81 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2c9d s VAL 81 Cb 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2c9d s VAL 81 CO 0.00 0.29 -0.18 -0.69 0.00 0.00 0.00 175.10 174.52 2c9d s VAL 82 N 1.20 2.07 -0.13 2.92 1.01 -0.21 -4.91 120.40 122.36 2c9d s VAL 82 Ca -0.06 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 2c9d s VAL 82 Cb -0.14 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 2c9d s VAL 82 CO -0.02 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 2c9d s ILE 83 N 1.25 3.54 0.45 2.22 1.01 -1.26 -2.37 121.20 126.03 2c9d s ILE 83 Ca 0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.92 2c9d s ILE 83 Cb -0.15 -2.51 -0.08 0.00 0.01 0.00 0.00 42.46 39.74 2c9d s ILE 83 CO -0.11 0.53 1.31 -0.60 0.00 0.00 0.00 174.94 176.07 2c9d s ARG 84 N 0.11 3.71 0.00 2.79 3.52 -1.11 -4.96 118.95 123.01 2c9d s ARG 84 Ca -0.03 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 57.72 2c9d s ARG 84 Cb -0.14 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.67 2c9d s ARG 84 CO 0.04 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.23 2c9d n GLY 85 N 0.63 4.02 0.31 8.12 0.00 -1.26 -4.93 105.19 112.07 2c9d n GLY 85 Ca 0.06 -1.68 0.08 0.00 0.00 0.00 0.00 46.02 44.48 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 1.61 -4.38 1.61 6.02 -1.26 -4.99 117.38 115.98 2c9d n GLN 86 Ca 0.00 -0.67 -0.25 0.00 -0.01 0.00 0.00 57.00 56.07 2c9d n GLN 86 Cb 0.00 -1.30 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.11 2.50 -2.00 5.09 -4.23 -1.26 -5.01 115.64 108.62 2c9d s THR 87 Ca 0.12 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2c9d s THR 87 Cb 0.13 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2c9d s THR 87 CO 0.48 -0.18 0.55 -2.65 -0.54 0.00 0.00 174.62 172.28 2c9d n PRO 88 N -0.93 0.54 -0.24 3.99 -0.02 -1.26 -3.73 135.00 133.34 2c9d n PRO 88 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.41 2c9d n PRO 88 Cb 0.63 -1.01 0.14 0.00 -0.02 0.00 0.00 33.50 33.25 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 1.07 -0.87 6.00 2.76 -1.98 -2.48 115.15 119.65 2c9d h HIS 89 Ca 0.00 -0.05 0.21 0.00 -2.20 0.00 0.00 60.37 58.34 2c9d h HIS 89 Cb 0.00 -0.33 -0.12 0.00 1.55 0.00 0.00 27.41 28.50 2c9d h HIS 89 CO 0.00 0.78 0.35 0.35 -1.30 0.00 0.00 177.93 178.11 2c9d h PHE 90 N 1.07 0.57 -0.22 5.26 3.57 -1.93 -0.69 116.94 124.56 2c9d h PHE 90 Ca 0.26 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2c9d h PHE 90 Cb 0.12 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2c9d h PHE 90 CO 0.01 -0.07 0.07 -0.44 -2.23 0.00 0.00 178.31 175.65 2c9d h ASP 91 N 0.36 0.28 0.81 0.41 3.32 -1.74 -3.04 116.42 116.82 2c9d h ASP 91 Ca 0.54 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.38 2c9d h ASP 91 Cb 1.02 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 2c9d h ASP 91 CO -0.54 0.28 -1.29 1.88 -1.72 0.00 0.00 179.24 177.84 2c9d h TYR 92 N 0.31 0.00 -0.12 4.55 0.05 -1.20 -2.87 116.97 117.68 2c9d h TYR 92 Ca 0.08 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 2c9d h TYR 92 Cb 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2c9d h TYR 92 CO 0.00 0.68 -0.00 0.28 -1.05 0.00 0.00 178.16 178.07 2c9d h VAL 93 N 0.00 1.25 -0.24 -2.88 2.07 -1.39 -2.93 116.25 112.13 2c9d h VAL 93 Ca -0.15 -0.83 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 2c9d h VAL 93 Cb 1.65 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2c9d h VAL 93 CO 0.06 0.24 -0.22 0.00 0.02 0.00 0.00 177.57 177.67 2c9d h ASP 95 N 0.39 0.09 -0.21 0.00 5.19 -1.49 -2.09 116.42 118.30 2c9d h ASP 95 Ca 0.06 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2c9d h ASP 95 Cb 0.61 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 2c9d h ASP 95 CO 0.04 0.08 0.12 0.00 -3.12 0.00 0.00 179.24 176.37 2c9d h ALA 96 N 1.18 0.27 -0.47 3.45 0.00 -1.39 -2.24 119.26 120.06 2c9d h ALA 96 Ca 0.12 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2c9d h ALA 96 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2c9d h ALA 96 CO -0.14 -0.22 0.23 0.28 0.00 0.00 0.00 179.25 179.40 2c9d h VAL 97 N 0.25 0.96 0.15 0.00 2.07 -1.42 0.67 116.25 118.93 2c9d h VAL 97 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2c9d h VAL 97 Cb 0.03 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 2c9d h VAL 97 CO -0.01 0.08 -0.23 0.74 0.02 0.00 0.00 177.57 178.17 2c9d h THR 98 N 0.46 0.50 -0.51 2.57 2.02 -1.26 -2.10 112.91 114.60 2c9d h THR 98 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 2c9d h THR 98 Cb 0.11 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2c9d h THR 98 CO -0.14 0.00 0.19 1.56 0.37 0.00 0.00 175.52 177.49 2c9d h GLN 99 N -0.44 0.77 0.55 6.66 4.20 -1.17 -2.86 115.11 122.82 2c9d h GLN 99 Ca 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2c9d h GLN 99 Cb 0.45 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.11 2c9d h GLN 99 CO -0.10 0.70 -0.26 0.78 -0.67 0.00 0.00 178.83 179.27 2c9d h GLY 100 N 0.68 -0.77 1.00 3.46 0.00 -0.81 -2.37 103.07 104.26 2c9d h GLY 100 Ca 0.17 0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.74 2c9d h GLY 100 CO -0.01 -0.28 0.22 1.41 0.00 0.00 0.00 176.54 177.88 2c9d h LEU 101 N -0.83 0.87 -0.54 3.11 3.38 -1.45 -1.44 115.31 118.40 2c9d h LEU 101 Ca -0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2c9d h LEU 101 Cb 0.60 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2c9d h LEU 101 CO 0.12 0.82 0.33 0.74 0.09 0.00 0.00 178.44 180.55 2c9d h THR 102 N 0.86 1.07 -0.79 0.22 2.02 -1.57 -1.76 112.91 112.96 2c9d h THR 102 Ca 0.20 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 2c9d h THR 102 Cb 0.24 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2c9d h THR 102 CO -0.01 0.12 0.30 -0.09 0.37 0.00 0.00 175.52 176.21 2c9d h ARG 103 N 0.66 1.19 -0.27 6.66 2.43 -1.08 -3.03 114.38 120.94 2c9d h ARG 103 Ca 0.22 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 2c9d h ARG 103 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2c9d h ARG 103 CO -0.09 0.97 0.00 0.28 -1.51 0.00 0.00 179.97 179.63 2c9d h VAL 104 N 1.15 1.25 -0.57 0.20 2.07 -0.94 -1.86 116.25 117.55 2c9d h VAL 104 Ca 0.26 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.96 2c9d h VAL 104 Cb 0.24 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2c9d h VAL 104 CO -0.02 0.29 0.23 0.77 0.02 0.00 0.00 177.57 178.86 2c9d h SER 105 N 0.25 0.26 0.87 0.57 4.64 -1.31 -2.07 113.55 116.76 2c9d h SER 105 Ca 0.08 0.06 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 2c9d h SER 105 Cb 0.41 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2c9d h SER 105 CO 0.01 0.17 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.05 2c9d h LEU 106 N 0.43 0.11 -0.37 5.97 3.38 -1.49 -0.09 115.31 123.24 2c9d h LEU 106 Ca 0.28 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2c9d h LEU 106 Cb 0.30 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2c9d h LEU 106 CO -0.26 1.06 0.18 0.44 0.09 0.00 0.00 178.44 179.95 2c9d h ASP 107 N 0.02 0.26 -0.03 -0.43 3.45 -1.16 -3.27 116.42 115.27 2c9d h ASP 107 Ca -0.04 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.44 2c9d h ASP 107 Cb 1.76 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.50 2c9d h ASP 107 CO 0.14 0.19 -0.01 -1.54 -1.57 0.00 0.00 179.24 176.45 2c9d n SER 108 N -4.94 2.68 -3.83 6.45 3.41 -0.79 -4.98 113.62 111.61 2c9d n SER 108 Ca 0.01 -1.84 -0.25 0.00 -0.26 0.00 0.00 58.87 56.53 2c9d n SER 108 Cb 0.10 0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.12 -2.24 -3.93 4.04 7.64 -0.12 -4.99 113.62 115.14 2c9d n SER 109 Ca 0.12 -0.85 -0.19 0.00 1.01 0.00 0.00 58.87 58.96 2c9d n SER 109 Cb 0.51 -3.78 -0.16 0.00 -1.01 0.00 0.00 64.21 59.77 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 -3.59 0.57 -0.05 0.44 2.01 -0.78 -5.05 115.64 109.20 2c9d s THR 110 Ca 0.24 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2c9d s THR 110 Cb -0.12 -0.56 -0.07 0.00 0.01 0.00 0.00 72.50 71.76 2c9d s THR 110 CO 0.84 0.21 1.94 -2.84 -0.69 0.00 0.00 174.62 174.08 2c9d s PRO 111 N 0.57 3.91 -0.67 4.92 0.02 -1.26 -4.41 135.00 138.07 2c9d s PRO 111 Ca -0.08 2.34 -0.07 0.00 0.02 0.00 0.00 61.00 63.22 2c9d s PRO 111 Cb -0.11 -4.17 0.18 0.00 0.02 0.00 0.00 34.50 30.41 2c9d s PRO 111 CO 0.00 -1.21 0.53 0.42 -0.33 0.00 0.00 177.00 176.42 2c9d s ILE 112 N 5.26 4.32 0.32 2.83 -1.09 -1.26 -1.92 121.20 129.65 2c9d s ILE 112 Ca 0.87 -2.72 -0.29 0.00 -2.23 0.00 0.00 60.65 56.27 2c9d s ILE 112 Cb -0.38 -3.76 -0.12 0.00 -1.58 0.00 0.00 42.46 36.63 2c9d s ILE 112 CO 0.37 -0.91 1.55 0.00 -1.23 0.00 0.00 174.94 174.72 2c9d n ALA 113 N 3.74 2.43 -3.08 9.38 0.00 0.25 -4.90 120.51 128.32 2c9d n ALA 113 Ca 0.08 0.36 -0.44 0.00 0.00 0.00 0.00 53.44 53.44 2c9d n ALA 113 Cb 0.41 -2.44 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 2c9d n ALA 113 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2c9d s ASN 114 N 0.29 6.10 -0.32 0.00 3.04 -1.26 -2.06 114.94 120.73 2c9d s ASN 114 Ca 0.61 -1.53 0.07 0.00 0.04 0.00 0.00 52.86 52.05 2c9d s ASN 114 Cb -0.50 -2.17 0.45 0.00 -1.54 0.00 0.00 41.25 37.50 2c9d s ASN 114 CO 0.53 -0.71 1.17 0.61 -3.04 0.00 0.00 177.10 175.66 2c9d n GLY 115 N 5.18 6.17 3.43 1.21 0.00 -0.01 -4.88 105.19 116.30 2c9d n GLY 115 Ca -0.13 -2.64 -0.41 0.00 0.00 0.00 0.00 46.02 42.84 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 -4.77 4.89 0.36 1.61 1.01 -1.24 -2.90 120.40 119.34 2c9d s VAL 116 Ca 0.50 -0.63 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2c9d s VAL 116 Cb 0.41 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.03 2c9d s VAL 116 CO -0.01 -0.17 1.31 -0.76 0.00 0.00 0.00 175.10 175.47 2c9d s LEU 117 N 1.63 4.36 -0.30 3.92 1.43 0.70 -4.93 118.68 125.49 2c9d s LEU 117 Ca 0.04 2.69 -0.03 0.00 -1.03 0.00 0.00 54.13 55.80 2c9d s LEU 117 Cb -0.18 -3.73 0.10 0.00 0.03 0.00 0.00 46.19 42.40 2c9d s LEU 117 CO 0.08 -0.64 0.11 0.42 0.23 0.00 0.00 176.35 176.55 2c9d s THR 118 N -1.18 0.36 0.36 5.49 -4.23 -1.26 -1.05 115.64 114.13 2c9d s THR 118 Ca 0.51 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 2c9d s THR 118 Cb -0.39 -1.28 -0.07 0.00 1.34 0.00 0.00 72.50 72.09 2c9d s THR 118 CO 0.52 -0.69 -0.05 0.42 -0.54 0.00 0.00 174.62 174.28 2c9d s THR 119 N 1.88 2.03 -0.03 3.99 -4.23 -1.00 -5.03 115.64 113.25 2c9d s THR 119 Ca 0.09 -2.12 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2c9d s THR 119 Cb -0.17 -2.74 -0.26 0.00 1.34 0.00 0.00 72.50 70.67 2c9d s THR 119 CO -0.31 -0.14 0.72 0.78 -0.54 0.00 0.00 174.62 175.13 2c9d h ASN 120 N 1.98 0.29 -4.23 3.99 2.35 -1.95 -2.95 115.58 115.06 2c9d h ASN 120 Ca -0.42 -0.48 -0.37 0.00 -0.55 0.00 0.00 56.30 54.48 2c9d h ASN 120 Cb 1.24 -0.09 -0.14 0.00 0.05 0.00 0.00 38.32 39.38 2c9d h ASN 120 CO 0.73 1.41 -0.62 0.42 -1.65 0.00 0.00 177.43 177.73 2c9d s THR 121 N -2.60 0.71 0.22 2.81 -4.23 -1.26 -4.47 115.64 106.82 2c9d s THR 121 Ca -0.10 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.40 2c9d s THR 121 Cb 0.07 -2.61 -0.02 0.00 1.34 0.00 0.00 72.50 71.28 2c9d s THR 121 CO 0.83 -0.05 1.58 -0.08 -0.54 0.00 0.00 174.62 176.35 2c9d h GLU 122 N 2.36 0.50 -0.43 3.99 4.81 -1.97 -3.14 114.58 120.70 2c9d h GLU 122 Ca -0.39 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 58.60 2c9d h GLU 122 Cb 1.24 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 2c9d h GLU 122 CO 0.63 0.86 0.22 1.49 -0.73 0.00 0.00 179.01 181.47 2c9d h GLU 123 N 0.40 0.43 -0.72 1.92 4.81 -1.99 -2.07 114.58 117.35 2c9d h GLU 123 Ca 0.03 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2c9d h GLU 123 Cb 0.96 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.18 2c9d h GLU 123 CO 0.08 0.28 0.39 1.96 -0.73 0.00 0.00 179.01 181.00 2c9d h GLN 124 N 0.44 0.67 -0.30 1.92 4.20 -1.97 -1.49 115.11 118.57 2c9d h GLN 124 Ca 0.18 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 2c9d h GLN 124 Cb 0.08 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2c9d h GLN 124 CO -0.12 0.44 0.05 0.00 -0.67 0.00 0.00 178.83 178.53 2c9d h ALA 125 N 1.40 0.41 -0.64 3.87 0.00 -1.48 -2.99 119.26 119.82 2c9d h ALA 125 Ca 0.34 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2c9d h ALA 125 Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2c9d h ALA 125 CO -0.23 0.10 0.43 -0.07 0.00 0.00 0.00 179.25 179.48 2c9d h LEU 126 N 0.33 0.65 -0.02 0.00 3.38 -0.97 -2.35 115.31 116.32 2c9d h LEU 126 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2c9d h LEU 126 Cb 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2c9d h LEU 126 CO 0.01 0.44 0.00 -0.67 0.09 0.00 0.00 178.44 178.31 2c9d n ASP 127 N -4.46 0.05 -0.09 -0.43 2.03 -0.60 -3.24 116.55 109.81 2c9d n ASP 127 Ca 0.08 0.51 0.07 0.00 0.52 0.00 0.00 54.79 55.96 2c9d n ASP 127 Cb 0.15 -0.52 0.10 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 -1.55 1.92 -0.01 -0.67 1.74 -0.89 -1.68 116.66 115.52 2c9d n ARG 128 Ca 0.05 -2.24 0.08 0.00 -0.77 0.00 0.00 57.85 54.97 2c9d n ARG 128 Cb 0.27 -1.35 -0.13 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.07 2.58 -0.18 7.54 0.00 -1.18 -2.30 120.51 125.90 2c9d n ALA 129 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2c9d n ALA 129 Cb 0.52 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 1.56 1.67 3.89 0.00 0.00 -0.94 -3.95 105.19 107.41 2c9d n GLY 130 Ca -0.04 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.02 2.87 0.23 0.99 1.43 -1.26 -4.91 118.68 118.01 2c9d s LEU 131 Ca 0.00 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2c9d s LEU 131 Cb 0.00 -3.81 0.54 0.00 0.03 0.00 0.00 46.19 42.95 2c9d s LEU 131 CO 0.00 -1.40 1.16 -2.65 0.23 0.00 0.00 176.35 173.69 2c9d n PRO 132 N -3.02 -0.06 -0.73 1.29 -0.02 -1.26 -0.81 135.00 130.39 2c9d n PRO 132 Ca 0.07 1.11 -0.02 0.00 -2.02 0.00 0.00 63.50 62.65 2c9d n PRO 132 Cb 0.58 -1.76 0.20 0.00 -0.02 0.00 0.00 33.50 32.50 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 -5.04 2.47 -2.64 3.45 -2.24 -1.26 -5.03 114.28 103.99 2c9d n THR 133 Ca 0.17 -2.73 -0.32 0.00 -2.27 0.00 0.00 64.05 58.90 2c9d n THR 133 Cb 0.55 -0.30 -0.05 0.00 -2.10 0.00 0.00 70.33 68.43 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 -2.58 6.72 0.31 3.42 0.01 0.01 -4.99 113.70 116.60 2c9d s SER 134 Ca 0.43 1.53 0.16 0.00 1.31 0.00 0.00 55.95 59.39 2c9d s SER 134 Cb 0.39 -2.49 0.17 0.00 0.21 0.00 0.00 66.02 64.31 2c9d s SER 134 CO -0.00 -0.46 1.50 0.00 0.41 0.00 0.00 173.24 174.68 2c9d h ALA 135 N 1.37 0.74 -2.88 1.44 0.00 -1.66 -3.47 119.26 114.80 2c9d h ALA 135 Ca -0.48 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 2c9d h ALA 135 Cb 1.18 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2c9d h ALA 135 CO 0.62 0.54 0.04 -2.00 0.00 0.00 0.00 179.25 178.45 2c9d s GLU 136 N -3.05 1.38 -0.33 0.00 2.12 -1.14 -5.07 118.70 112.62 2c9d s GLU 136 Ca 0.04 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.50 2c9d s GLU 136 Cb 0.08 0.52 0.12 0.00 0.26 0.00 0.00 34.13 35.11 2c9d s GLU 136 CO 0.73 -0.59 0.16 0.34 -0.54 0.00 0.00 175.26 175.36 2c9d s ASP 137 N -2.87 3.52 0.43 -1.70 -1.08 -1.26 -2.21 116.67 111.51 2c9d s ASP 137 Ca 0.09 -1.79 0.16 0.00 -0.52 0.00 0.00 52.55 50.49 2c9d s ASP 137 Cb -0.01 -0.58 0.98 0.00 -1.46 0.00 0.00 42.92 41.85 2c9d s ASP 137 CO -0.03 -0.38 1.95 0.11 0.52 0.00 0.00 175.17 177.35 2c9d h LYS 138 N 7.74 0.00 -0.61 4.34 1.57 -1.71 -2.60 116.57 125.30 2c9d h LYS 138 Ca -0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2c9d h LYS 138 Cb 0.99 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2c9d h LYS 138 CO 0.40 0.23 0.31 0.78 -0.57 0.00 0.00 179.45 180.60 2c9d h GLY 139 N 0.77 0.91 0.61 3.86 0.00 -1.84 -1.41 103.07 105.98 2c9d h GLY 139 Ca -0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 2c9d h GLY 139 CO 0.03 0.40 -0.41 0.00 0.00 0.00 0.00 176.54 176.55 2c9d h ALA 140 N 1.49 0.06 -0.47 3.60 0.00 -1.68 -3.08 119.26 119.17 2c9d h ALA 140 Ca 0.21 -0.51 0.07 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 140 Cb 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2c9d h ALA 140 CO -0.03 0.21 0.14 1.96 0.00 0.00 0.00 179.25 181.54 2c9d h GLN 141 N -0.31 0.30 -0.62 0.00 4.20 -1.41 -2.05 115.11 115.21 2c9d h GLN 141 Ca -0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2c9d h GLN 141 Cb 1.15 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 2c9d h GLN 141 CO 0.08 0.20 0.36 0.00 -0.67 0.00 0.00 178.83 178.80 2c9d h ALA 142 N 1.33 0.79 -0.50 3.87 0.00 -1.35 -1.41 119.26 121.99 2c9d h ALA 142 Ca 0.23 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2c9d h ALA 142 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2c9d h ALA 142 CO -0.25 0.28 -0.13 1.15 0.00 0.00 0.00 179.25 180.31 2c9d h THR 143 N 0.84 1.27 -0.33 0.00 2.02 -1.41 -1.40 112.91 113.90 2c9d h THR 143 Ca 0.22 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2c9d h THR 143 Cb 0.00 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2c9d h THR 143 CO -0.04 0.44 0.12 0.58 0.37 0.00 0.00 175.52 176.99 2c9d h VAL 144 N 0.82 1.14 -0.27 3.16 2.07 -1.18 -1.80 116.25 120.18 2c9d h VAL 144 Ca 0.12 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.11 2c9d h VAL 144 Cb 0.69 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2c9d h VAL 144 CO 0.05 0.17 -0.17 0.00 0.02 0.00 0.00 177.57 177.64 2c9d h ALA 145 N 1.66 0.39 0.18 1.67 0.00 -0.81 -2.83 119.26 119.52 2c9d h ALA 145 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2c9d h ALA 145 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2c9d h ALA 145 CO -0.01 0.30 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 2c9d h ALA 146 N 0.72 -0.25 -0.81 0.00 0.00 -0.98 -2.58 119.26 115.37 2c9d h ALA 146 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c9d h ALA 146 Cb 0.70 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 2c9d h ALA 146 CO 0.05 -0.52 0.48 -0.07 0.00 0.00 0.00 179.25 179.18 2c9d h LEU 147 N -0.47 0.97 -0.37 0.00 3.38 -1.43 -1.62 115.31 115.78 2c9d h LEU 147 Ca -0.03 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2c9d h LEU 147 Cb 0.36 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2c9d h LEU 147 CO 0.04 0.76 -0.52 0.00 0.09 0.00 0.00 178.44 178.81 2c9d h ALA 148 N 1.41 0.54 -0.24 1.53 0.00 -1.54 -2.48 119.26 118.48 2c9d h ALA 148 Ca 0.29 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2c9d h ALA 148 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2c9d h ALA 148 CO -0.05 0.68 -0.31 1.15 0.00 0.00 0.00 179.25 180.72 2c9d h THR 149 N 0.64 1.28 -0.54 0.00 2.02 -1.17 -2.02 112.91 113.12 2c9d h THR 149 Ca 0.02 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 2c9d h THR 149 Cb 1.11 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 2c9d h THR 149 CO 0.11 0.44 0.20 0.00 0.37 0.00 0.00 175.52 176.64 2c9d h ALA 150 N 1.25 0.70 -0.67 6.16 0.00 -1.27 -1.94 119.26 123.50 2c9d h ALA 150 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2c9d h ALA 150 Cb 0.75 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2c9d h ALA 150 CO 0.06 0.33 0.21 -0.07 0.00 0.00 0.00 179.25 179.78 2c9d h LEU 151 N 0.74 0.98 -0.05 0.00 3.38 -1.25 -1.80 115.31 117.31 2c9d h LEU 151 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2c9d h LEU 151 Cb 0.23 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2c9d h LEU 151 CO -0.01 0.93 0.02 0.74 0.09 0.00 0.00 178.44 180.21 2c9d h THR 152 N 0.98 1.12 -0.57 0.22 2.02 -1.29 -2.25 112.91 113.13 2c9d h THR 152 Ca 0.22 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.05 2c9d h THR 152 Cb 0.30 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 2c9d h THR 152 CO -0.01 0.10 0.38 -0.07 0.37 0.00 0.00 175.52 176.29 2c9d h LEU 153 N -0.06 0.66 -1.02 2.58 3.38 -1.29 -0.63 115.31 118.92 2c9d h LEU 153 Ca 0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2c9d h LEU 153 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2c9d h LEU 153 CO -0.00 0.48 0.13 -0.09 0.09 0.00 0.00 178.44 179.04 2c9d h ARG 154 N 0.78 0.84 -0.05 1.13 2.43 -1.11 -1.61 114.38 116.79 2c9d h ARG 154 Ca 0.21 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 59.03 2c9d h ARG 154 Cb -0.09 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2c9d h ARG 154 CO -0.05 0.75 -0.67 1.49 -1.51 0.00 0.00 179.97 179.99 2c9d h GLU 155 N 0.81 0.54 -0.48 0.20 4.22 -0.68 -3.29 114.58 115.89 2c9d h GLU 155 Ca 0.18 -0.51 -0.04 0.00 0.08 0.00 0.00 59.36 59.06 2c9d h GLU 155 Cb 0.30 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2c9d h GLU 155 CO -0.00 1.14 0.14 -0.07 -2.18 0.00 0.00 179.01 178.05 2c9d h LEU 156 N 0.12 0.70-10.53 1.64 3.38 -1.10 -3.46 115.31 106.06 2c9d h LEU 156 Ca -0.07 -0.21 -0.42 0.00 0.09 0.00 0.00 57.88 57.27 2c9d h LEU 156 Cb 1.34 -0.18 0.18 0.00 0.09 0.00 0.00 40.66 42.09 2c9d h LEU 156 CO 0.13 0.73 0.22 -0.13 0.09 0.00 0.00 178.44 179.48 2c9d s ARG 157 N -5.39 -0.73 -0.18 1.13 0.52 -0.61 -4.90 118.95 108.78 2c9d s ARG 157 Ca -0.13 -0.19 -0.29 0.00 -0.52 0.00 0.00 55.73 54.60 2c9d s ARG 157 Cb 0.11 -1.67 -0.04 0.00 0.52 0.00 0.00 34.95 33.87 2c9d s ARG 157 CO 0.78 -3.36 1.85 0.00 0.02 0.00 0.00 175.30 174.59 2c9d s ALA 158 N -3.27 3.15 0.19 2.13 0.00 -1.26 -4.97 121.76 117.73 2c9d s ALA 158 Ca 0.72 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.28 2c9d s ALA 158 Cb -0.08 -3.92 -0.01 0.00 0.00 0.00 0.00 23.12 19.11 2c9d s ALA 158 CO 0.55 -2.16 0.30 -3.38 0.00 0.00 0.00 175.76 171.07 2c9d s HIS 159 N 6.01 0.56 -2.90 0.00 -3.43 -1.26 -5.12 115.29 109.15 2c9d s HIS 159 Ca 0.83 -0.90 0.25 0.00 -0.80 0.00 0.00 55.06 54.44 2c9d s HIS 159 Cb -0.30 -0.11 0.36 0.00 -1.43 0.00 0.00 32.58 31.10 2c9d s HIS 159 CO 0.33 -0.77 1.35 -1.13 -2.00 0.00 0.00 174.74 172.52