#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n8o s PRO 6 N 0.00 4.37 0.24 2.61 0.04 -1.26 -5.00 135.00 136.00 1n8o s PRO 6 Ca 0.00 1.41 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 1n8o s PRO 6 Cb 0.00 -2.65 0.26 0.00 0.04 0.00 0.00 34.50 32.15 1n8o s PRO 6 CO 0.00 0.06 1.89 1.25 0.04 0.00 0.00 177.00 180.25 1n8o h LEU 7 N 2.79 1.00 -0.61 -3.56 5.85 -2.01 -2.50 115.31 116.26 1n8o h LEU 7 Ca -0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1n8o h LEU 7 Cb 1.20 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1n8o h LEU 7 CO 0.63 0.70 0.00 -0.62 -0.34 0.00 0.00 178.44 178.81 1n8o n GLU 8 N -4.49 0.19 0.07 1.25 4.71 -1.25 -1.51 120.64 119.62 1n8o n GLU 8 Ca 0.11 0.40 -0.12 0.00 -0.01 0.00 0.00 57.16 57.54 1n8o n GLU 8 Cb 0.06 -1.85 -0.03 0.00 -1.01 0.00 0.00 31.44 28.61 1n8o n GLU 8 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1n8o h LYS 9 N 0.00 0.34 -0.05 3.49 1.79 -1.86 -3.30 116.57 116.98 1n8o h LYS 9 Ca 0.00 -0.36 -0.06 0.00 -2.18 0.00 0.00 60.65 58.05 1n8o h LYS 9 Cb 0.39 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1n8o h LYS 9 CO 0.00 1.05 -0.22 0.82 -1.08 0.00 0.00 179.45 180.02 1n8o h ILE 10 N 0.19 1.46 -1.93 1.86 2.04 -1.27 -3.48 117.51 116.37 1n8o h ILE 10 Ca -0.07 -1.67 0.18 0.00 1.00 0.00 0.00 64.86 64.31 1n8o h ILE 10 Cb 1.54 2.40 -0.16 0.00 -0.74 0.00 0.00 36.82 39.87 1n8o h ILE 10 CO 0.15 0.47 0.63 0.00 0.00 0.00 0.00 178.15 179.40 1n8o s ALA 11 N -3.63 -1.93 -1.01 1.87 0.00 -0.63 -5.05 121.76 111.38 1n8o s ALA 11 Ca -0.15 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.87 1n8o s ALA 11 Cb 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 23.12 23.33 1n8o s ALA 11 CO 0.75 -0.71 2.23 -0.35 0.00 0.00 0.00 175.76 177.67 1n8o n PRO 12 N -0.23 2.31 -1.82 0.00 -0.04 -1.26 -3.78 135.00 130.18 1n8o n PRO 12 Ca -0.05 -1.56 -0.42 0.00 -0.04 0.00 0.00 63.50 61.42 1n8o n PRO 12 Cb 0.60 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 1n8o n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1n8o s TYR 13 N 3.25 2.72 0.67 0.54 2.02 -1.26 -4.91 117.35 120.37 1n8o s TYR 13 Ca 0.44 0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 57.31 1n8o s TYR 13 Cb 0.11 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 1n8o s TYR 13 CO -0.04 -4.10 1.27 -2.14 -1.57 0.00 0.00 175.55 168.97 1n8o s PRO 14 N 1.71 2.46 0.45 -1.71 0.02 -1.26 -4.89 135.00 131.78 1n8o s PRO 14 Ca 0.75 1.99 -0.20 0.00 0.02 0.00 0.00 61.00 63.55 1n8o s PRO 14 Cb -0.46 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.12 1n8o s PRO 14 CO 0.33 -1.65 0.96 -0.65 -0.33 0.00 0.00 177.00 175.67 1n8o s GLN 15 N -3.50 4.14 0.04 5.54 -1.52 -1.26 -4.96 119.66 118.15 1n8o s GLN 15 Ca 0.80 1.12 -0.30 0.00 -1.95 0.00 0.00 55.36 55.04 1n8o s GLN 15 Cb -0.35 -2.16 -0.09 0.00 -0.22 0.00 0.00 33.01 30.18 1n8o s GLN 15 CO 0.41 -0.11 1.97 0.00 -0.25 0.00 0.00 175.29 177.31 1n8o n ALA 16 N -0.80 1.64 -1.77 6.09 0.00 -1.26 -4.96 120.51 119.44 1n8o n ALA 16 Ca 0.07 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1n8o n ALA 16 Cb 0.54 -2.68 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 1n8o n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1n8o s GLU 17 N 4.32 4.12 0.11 0.00 2.12 -1.26 -4.86 118.70 123.25 1n8o s GLU 17 Ca 0.88 2.57 -0.35 0.00 0.36 0.00 0.00 54.97 58.43 1n8o s GLU 17 Cb -0.44 -2.99 -0.15 0.00 0.26 0.00 0.00 34.13 30.81 1n8o s GLU 17 CO 0.42 -0.56 1.45 0.36 -0.54 0.00 0.00 175.26 176.39 1n8o n LYS 18 N 1.10 1.59 0.00 4.30 -0.00 -1.26 -1.19 118.16 122.70 1n8o n LYS 18 Ca 0.04 0.57 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 1n8o n LYS 18 Cb 0.39 -2.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.14 1n8o n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1n8o n GLY 19 N 2.94 0.92 3.82 2.58 0.00 -1.26 -5.04 105.19 109.15 1n8o n GLY 19 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1n8o n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1n8o s MET 20 N -0.92 2.33 0.05 1.61 1.00 -0.33 -1.77 119.30 121.25 1n8o s MET 20 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 55.69 53.87 1n8o s MET 20 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 34.83 32.68 1n8o s MET 20 CO 0.00 -0.26 -0.02 -1.59 0.00 0.00 0.00 175.02 173.16 1n8o s LYS 21 N -4.06 0.58 -0.18 2.03 -2.85 0.49 -4.70 119.74 111.06 1n8o s LYS 21 Ca 0.41 -1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 54.24 1n8o s LYS 21 Cb 0.00 0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1n8o s LYS 21 CO 0.23 -0.11 -0.08 0.50 0.10 0.00 0.00 175.35 176.00 1n8o s ARG 22 N -3.54 3.43 0.01 1.78 3.52 -1.26 -1.02 118.95 121.86 1n8o s ARG 22 Ca 0.03 -0.63 0.07 0.00 -0.13 0.00 0.00 55.73 55.07 1n8o s ARG 22 Cb 0.05 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1n8o s ARG 22 CO -0.09 0.03 -0.20 -0.65 -0.81 0.00 0.00 175.30 173.58 1n8o s GLN 23 N 0.87 1.51 -0.06 5.12 -0.21 0.09 -4.97 119.66 122.00 1n8o s GLN 23 Ca -0.02 -0.83 0.03 0.00 0.02 0.00 0.00 55.36 54.55 1n8o s GLN 23 Cb -0.15 -1.54 0.01 0.00 1.00 0.00 0.00 33.01 32.33 1n8o s GLN 23 CO 0.01 0.41 -0.13 0.08 -2.12 0.00 0.00 175.29 173.53 1n8o s VAL 24 N -0.64 1.20 -0.17 1.09 1.01 -1.26 -0.65 120.40 120.99 1n8o s VAL 24 Ca 0.08 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1n8o s VAL 24 Cb -0.08 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1n8o s VAL 24 CO 0.01 0.37 -0.05 -0.63 0.00 0.00 0.00 175.10 174.79 1n8o s ILE 25 N 0.51 3.69 -0.20 2.22 1.01 -0.18 -4.97 121.20 123.27 1n8o s ILE 25 Ca -0.12 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1n8o s ILE 25 Cb -0.15 -2.62 0.04 0.00 0.01 0.00 0.00 42.46 39.74 1n8o s ILE 25 CO 0.03 0.48 -0.12 -1.58 0.00 0.00 0.00 174.94 173.76 1n8o s GLN 26 N 0.61 2.19 0.33 2.79 2.00 -1.26 -1.35 119.66 124.96 1n8o s GLN 26 Ca -0.03 -0.89 -0.18 0.00 -2.00 0.00 0.00 55.36 52.25 1n8o s GLN 26 Cb -0.15 -2.48 -0.09 0.00 0.80 0.00 0.00 33.01 31.09 1n8o s GLN 26 CO 0.03 -0.41 0.80 -0.51 -0.50 0.00 0.00 175.29 174.70 1n8o s LEU 27 N 1.35 4.12 0.29 3.68 1.43 -1.26 -5.04 118.68 123.24 1n8o s LEU 27 Ca -0.01 1.45 -0.29 0.00 -1.03 0.00 0.00 54.13 54.25 1n8o s LEU 27 Cb -0.16 -4.08 -0.10 0.00 0.03 0.00 0.00 46.19 41.88 1n8o s LEU 27 CO -0.09 -0.18 1.32 -0.89 0.23 0.00 0.00 176.35 176.74 1n8o s THR 28 N -1.90 2.85 0.17 5.49 2.01 -1.26 -4.69 115.64 118.31 1n8o s THR 28 Ca 0.53 0.79 -0.32 0.00 0.31 0.00 0.00 61.69 63.01 1n8o s THR 28 Cb -0.12 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1n8o s THR 28 CO 0.18 0.16 1.61 -2.84 -0.69 0.00 0.00 174.62 173.04 1n8o s PRO 29 N -1.15 4.19 0.16 4.92 0.02 -1.26 -4.70 135.00 137.18 1n8o s PRO 29 Ca 0.52 2.42 0.09 0.00 0.02 0.00 0.00 61.00 64.05 1n8o s PRO 29 Cb -0.39 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 1n8o s PRO 29 CO 0.47 -0.64 -0.19 -0.65 -0.33 0.00 0.00 177.00 175.66 1n8o s GLN 30 N 1.18 1.29 0.25 5.54 -1.52 -1.26 -5.05 119.66 120.11 1n8o s GLN 30 Ca 0.71 -1.40 -0.02 0.00 -1.95 0.00 0.00 55.36 52.70 1n8o s GLN 30 Cb -0.45 -1.41 0.48 0.00 -0.22 0.00 0.00 33.01 31.41 1n8o s GLN 30 CO 0.31 0.29 1.77 1.05 -0.25 0.00 0.00 175.29 178.47 1n8o h GLU 31 N 3.32 0.63 -2.30 2.91 4.11 -2.06 -3.31 114.58 117.88 1n8o h GLU 31 Ca -0.43 -0.04 -0.56 0.00 0.07 0.00 0.00 59.36 58.41 1n8o h GLU 31 Cb 1.20 -0.14 -0.37 0.00 0.50 0.00 0.00 28.75 29.95 1n8o h GLU 31 CO 0.49 0.41 -0.92 0.34 0.07 0.00 0.00 179.01 179.41 1n8o s ASP 32 N -5.46 1.46 0.00 3.06 2.15 -1.26 -4.98 116.67 111.64 1n8o s ASP 32 Ca -0.12 -2.81 0.02 0.00 0.43 0.00 0.00 52.55 50.07 1n8o s ASP 32 Cb 0.21 -0.26 0.09 0.00 -0.30 0.00 0.00 42.92 42.66 1n8o s ASP 32 CO 0.78 -0.19 0.74 -0.62 -0.17 0.00 0.00 175.17 175.71 1n8o n GLU 33 N 3.08 0.04 0.15 4.34 1.02 -1.25 -1.67 120.64 126.36 1n8o n GLU 33 Ca 0.26 0.15 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 1n8o n GLU 33 Cb 0.47 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.55 1n8o n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1n8o h SER 34 N 0.00 0.00 -0.61 1.62 4.64 -1.94 -3.07 113.55 114.20 1n8o h SER 34 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1n8o h SER 34 Cb 0.01 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1n8o h SER 34 CO 0.00 0.50 0.33 0.35 -0.87 0.00 0.00 176.83 177.14 1n8o n THR 35 N -3.40 2.36 -4.13 2.95 -2.24 -0.67 -4.91 114.28 104.25 1n8o n THR 35 Ca 0.01 -1.23 -0.15 0.00 -2.27 0.00 0.00 64.05 60.41 1n8o n THR 35 Cb 0.65 -0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 68.20 1n8o n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1n8o s LEU 36 N -2.19 2.15 0.06 3.22 1.43 -1.16 -1.40 118.68 120.79 1n8o s LEU 36 Ca 0.39 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1n8o s LEU 36 Cb 0.32 -0.25 -0.02 0.00 0.03 0.00 0.00 46.19 46.28 1n8o s LEU 36 CO 0.09 -0.07 0.09 -0.54 0.23 0.00 0.00 176.35 176.14 1n8o s LYS 37 N -0.93 0.71 -0.02 1.70 -0.14 -0.02 -3.23 119.74 117.81 1n8o s LYS 37 Ca -0.04 -1.02 0.07 0.00 -1.36 0.00 0.00 55.97 53.61 1n8o s LYS 37 Cb -0.06 0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 1n8o s LYS 37 CO 0.00 -0.18 -0.22 0.14 -0.76 0.00 0.00 175.35 174.33 1n8o s VAL 38 N -3.66 1.71 -0.14 3.17 -7.23 0.07 -1.15 120.40 113.16 1n8o s VAL 38 Ca 0.04 -0.92 -0.02 0.00 -1.81 0.00 0.00 61.98 59.26 1n8o s VAL 38 Cb 0.05 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1n8o s VAL 38 CO -0.09 0.48 -0.06 -0.70 -0.31 0.00 0.00 175.10 174.41 1n8o s GLU 39 N -0.50 3.51 -0.10 4.82 2.12 -0.09 -0.07 118.70 128.39 1n8o s GLU 39 Ca 0.08 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.62 1n8o s GLU 39 Cb -0.08 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1n8o s GLU 39 CO -0.01 0.28 0.70 -0.51 -0.54 0.00 0.00 175.26 175.17 1n8o s LEU 40 N 0.24 4.27 -0.34 2.70 1.43 0.21 -1.44 118.68 125.75 1n8o s LEU 40 Ca -0.04 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 1n8o s LEU 40 Cb -0.14 -3.05 0.10 0.00 0.03 0.00 0.00 46.19 43.12 1n8o s LEU 40 CO 0.04 -0.17 0.06 -0.76 0.23 0.00 0.00 176.35 175.75 1n8o s LEU 41 N 1.11 4.76 -0.15 1.79 1.43 -0.12 -4.90 118.68 122.61 1n8o s LEU 41 Ca 0.36 -2.10 -0.05 0.00 -1.03 0.00 0.00 54.13 51.31 1n8o s LEU 41 Cb -0.17 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1n8o s LEU 41 CO 0.16 -0.39 0.03 -0.63 0.23 0.00 0.00 176.35 175.75 1n8o s ILE 42 N 0.95 4.50 0.00 -0.59 1.01 -1.26 -0.57 121.20 125.23 1n8o s ILE 42 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1n8o s ILE 42 Cb -0.20 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1n8o s ILE 42 CO -0.07 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1n8o n GLY 43 N 3.05 1.20 2.91 6.18 0.00 -0.15 -1.94 105.19 116.45 1n8o n GLY 43 Ca -0.18 -0.66 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1n8o n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n8o s GLN 44 N 0.59 0.12 -0.42 1.61 -0.21 -0.23 -1.05 119.66 120.07 1n8o s GLN 44 Ca 0.00 -0.21 -0.21 0.00 0.02 0.00 0.00 55.36 54.96 1n8o s GLN 44 Cb 0.00 0.01 0.02 0.00 1.00 0.00 0.00 33.01 34.04 1n8o s GLN 44 CO 0.00 -0.01 0.69 0.99 -2.12 0.00 0.00 175.29 174.84 1n8o s THR 45 N -0.48 4.78 0.24 -0.19 2.01 -1.26 0.23 115.64 120.97 1n8o s THR 45 Ca -0.05 0.32 0.11 0.00 0.31 0.00 0.00 61.69 62.38 1n8o s THR 45 Cb -0.03 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 1n8o s THR 45 CO -0.00 -0.58 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.45 1n8o s LEU 46 N 2.95 2.77 -0.30 4.42 1.43 0.11 -4.89 118.68 125.17 1n8o s LEU 46 Ca 0.25 -0.81 -0.21 0.00 -1.03 0.00 0.00 54.13 52.33 1n8o s LEU 46 Cb -0.14 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 1n8o s LEU 46 CO 0.19 0.06 0.67 -1.61 0.23 0.00 0.00 176.35 175.89 1n8o s GLU 47 N -3.22 3.92 0.07 1.70 0.41 -1.25 -0.23 118.70 120.09 1n8o s GLU 47 Ca 0.27 0.37 0.05 0.00 -0.41 0.00 0.00 54.97 55.25 1n8o s GLU 47 Cb -0.07 -3.73 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 1n8o s GLU 47 CO 0.15 -0.59 -0.14 0.54 -0.49 0.00 0.00 175.26 174.72 1n8o s VAL 48 N 2.69 1.13 0.00 2.63 0.11 0.13 -4.75 120.40 122.34 1n8o s VAL 48 Ca 0.27 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.06 1n8o s VAL 48 Cb -0.15 -1.07 0.00 0.00 -1.53 0.00 0.00 36.38 33.63 1n8o s VAL 48 CO 0.12 -0.18 0.00 -0.90 -3.33 0.00 0.00 175.10 170.81 1n8o n ASP 49 N 1.39 0.00 -0.02 3.54 3.85 -1.26 -0.44 116.55 123.60 1n8o n ASP 49 Ca -0.21 -0.13 0.15 0.00 -0.71 0.00 0.00 54.79 53.90 1n8o n ASP 49 Cb 0.54 0.00 0.84 0.00 -1.35 0.00 0.00 41.12 41.15 1n8o n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1n8o s ASN 51 N -2.25 4.84 0.22 0.00 0.01 -1.26 -5.03 114.94 111.47 1n8o s ASN 51 Ca 0.39 1.23 -0.30 0.00 -0.71 0.00 0.00 52.86 53.47 1n8o s ASN 51 Cb 0.21 -1.98 -0.08 0.00 0.41 0.00 0.00 41.25 39.81 1n8o s ASN 51 CO 0.41 -1.74 1.02 -0.76 -1.51 0.00 0.00 177.10 174.52 1n8o s LEU 52 N -5.62 4.57 0.04 0.60 1.43 -1.26 -4.86 118.68 113.59 1n8o s LEU 52 Ca 0.60 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.78 1n8o s LEU 52 Cb -0.13 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 1n8o s LEU 52 CO 0.53 -0.03 -0.10 -1.00 0.23 0.00 0.00 176.35 175.99 1n8o s HIS 53 N -0.85 0.85 -0.02 0.29 3.76 -1.26 -1.92 115.29 116.15 1n8o s HIS 53 Ca 0.44 -0.43 -0.13 0.00 -0.15 0.00 0.00 55.06 54.80 1n8o s HIS 53 Cb -0.28 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 32.93 1n8o s HIS 53 CO 0.35 -0.03 0.28 1.03 -0.85 0.00 0.00 174.74 175.52 1n8o s ARG 54 N -1.40 0.62 0.60 1.40 0.52 -0.94 -4.62 118.95 115.13 1n8o s ARG 54 Ca -0.05 -0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 54.87 1n8o s ARG 54 Cb -0.09 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.64 1n8o s ARG 54 CO 0.01 -0.16 0.95 -0.51 0.02 0.00 0.00 175.30 175.61 1n8o s LEU 55 N -1.27 3.25 -0.25 2.53 1.02 -0.62 -0.98 118.68 122.37 1n8o s LEU 55 Ca -0.13 1.07 -0.06 0.00 0.02 0.00 0.00 54.13 55.03 1n8o s LEU 55 Cb -0.06 -3.98 -0.01 0.00 0.02 0.00 0.00 46.19 42.16 1n8o s LEU 55 CO 0.04 -0.95 0.03 -0.83 0.02 0.00 0.00 176.35 174.65 1n8o s GLY 56 N -4.23 1.71 0.01 -3.19 0.00 -1.25 -4.15 107.32 96.21 1n8o s GLY 56 Ca 0.54 -1.22 -0.28 0.00 0.00 0.00 0.00 44.72 43.75 1n8o s GLY 56 CO 0.49 0.52 0.65 -0.32 0.00 0.00 0.00 173.10 174.44 1n8o s GLY 57 N 1.53 -0.58 -0.07 0.20 0.00 -1.26 -0.88 107.32 106.26 1n8o s GLY 57 Ca 0.05 1.07 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 1n8o s GLY 57 CO 0.01 0.72 -0.03 0.54 0.00 0.00 0.00 173.10 174.34 1n8o s LYS 58 N -1.87 2.87 -0.22 2.90 1.02 0.33 -4.85 119.74 119.92 1n8o s LYS 58 Ca -0.08 -0.48 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 1n8o s LYS 58 Cb -0.00 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1n8o s LYS 58 CO 0.04 0.68 0.42 -1.17 -0.92 0.00 0.00 175.35 174.40 1n8o s LEU 59 N -0.91 4.11 -0.11 3.17 2.96 -1.26 -0.93 118.68 125.71 1n8o s LEU 59 Ca 0.13 0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.48 1n8o s LEU 59 Cb -0.11 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 1n8o s LEU 59 CO 0.03 -0.14 0.06 -1.61 -1.32 0.00 0.00 176.35 173.37 1n8o s GLU 60 N 1.64 3.32 -0.13 1.98 2.02 0.03 -4.94 118.70 122.62 1n8o s GLU 60 Ca 0.19 -0.30 -0.07 0.00 0.02 0.00 0.00 54.97 54.80 1n8o s GLU 60 Cb -0.15 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1n8o s GLU 60 CO 0.09 0.65 0.12 1.21 0.02 0.00 0.00 175.26 177.35 1n8o s ASN 61 N -0.70 6.21 0.14 -0.19 3.04 -1.26 -0.80 114.94 121.39 1n8o s ASN 61 Ca 0.12 0.38 0.03 0.00 0.04 0.00 0.00 52.86 53.43 1n8o s ASN 61 Cb -0.12 -2.01 -0.04 0.00 -1.54 0.00 0.00 41.25 37.53 1n8o s ASN 61 CO 0.02 0.35 -0.07 -0.54 -3.04 0.00 0.00 177.10 173.83 1n8o s LYS 62 N -0.69 1.02 -0.03 0.43 -0.14 0.19 -4.99 119.74 115.54 1n8o s LYS 62 Ca 0.13 -1.45 0.02 0.00 -1.36 0.00 0.00 55.97 53.31 1n8o s LYS 62 Cb -0.12 -0.44 0.01 0.00 -1.68 0.00 0.00 37.83 35.60 1n8o s LYS 62 CO 0.03 0.00 -0.07 0.99 -0.76 0.00 0.00 175.35 175.54 1n8o s THR 63 N -3.47 0.63 -0.48 2.17 2.01 -1.26 -0.56 115.64 114.68 1n8o s THR 63 Ca 0.17 -0.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.66 1n8o s THR 63 Cb 0.04 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.96 1n8o s THR 63 CO 0.00 0.22 1.49 -0.22 -0.69 0.00 0.00 174.62 175.43 1n8o s LEU 64 N 0.50 3.47 0.21 4.42 2.96 0.64 -4.95 118.68 125.92 1n8o s LEU 64 Ca -0.07 0.61 -0.31 0.00 -0.22 0.00 0.00 54.13 54.14 1n8o s LEU 64 Cb -0.11 -3.25 -0.11 0.00 0.50 0.00 0.00 46.19 43.22 1n8o s LEU 64 CO 0.00 -1.66 1.63 -1.83 -1.32 0.00 0.00 176.35 173.17 1n8o s GLU 65 N 5.44 4.17 0.00 1.98 -1.05 -1.26 -1.33 118.70 126.64 1n8o s GLU 65 Ca 0.60 2.49 0.00 0.00 -0.15 0.00 0.00 54.97 57.91 1n8o s GLU 65 Cb -0.13 -3.10 0.00 0.00 -0.44 0.00 0.00 34.13 30.46 1n8o s GLU 65 CO 0.29 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.25 1n8o n GLY 66 N 3.52 1.43 0.04 -3.83 0.00 -1.26 -4.77 105.19 100.31 1n8o n GLY 66 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1n8o n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1n8o n TRP 67 N -2.00 0.00 -0.51 1.61 7.02 -0.44 -5.01 117.44 118.11 1n8o n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1n8o n TRP 67 Cb 0.00 -0.32 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 1n8o n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1n8o n GLY 68 N 2.83 1.55 3.74 6.99 0.00 -0.73 -5.02 105.19 114.56 1n8o n GLY 68 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1n8o n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n8o s TYR 69 N -3.35 3.87 0.20 1.61 2.02 -1.26 -4.84 117.35 115.60 1n8o s TYR 69 Ca 0.00 1.76 -0.15 0.00 -0.37 0.00 0.00 57.07 58.31 1n8o s TYR 69 Cb 0.00 -2.95 -0.08 0.00 -0.40 0.00 0.00 41.96 38.53 1n8o s TYR 69 CO 0.00 0.34 0.62 -0.51 -1.57 0.00 0.00 175.55 174.42 1n8o s ASP 70 N -0.52 6.85 0.12 2.29 1.01 -1.26 -0.26 116.67 124.89 1n8o s ASP 70 Ca 0.42 1.17 -0.03 0.00 0.71 0.00 0.00 52.55 54.81 1n8o s ASP 70 Cb -0.24 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 1n8o s ASP 70 CO 0.29 0.02 0.10 -0.72 0.21 0.00 0.00 175.17 175.07 1n8o s TYR 71 N -1.59 0.64 -0.01 4.23 -0.85 0.28 -4.62 117.35 115.43 1n8o s TYR 71 Ca 0.42 -1.05 0.06 0.00 -0.52 0.00 0.00 57.07 55.98 1n8o s TYR 71 Cb -0.14 -0.34 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 1n8o s TYR 71 CO 0.20 -0.53 -0.19 0.71 -1.52 0.00 0.00 175.55 174.21 1n8o s TYR 72 N -3.99 1.69 -0.24 -3.49 1.51 -0.15 0.56 117.35 113.24 1n8o s TYR 72 Ca 0.18 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.93 1n8o s TYR 72 Cb 0.06 -1.08 0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1n8o s TYR 72 CO -0.02 -0.02 -0.12 0.08 -1.11 0.00 0.00 175.55 174.36 1n8o s VAL 73 N -0.48 2.25 -0.13 0.71 1.01 0.02 -0.15 120.40 123.64 1n8o s VAL 73 Ca 0.07 -1.39 -0.25 0.00 0.00 0.00 0.00 61.98 60.41 1n8o s VAL 73 Cb -0.07 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 1n8o s VAL 73 CO -0.00 0.13 0.82 0.12 0.00 0.00 0.00 175.10 176.17 1n8o s PHE 74 N 1.18 3.48 -0.09 5.22 5.36 0.27 -0.79 117.98 132.61 1n8o s PHE 74 Ca -0.04 1.31 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 1n8o s PHE 74 Cb -0.18 -2.98 0.02 0.00 -0.34 0.00 0.00 43.02 39.54 1n8o s PHE 74 CO -0.07 -0.14 -0.11 0.16 -1.46 0.00 0.00 175.22 173.60 1n8o s ASP 75 N 1.06 1.98 0.06 6.13 1.47 -0.11 -4.34 116.67 122.93 1n8o s ASP 75 Ca 0.40 -0.32 -0.30 0.00 1.18 0.00 0.00 52.55 53.51 1n8o s ASP 75 Cb -0.17 -0.87 -0.09 0.00 -0.34 0.00 0.00 42.92 41.45 1n8o s ASP 75 CO 0.15 -0.02 1.89 -0.75 0.68 0.00 0.00 175.17 177.13 1n8o s LYS 76 N 1.03 4.14 -0.04 2.11 2.36 -1.26 -0.51 119.74 127.58 1n8o s LYS 76 Ca -0.07 2.57 -0.05 0.00 -2.55 0.00 0.00 55.97 55.86 1n8o s LYS 76 Cb -0.15 -3.94 -0.03 0.00 -1.05 0.00 0.00 37.83 32.66 1n8o s LYS 76 CO -0.01 -0.90 -0.12 0.28 1.55 0.00 0.00 175.35 176.15 1n8o n VAL 77 N 5.25 0.97 -4.41 4.02 0.31 -0.06 -4.89 118.33 119.52 1n8o n VAL 77 Ca 0.19 0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 64.35 1n8o n VAL 77 Cb 0.40 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 1n8o n VAL 77 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1n8o s SER 78 N -5.91 4.31 0.72 4.52 0.01 -1.02 -4.97 113.70 111.35 1n8o s SER 78 Ca -0.11 -1.45 -0.12 0.00 1.31 0.00 0.00 55.95 55.58 1n8o s SER 78 Cb 0.03 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.62 1n8o s SER 78 CO 0.15 -0.88 1.09 -0.94 0.41 0.00 0.00 173.24 173.08 1n8o s SER 79 N -4.00 4.86 0.85 2.44 1.04 -1.26 -3.89 113.70 113.74 1n8o s SER 79 Ca 0.20 1.86 -0.12 0.00 0.48 0.00 0.00 55.95 58.37 1n8o s SER 79 Cb 0.01 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.71 1n8o s SER 79 CO 0.12 -1.80 1.17 -2.84 0.98 0.00 0.00 173.24 170.87 1n8o s PRO 80 N -4.62 1.40 0.26 4.02 0.02 -1.26 -3.90 135.00 130.92 1n8o s PRO 80 Ca 0.63 1.63 0.11 0.00 0.02 0.00 0.00 61.00 63.38 1n8o s PRO 80 Cb -0.18 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 1n8o s PRO 80 CO 0.50 -2.37 -0.18 0.14 -0.33 0.00 0.00 177.00 174.76 1n8o s VAL 81 N -2.41 2.25 -0.02 3.83 -7.23 -0.15 -4.96 120.40 111.71 1n8o s VAL 81 Ca 0.70 -2.35 -0.14 0.00 -1.81 0.00 0.00 61.98 58.38 1n8o s VAL 81 Cb -0.25 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.49 1n8o s VAL 81 CO 0.54 -0.46 0.30 -0.55 -0.31 0.00 0.00 175.10 174.62 1n8o s SER 82 N -3.45 -0.19 1.01 4.85 0.15 -1.26 -2.21 113.70 112.61 1n8o s SER 82 Ca 0.28 0.12 -0.15 0.00 0.70 0.00 0.00 55.95 56.90 1n8o s SER 82 Cb -0.04 0.34 0.20 0.00 -1.71 0.00 0.00 66.02 64.81 1n8o s SER 82 CO 0.12 -0.41 1.15 0.42 1.20 0.00 0.00 173.24 175.73 1n8o s THR 83 N -1.18 1.89 -0.34 6.45 -4.23 -0.81 -4.97 115.64 112.46 1n8o s THR 83 Ca -0.12 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 1n8o s THR 83 Cb -0.05 -2.68 0.45 0.00 1.34 0.00 0.00 72.50 71.55 1n8o s THR 83 CO 0.04 0.00 1.21 0.23 -0.54 0.00 0.00 174.62 175.55 1n8o n MET 84 N -4.10 3.54 -2.92 3.99 0.00 -1.26 -4.81 117.12 111.57 1n8o n MET 84 Ca 0.09 -4.21 -0.32 0.00 0.00 0.00 0.00 57.70 53.27 1n8o n MET 84 Cb 0.59 -2.27 -0.05 0.00 0.00 0.00 0.00 33.22 31.49 1n8o n MET 84 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1n8o s MET 85 N -3.60 3.95 0.13 0.03 -1.94 -1.26 -5.08 119.30 111.53 1n8o s MET 85 Ca 0.51 0.69 -0.13 0.00 -1.71 0.00 0.00 55.69 55.04 1n8o s MET 85 Cb 0.41 -2.35 -0.07 0.00 2.01 0.00 0.00 34.83 34.83 1n8o s MET 85 CO -0.02 0.02 0.51 0.00 -0.01 0.00 0.00 175.02 175.52 1n8o s ALA 86 N -2.22 3.61 -0.08 3.03 0.00 -1.26 -4.88 121.76 119.98 1n8o s ALA 86 Ca 0.55 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.36 1n8o s ALA 86 Cb -0.10 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.55 1n8o s ALA 86 CO 0.23 0.48 -0.24 0.00 0.00 0.00 0.00 175.76 176.24 1n8o h PRO 88 N 6.30 -0.72 -3.26 0.00 0.11 -2.02 -3.50 132.00 128.91 1n8o h PRO 88 Ca -0.27 0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.65 1n8o h PRO 88 Cb 1.20 0.16 -0.31 0.00 0.11 0.00 0.00 31.00 32.16 1n8o h PRO 88 CO 0.48 -0.48 -0.59 -0.51 -0.21 0.00 0.00 178.00 176.68 1n8o s ASP 89 N -4.36 -0.12 0.31 -2.05 1.01 -1.26 -5.24 116.67 104.96 1n8o s ASP 89 Ca -0.15 0.31 0.07 0.00 0.71 0.00 0.00 52.55 53.49 1n8o s ASP 89 Cb 0.05 0.20 -0.03 0.00 1.01 0.00 0.00 42.92 44.15 1n8o s ASP 89 CO 0.55 -0.14 0.25 -0.54 0.21 0.00 0.00 175.17 175.49 1n8o s LYS 92 N 1.11 2.75 0.22 8.23 1.02 -1.26 -5.13 119.74 126.68 1n8o s LYS 92 Ca -0.09 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 54.60 1n8o s LYS 92 Cb -0.11 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.70 1n8o s LYS 92 CO -0.06 0.19 0.28 -1.21 -0.92 0.00 0.00 175.35 173.63 1n8o s GLU 93 N -3.94 1.36 -0.24 1.68 0.41 0.41 -4.82 118.70 113.57 1n8o s GLU 93 Ca 0.38 -1.48 -0.22 0.00 -0.41 0.00 0.00 54.97 53.24 1n8o s GLU 93 Cb -0.06 0.36 -0.02 0.00 -1.78 0.00 0.00 34.13 32.63 1n8o s GLU 93 CO 0.26 -0.50 0.69 0.21 -0.49 0.00 0.00 175.26 175.43 1n8o s LYS 94 N -4.07 4.14 -0.16 1.61 2.36 -1.26 0.21 119.74 122.56 1n8o s LYS 94 Ca 0.32 0.68 -0.14 0.00 -2.55 0.00 0.00 55.97 54.29 1n8o s LYS 94 Cb 0.04 -3.64 0.05 0.00 -1.05 0.00 0.00 37.83 33.22 1n8o s LYS 94 CO 0.11 -0.43 0.43 0.15 1.55 0.00 0.00 175.35 177.16 1n8o s LYS 95 N 2.55 0.48 -0.59 4.03 3.01 0.67 -4.97 119.74 124.92 1n8o s LYS 95 Ca 0.29 0.63 -0.28 0.00 -1.01 0.00 0.00 55.97 55.61 1n8o s LYS 95 Cb -0.15 0.19 0.02 0.00 -1.01 0.00 0.00 37.83 36.88 1n8o s LYS 95 CO 0.08 -0.08 1.35 0.12 0.51 0.00 0.00 175.35 177.33 1n8o s PHE 96 N 0.46 2.35 -0.07 3.18 5.36 -1.26 0.09 117.98 128.09 1n8o s PHE 96 Ca -0.02 0.39 -0.20 0.00 -0.96 0.00 0.00 56.93 56.13 1n8o s PHE 96 Cb -0.04 -4.45 -0.04 0.00 -0.34 0.00 0.00 43.02 38.14 1n8o s PHE 96 CO -0.02 -1.90 0.57 0.08 -1.46 0.00 0.00 175.22 172.50 1n8o s VAL 97 N 5.79 5.07 0.13 3.12 1.01 0.14 -4.90 120.40 130.76 1n8o s VAL 97 Ca 0.48 1.18 0.07 0.00 0.00 0.00 0.00 61.98 63.70 1n8o s VAL 97 Cb -0.09 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1n8o s VAL 97 CO 0.23 0.34 -0.05 -0.89 0.00 0.00 0.00 175.10 174.73 1n8o s THR 98 N 0.41 3.61 0.20 3.92 2.01 -1.26 -1.07 115.64 123.46 1n8o s THR 98 Ca 0.31 -1.28 -0.24 0.00 0.31 0.00 0.00 61.69 60.79 1n8o s THR 98 Cb -0.17 -2.74 -0.08 0.00 0.01 0.00 0.00 72.50 69.52 1n8o s THR 98 CO 0.15 0.03 0.78 0.00 -0.69 0.00 0.00 174.62 174.88 1n8o s ALA 99 N -1.42 3.42 -0.17 7.40 0.00 -0.82 -1.58 121.76 128.59 1n8o s ALA 99 Ca 0.24 0.32 -0.26 0.00 0.00 0.00 0.00 51.96 52.26 1n8o s ALA 99 Cb -0.11 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.07 1n8o s ALA 99 CO 0.16 0.29 0.89 -0.47 0.00 0.00 0.00 175.76 176.63 1n8o s TYR 100 N -1.30 3.42 -0.05 0.00 5.04 -1.26 -4.74 117.35 118.46 1n8o s TYR 100 Ca 0.39 1.33 0.15 0.00 -2.44 0.00 0.00 57.07 56.51 1n8o s TYR 100 Cb -0.21 -3.08 -0.23 0.00 0.35 0.00 0.00 41.96 38.79 1n8o s TYR 100 CO 0.24 -0.27 0.35 1.28 -1.34 0.00 0.00 175.55 175.81 1n8o n LEU 101 N 5.35 0.03 0.00 6.97 4.77 -1.26 -4.84 117.00 128.03 1n8o n LEU 101 Ca 0.06 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1n8o n LEU 101 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1n8o n LEU 101 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1n8o n GLY 102 N 1.62 0.42 0.16 -0.72 0.00 -1.26 -3.48 105.19 101.93 1n8o n GLY 102 Ca -0.03 -0.91 -0.03 0.00 0.00 0.00 0.00 46.02 45.05 1n8o n GLY 102 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1n8o h ASP 103 N 8.62 0.15 0.00 1.61 2.03 -1.97 -2.61 116.42 124.25 1n8o h ASP 103 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 1n8o h ASP 103 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1n8o h ASP 103 CO 0.00 0.72 0.00 0.00 -1.03 0.00 0.00 179.24 178.93 1n8o n ALA 104 N -2.45 1.35 -0.16 4.15 0.00 -1.23 -0.89 120.51 121.28 1n8o n ALA 104 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1n8o n ALA 104 Cb 0.61 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 19.17 1n8o n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n8o n GLY 105 N -1.14 2.92 3.26 0.00 0.00 -0.98 -4.88 105.19 104.36 1n8o n GLY 105 Ca 0.00 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1n8o n GLY 105 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n8o s MET 106 N -1.09 2.56 0.22 1.61 1.75 -0.07 -0.62 119.30 123.66 1n8o s MET 106 Ca 0.16 -1.49 0.08 0.00 -1.25 0.00 0.00 55.69 53.20 1n8o s MET 106 Cb 0.09 -3.76 -0.04 0.00 2.84 0.00 0.00 34.83 33.96 1n8o s MET 106 CO 0.10 -0.96 0.03 -0.51 -0.65 0.00 0.00 175.02 173.03 1n8o s LEU 107 N 1.40 3.36 0.39 4.11 1.43 0.90 -4.94 118.68 125.33 1n8o s LEU 107 Ca 0.03 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 1n8o s LEU 107 Cb -0.23 -1.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.95 1n8o s LEU 107 CO 0.02 0.04 1.37 -0.60 0.23 0.00 0.00 176.35 177.40 1n8o s ARG 108 N -3.35 4.05 -0.31 1.70 3.00 -1.26 -0.75 118.95 122.02 1n8o s ARG 108 Ca 0.30 2.32 -0.24 0.00 -1.00 0.00 0.00 55.73 57.10 1n8o s ARG 108 Cb -0.08 -2.87 0.00 0.00 0.00 0.00 0.00 34.95 32.00 1n8o s ARG 108 CO 0.20 -0.48 0.84 -0.47 0.00 0.00 0.00 175.30 175.39 1n8o s TYR 109 N -1.19 3.19 -0.27 5.12 5.04 -1.20 -4.60 117.35 123.45 1n8o s TYR 109 Ca 0.55 0.87 -0.04 0.00 -2.44 0.00 0.00 57.07 56.01 1n8o s TYR 109 Cb -0.42 -3.31 0.09 0.00 0.35 0.00 0.00 41.96 38.68 1n8o s TYR 109 CO 0.55 -0.61 0.12 1.21 -1.34 0.00 0.00 175.55 175.48 1n8o s ASN 110 N 1.63 3.36 0.00 4.32 2.47 -1.26 -4.76 114.94 120.70 1n8o s ASN 110 Ca 0.35 -1.19 0.17 0.00 0.42 0.00 0.00 52.86 52.60 1n8o s ASN 110 Cb -0.14 -0.36 0.75 0.00 -1.45 0.00 0.00 41.25 40.05 1n8o s ASN 110 CO 0.13 -0.42 1.52 -1.54 -3.72 0.00 0.00 177.10 173.07 1n8o n SER 111 N 5.23 0.00 0.19 -4.21 3.41 -1.26 -3.35 113.62 113.64 1n8o n SER 111 Ca -0.06 0.38 0.05 0.00 -0.26 0.00 0.00 58.87 58.97 1n8o n SER 111 Cb 0.43 -0.44 0.39 0.00 -0.26 0.00 0.00 64.21 64.33 1n8o n SER 111 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1n8o h LYS 112 N 0.00 0.00 -6.10 4.33 1.57 -1.95 -3.43 116.57 110.98 1n8o h LYS 112 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 1n8o h LYS 112 Cb 0.25 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.35 1n8o h LYS 112 CO 0.00 0.36 -0.82 -0.51 -0.57 0.00 0.00 179.45 177.91 1n8o s LEU 113 N -7.70 2.30 0.46 2.94 2.01 -1.21 -5.15 118.68 112.33 1n8o s LEU 113 Ca -0.02 -0.69 -0.22 0.00 0.01 0.00 0.00 54.13 53.21 1n8o s LEU 113 Cb 0.13 -0.86 -0.08 0.00 0.01 0.00 0.00 46.19 45.39 1n8o s LEU 113 CO 0.70 0.04 1.06 -2.16 1.01 0.00 0.00 176.35 177.00 1n8o s PRO 114 N -1.94 3.90 -0.19 1.29 0.04 -1.26 -4.73 135.00 132.11 1n8o s PRO 114 Ca 0.06 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 1n8o s PRO 114 Cb -0.10 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1n8o s PRO 114 CO 0.04 -0.37 0.43 0.42 0.04 0.00 0.00 177.00 177.56 1n8o s ILE 115 N -1.82 5.18 -0.18 0.56 1.01 -0.46 -4.95 121.20 120.55 1n8o s ILE 115 Ca 0.64 0.78 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1n8o s ILE 115 Cb -0.20 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1n8o s ILE 115 CO 0.24 0.25 -0.17 -0.69 0.00 0.00 0.00 174.94 174.57 1n8o s VAL 116 N 1.25 1.92 -0.08 2.92 1.01 -1.26 -1.01 120.40 125.15 1n8o s VAL 116 Ca 0.21 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.33 1n8o s VAL 116 Cb -0.15 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.45 1n8o s VAL 116 CO 0.08 0.47 -0.23 -0.69 0.00 0.00 0.00 175.10 174.73 1n8o s VAL 117 N 1.34 1.93 -0.23 2.92 1.01 0.18 -0.98 120.40 126.56 1n8o s VAL 117 Ca 0.04 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1n8o s VAL 117 Cb -0.13 -1.66 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 1n8o s VAL 117 CO -0.12 0.53 0.13 -0.31 0.00 0.00 0.00 175.10 175.34 1n8o s TYR 118 N 0.17 3.28 0.25 5.22 1.51 0.79 -0.74 117.35 127.83 1n8o s TYR 118 Ca -0.12 0.12 0.08 0.00 -1.01 0.00 0.00 57.07 56.14 1n8o s TYR 118 Cb -0.16 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1n8o s TYR 118 CO 0.06 0.03 -0.11 0.95 -1.11 0.00 0.00 175.55 175.37 1n8o s THR 119 N 0.99 1.80 0.71 -0.71 -4.23 -0.19 -0.57 115.64 113.44 1n8o s THR 119 Ca 0.06 -2.20 -0.16 0.00 -1.18 0.00 0.00 61.69 58.22 1n8o s THR 119 Cb -0.13 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.42 1n8o s THR 119 CO 0.04 -0.43 0.81 -2.65 -0.54 0.00 0.00 174.62 171.84 1n8o n PRO 120 N -0.51 0.46 -0.20 3.99 -0.02 -1.26 -0.38 135.00 137.08 1n8o n PRO 120 Ca -0.06 0.21 0.22 0.00 -2.02 0.00 0.00 63.50 61.85 1n8o n PRO 120 Cb 0.62 -2.07 0.60 0.00 -0.02 0.00 0.00 33.50 32.63 1n8o n PRO 120 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1n8o h ASP 121 N -0.23 0.23 -0.13 2.55 3.32 -1.63 -2.12 116.42 118.41 1n8o h ASP 121 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1n8o h ASP 121 Cb 1.34 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1n8o h ASP 121 CO 0.46 0.09 0.00 -0.46 -1.72 0.00 0.00 179.24 177.61 1n8o n ASN 122 N -4.42 1.41 -4.36 6.45 0.23 -1.26 -4.85 115.26 108.46 1n8o n ASN 122 Ca 0.18 -1.64 -0.32 0.00 -0.53 0.00 0.00 54.58 52.27 1n8o n ASN 122 Cb 0.78 -0.08 -0.15 0.00 -2.08 0.00 0.00 39.78 38.25 1n8o n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1n8o s VAL 123 N -1.84 2.41 0.09 3.53 1.01 -0.80 -4.72 120.40 120.08 1n8o s VAL 123 Ca 0.32 -0.97 0.07 0.00 0.00 0.00 0.00 61.98 61.41 1n8o s VAL 123 Cb 0.17 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1n8o s VAL 123 CO 0.26 0.58 -0.12 -1.81 0.00 0.00 0.00 175.10 174.02 1n8o s ASP 124 N -0.59 4.28 -0.19 3.32 1.01 -0.21 -4.80 116.67 119.48 1n8o s ASP 124 Ca 0.09 -0.39 -0.03 0.00 0.71 0.00 0.00 52.55 52.93 1n8o s ASP 124 Cb -0.11 -0.79 -0.01 0.00 1.01 0.00 0.00 42.92 43.02 1n8o s ASP 124 CO 0.00 0.20 -0.06 -0.69 0.21 0.00 0.00 175.17 174.83 1n8o s VAL 125 N -1.15 3.42 0.43 -1.27 1.01 -1.26 -0.97 120.40 120.59 1n8o s VAL 125 Ca 0.20 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1n8o s VAL 125 Cb -0.11 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1n8o s VAL 125 CO 0.12 0.46 0.03 -0.54 0.00 0.00 0.00 175.10 175.16 1n8o s LYS 126 N 1.01 1.98 0.13 2.72 1.02 0.26 -5.00 119.74 121.86 1n8o s LYS 126 Ca 0.00 -2.17 -0.21 0.00 0.02 0.00 0.00 55.97 53.61 1n8o s LYS 126 Cb -0.15 -1.38 0.06 0.00 -0.52 0.00 0.00 37.83 35.84 1n8o s LYS 126 CO 0.00 -0.21 0.54 1.52 -0.92 0.00 0.00 175.35 176.28 1n8o s TYR 127 N -2.91 -0.44 0.03 3.18 -0.85 -1.26 -0.94 117.35 114.17 1n8o s TYR 127 Ca 0.25 0.24 0.02 0.00 -0.52 0.00 0.00 57.07 57.06 1n8o s TYR 127 Cb 0.07 0.45 -0.02 0.00 0.38 0.00 0.00 41.96 42.84 1n8o s TYR 127 CO 0.13 -0.78 -0.07 0.50 -1.52 0.00 0.00 175.55 173.80 1n8o s ARG 128 N -3.58 0.50 -0.04 -3.49 3.52 -0.52 -4.95 118.95 110.38 1n8o s ARG 128 Ca 0.01 -0.60 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 1n8o s ARG 128 Cb -0.00 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.03 1n8o s ARG 128 CO -0.11 0.07 0.11 0.08 -0.81 0.00 0.00 175.30 174.64 1n8o s VAL 129 N -1.03 5.06 -0.05 7.11 1.01 -1.26 -0.92 120.40 130.32 1n8o s VAL 129 Ca -0.07 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1n8o s VAL 129 Cb -0.08 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1n8o s VAL 129 CO 0.00 0.44 -0.22 0.26 0.00 0.00 0.00 175.10 175.59 1n8o s TRP 130 N -1.15 2.49 -0.06 5.22 0.52 -0.30 -4.96 118.94 120.70 1n8o s TRP 130 Ca 0.21 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.88 1n8o s TRP 130 Cb -0.12 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.60 1n8o s TRP 130 CO 0.11 -0.07 -0.22 -1.59 0.02 0.00 0.00 176.95 175.20 1n8o s LYS 131 N -0.39 2.32 0.49 4.98 0.00 -1.26 -0.84 119.74 125.04 1n8o s LYS 131 Ca 0.03 -0.80 -0.20 0.00 0.00 0.00 0.00 55.97 55.00 1n8o s LYS 131 Cb -0.12 -1.96 -0.08 0.00 0.00 0.00 0.00 37.83 35.67 1n8o s LYS 131 CO 0.02 0.32 1.05 0.00 0.00 0.00 0.00 175.35 176.73 1n8o s ALA 132 N -0.05 2.86 0.30 0.59 0.00 -0.49 -5.01 121.76 119.97 1n8o s ALA 132 Ca -0.05 0.63 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 1n8o s ALA 132 Cb -0.13 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1n8o s ALA 132 CO 0.04 -0.35 0.64 -1.21 0.00 0.00 0.00 175.76 174.87 1n8o s GLU 133 N -3.23 3.79 -1.16 0.00 2.02 -1.26 -5.01 118.70 113.86 1n8o s GLU 133 Ca 0.68 0.33 -0.14 0.00 0.02 0.00 0.00 54.97 55.86 1n8o s GLU 133 Cb -0.17 -2.54 0.17 0.00 0.10 0.00 0.00 34.13 31.69 1n8o s GLU 133 CO 0.21 0.18 1.36 -1.83 0.02 0.00 0.00 175.26 175.19 1n8o s GLU 134 N -3.27 4.03 0.00 1.61 4.04 -1.26 -4.83 118.70 119.02 1n8o s GLU 134 Ca 0.49 -2.53 0.00 0.00 0.04 0.00 0.00 54.97 52.97 1n8o s GLU 134 Cb -0.11 -5.00 0.00 0.00 0.02 0.00 0.00 34.13 29.05 1n8o s GLU 134 CO 0.25 -1.72 0.00 0.36 -1.84 0.00 0.00 175.26 172.31 1n8o n LYS 135 N 5.51 0.00 -4.44 -4.83 0.00 -1.26 -5.15 118.16 107.98 1n8o n LYS 135 Ca 0.34 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.39 1n8o n LYS 135 Cb 0.43 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.30 1n8o n LYS 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1n8o s ILE 136 N -0.85 1.17 0.48 0.58 1.01 -1.26 -5.12 121.20 117.22 1n8o s ILE 136 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.23 1n8o s ILE 136 Cb 0.00 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 1n8o s ILE 136 CO 0.00 0.37 0.23 -1.81 0.00 0.00 0.00 174.94 173.73 1n8o s ASP 137 N 0.90 4.44 0.04 3.58 1.01 -1.26 -5.12 116.67 120.26 1n8o s ASP 137 Ca -0.10 -1.27 0.08 0.00 0.71 0.00 0.00 52.55 51.98 1n8o s ASP 137 Cb -0.15 0.08 -0.03 0.00 1.01 0.00 0.00 42.92 43.83 1n8o s ASP 137 CO 0.01 -0.82 -0.23 0.20 0.21 0.00 0.00 175.17 174.53 1n8o s ASN 138 N -4.04 3.41 0.89 0.27 0.01 -1.26 -5.11 114.94 109.11 1n8o s ASN 138 Ca 0.31 -0.51 -0.12 0.00 -0.71 0.00 0.00 52.86 51.83 1n8o s ASN 138 Cb 0.01 -0.43 0.12 0.00 0.41 0.00 0.00 41.25 41.37 1n8o s ASN 138 CO 0.18 0.27 1.11 0.00 -1.51 0.00 0.00 177.10 177.14 1n8o s ALA 139 N -0.83 1.72 0.10 0.60 0.00 -1.26 -5.07 121.76 117.02 1n8o s ALA 139 Ca 0.13 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 51.87 1n8o s ALA 139 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1n8o s ALA 139 CO 0.03 -2.23 -0.17 0.14 0.00 0.00 0.00 175.76 173.53 1n8o s VAL 140 N -3.11 2.90 -0.19 0.00 -7.23 -1.26 -5.09 120.40 106.42 1n8o s VAL 140 Ca 0.63 -1.42 -0.24 0.00 -1.81 0.00 0.00 61.98 59.15 1n8o s VAL 140 Cb -0.16 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 1n8o s VAL 140 CO 0.55 0.15 0.76 -0.69 -0.31 0.00 0.00 175.10 175.56 1n8o s VAL 141 N -1.11 4.92 0.00 1.32 1.01 -1.26 -5.36 120.40 119.92 1n8o s VAL 141 Ca 0.18 1.46 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1n8o s VAL 141 Cb -0.11 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1n8o s VAL 141 CO 0.10 0.04 0.00 0.54 0.00 0.00 0.00 175.10 175.78