#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v8o n GLY 1 N 0.00 -0.39 3.13 1.69 0.00 -1.26 -4.62 105.19 103.75 1v8o n GLY 1 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1v8o n GLY 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8o n ALA 1 N -1.28 3.43 0.00 4.61 0.00 -1.26 -4.71 120.51 121.30 1v8o n ALA 1 Ca 0.02 -3.38 0.00 0.00 0.00 0.00 0.00 53.44 50.08 1v8o n ALA 1 Cb 0.03 -3.60 0.00 0.00 0.00 0.00 0.00 19.45 15.88 1v8o n ALA 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8o n ALA 2 N 8.30 0.00 -1.76 0.00 0.00 -1.26 -4.97 120.51 120.82 1v8o n ALA 2 Ca 0.49 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.51 1v8o n ALA 2 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 1v8o n ALA 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1v8o s VAL 3 N -0.45 2.56 -0.12 0.00 1.01 -1.25 -4.50 120.40 117.65 1v8o s VAL 3 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1v8o s VAL 3 Cb 0.00 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.22 1v8o s VAL 3 CO 0.00 0.00 -0.11 -0.62 0.00 0.00 0.00 175.10 174.37 1v8o n GLU 4 N 5.42 0.30 -4.35 2.72 1.02 -0.03 -5.00 120.64 120.72 1v8o n GLU 4 Ca 0.17 0.07 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 1v8o n GLU 4 Cb 0.38 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.46 1v8o n GLU 4 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1v8o s TYR 5 N -2.24 2.46 -0.18 -0.32 1.51 -0.19 -1.80 117.35 116.58 1v8o s TYR 5 Ca -0.16 -0.30 -0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1v8o s TYR 5 Cb 0.04 -1.26 -0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1v8o s TYR 5 CO 0.28 0.44 -0.10 -1.17 -1.11 0.00 0.00 175.55 173.89 1v8o s LEU 6 N -2.42 2.69 -0.20 -1.29 2.96 -0.62 -0.78 118.68 119.03 1v8o s LEU 6 Ca 0.20 -0.42 -0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1v8o s LEU 6 Cb -0.09 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.92 1v8o s LEU 6 CO 0.11 0.04 0.02 -0.69 -1.32 0.00 0.00 176.35 174.50 1v8o s VAL 7 N 1.09 4.18 0.40 1.68 1.01 0.57 0.90 120.40 130.23 1v8o s VAL 7 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1v8o s VAL 7 Cb -0.15 -2.89 0.08 0.00 0.00 0.00 0.00 36.38 33.43 1v8o s VAL 7 CO -0.02 0.43 0.54 -0.90 0.00 0.00 0.00 175.10 175.15 1v8o n ASP 8 N 4.09 0.42 -0.12 3.32 5.68 -0.87 -4.60 116.55 124.47 1v8o n ASP 8 Ca -0.17 -1.43 -0.10 0.00 -0.50 0.00 0.00 54.79 52.60 1v8o n ASP 8 Cb 0.52 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.10 1v8o n ASP 8 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1v8o h ALA 9 N -1.05 0.46 -0.59 2.12 0.00 -1.90 -0.28 119.26 118.02 1v8o h ALA 9 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1v8o h ALA 9 Cb 0.58 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1v8o h ALA 9 CO 0.16 0.07 0.38 0.66 0.00 0.00 0.00 179.25 180.52 1v8o h SER 10 N 0.42 0.68 0.08 0.00 4.64 -1.94 -1.47 113.55 115.96 1v8o h SER 10 Ca 0.12 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.18 1v8o h SER 10 Cb 0.21 -0.17 0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1v8o h SER 10 CO -0.01 0.50 -0.96 0.00 -0.87 0.00 0.00 176.83 175.50 1v8o h ALA 11 N 1.62 0.01 -0.99 5.18 0.00 -1.78 -2.89 119.26 120.41 1v8o h ALA 11 Ca 0.21 -0.69 0.16 0.00 0.00 0.00 0.00 54.91 54.59 1v8o h ALA 11 Cb -0.08 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1v8o h ALA 11 CO -0.04 0.53 0.60 1.25 0.00 0.00 0.00 179.25 181.59 1v8o h LEU 12 N 0.05 0.83 0.10 0.00 7.12 -0.54 0.45 115.31 123.32 1v8o h LEU 12 Ca -0.14 0.08 -0.00 0.00 0.13 0.00 0.00 57.88 57.94 1v8o h LEU 12 Cb 1.67 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.72 1v8o h LEU 12 CO 0.18 0.37 -0.05 0.22 -0.13 0.00 0.00 178.44 179.03 1v8o h TYR 13 N 0.85 -0.13 -0.59 1.25 3.20 -1.28 -0.75 116.97 119.53 1v8o h TYR 13 Ca 0.53 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.37 1v8o h TYR 13 Cb 0.70 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 1v8o h TYR 13 CO -0.01 0.15 0.26 0.00 -1.64 0.00 0.00 178.16 176.91 1v8o h ALA 14 N 0.47 1.35 -0.19 1.82 0.00 -1.10 -2.50 119.26 119.11 1v8o h ALA 14 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1v8o h ALA 14 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1v8o h ALA 14 CO 0.02 0.50 -0.36 -0.07 0.00 0.00 0.00 179.25 179.34 1v8o h LEU 15 N 0.84 0.41 0.00 0.00 3.38 0.04 -2.53 115.31 117.44 1v8o h LEU 15 Ca 0.20 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1v8o h LEU 15 Cb 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1v8o h LEU 15 CO -0.02 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1v8o n ALA 16 N -2.49 1.17 1.15 1.53 0.00 -0.30 -0.31 120.51 121.26 1v8o n ALA 16 Ca -0.01 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1v8o n ALA 16 Cb 0.46 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 19.10 1v8o n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8o n ALA 17 N -1.42 2.71 -2.64 0.00 0.00 -0.95 -4.20 120.51 114.02 1v8o n ALA 17 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1v8o n ALA 17 Cb 0.02 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 18.58 1v8o n ALA 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1v8o n HIS 18 N 0.66 0.84 -0.31 0.00 8.25 0.57 -4.98 115.22 120.25 1v8o n HIS 18 Ca 0.14 -1.53 -0.08 0.00 -0.26 0.00 0.00 57.72 56.00 1v8o n HIS 18 Cb 0.49 -0.21 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 1v8o n HIS 18 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1v8o n TYR 19 N -0.22 -0.32 -0.20 4.41 9.36 -1.15 -0.97 117.16 128.06 1v8o n TYR 19 Ca 0.09 0.92 0.21 0.00 3.32 0.00 0.00 57.90 62.44 1v8o n TYR 19 Cb 0.93 -0.55 0.57 0.00 -0.63 0.00 0.00 39.34 39.66 1v8o n TYR 19 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1v8o h ASP 20 N 0.00 0.29 0.86 2.98 3.32 -1.93 -1.19 116.42 120.75 1v8o h ASP 20 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1v8o h ASP 20 Cb 0.30 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1v8o h ASP 20 CO -0.69 0.12 0.00 0.29 -1.72 0.00 0.00 179.24 177.23 1v8o n LYS 21 N -4.45 0.14 0.00 3.56 5.02 -0.15 -4.16 118.16 118.13 1v8o n LYS 21 Ca 0.18 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1v8o n LYS 21 Cb 0.73 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1v8o n LYS 21 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 1v8o n TRP 22 N -1.99 0.00 -0.24 2.13 4.27 -0.55 -4.82 117.44 116.25 1v8o n TRP 22 Ca 0.04 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.77 1v8o n TRP 22 Cb 0.27 0.00 0.40 0.00 -1.36 0.00 0.00 31.31 30.62 1v8o n TRP 22 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1v8o h ILE 23 N 0.21 0.85 0.00 -1.67 5.03 -1.46 0.25 117.51 120.72 1v8o h ILE 23 Ca 0.00 -0.22 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 1v8o h ILE 23 Cb 0.11 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 34.05 1v8o h ILE 23 CO 0.00 0.12 0.00 2.29 -0.68 0.00 0.00 178.15 179.88 1v8o n LYS 24 N -4.53 0.01 -0.09 2.37 2.85 -1.26 -1.29 118.16 116.21 1v8o n LYS 24 Ca 0.16 0.39 0.03 0.00 -1.05 0.00 0.00 58.31 57.84 1v8o n LYS 24 Cb 0.45 -1.52 0.08 0.00 -0.65 0.00 0.00 35.03 33.39 1v8o n LYS 24 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1v8o n HIS 25 N -1.53 0.23 -0.34 5.58 8.25 0.87 -4.76 115.22 123.52 1v8o n HIS 25 Ca 0.02 -0.52 0.23 0.00 -0.26 0.00 0.00 57.72 57.18 1v8o n HIS 25 Cb 0.08 -0.05 0.46 0.00 1.12 0.00 0.00 29.99 31.61 1v8o n HIS 25 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1v8o h ARG 26 N 0.96 0.37 0.00 -0.41 0.11 -0.93 0.34 114.38 114.82 1v8o h ARG 26 Ca 0.00 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 1v8o h ARG 26 Cb 0.64 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.64 1v8o h ARG 26 CO 0.01 0.25 -0.00 0.93 0.10 0.00 0.00 179.97 181.25 1v8o h GLU 27 N 0.38 0.00 0.00 0.08 5.08 -1.84 -1.02 114.58 117.26 1v8o h GLU 27 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1v8o h GLU 27 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1v8o h GLU 27 CO -0.54 0.00 -0.55 0.87 -1.00 0.00 0.00 179.01 177.79 1v8o h LYS 28 N 0.00 0.00 -5.85 2.33 1.57 -0.53 -3.34 116.57 110.75 1v8o h LYS 28 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1v8o h LYS 28 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1v8o h LYS 28 CO 0.00 0.00 -0.43 -0.51 -0.57 0.00 0.00 179.45 177.94 1v8o s LEU 29 N -4.42 4.37 0.08 2.94 2.01 -0.39 -0.85 118.68 122.41 1v8o s LEU 29 Ca 0.06 0.47 -0.03 0.00 0.01 0.00 0.00 54.13 54.64 1v8o s LEU 29 Cb 0.13 -2.62 -0.03 0.00 0.01 0.00 0.00 46.19 43.67 1v8o s LEU 29 CO 0.71 0.26 0.06 0.00 1.01 0.00 0.00 176.35 178.39 1v8o s ALA 30 N -1.30 0.37 0.31 4.21 0.00 0.04 -3.06 121.76 122.34 1v8o s ALA 30 Ca 0.27 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1v8o s ALA 30 Cb -0.13 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 1v8o s ALA 30 CO 0.17 -0.44 0.22 0.96 0.00 0.00 0.00 175.76 176.66 1v8o s ILE 31 N -3.93 0.11 0.17 0.00 -4.36 -0.09 -0.31 121.20 112.79 1v8o s ILE 31 Ca 0.10 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.57 1v8o s ILE 31 Cb 0.07 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 1v8o s ILE 31 CO -0.07 0.00 0.01 -0.76 0.24 0.00 0.00 174.94 174.36 1v8o s LEU 32 N -3.36 3.36 0.57 0.37 1.43 -1.26 -0.34 118.68 119.45 1v8o s LEU 32 Ca 0.38 -0.37 0.28 0.00 -1.03 0.00 0.00 54.13 53.39 1v8o s LEU 32 Cb 0.04 -2.01 1.48 0.00 0.03 0.00 0.00 46.19 45.73 1v8o s LEU 32 CO 0.22 0.09 1.95 0.45 0.23 0.00 0.00 176.35 179.28 1v8o h HIS 33 N 2.67 0.00 -0.80 0.29 3.86 -1.93 0.31 115.15 119.55 1v8o h HIS 33 Ca -0.47 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 58.75 1v8o h HIS 33 Cb 1.20 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.63 1v8o h HIS 33 CO 0.62 0.00 0.53 1.25 0.86 0.00 0.00 177.93 181.19 1v8o h LEU 34 N 0.00 0.91 -0.90 2.43 6.46 -1.96 -2.90 115.31 119.35 1v8o h LEU 34 Ca 0.24 -0.02 0.18 0.00 -0.12 0.00 0.00 57.88 58.16 1v8o h LEU 34 Cb 1.12 -0.23 -0.11 0.00 -0.73 0.00 0.00 40.66 40.72 1v8o h LEU 34 CO -0.00 0.66 0.46 0.74 -0.62 0.00 0.00 178.44 179.68 1v8o h THR 35 N 1.08 0.63 -0.60 1.05 2.02 -0.75 0.61 112.91 116.95 1v8o h THR 35 Ca 0.29 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1v8o h THR 35 Cb -0.12 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.26 1v8o h THR 35 CO -0.06 0.10 0.37 0.40 0.37 0.00 0.00 175.52 176.70 1v8o h ILE 36 N 0.57 1.09 -0.18 3.11 2.04 -1.61 0.24 117.51 122.78 1v8o h ILE 36 Ca 0.52 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 66.01 1v8o h ILE 36 Cb 0.86 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1v8o h ILE 36 CO -0.42 0.14 -0.34 1.88 0.00 0.00 0.00 178.15 179.40 1v8o h TYR 37 N 0.74 0.68 -0.28 1.37 -1.99 -1.21 -0.14 116.97 116.14 1v8o h TYR 37 Ca 0.23 -0.24 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1v8o h TYR 37 Cb -0.01 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1v8o h TYR 37 CO -0.05 0.97 0.13 0.93 -0.00 0.00 0.00 178.16 180.15 1v8o h GLU 38 N 0.19 0.41 -0.32 4.88 5.08 -0.77 0.19 114.58 124.26 1v8o h GLU 38 Ca 0.01 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1v8o h GLU 38 Cb 0.93 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1v8o h GLU 38 CO 0.08 0.41 0.18 0.00 -1.00 0.00 0.00 179.01 178.68 1v8o h ALA 39 N 0.98 0.40 0.10 3.43 0.00 -0.57 -1.43 119.26 122.18 1v8o h ALA 39 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1v8o h ALA 39 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1v8o h ALA 39 CO -0.01 -0.08 -0.13 0.78 0.00 0.00 0.00 179.25 179.81 1v8o h GLY 40 N 0.40 -0.25 2.00 0.00 0.00 -0.70 -1.91 103.07 102.60 1v8o h GLY 40 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1v8o h GLY 40 CO -0.02 -0.13 -0.05 -0.57 0.00 0.00 0.00 176.54 175.77 1v8o h ASN 41 N -0.27 0.00 -0.19 0.19 -0.73 -0.51 -0.16 115.58 113.91 1v8o h ASN 41 Ca 0.01 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.13 1v8o h ASN 41 Cb 0.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1v8o h ASN 41 CO -0.05 0.05 -0.08 0.00 -0.37 0.00 0.00 177.43 176.97 1v8o h ALA 42 N 1.95 0.27 -0.09 1.57 0.00 -0.73 -2.44 119.26 119.79 1v8o h ALA 42 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 1v8o h ALA 42 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1v8o h ALA 42 CO 0.01 0.09 -0.24 1.25 0.00 0.00 0.00 179.25 180.35 1v8o h LEU 43 N 0.09 0.16 -0.63 0.00 7.12 -0.58 -2.66 115.31 118.82 1v8o h LEU 43 Ca 0.04 -0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1v8o h LEU 43 Cb 0.56 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 1v8o h LEU 43 CO 0.03 0.41 0.23 -0.25 -0.13 0.00 0.00 178.44 178.72 1v8o h TRP 44 N 0.15 0.98 -0.76 1.25 7.01 -0.84 -2.02 115.95 121.72 1v8o h TRP 44 Ca 0.03 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 1v8o h TRP 44 Cb 0.51 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.25 1v8o h TRP 44 CO 0.01 0.78 0.41 0.87 -2.79 0.00 0.00 178.44 177.72 1v8o h LYS 45 N 0.89 1.06 -0.26 2.65 1.57 -1.08 0.21 116.57 121.61 1v8o h LYS 45 Ca 0.21 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1v8o h LYS 45 Cb 0.24 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1v8o h LYS 45 CO -0.01 0.79 -0.16 0.93 -0.57 0.00 0.00 179.45 180.42 1v8o h GLU 46 N 1.05 0.46 -0.54 3.15 5.08 -1.41 0.11 114.58 122.48 1v8o h GLU 46 Ca 0.27 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 1v8o h GLU 46 Cb 0.05 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1v8o h GLU 46 CO -0.04 0.61 -0.10 0.00 -1.00 0.00 0.00 179.01 178.49 1v8o h ALA 47 N 1.41 0.81 -0.49 3.43 0.00 -0.58 -2.75 119.26 121.08 1v8o h ALA 47 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1v8o h ALA 47 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1v8o h ALA 47 CO 0.03 0.66 0.25 -0.09 0.00 0.00 0.00 179.25 180.11 1v8o h ARG 48 N 0.90 0.70 -0.98 0.00 1.12 0.37 -1.34 114.38 115.14 1v8o h ARG 48 Ca 0.14 -0.09 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 1v8o h ARG 48 Cb 0.65 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1v8o h ARG 48 CO 0.05 0.57 0.00 1.28 -3.11 0.00 0.00 179.97 178.76 1v8o n LEU 49 N -4.63 1.16 -1.27 3.80 4.77 0.28 -4.95 117.00 116.16 1v8o n LEU 49 Ca 0.02 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1v8o n LEU 49 Cb 0.10 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1v8o n LEU 49 CO 0.37 0.27 -0.38 0.61 -1.33 0.00 0.00 177.39 176.92 1v8o n GLY 50 N 0.06 -4.00 0.00 -0.72 0.00 -0.50 -5.03 105.19 95.00 1v8o n GLY 50 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1v8o n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1v8o n ARG 51 N -1.88 0.00 -1.51 1.61 1.85 -1.26 -4.78 116.66 110.68 1v8o n ARG 51 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1v8o n ARG 51 Cb 0.25 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.59 1v8o n ARG 51 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1v8o n VAL 52 N 0.00 0.01 0.00 8.89 0.24 -1.26 -3.73 118.33 122.48 1v8o n VAL 52 Ca 0.00 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1v8o n VAL 52 Cb 0.00 -1.86 0.00 0.00 -1.47 0.00 0.00 33.84 30.51 1v8o n VAL 52 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1v8o n ASP 53 N 12.83 0.00 -0.26 -1.34 3.85 -1.26 -5.03 116.55 125.35 1v8o n ASP 53 Ca 0.46 0.00 0.07 0.00 -0.71 0.00 0.00 54.79 54.61 1v8o n ASP 53 Cb 0.32 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.29 1v8o n ASP 53 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 1v8o h TRP 54 N 0.00 0.29 -0.09 2.11 5.08 -1.97 1.68 115.95 123.06 1v8o h TRP 54 Ca 0.00 0.04 -0.00 0.00 1.08 0.00 0.00 58.89 60.01 1v8o h TRP 54 Cb 0.00 -0.01 -0.00 0.00 -3.00 0.00 0.00 29.16 26.15 1v8o h TRP 54 CO 0.00 -0.10 0.05 0.00 -1.28 0.00 0.00 178.44 177.11 1v8o h ALA 55 N 1.64 0.11 0.23 0.11 0.00 -1.95 0.55 119.26 119.95 1v8o h ALA 55 Ca 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1v8o h ALA 55 Cb 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1v8o h ALA 55 CO -0.53 -0.37 -0.11 0.00 0.00 0.00 0.00 179.25 178.24 1v8o h ALA 56 N 0.99 -0.31 -0.82 0.00 0.00 -1.48 -1.35 119.26 116.29 1v8o h ALA 56 Ca 0.03 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.93 1v8o h ALA 56 Cb 0.03 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.85 1v8o h ALA 56 CO -0.01 -0.54 0.38 0.00 0.00 0.00 0.00 179.25 179.08 1v8o h ALA 57 N 0.10 1.21 -0.26 0.00 0.00 0.25 0.18 119.26 120.74 1v8o h ALA 57 Ca -0.03 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1v8o h ALA 57 Cb 0.43 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1v8o h ALA 57 CO 0.05 -0.16 -0.28 0.66 0.00 0.00 0.00 179.25 179.52 1v8o h SER 58 N 0.53 0.53 -0.17 0.00 4.64 0.22 -0.35 113.55 118.95 1v8o h SER 58 Ca 0.45 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1v8o h SER 58 Cb 0.68 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1v8o h SER 58 CO -0.39 0.79 0.04 -0.09 -0.87 0.00 0.00 176.83 176.32 1v8o h ARG 59 N 0.45 0.11 -0.43 4.77 2.43 0.47 0.16 114.38 122.36 1v8o h ARG 59 Ca 0.06 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1v8o h ARG 59 Cb 0.73 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1v8o h ARG 59 CO 0.06 0.08 0.22 1.25 -1.51 0.00 0.00 179.97 180.07 1v8o h HIS 60 N 0.12 0.59 -0.95 2.20 2.76 -0.74 -1.70 115.15 117.43 1v8o h HIS 60 Ca 0.07 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1v8o h HIS 60 Cb 0.06 -0.19 -0.05 0.00 1.55 0.00 0.00 27.41 28.78 1v8o h HIS 60 CO -0.12 0.46 0.61 1.25 -1.30 0.00 0.00 177.93 178.83 1v8o h LEU 61 N 0.55 1.11 -0.57 0.26 6.46 -0.75 -0.85 115.31 121.53 1v8o h LEU 61 Ca 0.15 -0.05 0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1v8o h LEU 61 Cb 0.07 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.68 1v8o h LEU 61 CO -0.02 0.83 0.30 0.50 -0.62 0.00 0.00 178.44 179.42 1v8o h LYS 62 N 1.30 0.56 0.89 1.25 3.64 -0.16 -2.78 116.57 121.26 1v8o h LYS 62 Ca 0.35 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.65 1v8o h LYS 62 Cb -0.11 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1v8o h LYS 62 CO -0.07 0.37 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.82 1v8o h LYS 63 N 0.57 -1.17 -0.76 1.90 3.64 -0.43 -2.24 116.57 118.09 1v8o h LYS 63 Ca 0.25 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1v8o h LYS 63 Cb 0.14 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1v8o h LYS 63 CO -0.16 -0.78 0.00 0.28 -2.27 0.00 0.00 179.45 176.52 1v8o n VAL 64 N -5.61 0.00 0.00 2.00 0.31 -0.41 -3.32 118.33 111.30 1v8o n VAL 64 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1v8o n VAL 64 Cb 0.48 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 1v8o n VAL 64 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1v8o n SER 66 N 0.54 0.00 0.25 4.52 3.41 -0.84 -4.17 113.62 117.32 1v8o n SER 66 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1v8o n SER 66 Cb 0.00 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.60 1v8o n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1v8o h SER 67 N 0.00 0.00 -3.12 4.04 0.02 -1.85 -3.44 113.55 109.20 1v8o h SER 67 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1v8o h SER 67 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1v8o h SER 67 CO 0.00 0.16 -0.28 -0.36 -1.14 0.00 0.00 176.83 175.21 1v8o s PHE 68 N -4.16 3.54 0.49 3.45 0.40 -1.26 -4.71 117.98 115.73 1v8o s PHE 68 Ca -0.02 0.69 -0.19 0.00 -0.60 0.00 0.00 56.93 56.80 1v8o s PHE 68 Cb 0.13 -2.09 -0.08 0.00 0.51 0.00 0.00 43.02 41.49 1v8o s PHE 68 CO 0.61 0.49 1.01 0.21 0.70 0.00 0.00 175.22 178.25 1v8o s LYS 69 N -2.18 3.84 -0.24 0.44 2.47 -1.17 -4.85 119.74 118.05 1v8o s LYS 69 Ca 0.36 1.24 0.01 0.00 -1.56 0.00 0.00 55.97 56.02 1v8o s LYS 69 Cb -0.13 -2.11 0.04 0.00 -1.46 0.00 0.00 37.83 34.17 1v8o s LYS 69 CO 0.20 -0.38 -0.11 0.08 0.16 0.00 0.00 175.35 175.30 1v8o s VAL 70 N -2.17 2.34 1.08 4.02 1.01 -1.26 -0.91 120.40 124.50 1v8o s VAL 70 Ca 0.65 -1.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 1v8o s VAL 70 Cb -0.14 -2.24 0.23 0.00 0.00 0.00 0.00 36.38 34.23 1v8o s VAL 70 CO 0.22 0.15 1.07 -0.76 0.00 0.00 0.00 175.10 175.78 1v8o s LEU 71 N 1.20 1.20 0.27 3.92 1.43 0.54 -4.94 118.68 122.29 1v8o s LEU 71 Ca -0.04 1.26 -0.25 0.00 -1.03 0.00 0.00 54.13 54.07 1v8o s LEU 71 Cb -0.18 -3.30 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 1v8o s LEU 71 CO -0.07 -3.62 0.87 -0.70 0.23 0.00 0.00 176.35 173.07 1v8o s GLU 72 N -4.79 4.54 0.40 1.70 2.12 -1.26 -4.41 118.70 117.00 1v8o s GLU 72 Ca 0.67 1.22 -0.26 0.00 0.36 0.00 0.00 54.97 56.96 1v8o s GLU 72 Cb -0.21 -2.94 -0.11 0.00 0.26 0.00 0.00 34.13 31.13 1v8o s GLU 72 CO 0.60 0.38 1.26 -0.25 -0.54 0.00 0.00 175.26 176.71 1v8o n ASP 73 N 0.86 2.53 -4.88 -1.70 10.43 -1.26 -4.97 116.55 117.56 1v8o n ASP 73 Ca -0.01 1.14 -0.30 0.00 2.57 0.00 0.00 54.79 58.19 1v8o n ASP 73 Cb 0.50 -1.48 0.03 0.00 1.84 0.00 0.00 41.12 42.00 1v8o n ASP 73 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 1v8o s PRO 74 N -2.09 3.23 -0.21 -0.24 0.02 -1.26 -4.97 135.00 129.48 1v8o s PRO 74 Ca 0.59 0.51 -0.29 0.00 0.02 0.00 0.00 61.00 61.83 1v8o s PRO 74 Cb -0.53 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.86 1v8o s PRO 74 CO 0.59 -0.74 1.57 -2.14 -0.33 0.00 0.00 177.00 175.96 1v8o s PRO 75 N -5.19 3.87 0.54 5.54 0.02 -1.26 -4.82 135.00 133.69 1v8o s PRO 75 Ca 0.55 1.68 0.38 0.00 0.02 0.00 0.00 61.00 63.64 1v8o s PRO 75 Cb -0.11 -4.00 1.57 0.00 0.02 0.00 0.00 34.50 31.98 1v8o s PRO 75 CO 0.51 -1.20 1.76 1.25 -0.33 0.00 0.00 177.00 178.99 1v8o h LEU 76 N 11.37 0.02 0.02 -5.54 6.46 -2.00 -0.37 115.31 125.28 1v8o h LEU 76 Ca -0.33 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.44 1v8o h LEU 76 Cb 1.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1v8o h LEU 76 CO 1.00 -0.00 -0.05 -0.78 -0.62 0.00 0.00 178.44 177.99 1v8o h ASP 77 N 0.02 -0.14 -0.31 1.25 -0.00 -2.04 -3.27 116.42 111.93 1v8o h ASP 77 Ca 0.64 0.01 0.04 0.00 -0.00 0.00 0.00 57.03 57.73 1v8o h ASP 77 Cb 2.52 0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 41.86 1v8o h ASP 77 CO -0.03 -0.06 0.06 -0.33 -0.00 0.00 0.00 179.24 178.89 1v8o h GLU 78 N -0.08 0.17 -0.95 0.28 4.39 -1.47 -2.98 114.58 113.95 1v8o h GLU 78 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1v8o h GLU 78 Cb 0.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1v8o h GLU 78 CO -0.02 0.11 0.00 0.28 -1.16 0.00 0.00 179.01 178.23 1v8o n VAL 79 N -5.08 0.00 0.00 3.13 0.31 -0.95 -2.29 118.33 113.44 1v8o n VAL 79 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1v8o n VAL 79 Cb 0.13 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1v8o n VAL 79 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1v8o n ARG 81 N 0.62 0.00 -0.22 5.55 0.63 -1.13 -0.42 116.66 121.68 1v8o n ARG 81 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1v8o n ARG 81 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1v8o n ARG 81 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1v8o h VAL 82 N 0.00 1.26 -0.21 5.15 2.07 -1.78 0.14 116.25 122.88 1v8o h VAL 82 Ca 0.00 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1v8o h VAL 82 Cb 0.00 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1v8o h VAL 82 CO 0.00 0.36 0.03 0.00 0.02 0.00 0.00 177.57 177.98 1v8o h ALA 83 N 1.04 0.20 0.36 1.67 0.00 -0.99 -0.34 119.26 121.20 1v8o h ALA 83 Ca 0.19 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1v8o h ALA 83 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1v8o h ALA 83 CO 0.01 -0.40 -0.17 0.28 0.00 0.00 0.00 179.25 178.96 1v8o h VAL 84 N 0.11 0.46 -0.13 0.00 2.07 -1.74 -0.92 116.25 116.09 1v8o h VAL 84 Ca 0.10 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1v8o h VAL 84 Cb 0.10 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1v8o h VAL 84 CO -0.14 0.09 0.12 -0.33 0.02 0.00 0.00 177.57 177.33 1v8o h GLU 85 N -0.95 0.00 -0.13 1.57 5.08 -0.69 -2.81 114.58 116.65 1v8o h GLU 85 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1v8o h GLU 85 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1v8o h GLU 85 CO 0.08 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.63 1v8o n ARG 86 N -4.15 1.37 -2.51 2.33 1.74 -0.14 -5.00 116.66 110.29 1v8o n ARG 86 Ca 0.00 -1.47 -0.13 0.00 -0.77 0.00 0.00 57.85 55.48 1v8o n ARG 86 Cb 0.24 -1.23 0.01 0.00 -1.02 0.00 0.00 32.46 30.46 1v8o n ARG 86 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1v8o n GLY 87 N 0.57 -0.07 3.85 -0.13 0.00 -0.80 -5.03 105.19 103.57 1v8o n GLY 87 Ca 0.08 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1v8o n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 88 N -3.90 3.55 0.00 0.99 1.43 -0.41 -5.04 118.68 115.30 1v8o s LEU 88 Ca 0.11 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1v8o s LEU 88 Cb -0.05 -2.16 0.22 0.00 0.03 0.00 0.00 46.19 44.23 1v8o s LEU 88 CO 0.13 -0.38 1.06 0.35 0.23 0.00 0.00 176.35 177.74 1v8o n THR 89 N -1.38 0.00 0.03 5.49 -2.24 -1.26 -4.51 114.28 110.41 1v8o n THR 89 Ca -0.01 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 1v8o n THR 89 Cb 0.60 -1.43 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 1v8o n THR 89 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1v8o h PHE 90 N -2.03 0.92 0.55 4.78 3.57 -1.95 -2.12 116.94 120.67 1v8o h PHE 90 Ca -0.36 -0.46 -0.03 0.00 3.53 0.00 0.00 57.97 60.65 1v8o h PHE 90 Cb 1.04 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1v8o h PHE 90 CO 0.00 1.28 -0.27 1.88 -2.23 0.00 0.00 178.31 178.98 1v8o h TYR 91 N 0.40 -0.69 -0.83 0.41 0.05 -1.99 -1.15 116.97 113.17 1v8o h TYR 91 Ca -0.08 -0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.79 1v8o h TYR 91 Cb 1.54 0.23 -0.08 0.00 1.01 0.00 0.00 36.73 39.42 1v8o h TYR 91 CO 0.08 -0.37 0.45 -0.44 -1.05 0.00 0.00 178.16 176.83 1v8o h ASP 92 N -0.91 0.60 -0.89 3.88 3.45 -1.94 -0.08 116.42 120.53 1v8o h ASP 92 Ca -0.08 0.07 0.06 0.00 0.43 0.00 0.00 57.03 57.51 1v8o h ASP 92 Cb 0.63 -0.04 -0.06 0.00 -0.56 0.00 0.00 39.33 39.29 1v8o h ASP 92 CO 0.12 0.31 0.56 0.00 -1.57 0.00 0.00 179.24 178.67 1v8o h ALA 93 N 1.49 1.23 -0.44 3.45 0.00 -1.21 -2.15 119.26 121.63 1v8o h ALA 93 Ca 0.42 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.40 1v8o h ALA 93 Cb 0.47 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1v8o h ALA 93 CO -0.29 0.32 -0.09 0.77 0.00 0.00 0.00 179.25 179.96 1v8o h SER 94 N 1.02 -0.36 -0.33 0.00 0.02 0.29 0.25 113.55 114.44 1v8o h SER 94 Ca 0.39 0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.43 1v8o h SER 94 Cb 0.16 0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1v8o h SER 94 CO -0.17 -0.13 0.10 1.88 -1.14 0.00 0.00 176.83 177.37 1v8o h TYR 95 N 0.02 0.54 -0.78 3.45 -1.99 -1.28 -0.36 116.97 116.57 1v8o h TYR 95 Ca 0.21 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1v8o h TYR 95 Cb 0.32 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 1v8o h TYR 95 CO -0.36 0.54 0.49 0.00 -0.00 0.00 0.00 178.16 178.83 1v8o h ALA 96 N 0.94 0.99 0.53 3.88 0.00 -0.83 0.86 119.26 125.62 1v8o h ALA 96 Ca 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1v8o h ALA 96 Cb 0.26 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1v8o h ALA 96 CO -0.00 0.43 -0.25 -0.92 0.00 0.00 0.00 179.25 178.50 1v8o h TYR 97 N 1.06 -0.66 -0.63 0.00 3.20 -0.24 -0.98 116.97 118.72 1v8o h TYR 97 Ca 0.28 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.25 1v8o h TYR 97 Cb -0.08 0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 1v8o h TYR 97 CO -0.01 -0.41 0.19 0.28 -1.64 0.00 0.00 178.16 176.57 1v8o h VAL 98 N -0.87 0.69 0.29 1.81 2.07 -1.06 0.48 116.25 119.65 1v8o h VAL 98 Ca -0.07 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1v8o h VAL 98 Cb 0.54 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1v8o h VAL 98 CO 0.12 0.06 -0.37 0.00 0.02 0.00 0.00 177.57 177.41 1v8o h ALA 99 N 1.47 -0.74 0.54 1.67 0.00 -0.81 0.11 119.26 121.49 1v8o h ALA 99 Ca 0.33 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1v8o h ALA 99 Cb 0.46 0.55 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1v8o h ALA 99 CO -0.37 -0.96 -0.26 0.93 0.00 0.00 0.00 179.25 178.59 1v8o h GLU 100 N -0.71 -0.69 -0.43 0.00 5.08 -0.55 -0.97 114.58 116.31 1v8o h GLU 100 Ca -0.01 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.52 1v8o h GLU 100 Cb 0.66 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1v8o h GLU 100 CO -0.11 -0.39 0.33 0.66 -1.00 0.00 0.00 179.01 178.49 1v8o h SER 101 N -0.91 0.00 0.06 1.42 4.64 -0.05 0.12 113.55 118.83 1v8o h SER 101 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1v8o h SER 101 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1v8o h SER 101 CO 0.12 0.00 -0.10 -1.20 -0.87 0.00 0.00 176.83 174.79 1v8o n SER 102 N -4.30 1.49 -2.95 4.97 7.64 0.37 -4.96 113.62 115.87 1v8o n SER 102 Ca 0.07 -1.35 -0.13 0.00 1.01 0.00 0.00 58.87 58.48 1v8o n SER 102 Cb 0.52 0.06 0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1v8o n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v8o n GLY 103 N 1.25 -0.67 3.19 0.23 0.00 0.41 -5.04 105.19 104.56 1v8o n GLY 103 Ca 0.16 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.41 1v8o n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v8o s LEU 104 N -5.09 1.84 -0.28 0.99 1.43 -0.41 -5.02 118.68 112.14 1v8o s LEU 104 Ca 0.30 -1.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 1v8o s LEU 104 Cb -0.04 0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.33 1v8o s LEU 104 CO 0.60 -0.69 0.40 -0.69 0.23 0.00 0.00 176.35 176.21 1v8o s VAL 105 N -3.91 5.14 -0.07 -1.59 1.01 -0.74 -4.46 120.40 115.77 1v8o s VAL 105 Ca 0.26 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 1v8o s VAL 105 Cb 0.07 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1v8o s VAL 105 CO 0.04 0.09 1.03 -0.22 0.00 0.00 0.00 175.10 176.04 1v8o s LEU 106 N 2.13 4.28 -0.35 3.92 0.20 -1.26 -1.58 118.68 126.02 1v8o s LEU 106 Ca 0.16 1.62 -0.11 0.00 0.69 0.00 0.00 54.13 56.48 1v8o s LEU 106 Cb -0.16 -3.56 0.01 0.00 -0.43 0.00 0.00 46.19 42.05 1v8o s LEU 106 CO 0.10 -0.42 0.20 -0.69 -0.29 0.00 0.00 176.35 175.25 1v8o s VAL 107 N 1.76 4.74 0.04 1.68 1.01 0.26 -1.74 120.40 128.15 1v8o s VAL 107 Ca 0.51 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1v8o s VAL 107 Cb -0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1v8o s VAL 107 CO 0.21 -0.09 0.05 0.28 0.00 0.00 0.00 175.10 175.56 1v8o s THR 108 N 1.61 0.15 -0.76 3.92 -1.32 -0.85 -2.05 115.64 116.34 1v8o s THR 108 Ca 0.04 -1.23 0.22 0.00 -1.21 0.00 0.00 61.69 59.51 1v8o s THR 108 Cb -0.18 -0.94 -0.23 0.00 -1.51 0.00 0.00 72.50 69.63 1v8o s THR 108 CO 0.07 -0.68 0.85 1.67 -2.21 0.00 0.00 174.62 174.32 1v8o n GLN 109 N 0.73 0.16 -2.30 7.08 -0.06 -1.26 -3.97 117.38 117.76 1v8o n GLN 109 Ca -0.19 -0.04 -0.43 0.00 -2.00 0.00 0.00 57.00 54.34 1v8o n GLN 109 Cb 0.59 -1.51 -0.02 0.00 -4.06 0.00 0.00 30.24 25.23 1v8o n GLN 109 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1v8o s ASP 110 N -3.40 6.59 0.31 1.69 -1.08 -1.26 -4.91 116.67 114.60 1v8o s ASP 110 Ca 0.04 1.43 0.02 0.00 -0.52 0.00 0.00 52.55 53.52 1v8o s ASP 110 Cb 0.15 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 39.66 1v8o s ASP 110 CO 0.86 -1.11 1.89 0.03 0.52 0.00 0.00 175.17 177.36 1v8o h ARG 111 N 9.73 0.94 0.01 4.34 -0.00 -1.99 -0.31 114.38 127.10 1v8o h ARG 111 Ca -0.29 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.13 1v8o h ARG 111 Cb 1.12 -0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.88 1v8o h ARG 111 CO 1.01 0.62 -0.01 1.49 0.00 0.00 0.00 179.97 183.09 1v8o h GLU 112 N 0.97 -0.01 -0.51 0.04 4.57 -1.99 -1.34 114.58 116.30 1v8o h GLU 112 Ca 0.42 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.55 1v8o h GLU 112 Cb 0.35 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1v8o h GLU 112 CO -0.18 0.15 0.08 -0.07 -1.18 0.00 0.00 179.01 177.81 1v8o h LEU 113 N -0.18 0.75 -0.62 1.64 3.38 -1.88 -0.92 115.31 117.49 1v8o h LEU 113 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1v8o h LEU 113 Cb 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1v8o h LEU 113 CO 0.00 0.77 0.33 0.25 0.09 0.00 0.00 178.44 179.88 1v8o h LEU 114 N 0.76 0.78 -0.56 1.67 6.46 -0.91 -2.07 115.31 121.44 1v8o h LEU 114 Ca 0.16 -0.10 -0.14 0.00 -0.12 0.00 0.00 57.88 57.67 1v8o h LEU 114 Cb 0.35 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1v8o h LEU 114 CO 0.01 0.66 -0.41 0.00 -0.62 0.00 0.00 178.44 178.08 1v8o h ALA 115 N 1.15 0.74 -0.56 1.25 0.00 -0.66 -3.26 119.26 117.92 1v8o h ALA 115 Ca 0.22 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1v8o h ALA 115 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1v8o h ALA 115 CO -0.03 0.66 0.00 1.63 0.00 0.00 0.00 179.25 181.51 1v8o n LYS 116 N -4.03 3.58 -4.35 0.00 5.02 -0.40 -4.89 118.16 113.09 1v8o n LYS 116 Ca -0.02 -2.54 -0.26 0.00 -2.02 0.00 0.00 58.31 53.46 1v8o n LYS 116 Cb 0.54 -1.89 -0.17 0.00 -0.02 0.00 0.00 35.03 33.49 1v8o n LYS 116 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v8o s THR 117 N -1.94 1.21 -0.35 -0.18 2.01 -0.80 -5.02 115.64 110.58 1v8o s THR 117 Ca 0.45 -0.47 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 1v8o s THR 117 Cb 0.30 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 1v8o s THR 117 CO 0.20 0.38 2.22 -0.54 -0.69 0.00 0.00 174.62 176.20 1v8o s LYS 118 N 1.06 2.76 0.00 4.92 1.02 -1.26 -2.61 119.74 125.63 1v8o s LYS 118 Ca -0.07 1.67 0.00 0.00 0.02 0.00 0.00 55.97 57.59 1v8o s LYS 118 Cb -0.15 -4.43 0.00 0.00 -0.52 0.00 0.00 37.83 32.73 1v8o s LYS 118 CO -0.01 -2.53 0.00 0.41 -0.92 0.00 0.00 175.35 172.29 1v8o n GLY 119 N 5.81 0.72 3.73 -3.33 0.00 -1.26 -4.81 105.19 106.05 1v8o n GLY 119 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1v8o n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v8o s ALA 120 N -2.43 2.26 0.09 4.61 0.00 -1.07 -4.42 121.76 120.80 1v8o s ALA 120 Ca 0.00 0.97 -0.03 0.00 0.00 0.00 0.00 51.96 52.90 1v8o s ALA 120 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 1v8o s ALA 120 CO 0.00 -1.68 0.07 0.96 0.00 0.00 0.00 175.76 175.11 1v8o s ILE 121 N -1.79 0.15 0.62 0.00 -4.36 -0.71 -4.95 121.20 110.16 1v8o s ILE 121 Ca 0.77 -1.67 0.05 0.00 -0.26 0.00 0.00 60.65 59.54 1v8o s ILE 121 Cb -0.31 -1.67 0.11 0.00 1.25 0.00 0.00 42.46 41.84 1v8o s ILE 121 CO 0.42 -0.70 0.85 -0.90 0.24 0.00 0.00 174.94 174.85 1v8o n ASP 122 N -0.02 1.68 -0.10 4.36 5.75 -1.25 -2.01 116.55 124.96 1v8o n ASP 122 Ca -0.11 -2.29 0.01 0.00 -0.01 0.00 0.00 54.79 52.38 1v8o n ASP 122 Cb 0.62 -0.50 0.30 0.00 -1.03 0.00 0.00 41.12 40.51 1v8o n ASP 122 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1v8o h VAL 123 N -0.23 1.17 -0.25 2.12 2.07 -1.93 -2.24 116.25 116.95 1v8o h VAL 123 Ca -0.28 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1v8o h VAL 123 Cb 1.18 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1v8o h VAL 123 CO 0.36 0.20 0.01 1.05 0.02 0.00 0.00 177.57 179.20 1v8o h GLU 124 N 0.75 0.44 -0.56 1.57 4.11 -1.96 -2.19 114.58 116.74 1v8o h GLU 124 Ca 0.19 -0.14 0.08 0.00 0.07 0.00 0.00 59.36 59.57 1v8o h GLU 124 Cb 0.05 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.20 1v8o h GLU 124 CO -0.03 0.61 0.20 1.15 0.07 0.00 0.00 179.01 181.01 1v8o h THR 125 N 0.23 0.78 -0.69 -1.06 2.02 -1.87 -1.88 112.91 110.45 1v8o h THR 125 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1v8o h THR 125 Cb 0.40 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1v8o h THR 125 CO 0.01 0.07 0.44 0.25 0.37 0.00 0.00 175.52 176.66 1v8o h LEU 126 N 0.37 0.81 -1.61 2.58 5.85 -1.21 -1.94 115.31 120.16 1v8o h LEU 126 Ca 0.28 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1v8o h LEU 126 Cb 0.33 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1v8o h LEU 126 CO -0.29 0.61 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.14 1v8o h LEU 127 N 0.93 0.00 0.13 2.25 3.38 -0.71 -0.52 115.31 120.77 1v8o h LEU 127 Ca 0.25 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.93 1v8o h LEU 127 Cb -0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1v8o h LEU 127 CO -0.05 0.21 -1.27 -0.37 0.09 0.00 0.00 178.44 177.05 1v8o h VAL 128 N 0.00 1.43 -0.57 1.22 -1.51 -1.03 -2.17 116.25 113.62 1v8o h VAL 128 Ca -0.00 -2.88 -0.02 0.00 -1.23 0.00 0.00 66.70 62.57 1v8o h VAL 128 Cb 0.39 2.90 -0.03 0.00 -2.13 0.00 0.00 31.29 32.43 1v8o h VAL 128 CO 0.03 0.85 0.27 0.03 -1.23 0.00 0.00 177.57 177.52 1v8o h ARG 129 N 0.12 0.81 -0.53 5.19 3.08 -0.86 -2.72 114.38 119.47 1v8o h ARG 129 Ca -0.16 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.68 1v8o h ARG 129 Cb 1.98 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 1v8o h ARG 129 CO 0.22 0.66 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.69 1v8o h LEU 130 N 0.77 0.94 -1.05 3.04 3.38 -1.15 -2.13 115.31 119.12 1v8o h LEU 130 Ca 0.19 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1v8o h LEU 130 Cb 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1v8o h LEU 130 CO -0.02 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.54 1v8o n ALA 131 N -2.46 1.03 0.15 1.53 0.00 -0.82 -0.28 120.51 119.66 1v8o n ALA 131 Ca 0.01 0.15 0.10 0.00 0.00 0.00 0.00 53.44 53.70 1v8o n ALA 131 Cb 0.35 -1.23 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 1v8o n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v8o n ALA 132 N -1.70 3.06 1.55 0.00 0.00 -0.85 -5.09 120.51 117.48 1v8o n ALA 132 Ca -0.01 -0.49 0.14 0.00 0.00 0.00 0.00 53.44 53.08 1v8o n ALA 132 Cb 0.03 -0.69 0.57 0.00 0.00 0.00 0.00 19.45 19.35 1v8o n ALA 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54