#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qvg s VAL 8 N 0.00 5.10 -0.12 0.58 1.01 -1.26 -4.72 120.40 120.99 2qvg s VAL 8 Ca 0.00 1.03 -0.14 0.00 0.00 0.00 0.00 61.98 62.87 2qvg s VAL 8 Cb 0.00 -3.84 -0.26 0.00 0.00 0.00 0.00 36.38 32.28 2qvg s VAL 8 CO 0.00 0.37 0.46 0.44 0.00 0.00 0.00 175.10 176.37 2qvg h ASP 9 N 6.27 0.34 -3.73 3.32 3.32 -1.33 -3.20 116.42 121.41 2qvg h ASP 9 Ca -0.43 -0.83 -0.41 0.00 0.02 0.00 0.00 57.03 55.38 2qvg h ASP 9 Cb 1.19 -0.11 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 2qvg h ASP 9 CO 0.73 1.67 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.51 2qvg s ILE 10 N -2.48 0.67 -0.30 0.35 1.01 -0.72 -1.75 121.20 117.98 2qvg s ILE 10 Ca -0.22 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.09 2qvg s ILE 10 Cb 0.05 -0.61 0.02 0.00 0.01 0.00 0.00 42.46 41.93 2qvg s ILE 10 CO 0.74 0.22 0.07 -0.22 0.00 0.00 0.00 174.94 175.75 2qvg s LEU 11 N 0.34 3.85 -0.30 2.97 2.96 -0.29 -0.76 118.68 127.45 2qvg s LEU 11 Ca -0.05 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 52.94 2qvg s LEU 11 Cb -0.09 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2qvg s LEU 11 CO 0.00 -0.21 0.15 -0.47 -1.32 0.00 0.00 176.35 174.50 2qvg s TYR 12 N 1.45 3.17 -0.51 5.38 6.04 0.16 -0.90 117.35 132.15 2qvg s TYR 12 Ca 0.01 -0.50 -0.22 0.00 0.04 0.00 0.00 57.07 56.40 2qvg s TYR 12 Cb -0.18 -2.34 0.04 0.00 -1.04 0.00 0.00 41.96 38.44 2qvg s TYR 12 CO 0.02 -0.42 0.79 -0.51 -1.54 0.00 0.00 175.55 173.88 2qvg s LEU 13 N 1.62 4.44 -0.25 6.97 1.02 0.03 -1.19 118.68 131.33 2qvg s LEU 13 Ca 0.05 -0.49 -0.25 0.00 0.02 0.00 0.00 54.13 53.46 2qvg s LEU 13 Cb -0.17 -2.72 0.07 0.00 0.02 0.00 0.00 46.19 43.39 2qvg s LEU 13 CO 0.06 -1.03 0.71 -0.70 0.02 0.00 0.00 176.35 175.41 2qvg s GLU 14 N 3.32 0.85 0.00 1.70 2.56 -0.28 -2.25 118.70 124.59 2qvg s GLU 14 Ca 0.25 0.93 0.00 0.00 0.00 0.00 0.00 54.97 56.15 2qvg s GLU 14 Cb -0.15 0.41 0.00 0.00 2.00 0.00 0.00 34.13 36.40 2qvg s GLU 14 CO 0.17 -0.12 0.69 -0.40 -0.56 0.00 0.00 175.26 175.04 2qvg n ASP 15 N 2.56 1.33 -4.58 -1.70 5.75 -1.26 -4.02 116.55 114.62 2qvg n ASP 15 Ca -0.14 -1.42 -0.41 0.00 -0.01 0.00 0.00 54.79 52.80 2qvg n ASP 15 Cb 0.55 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 2qvg n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2qvg s ASP 16 N -0.42 6.45 0.52 -1.12 3.68 -1.26 -4.94 116.67 119.57 2qvg s ASP 16 Ca 0.00 0.25 0.19 0.00 2.13 0.00 0.00 52.55 55.12 2qvg s ASP 16 Cb 0.00 -2.32 1.34 0.00 -1.45 0.00 0.00 42.92 40.49 2qvg s ASP 16 CO 0.00 -0.54 2.14 -0.33 0.13 0.00 0.00 175.17 176.58 2qvg h GLU 17 N 8.35 0.00 -0.05 4.34 4.39 -1.99 -1.20 114.58 128.42 2qvg h GLU 17 Ca -0.27 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.22 2qvg h GLU 17 Cb 1.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 2qvg h GLU 17 CO 0.82 0.03 -0.82 0.28 -1.16 0.00 0.00 179.01 178.16 2qvg h VAL 18 N 0.00 1.32 -0.93 3.13 2.07 -1.99 -2.42 116.25 117.43 2qvg h VAL 18 Ca -0.00 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.43 2qvg h VAL 18 Cb 0.06 2.32 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2qvg h VAL 18 CO 0.00 0.64 0.60 0.44 0.02 0.00 0.00 177.57 179.28 2qvg h ASP 19 N 0.28 1.08 -0.05 0.57 3.32 -1.83 0.10 116.42 119.89 2qvg h ASP 19 Ca -0.09 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2qvg h ASP 19 Cb 1.48 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 2qvg h ASP 19 CO 0.16 0.79 0.02 0.40 -1.72 0.00 0.00 179.24 178.90 2qvg h ILE 20 N 1.26 1.11 -0.70 0.35 2.04 -1.20 -0.88 117.51 119.49 2qvg h ILE 20 Ca 0.34 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.81 2qvg h ILE 20 Cb -0.13 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 2qvg h ILE 20 CO -0.07 0.09 0.15 1.56 0.00 0.00 0.00 178.15 179.88 2qvg h GLN 21 N -0.05 1.12 -0.14 2.37 1.08 -1.04 -1.83 115.11 116.61 2qvg h GLN 21 Ca 0.02 -0.28 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 2qvg h GLN 21 Cb 0.13 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.41 2qvg h GLN 21 CO -0.00 1.00 0.05 0.77 -0.95 0.00 0.00 178.83 179.69 2qvg h SER 22 N 1.06 0.21 -0.54 1.46 0.02 -0.64 -0.63 113.55 114.48 2qvg h SER 22 Ca 0.22 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2qvg h SER 22 Cb 0.39 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2qvg h SER 22 CO 0.01 0.35 0.06 0.58 -1.14 0.00 0.00 176.83 176.68 2qvg h VAL 23 N 0.06 1.26 -0.52 2.27 2.07 -1.13 -1.51 116.25 118.74 2qvg h VAL 23 Ca 0.05 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.49 2qvg h VAL 23 Cb 0.21 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2qvg h VAL 23 CO -0.00 0.37 0.07 -0.33 0.02 0.00 0.00 177.57 177.70 2qvg h GLU 24 N 0.81 0.83 -0.39 1.57 5.08 -1.25 -2.30 114.58 118.92 2qvg h GLU 24 Ca 0.16 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2qvg h GLU 24 Cb 0.46 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qvg h GLU 24 CO 0.02 0.79 -0.17 -0.09 -1.00 0.00 0.00 179.01 178.55 2qvg h ARG 25 N 0.79 0.81 -0.33 2.33 2.43 -0.85 0.64 114.38 120.21 2qvg h ARG 25 Ca 0.16 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2qvg h ARG 25 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2qvg h ARG 25 CO 0.01 0.97 0.19 0.28 -1.51 0.00 0.00 179.97 179.91 2qvg h VAL 26 N 0.62 1.13 -0.22 0.20 2.07 -1.12 -1.82 116.25 117.11 2qvg h VAL 26 Ca 0.09 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.15 2qvg h VAL 26 Cb 0.72 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2qvg h VAL 26 CO 0.05 0.13 -0.43 -0.26 0.02 0.00 0.00 177.57 177.09 2qvg h PHE 27 N 0.42 0.63 -0.33 1.57 0.04 -1.37 -3.04 116.94 114.86 2qvg h PHE 27 Ca 0.12 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 2qvg h PHE 27 Cb 0.04 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2qvg h PHE 27 CO -0.03 0.87 0.11 1.25 -0.60 0.00 0.00 178.31 179.90 2qvg h HIS 28 N 0.43 0.46 0.00 -0.55 2.76 -0.53 -0.05 115.15 117.67 2qvg h HIS 28 Ca 0.03 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 2qvg h HIS 28 Cb 0.92 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 2qvg h HIS 28 CO 0.03 0.38 -0.10 0.87 -1.30 0.00 0.00 177.93 177.81 2qvg h LYS 29 N 0.46 0.00 0.08 5.26 1.57 -1.22 -2.91 116.57 119.82 2qvg h LYS 29 Ca 0.11 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.66 2qvg h LYS 29 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2qvg h LYS 29 CO -0.01 0.10 -1.21 0.82 -0.57 0.00 0.00 179.45 178.59 2qvg h ILE 30 N 0.00 1.11 -1.81 1.86 2.04 -1.25 -3.48 117.51 115.97 2qvg h ILE 30 Ca -0.00 -2.36 0.03 0.00 1.00 0.00 0.00 64.86 63.53 2qvg h ILE 30 Cb 0.53 2.71 -0.23 0.00 -0.74 0.00 0.00 36.82 39.09 2qvg h ILE 30 CO 0.01 0.62 0.23 -0.55 0.00 0.00 0.00 178.15 178.46 2qvg s SER 31 N -6.90 -0.69 0.00 1.72 0.15 -0.16 -5.00 113.70 102.82 2qvg s SER 31 Ca -0.21 1.21 0.31 0.00 0.70 0.00 0.00 55.95 57.95 2qvg s SER 31 Cb 0.04 1.25 1.61 0.00 -1.71 0.00 0.00 66.02 67.21 2qvg s SER 31 CO 0.73 -0.20 2.08 -1.54 1.20 0.00 0.00 173.24 175.50 2qvg n SER 32 N 3.22 0.15 -0.95 5.45 3.41 -1.24 -3.28 113.62 120.39 2qvg n SER 32 Ca -0.16 -0.63 0.12 0.00 -0.26 0.00 0.00 58.87 57.94 2qvg n SER 32 Cb 0.57 -0.12 0.16 0.00 -0.26 0.00 0.00 64.21 64.56 2qvg n SER 32 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qvg n LEU 33 N -1.04 2.95 -4.60 1.04 4.77 -1.26 -4.82 117.00 114.03 2qvg n LEU 33 Ca 0.18 -1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 54.69 2qvg n LEU 33 Cb 0.20 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2qvg n LEU 33 CO 0.21 0.53 0.84 -0.63 -1.33 0.00 0.00 177.39 177.01 2qvg s ILE 34 N -1.90 4.48 -0.34 -0.08 1.01 -1.20 -4.99 121.20 118.19 2qvg s ILE 34 Ca 0.31 1.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.97 2qvg s ILE 34 Cb 0.21 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2qvg s ILE 34 CO 0.31 -0.66 0.70 -0.54 0.00 0.00 0.00 174.94 174.75 2qvg s LYS 35 N 3.73 3.79 -0.14 2.79 1.02 -1.26 -4.95 119.74 124.72 2qvg s LYS 35 Ca 0.41 0.26 -0.01 0.00 0.02 0.00 0.00 55.97 56.65 2qvg s LYS 35 Cb -0.11 -3.78 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 2qvg s LYS 35 CO 0.22 -0.73 -0.10 0.42 -0.92 0.00 0.00 175.35 174.24 2qvg s ILE 36 N 2.84 3.25 -0.01 2.17 1.01 -1.26 -0.87 121.20 128.33 2qvg s ILE 36 Ca 0.28 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.37 2qvg s ILE 36 Cb -0.14 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 2qvg s ILE 36 CO 0.14 0.51 -0.06 -0.70 0.00 0.00 0.00 174.94 174.83 2qvg s GLU 37 N 0.42 2.60 -0.15 2.79 2.56 0.06 -4.99 118.70 122.00 2qvg s GLU 37 Ca -0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 54.97 54.18 2qvg s GLU 37 Cb -0.15 -2.53 -0.03 0.00 2.00 0.00 0.00 34.13 33.42 2qvg s GLU 37 CO 0.04 0.62 -0.05 0.42 -0.56 0.00 0.00 175.26 175.73 2qvg s ILE 38 N -0.96 3.76 -0.14 -3.70 -1.09 -1.26 -0.66 121.20 117.14 2qvg s ILE 38 Ca 0.16 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.18 2qvg s ILE 38 Cb -0.11 -2.63 -0.00 0.00 -1.58 0.00 0.00 42.46 38.13 2qvg s ILE 38 CO 0.06 0.50 -0.16 0.00 -1.23 0.00 0.00 174.94 174.11 2qvg s ALA 39 N 0.29 2.46 -1.92 9.38 0.00 -0.33 -4.96 121.76 126.68 2qvg s ALA 39 Ca -0.04 -1.02 0.18 0.00 0.00 0.00 0.00 51.96 51.08 2qvg s ALA 39 Cb -0.14 -1.16 0.53 0.00 0.00 0.00 0.00 23.12 22.35 2qvg s ALA 39 CO 0.03 0.04 1.44 1.63 0.00 0.00 0.00 175.76 178.90 2qvg n LYS 40 N 3.93 2.46 -3.55 0.00 5.02 -1.26 -1.13 118.16 123.64 2qvg n LYS 40 Ca -0.19 -2.15 -0.08 0.00 -2.02 0.00 0.00 58.31 53.87 2qvg n LYS 40 Cb 0.52 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.02 2qvg n LYS 40 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qvg s SER 41 N -0.98 -0.36 0.24 4.39 1.04 -1.26 -4.56 113.70 112.21 2qvg s SER 41 Ca 0.40 -0.10 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 2qvg s SER 41 Cb 0.21 0.45 0.25 0.00 0.10 0.00 0.00 66.02 67.03 2qvg s SER 41 CO 0.26 -0.75 1.74 1.23 0.98 0.00 0.00 173.24 176.70 2qvg h GLY 42 N 2.00 1.01 0.75 7.32 0.00 -1.92 -1.95 103.07 110.28 2qvg h GLY 42 Ca -0.24 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.48 2qvg h GLY 42 CO 0.31 0.61 0.27 3.43 0.00 0.00 0.00 176.54 181.15 2qvg h ASN 43 N 0.88 0.40 -0.14 0.19 -0.26 -1.98 -1.54 115.58 113.12 2qvg h ASN 43 Ca 0.18 0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.82 2qvg h ASN 43 Cb 0.42 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2qvg h ASN 43 CO 0.01 0.27 -0.33 -0.61 -1.06 0.00 0.00 177.43 175.72 2qvg h GLN 44 N 0.52 0.64 -0.44 0.81 4.15 -1.91 -1.14 115.11 117.75 2qvg h GLN 44 Ca 0.22 -0.29 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2qvg h GLN 44 Cb 0.12 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2qvg h GLN 44 CO -0.15 0.88 0.28 0.00 -1.93 0.00 0.00 178.83 177.92 2qvg h ALA 45 N 1.10 0.56 -0.62 3.38 0.00 -0.87 -2.38 119.26 120.43 2qvg h ALA 45 Ca 0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2qvg h ALA 45 Cb 0.83 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2qvg h ALA 45 CO 0.07 0.03 0.05 -0.07 0.00 0.00 0.00 179.25 179.32 2qvg h LEU 46 N 0.59 1.01 -1.41 0.00 3.38 -1.12 -1.42 115.31 116.34 2qvg h LEU 46 Ca 0.16 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qvg h LEU 46 Cb -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.44 2qvg h LEU 46 CO -0.03 1.03 0.00 0.47 0.09 0.00 0.00 178.44 180.00 2qvg n ASP 47 N -4.20 0.00 0.00 -0.43 8.00 -0.45 -0.89 116.55 118.59 2qvg n ASP 47 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2qvg n ASP 47 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2qvg n ASP 47 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qvg n LEU 49 N 0.70 0.00 0.00 0.64 4.77 -0.54 -0.14 117.00 122.43 2qvg n LEU 49 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 2qvg n LEU 49 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 2qvg n LEU 49 CO 0.00 0.00 -0.18 -1.22 -1.33 0.00 0.00 177.39 174.66 2qvg n TYR 50 N 0.00 0.03 -2.80 -1.77 4.01 -0.07 -4.61 117.16 111.95 2qvg n TYR 50 Ca 0.00 0.01 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 2qvg n TYR 50 Cb 0.00 -0.17 0.05 0.00 -0.31 0.00 0.00 39.34 38.91 2qvg n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qvg n GLY 51 N 1.43 -0.03 3.43 2.72 0.00 0.81 -4.87 105.19 108.68 2qvg n GLY 51 Ca 0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2qvg n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qvg s ARG 52 N -4.74 1.80 -1.45 1.61 1.70 -0.48 -4.69 118.95 112.70 2qvg s ARG 52 Ca 0.01 -2.07 -0.06 0.00 -0.47 0.00 0.00 55.73 53.14 2qvg s ARG 52 Cb -0.00 -0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.09 2qvg s ARG 52 CO 0.42 -0.49 0.67 -1.71 -1.08 0.00 0.00 175.30 173.11 2qvg n ASN 53 N -1.22 -1.91 0.00 -2.89 5.15 -1.26 -1.17 115.26 111.96 2qvg n ASN 53 Ca -0.02 -0.91 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 2qvg n ASN 53 Cb 0.65 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.42 2qvg n ASN 53 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2qvg n LYS 54 N -4.42 -0.58 -3.70 1.20 5.02 -1.26 -5.01 118.16 109.41 2qvg n LYS 54 Ca -0.18 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 55.89 2qvg n LYS 54 Cb 0.62 -3.70 -0.06 0.00 -0.02 0.00 0.00 35.03 31.87 2qvg n LYS 54 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qvg s GLU 55 N -0.72 3.66 0.10 1.97 0.41 -0.31 -5.07 118.70 118.73 2qvg s GLU 55 Ca 0.00 0.11 -0.29 0.00 -0.41 0.00 0.00 54.97 54.38 2qvg s GLU 55 Cb 0.00 -3.18 -0.06 0.00 -1.78 0.00 0.00 34.13 29.11 2qvg s GLU 55 CO 0.00 0.72 0.91 -0.80 -0.49 0.00 0.00 175.26 175.60 2qvg s ASN 56 N -1.17 7.43 0.19 -0.19 0.02 -1.26 -3.25 114.94 116.71 2qvg s ASN 56 Ca 0.21 1.71 -0.32 0.00 -1.02 0.00 0.00 52.86 53.45 2qvg s ASN 56 Cb -0.14 -2.56 -0.11 0.00 0.02 0.00 0.00 41.25 38.46 2qvg s ASN 56 CO 0.10 -0.04 1.60 -0.75 0.02 0.00 0.00 177.10 178.03 2qvg s LYS 57 N -0.03 4.19 0.16 -0.60 2.20 -1.26 -4.69 119.74 119.70 2qvg s LYS 57 Ca 0.45 2.43 0.08 0.00 -0.36 0.00 0.00 55.97 58.57 2qvg s LYS 57 Cb -0.23 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 2qvg s LYS 57 CO 0.28 -0.63 -0.17 0.96 -0.36 0.00 0.00 175.35 175.42 2qvg s ILE 58 N 1.03 1.73 -0.58 5.43 -4.36 -1.26 -4.96 121.20 118.24 2qvg s ILE 58 Ca 0.70 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 59.25 2qvg s ILE 58 Cb -0.45 -1.79 0.17 0.00 1.25 0.00 0.00 42.46 41.63 2qvg s ILE 58 CO 0.33 -0.34 0.43 1.41 0.24 0.00 0.00 174.94 177.01 2qvg n HIS 59 N 0.33 1.44 -2.51 1.37 8.25 -1.26 -4.54 115.22 118.30 2qvg n HIS 59 Ca -0.13 -3.88 -0.35 0.00 -0.26 0.00 0.00 57.72 53.10 2qvg n HIS 59 Cb 0.57 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2qvg n HIS 59 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2qvg s PRO 60 N -0.82 3.82 0.07 -0.41 0.04 -1.25 -4.38 135.00 132.06 2qvg s PRO 60 Ca 0.29 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 2qvg s PRO 60 Cb -0.00 -2.18 -0.29 0.00 0.04 0.00 0.00 34.50 32.06 2qvg s PRO 60 CO -0.18 -0.43 1.12 0.87 0.04 0.00 0.00 177.00 178.42 2qvg h LYS 61 N 1.71 0.32 -5.14 4.56 1.57 -1.43 -3.45 116.57 114.71 2qvg h LYS 61 Ca -0.49 -0.54 -0.39 0.00 -1.87 0.00 0.00 60.65 57.36 2qvg h LYS 61 Cb 1.22 0.20 -0.23 0.00 0.08 0.00 0.00 32.23 33.51 2qvg h LYS 61 CO 0.59 1.26 -0.77 -0.51 -0.57 0.00 0.00 179.45 179.45 2qvg s LEU 62 N -7.22 2.23 -0.14 2.94 1.43 -0.72 -2.00 118.68 115.20 2qvg s LEU 62 Ca -0.05 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2qvg s LEU 62 Cb 0.07 -0.47 0.01 0.00 0.03 0.00 0.00 46.19 45.82 2qvg s LEU 62 CO 0.89 -0.06 -0.20 -0.63 0.23 0.00 0.00 176.35 176.58 2qvg s ILE 63 N -1.10 2.23 -0.26 -0.59 1.01 0.04 -1.14 121.20 121.38 2qvg s ILE 63 Ca -0.02 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.64 2qvg s ILE 63 Cb -0.09 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2qvg s ILE 63 CO 0.01 0.54 0.05 -0.22 0.00 0.00 0.00 174.94 175.33 2qvg s LEU 64 N 0.74 3.50 -0.23 2.97 2.96 -0.07 -1.16 118.68 127.39 2qvg s LEU 64 Ca -0.08 -0.43 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2qvg s LEU 64 Cb -0.16 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.67 2qvg s LEU 64 CO 0.00 -0.09 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.65 2qvg s LEU 65 N 1.55 2.96 -0.49 -0.68 2.96 -0.14 -0.79 118.68 124.05 2qvg s LEU 65 Ca 0.05 -0.67 -0.28 0.00 -0.22 0.00 0.00 54.13 53.01 2qvg s LEU 65 Cb -0.16 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 44.89 2qvg s LEU 65 CO 0.02 -0.07 1.09 -0.62 -1.32 0.00 0.00 176.35 175.45 2qvg s ASP 66 N 1.38 6.57 -0.05 3.68 -1.08 -0.96 -0.17 116.67 126.04 2qvg s ASP 66 Ca 0.03 0.32 0.11 0.00 -0.52 0.00 0.00 52.55 52.50 2qvg s ASP 66 Cb -0.15 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.20 2qvg s ASP 66 CO -0.05 -1.24 1.29 2.30 0.52 0.00 0.00 175.17 177.99 2qvg n ILE 67 N 6.73 0.96 -0.54 4.11 -5.35 -0.63 -3.97 119.36 120.67 2qvg n ILE 67 Ca 0.10 -0.67 0.08 0.00 -0.27 0.00 0.00 62.75 62.00 2qvg n ILE 67 Cb 0.49 0.05 0.35 0.00 -1.74 0.00 0.00 39.64 38.79 2qvg n ILE 67 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2qvg n ASN 68 N 0.63 4.72 -4.20 7.28 3.02 -1.26 -4.77 115.26 120.67 2qvg n ASN 68 Ca 0.15 -2.51 -0.41 0.00 -0.03 0.00 0.00 54.58 51.79 2qvg n ASN 68 Cb 0.53 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 39.04 2qvg n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qvg s ILE 69 N -1.99 4.40 0.36 2.41 1.01 -1.25 -4.96 121.20 121.17 2qvg s ILE 69 Ca 0.49 -2.33 0.14 0.00 0.00 0.00 0.00 60.65 58.95 2qvg s ILE 69 Cb 0.33 -3.83 0.35 0.00 0.01 0.00 0.00 42.46 39.32 2qvg s ILE 69 CO 0.22 -0.87 1.74 -0.65 0.00 0.00 0.00 174.94 175.38 2qvg h PRO 70 N 7.83 0.46 -2.29 2.79 0.11 -1.95 -3.40 132.00 135.55 2qvg h PRO 70 Ca -0.07 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.86 2qvg h PRO 70 Cb 1.03 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 2qvg h PRO 70 CO 0.79 0.31 -0.07 1.63 -0.21 0.00 0.00 178.00 180.44 2qvg n LYS 71 N -4.78 1.49 -3.24 1.05 5.02 -1.26 -5.01 118.16 111.43 2qvg n LYS 71 Ca 0.27 -0.75 -0.03 0.00 -2.02 0.00 0.00 58.31 55.77 2qvg n LYS 71 Cb 0.83 -1.88 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2qvg n LYS 71 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2qvg s ASN 73 N 2.29 -0.70 0.32 4.39 3.84 -1.26 -5.01 114.94 118.79 2qvg s ASN 73 Ca 0.49 -0.62 0.03 0.00 0.21 0.00 0.00 52.86 52.97 2qvg s ASN 73 Cb 0.23 1.57 0.53 0.00 -0.55 0.00 0.00 41.25 43.02 2qvg s ASN 73 CO -0.00 -0.25 1.83 1.23 -2.79 0.00 0.00 177.10 177.11 2qvg h GLY 74 N 7.47 0.59 0.97 1.21 0.00 -1.91 -2.48 103.07 108.91 2qvg h GLY 74 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 2qvg h GLY 74 CO 0.16 0.35 0.11 -2.22 0.00 0.00 0.00 176.54 174.94 2qvg h ILE 75 N 0.52 1.24 -0.50 2.60 2.04 -1.99 0.54 117.51 121.95 2qvg h ILE 75 Ca 0.10 -0.86 -0.09 0.00 1.00 0.00 0.00 64.86 65.01 2qvg h ILE 75 Cb 0.42 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2qvg h ILE 75 CO 0.02 0.31 -0.03 -0.33 0.00 0.00 0.00 178.15 178.12 2qvg h GLU 76 N 0.67 0.86 0.14 2.37 5.08 -1.96 0.52 114.58 122.26 2qvg h GLU 76 Ca 0.15 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2qvg h GLU 76 Cb 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qvg h GLU 76 CO 0.00 0.88 -0.07 0.35 -1.00 0.00 0.00 179.01 179.18 2qvg h PHE 77 N 0.80 -0.17 -0.57 4.33 3.57 -1.15 -2.08 116.94 121.66 2qvg h PHE 77 Ca 0.15 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2qvg h PHE 77 Cb 0.52 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2qvg h PHE 77 CO 0.03 0.01 0.29 -0.07 -2.23 0.00 0.00 178.31 176.34 2qvg h LEU 78 N -0.33 0.71 -0.42 0.59 3.38 -0.70 0.24 115.31 118.78 2qvg h LEU 78 Ca -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2qvg h LEU 78 Cb 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2qvg h LEU 78 CO 0.03 0.60 0.20 0.11 0.09 0.00 0.00 178.44 179.46 2qvg h LYS 79 N 0.80 0.62 -0.46 1.13 1.57 -0.74 -0.55 116.57 118.94 2qvg h LYS 79 Ca 0.20 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 2qvg h LYS 79 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2qvg h LYS 79 CO -0.03 0.54 -0.25 1.49 -0.57 0.00 0.00 179.45 180.63 2qvg h GLU 80 N 0.54 0.99 -0.30 3.15 4.81 -0.90 -2.77 114.58 120.11 2qvg h GLU 80 Ca 0.14 -0.45 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2qvg h GLU 80 Cb 0.13 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2qvg h GLU 80 CO -0.02 1.12 0.12 1.25 -0.73 0.00 0.00 179.01 180.75 2qvg h LEU 81 N 0.84 0.14 0.00 1.64 5.85 -0.72 -2.33 115.31 120.73 2qvg h LEU 81 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qvg h LEU 81 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2qvg h LEU 81 CO 0.07 0.12 0.00 0.54 -0.34 0.00 0.00 178.44 178.83 2qvg n ARG 82 N -5.01 0.21 0.00 1.25 5.12 -0.23 -2.57 116.66 115.43 2qvg n ARG 82 Ca -0.01 0.12 0.12 0.00 -1.93 0.00 0.00 57.85 56.15 2qvg n ARG 82 Cb 0.09 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.11 2qvg n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qvg n ASP 83 N -1.34 1.04 -4.30 0.55 8.00 -0.88 -4.77 116.55 114.85 2qvg n ASP 83 Ca 0.08 -0.82 -0.36 0.00 0.71 0.00 0.00 54.79 54.40 2qvg n ASP 83 Cb 0.18 0.33 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 2qvg n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qvg s ASP 84 N -2.70 4.69 0.29 -2.24 -1.08 -1.06 -4.99 116.67 109.59 2qvg s ASP 84 Ca 0.18 -0.64 0.22 0.00 -0.52 0.00 0.00 52.55 51.78 2qvg s ASP 84 Cb 0.18 -1.79 1.08 0.00 -1.46 0.00 0.00 42.92 40.94 2qvg s ASP 84 CO 0.62 -0.12 1.66 -1.54 0.52 0.00 0.00 175.17 176.31 2qvg n SER 85 N 4.80 0.58 0.29 -0.34 3.41 -1.26 -1.94 113.62 119.16 2qvg n SER 85 Ca -0.16 0.73 0.18 0.00 -0.26 0.00 0.00 58.87 59.36 2qvg n SER 85 Cb 0.49 -0.82 0.82 0.00 -0.26 0.00 0.00 64.21 64.44 2qvg n SER 85 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2qvg h SER 86 N 0.00 0.00 -0.41 4.04 0.02 -1.94 -2.96 113.55 112.31 2qvg h SER 86 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2qvg h SER 86 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2qvg h SER 86 CO 0.00 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.19 2qvg n PHE 87 N -3.11 0.54 -0.29 3.45 3.72 -0.82 -4.65 117.46 116.29 2qvg n PHE 87 Ca -0.00 -0.43 0.11 0.00 -0.05 0.00 0.00 57.45 57.07 2qvg n PHE 87 Cb 0.25 -0.02 0.35 0.00 -0.94 0.00 0.00 39.48 39.12 2qvg n PHE 87 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2qvg h THR 88 N 2.74 0.84 -0.00 4.37 2.02 -1.64 -1.73 112.91 119.51 2qvg h THR 88 Ca 0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 2qvg h THR 88 Cb 0.79 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 2qvg h THR 88 CO 0.00 0.14 -0.05 0.47 0.37 0.00 0.00 175.52 176.44 2qvg n ASP 89 N -4.58 0.26 -4.69 4.18 8.00 -1.26 -4.80 116.55 113.66 2qvg n ASP 89 Ca 0.18 -0.49 -0.42 0.00 0.71 0.00 0.00 54.79 54.77 2qvg n ASP 89 Cb 0.45 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 2qvg n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qvg s ILE 90 N -2.44 4.61 0.09 0.53 1.01 -0.65 -4.97 121.20 119.38 2qvg s ILE 90 Ca 0.31 1.89 -0.19 0.00 0.00 0.00 0.00 60.65 62.66 2qvg s ILE 90 Cb 0.20 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.39 2qvg s ILE 90 CO 0.45 0.02 0.59 -1.61 0.00 0.00 0.00 174.94 174.39 2qvg s GLU 91 N 1.95 4.22 -0.07 2.79 0.41 -0.85 -4.93 118.70 122.22 2qvg s GLU 91 Ca 0.51 0.76 0.05 0.00 -0.41 0.00 0.00 54.97 55.88 2qvg s GLU 91 Cb -0.21 -3.21 -0.01 0.00 -1.78 0.00 0.00 34.13 28.92 2qvg s GLU 91 CO 0.20 0.62 -0.24 0.08 -0.49 0.00 0.00 175.26 175.43 2qvg s VAL 92 N -1.15 2.14 -0.06 2.63 1.01 -1.26 -0.78 120.40 122.93 2qvg s VAL 92 Ca 0.30 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.30 2qvg s VAL 92 Cb -0.19 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 2qvg s VAL 92 CO 0.20 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.31 2qvg s PHE 93 N -0.11 2.00 -0.07 5.22 0.08 -0.31 -0.56 117.98 124.23 2qvg s PHE 93 Ca -0.05 -0.66 -0.07 0.00 0.12 0.00 0.00 56.93 56.27 2qvg s PHE 93 Cb -0.14 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2qvg s PHE 93 CO 0.04 -0.25 0.19 0.14 -0.10 0.00 0.00 175.22 175.25 2qvg s VAL 94 N 0.15 5.42 -0.11 -0.44 -7.23 -0.77 -0.97 120.40 116.45 2qvg s VAL 94 Ca -0.09 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2qvg s VAL 94 Cb -0.14 -3.48 -0.00 0.00 0.56 0.00 0.00 36.38 33.32 2qvg s VAL 94 CO 0.04 0.52 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.94 2qvg s LEU 95 N -1.31 2.32 0.11 1.32 2.96 0.76 -0.10 118.68 124.74 2qvg s LEU 95 Ca 0.20 -0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 53.46 2qvg s LEU 95 Cb -0.13 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.11 2qvg s LEU 95 CO 0.09 0.16 0.42 0.28 -1.32 0.00 0.00 176.35 175.98 2qvg s THR 96 N 0.37 0.06 -1.47 3.68 -1.32 -0.60 -1.60 115.64 114.76 2qvg s THR 96 Ca -0.15 -0.50 0.26 0.00 -1.21 0.00 0.00 61.69 60.08 2qvg s THR 96 Cb -0.17 -1.11 0.16 0.00 -1.51 0.00 0.00 72.50 69.87 2qvg s THR 96 CO 0.07 -0.28 1.49 0.00 -2.21 0.00 0.00 174.62 173.70 2qvg n ALA 97 N -0.07 3.29 -3.16 11.08 0.00 -1.26 -0.74 120.51 129.65 2qvg n ALA 97 Ca -0.17 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 52.91 2qvg n ALA 97 Cb 0.63 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 2qvg n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qvg s ALA 98 N -2.69 -2.28 -0.34 0.00 0.00 -1.26 -4.86 121.76 110.33 2qvg s ALA 98 Ca 0.19 1.36 -0.19 0.00 0.00 0.00 0.00 51.96 53.32 2qvg s ALA 98 Cb 0.19 -2.36 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 2qvg s ALA 98 CO 0.59 -1.61 0.58 -0.47 0.00 0.00 0.00 175.76 174.85 2qvg s TYR 99 N 2.83 3.18 0.45 0.00 5.04 -1.26 -5.04 117.35 122.54 2qvg s TYR 99 Ca 0.15 0.33 0.08 0.00 -2.44 0.00 0.00 57.07 55.18 2qvg s TYR 99 Cb -0.12 -3.01 -0.00 0.00 0.35 0.00 0.00 41.96 39.17 2qvg s TYR 99 CO -0.24 -0.55 0.43 0.95 -1.34 0.00 0.00 175.55 174.80 2qvg s THR 100 N 2.55 2.49 0.35 4.34 -4.23 -1.26 -5.00 115.64 114.88 2qvg s THR 100 Ca 0.22 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 2qvg s THR 100 Cb -0.15 -2.80 0.24 0.00 1.34 0.00 0.00 72.50 71.13 2qvg s THR 100 CO 0.14 0.00 1.98 0.28 -0.54 0.00 0.00 174.62 176.48 2qvg h SER 101 N 0.89 0.68 -0.54 3.99 0.02 -1.99 -1.08 113.55 115.53 2qvg h SER 101 Ca -0.40 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.49 2qvg h SER 101 Cb 1.27 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2qvg h SER 101 CO 0.55 0.54 0.24 0.50 -1.14 0.00 0.00 176.83 177.51 2qvg h LYS 102 N 0.79 0.79 -0.40 3.45 3.64 -2.00 -1.68 116.57 121.16 2qvg h LYS 102 Ca 0.21 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2qvg h LYS 102 Cb -0.01 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2qvg h LYS 102 CO -0.04 0.67 0.23 -0.44 -2.27 0.00 0.00 179.45 177.60 2qvg h ASP 103 N 0.72 0.50 -0.19 4.20 3.32 -1.71 -0.91 116.42 122.35 2qvg h ASP 103 Ca 0.18 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.20 2qvg h ASP 103 Cb 0.16 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.53 2qvg h ASP 103 CO -0.02 0.43 -0.14 0.50 -1.72 0.00 0.00 179.24 178.29 2qvg h LYS 104 N 0.53 -0.14 -0.76 3.56 3.64 -0.90 -1.35 116.57 121.15 2qvg h LYS 104 Ca 0.14 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2qvg h LYS 104 Cb 0.04 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2qvg h LYS 104 CO -0.02 -0.09 0.45 -0.07 -2.27 0.00 0.00 179.45 177.45 2qvg h LEU 105 N -0.14 0.92 -0.94 5.20 4.07 -1.06 -2.94 115.31 120.43 2qvg h LEU 105 Ca 0.11 -0.07 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 2qvg h LEU 105 Cb 0.31 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.80 2qvg h LEU 105 CO -0.27 0.73 -0.07 0.00 -1.08 0.00 0.00 178.44 177.74 2qvg h ALA 106 N 1.24 1.11 -0.01 1.53 0.00 -0.55 -3.18 119.26 119.40 2qvg h ALA 106 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qvg h ALA 106 Cb -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qvg h ALA 106 CO -0.05 0.56 -0.19 1.19 0.00 0.00 0.00 179.25 180.75 2qvg n PHE 107 N -4.19 0.00 -0.29 0.00 3.72 -0.57 -4.48 117.46 111.65 2qvg n PHE 107 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 2qvg n PHE 107 Cb 0.33 -0.06 0.25 0.00 -0.94 0.00 0.00 39.48 39.06 2qvg n PHE 107 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2qvg h GLU 108 N 1.93 0.46 -0.70 -1.08 4.57 -1.50 -2.08 114.58 116.18 2qvg h GLU 108 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2qvg h GLU 108 Cb 0.57 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2qvg h GLU 108 CO 0.00 0.31 0.00 -1.13 -1.18 0.00 0.00 179.01 177.01 2qvg n SER 109 N -4.98 3.94 -1.30 1.04 3.41 -1.26 -4.28 113.62 110.18 2qvg n SER 109 Ca 0.19 -2.03 0.11 0.00 -0.26 0.00 0.00 58.87 56.88 2qvg n SER 109 Cb 0.53 -0.48 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 2qvg n SER 109 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qvg n LEU 110 N 1.54 3.91 -3.65 1.04 4.77 -0.78 -4.99 117.00 118.83 2qvg n LEU 110 Ca 0.24 -2.02 -0.27 0.00 -0.03 0.00 0.00 56.01 53.92 2qvg n LEU 110 Cb 0.63 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2qvg n LEU 110 CO 0.17 0.96 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.93 2qvg n ASN 111 N 1.51 -5.50 -4.70 -1.43 5.15 -1.25 -4.96 115.26 104.07 2qvg n ASN 111 Ca 0.23 -0.90 -0.36 0.00 -0.60 0.00 0.00 54.58 52.95 2qvg n ASN 111 Cb 0.62 -3.19 -0.08 0.00 -0.53 0.00 0.00 39.78 36.59 2qvg n ASN 111 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2qvg s ILE 112 N -3.32 5.34 0.38 -1.44 -1.09 -1.26 -4.55 121.20 115.26 2qvg s ILE 112 Ca 0.33 0.35 0.13 0.00 -2.23 0.00 0.00 60.65 59.23 2qvg s ILE 112 Cb -0.12 -3.56 0.11 0.00 -1.58 0.00 0.00 42.46 37.30 2qvg s ILE 112 CO 0.86 0.37 1.85 -0.09 -1.23 0.00 0.00 174.94 176.71 2qvg h ARG 113 N 7.04 0.01 0.00 2.79 2.43 -1.20 -3.48 114.38 121.96 2qvg h ARG 113 Ca -0.39 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2qvg h ARG 113 Cb 1.16 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2qvg h ARG 113 CO 0.72 0.34 0.00 0.41 -1.51 0.00 0.00 179.97 179.94 2qvg n GLY 114 N -0.57 -0.35 3.38 2.80 0.00 -1.22 -5.05 105.19 104.18 2qvg n GLY 114 Ca -0.02 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.73 2qvg n GLY 114 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qvg s HIS 115 N -2.00 2.21 -0.02 1.61 -3.43 -1.26 -1.86 115.29 110.55 2qvg s HIS 115 Ca 0.00 -0.39 0.05 0.00 -0.80 0.00 0.00 55.06 53.93 2qvg s HIS 115 Cb 0.00 -1.19 -0.01 0.00 -1.43 0.00 0.00 32.58 29.95 2qvg s HIS 115 CO 0.00 0.34 -0.18 -0.51 -2.00 0.00 0.00 174.74 172.38 2qvg s LEU 116 N -2.12 2.02 -0.20 5.38 1.43 0.86 -4.92 118.68 121.12 2qvg s LEU 116 Ca 0.14 -0.34 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 2qvg s LEU 116 Cb -0.10 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2qvg s LEU 116 CO 0.06 0.22 0.20 -0.63 0.23 0.00 0.00 176.35 176.43 2qvg s ILE 117 N -0.36 5.35 0.56 -0.59 -1.09 -1.26 -1.56 121.20 122.25 2qvg s ILE 117 Ca 0.05 0.32 -0.21 0.00 -2.23 0.00 0.00 60.65 58.59 2qvg s ILE 117 Cb -0.08 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 2qvg s ILE 117 CO -0.00 0.38 1.29 -0.54 -1.23 0.00 0.00 174.94 174.84 2qvg s LYS 118 N 0.70 3.11 0.42 2.79 1.02 0.08 -4.30 119.74 123.56 2qvg s LYS 118 Ca 0.11 2.07 -0.18 0.00 0.02 0.00 0.00 55.97 57.99 2qvg s LYS 118 Cb -0.13 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 2qvg s LYS 118 CO 0.02 -1.16 0.90 -1.25 -0.92 0.00 0.00 175.35 172.94 2qvg s PRO 119 N -3.02 4.09 -0.81 -1.68 0.04 -1.26 -4.90 135.00 127.46 2qvg s PRO 119 Ca 0.73 0.94 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 2qvg s PRO 119 Cb -0.36 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 31.96 2qvg s PRO 119 CO 0.42 -0.04 1.40 -1.17 0.04 0.00 0.00 177.00 177.65 2qvg s LEU 120 N -3.36 3.26 0.00 -3.56 0.20 -1.26 -4.95 118.68 109.01 2qvg s LEU 120 Ca 0.59 -0.67 0.02 0.00 0.69 0.00 0.00 54.13 54.76 2qvg s LEU 120 Cb -0.10 -2.56 0.03 0.00 -0.43 0.00 0.00 46.19 43.14 2qvg s LEU 120 CO 0.19 -1.83 0.24 -0.90 -0.29 0.00 0.00 176.35 173.76 2qvg n ASP 121 N 9.70 0.52 -0.19 3.68 5.68 -1.26 -4.82 116.55 129.86 2qvg n ASP 121 Ca 0.14 -1.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.04 2qvg n ASP 121 Cb 0.50 -0.14 0.10 0.00 -1.14 0.00 0.00 41.12 40.44 2qvg n ASP 121 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2qvg h TYR 122 N -0.11 0.13 -0.63 2.11 3.20 -1.92 -0.48 116.97 119.28 2qvg h TYR 122 Ca -0.08 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.91 2qvg h TYR 122 Cb 0.34 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 2qvg h TYR 122 CO 0.00 -0.06 0.27 0.78 -1.64 0.00 0.00 178.16 177.51 2qvg h GLY 123 N 0.22 0.90 1.03 1.82 0.00 -1.98 0.63 103.07 105.70 2qvg h GLY 123 Ca 0.31 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.32 2qvg h GLY 123 CO -0.42 0.03 -0.47 0.83 0.00 0.00 0.00 176.54 176.50 2qvg h GLU 124 N 0.48 0.74 -0.49 4.80 5.08 -1.77 -2.98 114.58 120.44 2qvg h GLU 124 Ca 0.31 -0.48 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2qvg h GLU 124 Cb 0.34 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2qvg h GLU 124 CO -0.27 1.10 0.13 0.00 -1.00 0.00 0.00 179.01 178.96 2qvg h ALA 125 N 0.63 0.64 -0.08 3.43 0.00 -0.63 -2.10 119.26 121.15 2qvg h ALA 125 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2qvg h ALA 125 Cb 1.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2qvg h ALA 125 CO 0.10 0.33 -0.29 0.97 0.00 0.00 0.00 179.25 180.37 2qvg h ILE 126 N 0.67 1.24 -0.61 0.00 6.09 -0.96 0.89 117.51 124.83 2qvg h ILE 126 Ca 0.15 -1.13 -0.05 0.00 -1.37 0.00 0.00 64.86 62.46 2qvg h ILE 126 Cb 0.32 1.50 -0.03 0.00 0.47 0.00 0.00 36.82 39.08 2qvg h ILE 126 CO 0.00 0.34 0.19 0.50 -3.07 0.00 0.00 178.15 176.10 2qvg h LYS 127 N 0.14 0.94 -0.25 2.19 3.64 -1.31 -2.03 116.57 119.89 2qvg h LYS 127 Ca 0.02 -0.20 -0.13 0.00 -1.27 0.00 0.00 60.65 59.07 2qvg h LYS 127 Cb 0.58 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2qvg h LYS 127 CO 0.04 0.84 -0.38 -0.07 -2.27 0.00 0.00 179.45 177.61 2qvg h LEU 128 N 0.86 0.60 -0.72 5.20 3.38 -0.70 -2.67 115.31 121.27 2qvg h LEU 128 Ca 0.20 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2qvg h LEU 128 Cb 0.29 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 2qvg h LEU 128 CO -0.01 0.92 0.46 0.15 0.09 0.00 0.00 178.44 180.05 2qvg h PHE 129 N 0.47 0.87 0.00 1.13 3.57 -0.40 -0.55 116.94 122.03 2qvg h PHE 129 Ca 0.05 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 2qvg h PHE 129 Cb 0.87 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 2qvg h PHE 129 CO 0.03 0.52 -0.48 -1.49 -2.23 0.00 0.00 178.31 174.67 2qvg h TRP 130 N 0.92 0.00 -0.49 0.41 -0.00 -1.24 -1.78 115.95 113.77 2qvg h TRP 130 Ca 0.28 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 59.04 2qvg h TRP 130 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.10 2qvg h TRP 130 CO -0.03 0.48 -0.20 0.82 -0.00 0.00 0.00 178.44 179.51 2qvg h ILE 131 N 0.00 1.27 -0.54 1.49 2.04 -1.04 0.18 117.51 120.91 2qvg h ILE 131 Ca -0.00 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.50 2qvg h ILE 131 Cb 0.87 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2qvg h ILE 131 CO 0.06 0.47 0.34 -0.07 0.00 0.00 0.00 178.15 178.96 2qvg h LEU 132 N 0.87 0.56 0.18 1.44 3.38 -0.66 -2.93 115.31 118.16 2qvg h LEU 132 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2qvg h LEU 132 Cb 0.78 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2qvg h LEU 132 CO 0.06 0.40 -0.09 1.56 0.09 0.00 0.00 178.44 180.47 2qvg h GLN 133 N 0.68 -0.23 0.00 1.13 1.08 -1.01 -3.52 115.11 113.24 2qvg h GLN 133 Ca 0.21 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2qvg h GLN 133 Cb -0.02 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2qvg h GLN 133 CO -0.07 0.03 0.00 -1.13 -0.95 0.00 0.00 178.83 176.71