#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oge s LYS 2 N 0.00 4.31 0.08 0.03 2.20 -1.26 -4.94 119.74 120.15 1oge s LYS 2 Ca 0.00 1.80 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 1oge s LYS 2 Cb 0.00 -3.59 -0.18 0.00 -1.51 0.00 0.00 37.83 32.55 1oge s LYS 2 CO 0.00 -0.53 1.26 0.87 -0.36 0.00 0.00 175.35 176.59 1oge h LYS 3 N 7.73 0.70 -5.79 4.03 1.57 -2.05 -3.47 116.57 119.29 1oge h LYS 3 Ca -0.35 -0.60 -0.62 0.00 -1.87 0.00 0.00 60.65 57.22 1oge h LYS 3 Cb 1.16 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.48 1oge h LYS 3 CO 0.90 1.21 -0.61 -1.01 -0.57 0.00 0.00 179.45 179.36 1oge s HIS 4 N -3.65 2.50 0.00 -1.35 3.76 -1.26 -5.09 115.29 110.20 1oge s HIS 4 Ca -0.11 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.20 1oge s HIS 4 Cb 0.07 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 32.09 1oge s HIS 4 CO 0.88 0.46 0.00 0.41 -0.85 0.00 0.00 174.74 175.64 1oge n GLY 5 N -0.95 -2.76 3.76 -2.22 0.00 -1.26 -4.93 105.19 96.83 1oge n GLY 5 Ca -0.05 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 1oge n GLY 5 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1oge n ILE 6 N -0.48 2.68 0.03 -0.61 3.06 -1.26 -4.94 119.36 117.84 1oge n ILE 6 Ca 0.00 -0.50 -0.14 0.00 -2.50 0.00 0.00 62.75 59.61 1oge n ILE 6 Cb 0.00 -1.83 -0.04 0.00 0.54 0.00 0.00 39.64 38.31 1oge n ILE 6 CO 0.00 0.00 0.00 0.25 -2.50 0.00 0.00 176.55 174.30 1oge h LEU 7 N 2.35 0.70 -9.37 9.51 5.85 -1.99 -3.45 115.31 118.91 1oge h LEU 7 Ca -0.51 -0.50 -0.54 0.00 0.84 0.00 0.00 57.88 57.18 1oge h LEU 7 Cb 1.27 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.10 1oge h LEU 7 CO 0.61 1.28 1.00 0.21 -0.34 0.00 0.00 178.44 181.20 1oge s ASN 8 N -7.09 6.67 0.20 1.25 3.84 -1.26 -4.91 114.94 113.64 1oge s ASN 8 Ca -0.08 2.33 -0.09 0.00 0.21 0.00 0.00 52.86 55.24 1oge s ASN 8 Cb 0.09 -2.55 0.12 0.00 -0.55 0.00 0.00 41.25 38.36 1oge s ASN 8 CO 0.88 -0.87 1.73 0.77 -2.79 0.00 0.00 177.10 176.82 1oge h SER 9 N 8.64 1.06 -0.23 -4.21 4.64 -1.99 -0.46 113.55 121.01 1oge h SER 9 Ca -0.41 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 60.69 1oge h SER 9 Cb 1.19 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1oge h SER 9 CO 0.93 1.00 0.11 0.45 -0.87 0.00 0.00 176.83 178.46 1oge h HIS 10 N 1.07 0.33 -0.44 4.77 3.86 -1.99 -2.57 115.15 120.18 1oge h HIS 10 Ca 0.23 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 1oge h HIS 10 Cb 0.33 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1oge h HIS 10 CO 0.03 0.31 -0.12 -0.07 0.86 0.00 0.00 177.93 178.94 1oge h LEU 11 N 0.25 0.79 -0.89 2.43 3.38 -1.94 -2.84 115.31 116.50 1oge h LEU 11 Ca 0.08 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1oge h LEU 11 Cb 0.11 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1oge h LEU 11 CO -0.01 0.93 0.56 0.00 0.09 0.00 0.00 178.44 180.01 1oge h ALA 12 N 1.14 1.22 -0.47 1.53 0.00 -0.91 0.06 119.26 121.85 1oge h ALA 12 Ca 0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1oge h ALA 12 Cb 0.61 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1oge h ALA 12 CO 0.04 0.32 0.04 0.87 0.00 0.00 0.00 179.25 180.52 1oge h LYS 13 N 1.02 0.74 -0.12 0.00 1.57 -1.23 -0.91 116.57 117.64 1oge h LYS 13 Ca 0.39 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1oge h LYS 13 Cb 0.16 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.38 1oge h LYS 13 CO -0.17 0.72 -0.49 0.82 -0.57 0.00 0.00 179.45 179.77 1oge h ILE 14 N 0.70 1.36 -0.58 1.86 2.04 -1.17 -3.21 117.51 118.51 1oge h ILE 14 Ca 0.15 -1.79 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 1oge h ILE 14 Cb 0.37 2.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1oge h ILE 14 CO 0.01 0.54 0.16 -0.07 0.00 0.00 0.00 178.15 178.79 1oge h LEU 15 N 0.16 0.82 -1.38 1.44 3.38 -0.86 -2.72 115.31 116.14 1oge h LEU 15 Ca -0.03 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 57.95 1oge h LEU 15 Cb 1.12 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 1oge h LEU 15 CO 0.10 0.78 0.56 0.00 0.09 0.00 0.00 178.44 179.98 1oge h ALA 16 N 1.33 1.94 -0.10 1.53 0.00 -1.17 -1.83 119.26 120.95 1oge h ALA 16 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1oge h ALA 16 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1oge h ALA 16 CO -0.01 -0.18 0.00 -0.25 0.00 0.00 0.00 179.25 178.82 1oge n ASP 17 N -4.54 2.14 -4.74 0.00 8.00 -1.03 -4.97 116.55 111.42 1oge n ASP 17 Ca 0.17 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.52 1oge n ASP 17 Cb 0.51 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1oge n ASP 17 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oge s LEU 18 N -1.84 4.38 0.36 0.64 1.43 -0.69 -5.03 118.68 117.93 1oge s LEU 18 Ca 0.34 2.64 0.08 0.00 -1.03 0.00 0.00 54.13 56.17 1oge s LEU 18 Cb 0.20 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1oge s LEU 18 CO 0.31 -0.72 -0.06 -0.83 0.23 0.00 0.00 176.35 175.28 1oge s GLY 19 N 0.54 2.25 0.07 -3.19 0.00 -1.26 -5.03 107.32 100.70 1oge s GLY 19 Ca 0.62 -2.13 -0.36 0.00 0.00 0.00 0.00 44.72 42.84 1oge s GLY 19 CO 0.40 -2.03 1.43 1.57 0.00 0.00 0.00 173.10 174.47 1oge n HIS 20 N -0.82 1.73 -0.45 1.90 -0.00 -1.26 -1.11 115.22 115.22 1oge n HIS 20 Ca -0.05 0.54 0.00 0.00 0.46 0.00 0.00 57.72 58.67 1oge n HIS 20 Cb 0.64 -2.39 0.00 0.00 -0.12 0.00 0.00 29.99 28.12 1oge n HIS 20 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1oge n THR 21 N 2.91 0.00 -1.82 3.57 -2.24 0.27 -4.98 114.28 111.99 1oge n THR 21 Ca 0.19 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.61 1oge n THR 21 Cb 0.21 -0.01 0.05 0.00 -2.10 0.00 0.00 70.33 68.49 1oge n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1oge s ASP 22 N -3.49 4.85 0.08 3.42 1.01 -0.26 -4.52 116.67 117.76 1oge s ASP 22 Ca 0.00 2.41 0.08 0.00 0.71 0.00 0.00 52.55 55.75 1oge s ASP 22 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1oge s ASP 22 CO 0.00 -1.83 -0.21 -0.54 0.21 0.00 0.00 175.17 172.80 1oge s LYS 23 N -3.51 1.23 0.08 8.23 1.02 -1.26 -0.11 119.74 125.42 1oge s LYS 23 Ca 0.77 -1.09 0.04 0.00 0.02 0.00 0.00 55.97 55.72 1oge s LYS 23 Cb -0.31 -1.45 -0.03 0.00 -0.52 0.00 0.00 37.83 35.52 1oge s LYS 23 CO 0.37 0.35 -0.12 0.96 -0.92 0.00 0.00 175.35 176.00 1oge s ILE 24 N -1.02 0.99 -0.07 2.17 -4.36 -0.88 -0.34 121.20 117.69 1oge s ILE 24 Ca 0.07 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1oge s ILE 24 Cb -0.10 -1.13 -0.02 0.00 1.25 0.00 0.00 42.46 42.47 1oge s ILE 24 CO 0.03 -0.37 -0.18 -0.69 0.24 0.00 0.00 174.94 173.97 1oge s VAL 25 N -1.73 2.66 -0.21 8.37 1.01 -0.18 -1.04 120.40 129.28 1oge s VAL 25 Ca 0.00 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1oge s VAL 25 Cb -0.07 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1oge s VAL 25 CO 0.01 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.08 1oge s ILE 26 N -0.33 4.10 0.18 2.22 1.01 -0.57 0.75 121.20 128.56 1oge s ILE 26 Ca 0.02 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.50 1oge s ILE 26 Cb -0.13 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1oge s ILE 26 CO 0.02 0.41 -0.19 0.00 0.00 0.00 0.00 174.94 175.18 1oge s ALA 27 N 1.13 2.12 0.90 9.38 0.00 0.14 -2.04 121.76 133.39 1oge s ALA 27 Ca 0.03 -1.55 -0.14 0.00 0.00 0.00 0.00 51.96 50.30 1oge s ALA 27 Cb -0.14 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 22.93 1oge s ALA 27 CO 0.02 0.24 1.26 0.16 0.00 0.00 0.00 175.76 177.44 1oge s ASP 28 N -2.79 3.66 0.18 0.00 3.84 -1.03 -0.86 116.67 119.67 1oge s ASP 28 Ca 0.18 0.42 0.15 0.00 -0.00 0.00 0.00 52.55 53.30 1oge s ASP 28 Cb -0.05 -0.64 0.74 0.00 -1.38 0.00 0.00 42.92 41.59 1oge s ASP 28 CO 0.08 -2.40 1.45 0.00 -0.00 0.00 0.00 175.17 174.30 1oge n ALA 29 N -3.57 1.19 0.37 2.11 0.00 -0.30 -3.20 120.51 117.12 1oge n ALA 29 Ca 0.13 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.73 1oge n ALA 29 Cb 0.60 -1.23 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1oge n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 30 N -1.03 -0.42 3.70 0.00 0.00 -1.26 -5.00 105.19 101.17 1oge n GLY 30 Ca 0.00 -0.36 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1oge n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1oge n LEU 31 N -1.59 3.70 -4.78 0.99 7.94 -1.19 -4.96 117.00 117.10 1oge n LEU 31 Ca 0.00 1.05 -0.36 0.00 -1.11 0.00 0.00 56.01 55.59 1oge n LEU 31 Cb 0.27 -1.52 -0.05 0.00 0.53 0.00 0.00 43.42 42.66 1oge n LEU 31 CO 0.28 0.02 0.70 -2.16 -1.11 0.00 0.00 177.39 175.13 1oge s PRO 32 N 1.43 4.32 -0.24 1.96 0.04 -1.26 -4.97 135.00 136.28 1oge s PRO 32 Ca 0.78 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 1oge s PRO 32 Cb -0.56 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1oge s PRO 32 CO 0.35 0.01 0.11 0.08 0.04 0.00 0.00 177.00 177.59 1oge s VAL 33 N -1.67 4.80 0.56 -0.36 1.01 -1.26 -5.08 120.40 118.41 1oge s VAL 33 Ca 0.55 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 1oge s VAL 33 Cb -0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1oge s VAL 33 CO 0.26 0.35 1.34 -2.84 0.00 0.00 0.00 175.10 174.21 1oge s PRO 34 N 1.24 3.03 0.36 2.72 0.02 -1.26 -4.92 135.00 136.20 1oge s PRO 34 Ca 0.06 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 62.99 1oge s PRO 34 Cb -0.14 -2.18 -0.11 0.00 0.02 0.00 0.00 34.50 32.10 1oge s PRO 34 CO 0.05 -1.26 1.41 -0.51 -0.33 0.00 0.00 177.00 176.36 1oge s ASP 35 N -1.05 6.48 0.00 2.53 1.01 -1.26 -2.30 116.67 122.09 1oge s ASP 35 Ca 0.74 2.90 0.00 0.00 0.71 0.00 0.00 52.55 56.90 1oge s ASP 35 Cb -0.40 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.87 1oge s ASP 35 CO 0.46 -0.76 0.00 0.61 0.21 0.00 0.00 175.17 175.69 1oge n GLY 36 N 0.59 0.94 3.66 0.21 0.00 -1.26 -5.04 105.19 104.28 1oge n GLY 36 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1oge n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oge s VAL 37 N -2.35 5.05 0.21 1.61 1.01 -0.97 -5.06 120.40 119.90 1oge s VAL 37 Ca 0.00 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 1oge s VAL 37 Cb 0.00 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.97 1oge s VAL 37 CO 0.00 0.43 1.58 -0.22 0.00 0.00 0.00 175.10 176.89 1oge s LEU 38 N 0.55 4.37 -0.18 3.92 2.96 -1.26 -4.84 118.68 124.20 1oge s LEU 38 Ca 0.05 2.75 -0.02 0.00 -0.22 0.00 0.00 54.13 56.69 1oge s LEU 38 Cb -0.12 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1oge s LEU 38 CO 0.01 -0.85 -0.08 -0.75 -1.32 0.00 0.00 176.35 173.35 1oge s LYS 39 N 0.55 3.37 -0.31 1.98 2.20 -1.26 -0.71 119.74 125.56 1oge s LYS 39 Ca 0.68 -0.65 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1oge s LYS 39 Cb -0.45 -2.84 0.05 0.00 -1.51 0.00 0.00 37.83 33.07 1oge s LYS 39 CO 0.37 -0.03 0.02 0.42 -0.36 0.00 0.00 175.35 175.77 1oge s ILE 40 N 1.01 3.09 -0.38 5.43 1.01 -0.37 -4.97 121.20 126.01 1oge s ILE 40 Ca -0.00 -1.38 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 1oge s ILE 40 Cb -0.15 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1oge s ILE 40 CO -0.01 -0.14 0.47 -0.62 0.00 0.00 0.00 174.94 174.64 1oge s ASP 41 N 1.29 6.25 0.00 3.58 -1.08 -1.26 -0.91 116.67 124.54 1oge s ASP 41 Ca -0.04 -0.29 0.19 0.00 -0.52 0.00 0.00 52.55 51.89 1oge s ASP 41 Cb -0.20 -2.24 0.06 0.00 -1.46 0.00 0.00 42.92 39.08 1oge s ASP 41 CO -0.01 -0.50 1.03 0.18 0.52 0.00 0.00 175.17 176.40 1oge n LEU 42 N 5.66 2.18 -4.74 -1.34 4.77 -0.40 -4.95 117.00 118.17 1oge n LEU 42 Ca -0.06 -0.86 -0.38 0.00 -0.03 0.00 0.00 56.01 54.67 1oge n LEU 42 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1oge n LEU 42 CO 0.45 0.39 0.97 -0.94 -1.33 0.00 0.00 177.39 176.93 1oge s SER 43 N -1.95 5.08 0.00 -1.43 1.04 -1.21 -4.29 113.70 110.94 1oge s SER 43 Ca 0.19 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1oge s SER 43 Cb 0.16 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.65 1oge s SER 43 CO 0.38 -1.70 0.00 -0.11 0.98 0.00 0.00 173.24 172.79 1oge n LEU 44 N -1.27 1.34 -3.62 2.42 0.00 0.75 -4.91 117.00 111.71 1oge n LEU 44 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 56.01 56.05 1oge n LEU 44 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.86 1oge n LEU 44 CO 0.51 0.19 0.54 -1.59 0.00 0.00 0.00 177.39 177.05 1oge s LYS 45 N -1.94 1.30 -0.14 1.96 -2.85 -1.10 -5.04 119.74 111.94 1oge s LYS 45 Ca 0.00 -0.61 -0.40 0.00 -1.00 0.00 0.00 55.97 53.96 1oge s LYS 45 Cb 0.00 0.51 -0.18 0.00 -2.06 0.00 0.00 37.83 36.11 1oge s LYS 45 CO 0.00 -0.58 1.44 -2.30 0.10 0.00 0.00 175.35 174.01 1oge n PRO 46 N -0.39 0.69 -0.60 1.78 -0.02 -1.26 -0.23 135.00 134.97 1oge n PRO 46 Ca -0.10 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1oge n PRO 46 Cb 0.62 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1oge n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oge n GLY 47 N 3.02 1.23 2.73 -1.23 0.00 0.89 -5.00 105.19 106.83 1oge n GLY 47 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1oge n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1oge s LEU 48 N 0.00 0.59 0.59 0.99 2.96 0.68 -3.01 118.68 121.49 1oge s LEU 48 Ca 0.00 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.55 1oge s LEU 48 Cb 0.00 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 46.25 1oge s LEU 48 CO 0.00 -0.24 0.99 -2.16 -1.32 0.00 0.00 176.35 173.61 1oge s PRO 49 N 2.00 3.60 0.53 0.98 0.04 -1.26 -0.18 135.00 140.71 1oge s PRO 49 Ca 0.04 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 61.60 1oge s PRO 49 Cb -0.14 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 1oge s PRO 49 CO -0.06 -0.50 0.97 0.00 0.04 0.00 0.00 177.00 177.45 1oge s ALA 50 N -3.09 3.12 0.15 8.56 0.00 -1.16 -1.17 121.76 128.17 1oge s ALA 50 Ca 0.54 0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.36 1oge s ALA 50 Cb -0.11 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 20.02 1oge s ALA 50 CO 0.52 -0.33 1.66 0.35 0.00 0.00 0.00 175.76 177.96 1oge h PHE 51 N 0.62 -0.31 -0.50 0.00 3.57 -1.94 -1.99 116.94 116.39 1oge h PHE 51 Ca -0.46 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.13 1oge h PHE 51 Cb 1.19 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 40.06 1oge h PHE 51 CO 0.64 -0.20 0.22 1.96 -2.23 0.00 0.00 178.31 178.70 1oge h GLN 52 N -0.07 0.41 -0.73 1.11 4.20 -1.98 -0.63 115.11 117.41 1oge h GLN 52 Ca 0.16 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1oge h GLN 52 Cb 0.31 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1oge h GLN 52 CO -0.36 0.27 0.39 -0.44 -0.67 0.00 0.00 178.83 178.02 1oge h ASP 53 N 0.42 0.93 -0.21 1.46 3.32 -1.84 -1.22 116.42 119.29 1oge h ASP 53 Ca 0.23 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1oge h ASP 53 Cb 0.20 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1oge h ASP 53 CO -0.20 0.77 -0.03 0.74 -1.72 0.00 0.00 179.24 178.79 1oge h THR 54 N 1.02 1.28 -0.78 0.35 2.02 -0.93 -2.70 112.91 113.16 1oge h THR 54 Ca 0.26 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1oge h THR 54 Cb 0.06 1.51 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1oge h THR 54 CO -0.04 0.30 0.50 0.00 0.37 0.00 0.00 175.52 176.65 1oge h ALA 55 N 0.75 1.40 -0.37 6.16 0.00 -0.98 -2.05 119.26 124.18 1oge h ALA 55 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1oge h ALA 55 Cb 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1oge h ALA 55 CO 0.02 0.54 0.08 0.00 0.00 0.00 0.00 179.25 179.88 1oge h ALA 56 N 1.48 0.49 -0.44 0.00 0.00 -1.14 -1.14 119.26 118.51 1oge h ALA 56 Ca 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1oge h ALA 56 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1oge h ALA 56 CO -0.06 0.17 0.17 0.28 0.00 0.00 0.00 179.25 179.81 1oge h VAL 57 N 0.45 1.21 -0.70 0.00 2.07 -1.19 -2.76 116.25 115.34 1oge h VAL 57 Ca 0.11 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 1oge h VAL 57 Cb 0.32 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1oge h VAL 57 CO 0.00 0.24 0.33 -0.07 0.02 0.00 0.00 177.57 178.09 1oge h LEU 58 N 0.57 0.92 -1.96 2.57 -0.00 -1.25 -2.21 115.31 113.95 1oge h LEU 58 Ca 0.15 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1oge h LEU 58 Cb 0.21 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 40.63 1oge h LEU 58 CO -0.01 0.79 -0.03 0.00 -0.00 0.00 0.00 178.44 179.19 1oge h ALA 59 N 1.16 1.92 0.00 1.53 0.00 -1.09 0.30 119.26 123.09 1oge h ALA 59 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1oge h ALA 59 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1oge h ALA 59 CO -0.03 0.04 -0.38 1.49 0.00 0.00 0.00 179.25 180.37 1oge h GLU 60 N 0.00 0.00 0.00 0.00 4.22 -1.12 -3.36 114.58 114.32 1oge h GLU 60 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1oge h GLU 60 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1oge h GLU 60 CO 0.00 0.00 -0.51 0.39 -2.18 0.00 0.00 179.01 176.71 1oge n GLU 61 N -2.86 3.43 -4.70 1.92 -0.58 -0.70 -4.99 120.64 112.15 1oge n GLU 61 Ca 0.03 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.53 1oge n GLU 61 Cb 0.53 -1.01 -0.16 0.00 -0.57 0.00 0.00 31.44 30.23 1oge n GLU 61 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1oge s MET 62 N -2.02 1.38 -0.43 3.49 1.75 0.01 -4.94 119.30 118.55 1oge s MET 62 Ca 0.04 -0.53 -0.28 0.00 -1.25 0.00 0.00 55.69 53.67 1oge s MET 62 Cb 0.08 -1.27 0.02 0.00 2.84 0.00 0.00 34.83 36.50 1oge s MET 62 CO 0.44 0.27 1.05 0.00 -0.65 0.00 0.00 175.02 176.13 1oge s ALA 63 N -0.13 3.27 -0.15 4.11 0.00 -1.26 -4.67 121.76 122.93 1oge s ALA 63 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1oge s ALA 63 Cb -0.08 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1oge s ALA 63 CO 0.00 -1.97 0.03 0.08 0.00 0.00 0.00 175.76 173.90 1oge s VAL 64 N 4.01 4.48 -0.08 0.00 1.01 -1.26 0.20 120.40 128.76 1oge s VAL 64 Ca 0.44 -0.16 0.13 0.00 0.00 0.00 0.00 61.98 62.39 1oge s VAL 64 Cb -0.09 -2.97 -0.20 0.00 0.00 0.00 0.00 36.38 33.12 1oge s VAL 64 CO 0.26 0.52 0.31 -1.84 0.00 0.00 0.00 175.10 174.35 1oge n GLU 65 N 3.07 0.67 -3.65 2.72 0.28 -0.35 -4.73 120.64 118.65 1oge n GLU 65 Ca -0.18 -0.11 -0.15 0.00 -0.16 0.00 0.00 57.16 56.57 1oge n GLU 65 Cb 0.53 -1.29 -0.08 0.00 1.43 0.00 0.00 31.44 32.04 1oge n GLU 65 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1oge s LYS 66 N -2.82 0.79 0.02 3.44 2.20 -1.20 -3.42 119.74 118.76 1oge s LYS 66 Ca -0.04 0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.98 1oge s LYS 66 Cb 0.08 0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 36.76 1oge s LYS 66 CO 0.54 -0.19 -0.21 0.08 -0.36 0.00 0.00 175.35 175.21 1oge s VAL 67 N -0.65 1.67 -0.05 4.02 1.01 0.29 -0.83 120.40 125.85 1oge s VAL 67 Ca -0.07 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1oge s VAL 67 Cb -0.03 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1oge s VAL 67 CO 0.05 0.29 -0.09 -0.63 0.00 0.00 0.00 175.10 174.72 1oge s ILE 68 N -0.70 0.90 0.18 2.22 1.01 -0.43 -1.14 121.20 123.24 1oge s ILE 68 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1oge s ILE 68 Cb -0.09 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 1oge s ILE 68 CO 0.01 0.30 0.10 0.00 0.00 0.00 0.00 174.94 175.35 1oge s ALA 69 N 0.68 1.11 0.34 9.38 0.00 -0.79 -0.31 121.76 132.18 1oge s ALA 69 Ca -0.12 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 49.95 1oge s ALA 69 Cb -0.15 1.19 -0.10 0.00 0.00 0.00 0.00 23.12 24.06 1oge s ALA 69 CO 0.02 -0.54 0.95 0.00 0.00 0.00 0.00 175.76 176.19 1oge s ALA 70 N -4.09 3.18 0.19 0.00 0.00 -1.26 -1.55 121.76 118.22 1oge s ALA 70 Ca 0.34 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.72 1oge s ALA 70 Cb 0.07 -3.19 0.10 0.00 0.00 0.00 0.00 23.12 20.11 1oge s ALA 70 CO 0.09 0.14 1.74 0.00 0.00 0.00 0.00 175.76 177.73 1oge h ALA 71 N 2.94 0.87 0.00 0.00 0.00 -0.00 -2.75 119.26 120.32 1oge h ALA 71 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1oge h ALA 71 Cb 1.19 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1oge h ALA 71 CO 0.64 0.50 0.47 0.93 0.00 0.00 0.00 179.25 181.79 1oge h GLU 72 N 0.95 0.00 -0.42 0.00 3.07 -1.93 -1.99 114.58 114.26 1oge h GLU 72 Ca 0.22 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1oge h GLU 72 Cb 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1oge h GLU 72 CO -0.02 0.00 -0.05 0.97 -1.40 0.00 0.00 179.01 178.51 1oge h ILE 73 N 0.00 1.24 -0.54 3.13 2.10 -1.76 -1.39 117.51 120.28 1oge h ILE 73 Ca 0.00 -1.03 0.00 0.00 1.08 0.00 0.00 64.86 64.91 1oge h ILE 73 Cb 0.95 0.97 -0.03 0.00 -1.09 0.00 0.00 36.82 37.63 1oge h ILE 73 CO 0.00 0.35 0.34 0.11 -1.08 0.00 0.00 178.15 177.87 1oge h LYS 74 N 0.66 0.72 0.01 2.19 1.57 -1.58 -1.36 116.57 118.77 1oge h LYS 74 Ca 0.12 -0.05 -0.31 0.00 -1.87 0.00 0.00 60.65 58.55 1oge h LYS 74 Cb 0.48 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1oge h LYS 74 CO 0.02 0.49 -1.68 0.00 -0.57 0.00 0.00 179.45 177.72 1oge n ALA 75 N -2.45 0.92 0.86 3.86 0.00 -1.14 -4.05 120.51 118.51 1oge n ALA 75 Ca 0.05 -0.68 0.14 0.00 0.00 0.00 0.00 53.44 52.95 1oge n ALA 75 Cb 0.06 -0.37 0.52 0.00 0.00 0.00 0.00 19.45 19.66 1oge n ALA 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1oge n SER 76 N -4.32 0.32 -2.97 0.00 7.64 -0.54 -4.30 113.62 109.44 1oge n SER 76 Ca -0.39 0.48 -0.14 0.00 1.01 0.00 0.00 58.87 59.83 1oge n SER 76 Cb 0.76 -0.54 0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1oge n SER 76 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1oge n ASN 77 N -1.77 -0.78 -0.28 6.43 2.85 -0.52 -4.81 115.26 116.38 1oge n ASN 77 Ca 0.06 -3.29 0.09 0.00 -0.11 0.00 0.00 54.58 51.33 1oge n ASN 77 Cb 0.37 0.59 0.24 0.00 1.24 0.00 0.00 39.78 42.23 1oge n ASN 77 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1oge h GLN 78 N 3.15 0.38 0.37 1.20 4.20 -1.70 -2.38 115.11 120.33 1oge h GLN 78 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1oge h GLN 78 Cb 1.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1oge h GLN 78 CO 0.33 0.25 -0.31 1.49 -0.67 0.00 0.00 178.83 179.93 1oge h GLU 79 N 0.39 -0.66 -0.14 1.46 4.81 -1.92 -1.86 114.58 116.66 1oge h GLU 79 Ca 0.48 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.68 1oge h GLU 79 Cb 0.84 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1oge h GLU 79 CO -0.49 -0.44 -0.28 -0.91 -0.73 0.00 0.00 179.01 176.16 1oge h ASN 80 N -0.68 0.26 -0.87 1.04 2.35 -1.90 -2.36 115.58 113.41 1oge h ASN 80 Ca -0.03 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1oge h ASN 80 Cb 0.60 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 1oge h ASN 80 CO -0.03 0.54 0.51 0.00 -1.65 0.00 0.00 177.43 176.81 1oge h ALA 81 N 1.48 1.11 -0.29 -0.83 0.00 -1.22 -0.63 119.26 118.87 1oge h ALA 81 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1oge h ALA 81 Cb 0.62 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1oge h ALA 81 CO 0.04 0.58 -0.03 0.87 0.00 0.00 0.00 179.25 180.71 1oge h LYS 82 N 1.20 0.54 -0.66 0.00 1.57 -1.02 -2.49 116.57 115.70 1oge h LYS 82 Ca 0.31 -0.18 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1oge h LYS 82 Cb -0.03 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 1oge h LYS 82 CO -0.06 0.70 0.31 0.35 -0.57 0.00 0.00 179.45 180.19 1oge h PHE 83 N 0.31 0.56 -0.15 -1.35 3.57 -0.97 -0.87 116.94 118.05 1oge h PHE 83 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1oge h PHE 83 Cb 0.48 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1oge h PHE 83 CO 0.04 0.20 0.10 1.25 -2.23 0.00 0.00 178.31 177.67 1oge h LEU 84 N 0.55 0.17 -1.37 0.59 5.85 -0.99 0.13 115.31 120.25 1oge h LEU 84 Ca 0.32 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1oge h LEU 84 Cb 0.33 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1oge h LEU 84 CO -0.26 0.13 0.38 -0.33 -0.34 0.00 0.00 178.44 178.02 1oge h GLU 85 N 0.20 0.80 -0.00 1.25 4.39 -0.95 -1.55 114.58 118.72 1oge h GLU 85 Ca 0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1oge h GLU 85 Cb -0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1oge h GLU 85 CO -0.01 0.55 -0.25 -0.91 -1.16 0.00 0.00 179.01 177.23 1oge h ASN 86 N 0.82 0.22 -0.47 1.42 -0.26 -0.76 -3.14 115.58 113.41 1oge h ASN 86 Ca 0.22 -0.77 0.00 0.00 -0.56 0.00 0.00 56.30 55.19 1oge h ASN 86 Cb -0.06 -0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1oge h ASN 86 CO -0.04 0.97 0.30 0.25 -1.06 0.00 0.00 177.43 177.84 1oge h LEU 87 N -0.50 0.55 -5.58 1.61 5.85 -0.61 -3.21 115.31 113.43 1oge h LEU 87 Ca -0.03 -0.04 -0.71 0.00 0.84 0.00 0.00 57.88 57.94 1oge h LEU 87 Cb 1.00 -0.14 -0.33 0.00 0.37 0.00 0.00 40.66 41.56 1oge h LEU 87 CO 0.05 0.43 0.33 0.49 -0.34 0.00 0.00 178.44 179.40 1oge n PHE 88 N -4.73 3.28 0.03 1.25 3.01 -0.60 -4.76 117.46 114.93 1oge n PHE 88 Ca 0.02 -3.03 -0.10 0.00 1.01 0.00 0.00 57.45 55.35 1oge n PHE 88 Cb 0.04 -0.86 0.05 0.00 -0.01 0.00 0.00 39.48 38.70 1oge n PHE 88 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1oge h SER 89 N 3.47 0.56 0.15 4.37 4.64 -1.55 -3.22 113.55 121.97 1oge h SER 89 Ca 0.39 -0.32 -0.19 0.00 -0.47 0.00 0.00 61.79 61.20 1oge h SER 89 Cb 0.40 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1oge h SER 89 CO 1.07 1.04 -0.72 -0.33 -0.87 0.00 0.00 176.83 177.02 1oge h GLU 90 N 0.36 0.50 -7.45 4.77 5.08 -1.90 -3.46 114.58 112.49 1oge h GLU 90 Ca -0.01 -0.40 -0.50 0.00 -1.00 0.00 0.00 59.36 57.46 1oge h GLU 90 Cb 1.17 0.08 0.08 0.00 0.50 0.00 0.00 28.75 30.58 1oge h GLU 90 CO 0.11 1.03 0.41 -0.65 -1.00 0.00 0.00 179.01 178.91 1oge s GLN 91 N -3.68 2.97 -0.03 2.33 1.11 -1.22 -5.03 119.66 116.10 1oge s GLN 91 Ca -0.07 0.54 -0.28 0.00 0.01 0.00 0.00 55.36 55.57 1oge s GLN 91 Cb 0.10 -2.03 -0.03 0.00 -1.01 0.00 0.00 33.01 30.04 1oge s GLN 91 CO 0.85 -0.98 0.90 -2.00 0.01 0.00 0.00 175.29 174.08 1oge s GLU 92 N -5.30 4.50 -0.22 2.91 2.12 -1.22 -4.93 118.70 116.55 1oge s GLU 92 Ca 0.58 1.25 -0.01 0.00 0.36 0.00 0.00 54.97 57.14 1oge s GLU 92 Cb -0.11 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.83 1oge s GLU 92 CO 0.52 -0.05 -0.10 0.42 -0.54 0.00 0.00 175.26 175.52 1oge s ILE 93 N 1.07 2.72 -0.14 -3.70 1.01 -1.26 -0.55 121.20 120.36 1oge s ILE 93 Ca 0.47 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 1oge s ILE 93 Cb -0.20 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1oge s ILE 93 CO 0.24 0.32 -0.03 -0.70 0.00 0.00 0.00 174.94 174.77 1oge s GLU 94 N 1.34 3.49 -0.16 2.79 2.12 -0.30 -5.00 118.70 122.98 1oge s GLU 94 Ca 0.02 -0.49 -0.04 0.00 0.36 0.00 0.00 54.97 54.82 1oge s GLU 94 Cb -0.15 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1oge s GLU 94 CO -0.07 0.37 -0.02 0.71 -0.54 0.00 0.00 175.26 175.71 1oge s TYR 95 N 0.03 3.07 0.26 5.30 1.51 -1.26 -1.89 117.35 124.37 1oge s TYR 95 Ca 0.01 -0.24 0.05 0.00 -1.01 0.00 0.00 57.07 55.88 1oge s TYR 95 Cb -0.13 -1.99 -0.06 0.00 -0.11 0.00 0.00 41.96 39.67 1oge s TYR 95 CO 0.02 -0.02 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.91 1oge s LEU 96 N 0.41 2.36 0.59 -1.29 1.43 -0.60 -4.80 118.68 116.78 1oge s LEU 96 Ca -0.02 -1.21 -0.19 0.00 -1.03 0.00 0.00 54.13 51.68 1oge s LEU 96 Cb -0.14 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.57 1oge s LEU 96 CO 0.02 -0.42 1.21 -0.94 0.23 0.00 0.00 176.35 176.45 1oge s SER 97 N -3.38 5.21 0.46 2.29 1.04 -1.26 0.72 113.70 118.78 1oge s SER 97 Ca 0.29 2.40 0.17 0.00 0.48 0.00 0.00 55.95 59.30 1oge s SER 97 Cb 0.05 -2.60 1.14 0.00 0.10 0.00 0.00 66.02 64.71 1oge s SER 97 CO 0.10 -1.58 1.99 -0.74 0.98 0.00 0.00 173.24 173.99 1oge h HIS 98 N 0.93 0.30 -0.36 5.02 2.76 -1.92 -0.39 115.15 121.49 1oge h HIS 98 Ca -0.50 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 57.64 1oge h HIS 98 Cb 1.30 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1oge h HIS 98 CO 0.47 0.14 0.08 0.93 -1.30 0.00 0.00 177.93 178.24 1oge h GLU 99 N 0.27 0.58 -0.08 5.26 4.39 -2.00 -1.53 114.58 121.47 1oge h GLU 99 Ca 0.26 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1oge h GLU 99 Cb 0.66 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 1oge h GLU 99 CO -0.06 0.63 -0.39 1.49 -1.16 0.00 0.00 179.01 179.52 1oge h GLU 100 N 0.43 0.16 -0.25 2.33 4.81 -1.61 -2.90 114.58 117.55 1oge h GLU 100 Ca 0.11 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1oge h GLU 100 Cb 0.32 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1oge h GLU 100 CO 0.00 0.54 0.11 0.35 -0.73 0.00 0.00 179.01 179.28 1oge h PHE 101 N 0.14 0.38 -0.37 0.92 3.57 -0.75 -2.72 116.94 118.11 1oge h PHE 101 Ca 0.01 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1oge h PHE 101 Cb 0.76 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1oge h PHE 101 CO 0.01 0.38 0.16 0.87 -2.23 0.00 0.00 178.31 177.50 1oge h LYS 102 N 0.26 0.51 -0.25 1.11 1.57 -1.11 -1.63 116.57 117.03 1oge h LYS 102 Ca 0.08 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1oge h LYS 102 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1oge h LYS 102 CO -0.01 0.42 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.02 1oge h LEU 103 N 0.52 0.44 -1.17 2.94 3.38 -1.31 -2.61 115.31 117.49 1oge h LEU 103 Ca 0.13 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1oge h LEU 103 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1oge h LEU 103 CO -0.02 0.66 -0.40 -0.07 0.09 0.00 0.00 178.44 178.70 1oge h LEU 104 N 0.40 0.02 -0.73 1.67 3.38 -1.00 -2.83 115.31 116.22 1oge h LEU 104 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1oge h LEU 104 Cb 0.59 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1oge h LEU 104 CO 0.04 0.42 0.00 0.35 0.09 0.00 0.00 178.44 179.34 1oge n THR 105 N -4.06 1.28 0.23 0.22 -2.24 -0.98 -1.90 114.28 106.82 1oge n THR 105 Ca -0.02 0.53 0.06 0.00 -2.27 0.00 0.00 64.05 62.35 1oge n THR 105 Cb 0.44 -1.49 0.52 0.00 -2.10 0.00 0.00 70.33 67.70 1oge n THR 105 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1oge h LYS 106 N 0.00 0.00 -0.01 -0.78 1.79 -1.62 -2.57 116.57 113.38 1oge h LYS 106 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1oge h LYS 106 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1oge h LYS 106 CO 0.00 0.19 -0.26 -0.25 -1.08 0.00 0.00 179.45 178.06 1oge n ASP 107 N -4.22 1.15 -4.76 0.86 8.00 -0.80 -4.93 116.55 111.86 1oge n ASP 107 Ca -0.02 -0.99 -0.37 0.00 0.71 0.00 0.00 54.79 54.12 1oge n ASP 107 Cb 0.26 0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.53 1oge n ASP 107 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oge s ALA 108 N -2.46 2.73 -0.28 2.24 0.00 -0.97 -4.69 121.76 118.33 1oge s ALA 108 Ca 0.25 1.06 0.21 0.00 0.00 0.00 0.00 51.96 53.47 1oge s ALA 108 Cb 0.19 -3.46 0.31 0.00 0.00 0.00 0.00 23.12 20.17 1oge s ALA 108 CO 0.51 -1.06 1.58 0.87 0.00 0.00 0.00 175.76 177.66 1oge h LYS 109 N 1.35 0.00 -1.78 0.00 1.79 -1.02 -3.45 116.57 113.46 1oge h LYS 109 Ca -0.50 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.14 1oge h LYS 109 Cb 1.28 0.00 -0.19 0.00 -1.58 0.00 0.00 32.23 31.75 1oge h LYS 109 CO 0.57 0.20 0.65 0.00 -1.08 0.00 0.00 179.45 179.79 1oge s ALA 110 N -3.16 -1.96 -0.17 3.86 0.00 -1.26 -4.16 121.76 114.91 1oge s ALA 110 Ca 0.05 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.42 1oge s ALA 110 Cb 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1oge s ALA 110 CO 0.69 -0.56 -0.20 0.08 0.00 0.00 0.00 175.76 175.76 1oge s VAL 111 N -2.40 2.01 -0.35 0.00 1.01 0.12 -1.01 120.40 119.79 1oge s VAL 111 Ca 0.06 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1oge s VAL 111 Cb -0.01 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1oge s VAL 111 CO -0.05 0.54 0.38 -0.63 0.00 0.00 0.00 175.10 175.33 1oge s ILE 112 N 1.17 5.15 -0.12 2.22 1.01 0.23 -1.24 121.20 129.62 1oge s ILE 112 Ca 0.01 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 1oge s ILE 112 Cb -0.14 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1oge s ILE 112 CO -0.10 -0.11 0.54 -0.60 0.00 0.00 0.00 174.94 174.67 1oge s ARG 113 N 2.05 4.34 0.57 2.79 3.52 -0.09 0.27 118.95 132.40 1oge s ARG 113 Ca 0.12 0.55 0.06 0.00 -0.13 0.00 0.00 55.73 56.33 1oge s ARG 113 Cb -0.16 -3.46 0.06 0.00 -1.56 0.00 0.00 34.95 29.82 1oge s ARG 113 CO 0.12 0.08 0.49 0.95 -0.81 0.00 0.00 175.30 176.13 1oge s THR 114 N 0.85 1.60 -2.14 4.11 -4.23 -0.04 -1.28 115.64 114.51 1oge s THR 114 Ca 0.28 -1.41 0.17 0.00 -1.18 0.00 0.00 61.69 59.56 1oge s THR 114 Cb -0.16 -2.01 0.43 0.00 1.34 0.00 0.00 72.50 72.10 1oge s THR 114 CO 0.12 0.00 1.41 0.61 -0.54 0.00 0.00 174.62 176.22 1oge n GLY 115 N -1.90 1.00 3.68 3.99 0.00 -0.32 -3.55 105.19 108.09 1oge n GLY 115 Ca 0.01 -0.51 -0.49 0.00 0.00 0.00 0.00 46.02 45.03 1oge n GLY 115 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1oge n GLU 116 N 0.79 2.08 -1.60 1.61 4.07 -1.24 -0.08 120.64 126.28 1oge n GLU 116 Ca 0.16 0.76 -0.27 0.00 -0.06 0.00 0.00 57.16 57.75 1oge n GLU 116 Cb 0.40 -2.58 0.06 0.00 -0.06 0.00 0.00 31.44 29.27 1oge n GLU 116 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 1oge n PHE 117 N 5.97 2.84 -4.79 4.31 3.01 -1.26 -1.15 117.46 126.40 1oge n PHE 117 Ca 0.22 -2.53 -0.25 0.00 1.01 0.00 0.00 57.45 55.90 1oge n PHE 117 Cb 0.28 -0.87 -0.15 0.00 -0.01 0.00 0.00 39.48 38.73 1oge n PHE 117 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1oge s THR 118 N -4.57 1.43 0.53 4.37 -4.23 -1.26 -5.07 115.64 106.84 1oge s THR 118 Ca 0.57 -0.85 -0.21 0.00 -1.18 0.00 0.00 61.69 60.02 1oge s THR 118 Cb 0.46 -1.20 -0.06 0.00 1.34 0.00 0.00 72.50 73.03 1oge s THR 118 CO 0.02 0.34 1.19 -0.81 -0.54 0.00 0.00 174.62 174.82 1oge n PRO 119 N 2.47 1.43 -2.08 3.99 -0.04 -1.26 -3.39 135.00 136.12 1oge n PRO 119 Ca -0.15 0.53 -0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1oge n PRO 119 Cb 0.54 -2.37 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1oge n PRO 119 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1oge n TYR 120 N -1.09 -1.02 -1.97 0.54 4.02 -1.26 -4.64 117.16 111.74 1oge n TYR 120 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.58 1oge n TYR 120 Cb 0.44 -2.82 -0.00 0.00 -0.02 0.00 0.00 39.34 36.94 1oge n TYR 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1oge n ALA 121 N -1.26 5.98 -2.88 -0.72 0.00 -1.22 -4.70 120.51 115.71 1oge n ALA 121 Ca -0.15 -4.05 -0.09 0.00 0.00 0.00 0.00 53.44 49.14 1oge n ALA 121 Cb 0.56 -3.15 -0.11 0.00 0.00 0.00 0.00 19.45 16.76 1oge n ALA 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1oge s ASN 122 N 1.57 0.30 0.03 0.00 -0.87 -1.26 -2.46 114.94 112.25 1oge s ASN 122 Ca 0.48 -0.55 -0.25 0.00 -1.57 0.00 0.00 52.86 50.97 1oge s ASN 122 Cb 0.14 0.11 0.06 0.00 -0.02 0.00 0.00 41.25 41.53 1oge s ASN 122 CO -0.05 -0.33 0.57 0.00 -2.57 0.00 0.00 177.10 174.73 1oge s ILE 124 N -2.17 3.84 -0.29 0.00 1.01 0.58 -1.51 121.20 122.65 1oge s ILE 124 Ca -0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1oge s ILE 124 Cb -0.01 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.75 1oge s ILE 124 CO 0.01 0.47 0.14 -0.76 0.00 0.00 0.00 174.94 174.80 1oge s LEU 125 N 0.58 3.96 -0.28 2.97 1.43 -0.21 -1.32 118.68 125.81 1oge s LEU 125 Ca -0.03 -0.37 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1oge s LEU 125 Cb -0.14 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1oge s LEU 125 CO 0.02 -0.14 0.33 -1.58 0.23 0.00 0.00 176.35 175.22 1oge s GLN 126 N 1.64 3.93 0.30 1.70 0.74 -0.01 -2.08 119.66 125.87 1oge s GLN 126 Ca 0.05 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.06 1oge s GLN 126 Cb -0.16 -3.68 -0.12 0.00 1.10 0.00 0.00 33.01 30.14 1oge s GLN 126 CO 0.06 -0.30 1.42 0.00 -0.55 0.00 0.00 175.29 175.92 1oge n ALA 127 N 5.28 1.62 -2.11 1.58 0.00 0.84 -1.21 120.51 126.52 1oge n ALA 127 Ca -0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1oge n ALA 127 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1oge n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oge n GLY 128 N 1.54 2.51 3.30 0.00 0.00 0.13 -0.56 105.19 112.11 1oge n GLY 128 Ca 0.08 -2.02 -0.21 0.00 0.00 0.00 0.00 46.02 43.86 1oge n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oge s VAL 129 N 2.02 1.69 -2.48 1.61 1.01 -1.26 -4.26 120.40 118.73 1oge s VAL 129 Ca 0.00 -1.82 0.26 0.00 0.00 0.00 0.00 61.98 60.42 1oge s VAL 129 Cb 0.00 -1.73 0.49 0.00 0.00 0.00 0.00 36.38 35.14 1oge s VAL 129 CO 0.00 -0.30 1.65 0.18 0.00 0.00 0.00 175.10 176.62 1oge n LEU 130 N 0.46 1.72 0.00 3.92 4.77 -1.26 -5.05 117.00 121.55 1oge n LEU 130 Ca -0.15 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1oge n LEU 130 Cb 0.57 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1oge n LEU 130 CO 0.28 0.31 0.00 2.22 -1.33 0.00 0.00 177.39 178.87