#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 4.33 -0.01 0.03 2.20 -1.26 -4.95 119.74 120.08 1oge s LYS 2 Ca 0.00 1.97 -0.13 0.00 -0.36 0.00 0.00 55.97 57.45 1oge s LYS 2 Cb 0.00 -3.37 -0.33 0.00 -1.51 0.00 0.00 37.83 32.62 1oge s LYS 2 CO 0.00 -0.44 0.82 0.87 -0.36 0.00 0.00 175.35 176.24 1oge h LYS 3 N 7.11 0.46 -5.83 4.03 1.57 -2.05 -3.48 116.57 118.39 1oge h LYS 3 Ca -0.41 -0.79 -0.58 0.00 -1.87 0.00 0.00 60.65 57.00 1oge h LYS 3 Cb 1.20 0.29 -0.10 0.00 0.08 0.00 0.00 32.23 33.71 1oge h LYS 3 CO 0.86 1.37 -0.52 -1.01 -0.57 0.00 0.00 179.45 179.58 1oge s HIS 4 N -2.59 2.57 0.00 -1.35 3.76 -1.26 -5.08 115.29 111.34 1oge s HIS 4 Ca -0.13 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 1oge s HIS 4 Cb 0.05 -1.91 0.00 0.00 1.11 0.00 0.00 32.58 31.83 1oge s HIS 4 CO 0.90 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 175.45 1oge n GLY 5 N -1.17 -2.48 3.76 -2.22 0.00 -1.26 -4.93 105.19 96.89 1oge n GLY 5 Ca -0.02 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1oge n GLY 5 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1oge s ILE 6 N -0.62 2.31 0.15 -0.61 2.07 -1.26 -4.95 121.20 118.28 1oge s ILE 6 Ca 0.00 0.26 -0.08 0.00 -1.41 0.00 0.00 60.65 59.43 1oge s ILE 6 Cb 0.00 -3.15 -0.10 0.00 0.13 0.00 0.00 42.46 39.34 1oge s ILE 6 CO 0.00 0.03 1.41 0.25 -1.91 0.00 0.00 174.94 174.72 1oge h LEU 7 N 2.25 0.79 -9.38 8.50 5.85 -1.99 -3.45 115.31 117.89 1oge h LEU 7 Ca -0.50 -0.46 -0.54 0.00 0.84 0.00 0.00 57.88 57.21 1oge h LEU 7 Cb 1.26 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.07 1oge h LEU 7 CO 0.61 1.23 1.00 0.21 -0.34 0.00 0.00 178.44 181.15 1oge s ASN 8 N -6.99 6.66 0.14 1.25 3.84 -1.26 -4.93 114.94 113.65 1oge s ASN 8 Ca -0.09 2.35 -0.14 0.00 0.21 0.00 0.00 52.86 55.19 1oge s ASN 8 Cb 0.10 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.26 1oge s ASN 8 CO 0.87 -0.87 1.64 0.77 -2.79 0.00 0.00 177.10 176.72 1oge h SER 9 N 8.67 0.68 -0.45 -4.21 4.64 -2.00 -0.52 113.55 120.36 1oge h SER 9 Ca -0.41 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 60.70 1oge h SER 9 Cb 1.19 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1oge h SER 9 CO 0.93 0.74 0.27 0.45 -0.87 0.00 0.00 176.83 178.35 1oge h HIS 10 N 0.59 0.50 -0.51 4.77 3.86 -1.99 -2.58 115.15 119.79 1oge h HIS 10 Ca 0.14 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 1oge h HIS 10 Cb 0.33 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1oge h HIS 10 CO 0.02 0.29 -0.13 -0.07 0.86 0.00 0.00 177.93 178.90 1oge h LEU 11 N 0.54 0.98 -0.82 2.43 3.38 -1.93 -3.00 115.31 116.90 1oge h LEU 11 Ca 0.18 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1oge h LEU 11 Cb 0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1oge h LEU 11 CO -0.08 1.11 0.49 0.00 0.09 0.00 0.00 178.44 180.05 1oge h ALA 12 N 0.98 1.14 -0.66 1.53 0.00 -0.84 -0.57 119.26 120.83 1oge h ALA 12 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1oge h ALA 12 Cb 0.68 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1oge h ALA 12 CO 0.05 0.19 0.34 0.87 0.00 0.00 0.00 179.25 180.70 1oge h LYS 13 N 0.87 0.92 -0.11 0.00 1.57 -1.33 0.24 116.57 118.73 1oge h LYS 13 Ca 0.37 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.95 1oge h LYS 13 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1oge h LYS 13 CO -0.20 0.69 -0.30 0.82 -0.57 0.00 0.00 179.45 179.89 1oge h ILE 14 N 0.93 1.39 -0.75 1.86 5.03 -1.18 -3.21 117.51 121.57 1oge h ILE 14 Ca 0.23 -1.62 -0.02 0.00 -0.12 0.00 0.00 64.86 63.33 1oge h ILE 14 Cb 0.05 2.14 -0.04 0.00 -3.03 0.00 0.00 36.82 35.95 1oge h ILE 14 CO -0.04 0.47 0.38 -0.07 -0.68 0.00 0.00 178.15 178.21 1oge h LEU 15 N -0.03 0.96 -1.41 1.44 3.38 -0.90 -2.41 115.31 116.33 1oge h LEU 15 Ca -0.01 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.04 1oge h LEU 15 Cb 0.92 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1oge h LEU 15 CO 0.06 0.80 0.57 0.00 0.09 0.00 0.00 178.44 179.97 1oge h ALA 16 N 1.35 2.01 -0.01 1.53 0.00 -0.96 -1.81 119.26 121.38 1oge h ALA 16 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1oge h ALA 16 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1oge h ALA 16 CO -0.04 -0.27 -0.27 -0.25 0.00 0.00 0.00 179.25 178.42 1oge n ASP 17 N -4.54 1.28 -4.75 0.00 8.00 -0.92 -4.96 116.55 110.66 1oge n ASP 17 Ca 0.18 -1.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.19 1oge n ASP 17 Cb 0.57 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 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 -2.44 4.36 0.33 0.64 1.43 -0.68 -5.01 118.68 117.30 1oge s LEU 18 Ca 0.25 2.87 0.08 0.00 -1.03 0.00 0.00 54.13 56.29 1oge s LEU 18 Cb 0.19 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.72 1oge s LEU 18 CO 0.51 -0.84 -0.06 -0.83 0.23 0.00 0.00 176.35 175.35 1oge s GLY 19 N 0.41 2.10 -0.01 -3.19 0.00 -1.26 -5.04 107.32 100.33 1oge s GLY 19 Ca 0.61 -2.05 -0.36 0.00 0.00 0.00 0.00 44.72 42.92 1oge s GLY 19 CO 0.47 -1.96 1.58 1.57 0.00 0.00 0.00 173.10 174.76 1oge n HIS 20 N -0.73 1.96 -0.26 1.90 -0.00 -1.26 -1.40 115.22 115.43 1oge n HIS 20 Ca -0.05 0.41 0.00 0.00 0.46 0.00 0.00 57.72 58.54 1oge n HIS 20 Cb 0.64 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 3.66 0.00 -1.91 3.57 -2.24 -0.15 -5.01 114.28 112.20 1oge n THR 21 Ca 0.21 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.62 1oge n THR 21 Cb 0.22 0.00 0.04 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 -3.26 5.16 0.05 3.42 1.01 -0.49 -4.58 116.67 117.99 1oge s ASP 22 Ca 0.00 2.54 0.09 0.00 0.71 0.00 0.00 52.55 55.89 1oge s ASP 22 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1oge s ASP 22 CO 0.00 -1.62 -0.26 -0.54 0.21 0.00 0.00 175.17 172.96 1oge s LYS 23 N -3.17 1.71 0.08 8.23 1.02 -1.26 -0.48 119.74 125.87 1oge s LYS 23 Ca 0.76 -1.11 0.04 0.00 0.02 0.00 0.00 55.97 55.68 1oge s LYS 23 Cb -0.35 -1.91 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1oge s LYS 23 CO 0.39 0.49 -0.11 0.96 -0.92 0.00 0.00 175.35 176.15 1oge s ILE 24 N -0.83 0.97 -0.05 2.17 -4.36 -0.82 -0.39 121.20 117.89 1oge s ILE 24 Ca 0.11 -1.45 0.06 0.00 -0.26 0.00 0.00 60.65 59.11 1oge s ILE 24 Cb -0.10 -1.16 -0.02 0.00 1.25 0.00 0.00 42.46 42.43 1oge s ILE 24 CO 0.02 -0.41 -0.22 -0.69 0.24 0.00 0.00 174.94 173.89 1oge s VAL 25 N -1.86 2.35 -0.19 8.37 1.01 0.10 -1.10 120.40 129.09 1oge s VAL 25 Ca 0.01 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1oge s VAL 25 Cb -0.07 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1oge s VAL 25 CO 0.01 0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 175.03 1oge s ILE 26 N -0.40 3.82 0.15 2.22 1.01 -0.58 0.54 121.20 127.97 1oge s ILE 26 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1oge s ILE 26 Cb -0.12 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1oge s ILE 26 CO 0.02 0.45 -0.13 0.00 0.00 0.00 0.00 174.94 175.27 1oge s ALA 27 N 0.87 1.64 0.93 9.38 0.00 0.37 -1.52 121.76 133.43 1oge s ALA 27 Ca -0.00 -1.44 -0.15 0.00 0.00 0.00 0.00 51.96 50.37 1oge s ALA 27 Cb -0.14 -0.06 0.17 0.00 0.00 0.00 0.00 23.12 23.09 1oge s ALA 27 CO 0.02 0.05 1.25 0.16 0.00 0.00 0.00 175.76 177.24 1oge s ASP 28 N -2.84 3.39 0.02 0.00 3.84 -0.84 -1.53 116.67 118.71 1oge s ASP 28 Ca 0.14 0.51 0.08 0.00 -0.00 0.00 0.00 52.55 53.28 1oge s ASP 28 Cb -0.02 -0.75 0.34 0.00 -1.38 0.00 0.00 42.92 41.11 1oge s ASP 28 CO 0.04 -2.58 1.25 0.00 -0.00 0.00 0.00 175.17 173.87 1oge n ALA 29 N -3.71 1.30 0.48 2.11 0.00 -0.24 -3.27 120.51 117.17 1oge n ALA 29 Ca 0.12 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1oge n ALA 29 Cb 0.60 -1.12 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.83 -0.14 3.71 0.00 0.00 -1.26 -5.01 105.19 101.66 1oge n GLY 30 Ca 0.01 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.35 3.87 -4.78 0.99 7.94 -1.20 -4.97 117.00 117.51 1oge n LEU 31 Ca 0.02 1.12 -0.37 0.00 -1.11 0.00 0.00 56.01 55.66 1oge n LEU 31 Cb 0.19 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.55 1oge n LEU 31 CO 0.24 -0.01 0.66 -2.16 -1.11 0.00 0.00 177.39 175.00 1oge s PRO 32 N 0.14 4.55 -0.25 1.96 0.04 -1.26 -5.00 135.00 135.18 1oge s PRO 32 Ca 0.70 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 63.00 1oge s PRO 32 Cb -0.55 -2.78 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1oge s PRO 32 CO 0.43 0.24 0.12 0.08 0.04 0.00 0.00 177.00 177.92 1oge s VAL 33 N -1.61 4.91 0.70 -0.36 1.01 -1.26 -5.08 120.40 118.71 1oge s VAL 33 Ca 0.51 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 62.35 1oge s VAL 33 Cb -0.19 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.91 1oge s VAL 33 CO 0.24 0.33 1.20 -2.65 0.00 0.00 0.00 175.10 174.23 1oge n PRO 34 N 4.62 0.76 -1.99 2.72 -0.02 -1.26 -4.92 135.00 134.92 1oge n PRO 34 Ca -0.15 0.32 -0.41 0.00 -2.02 0.00 0.00 63.50 61.24 1oge n PRO 34 Cb 0.52 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 1oge n PRO 34 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1oge s ASP 35 N -1.61 6.61 0.00 2.55 1.01 -1.26 -2.50 116.67 121.47 1oge s ASP 35 Ca 0.79 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.84 1oge s ASP 35 Cb -0.35 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 40.93 1oge s ASP 35 CO 0.45 -0.69 0.00 0.61 0.21 0.00 0.00 175.17 175.75 1oge n GLY 36 N 1.20 1.12 3.64 0.21 0.00 -1.26 -5.04 105.19 105.07 1oge n GLY 36 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.50 5.13 0.25 1.61 1.01 -1.04 -5.06 120.40 119.80 1oge s VAL 37 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1oge s VAL 37 Cb 0.00 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 32.90 1oge s VAL 37 CO 0.00 0.39 1.59 -0.22 0.00 0.00 0.00 175.10 176.86 1oge s LEU 38 N 0.84 4.36 -0.16 3.92 2.96 -1.26 -4.85 118.68 124.49 1oge s LEU 38 Ca 0.06 2.84 -0.01 0.00 -0.22 0.00 0.00 54.13 56.80 1oge s LEU 38 Cb -0.13 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 1oge s LEU 38 CO 0.02 -0.88 -0.10 -0.75 -1.32 0.00 0.00 176.35 173.32 1oge s LYS 39 N 0.09 3.39 -0.29 1.98 2.20 -1.26 -1.14 119.74 124.70 1oge s LYS 39 Ca 0.66 -0.66 -0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1oge s LYS 39 Cb -0.47 -2.75 0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1oge s LYS 39 CO 0.42 0.09 -0.01 0.42 -0.36 0.00 0.00 175.35 175.91 1oge s ILE 40 N 0.68 3.00 -0.38 5.43 1.01 -0.13 -4.97 121.20 125.83 1oge s ILE 40 Ca -0.05 -1.33 -0.17 0.00 0.00 0.00 0.00 60.65 59.10 1oge s ILE 40 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1oge s ILE 40 CO 0.02 -0.07 0.42 -0.62 0.00 0.00 0.00 174.94 174.70 1oge s ASP 41 N 1.27 6.21 0.00 3.58 3.68 -1.26 -0.44 116.67 129.70 1oge s ASP 41 Ca -0.04 -0.39 0.22 0.00 2.13 0.00 0.00 52.55 54.46 1oge s ASP 41 Cb -0.19 -2.22 0.13 0.00 -1.45 0.00 0.00 42.92 39.19 1oge s ASP 41 CO -0.01 -0.47 1.17 0.18 0.13 0.00 0.00 175.17 176.16 1oge n LEU 42 N 5.55 2.64 -4.77 -1.34 4.77 -0.07 -4.94 117.00 118.83 1oge n LEU 42 Ca -0.08 -0.94 -0.40 0.00 -0.03 0.00 0.00 56.01 54.56 1oge n LEU 42 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1oge n LEU 42 CO 0.44 0.45 1.02 -0.94 -1.33 0.00 0.00 177.39 177.03 1oge s SER 43 N -1.98 6.29 -0.04 -1.43 1.04 -1.19 -4.34 113.70 112.05 1oge s SER 43 Ca 0.24 2.78 -0.00 0.00 0.48 0.00 0.00 55.95 59.45 1oge s SER 43 Cb 0.18 -2.65 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1oge s SER 43 CO 0.34 -0.88 -0.04 -0.11 0.98 0.00 0.00 173.24 173.53 1oge n LEU 44 N 0.22 2.35 -3.64 2.42 7.94 0.70 -4.93 117.00 122.06 1oge n LEU 44 Ca 0.03 -0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.87 1oge n LEU 44 Cb 0.42 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 44.21 1oge n LEU 44 CO 0.58 0.46 0.69 -1.59 -1.11 0.00 0.00 177.39 176.42 1oge s LYS 45 N -2.08 1.05 -0.17 1.96 -2.85 -1.00 -5.04 119.74 111.60 1oge s LYS 45 Ca -0.06 -0.51 -0.40 0.00 -1.00 0.00 0.00 55.97 54.00 1oge s LYS 45 Cb 0.02 0.41 -0.17 0.00 -2.06 0.00 0.00 37.83 36.02 1oge s LYS 45 CO 0.09 -0.47 1.53 -2.30 0.10 0.00 0.00 175.35 174.30 1oge n PRO 46 N -0.38 0.86 -0.01 1.78 -0.02 -1.26 -0.22 135.00 135.75 1oge n PRO 46 Ca -0.08 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1oge n PRO 46 Cb 0.61 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 3.38 2.18 2.92 -1.23 0.00 0.20 -5.00 105.19 107.64 1oge n GLY 47 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 1.94 0.58 0.99 0.20 0.69 -2.63 118.68 120.46 1oge s LEU 48 Ca 0.00 -0.81 -0.07 0.00 0.69 0.00 0.00 54.13 53.94 1oge s LEU 48 Cb 0.00 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.71 1oge s LEU 48 CO 0.00 -0.18 0.92 -2.16 -0.29 0.00 0.00 176.35 174.63 1oge s PRO 49 N 1.53 3.15 0.51 0.98 0.04 -1.26 -0.22 135.00 139.74 1oge s PRO 49 Ca -0.01 0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.17 1oge s PRO 49 Cb -0.16 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 1oge s PRO 49 CO -0.08 -0.61 0.84 0.00 0.04 0.00 0.00 177.00 177.20 1oge s ALA 50 N -3.01 3.33 0.21 8.56 0.00 -1.08 -0.71 121.76 129.07 1oge s ALA 50 Ca 0.53 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1oge s ALA 50 Cb -0.11 -2.70 0.22 0.00 0.00 0.00 0.00 23.12 20.53 1oge s ALA 50 CO 0.47 -0.43 1.84 0.35 0.00 0.00 0.00 175.76 177.99 1oge h PHE 51 N 0.11 0.81 -0.33 0.00 3.57 -1.94 -1.87 116.94 117.28 1oge h PHE 51 Ca -0.46 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.04 1oge h PHE 51 Cb 1.20 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1oge h PHE 51 CO 0.60 0.44 0.11 1.96 -2.23 0.00 0.00 178.31 179.19 1oge h GLN 52 N 0.83 0.51 -0.61 1.11 4.20 -1.99 0.14 115.11 119.30 1oge h GLN 52 Ca 0.30 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1oge h GLN 52 Cb 0.08 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1oge h GLN 52 CO -0.14 0.54 0.39 -0.44 -0.67 0.00 0.00 178.83 178.52 1oge h ASP 53 N 0.39 0.71 -0.10 1.46 3.32 -1.88 -1.83 116.42 118.49 1oge h ASP 53 Ca 0.11 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1oge h ASP 53 Cb 0.24 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1oge h ASP 53 CO -0.00 0.53 0.01 0.74 -1.72 0.00 0.00 179.24 178.80 1oge h THR 54 N 0.83 1.23 -0.42 0.35 2.02 -1.21 -2.75 112.91 112.96 1oge h THR 54 Ca 0.22 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1oge h THR 54 Cb -0.07 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1oge h THR 54 CO -0.05 0.21 0.24 0.00 0.37 0.00 0.00 175.52 176.29 1oge h ALA 55 N 0.77 1.63 -0.27 6.16 0.00 -0.85 -2.33 119.26 124.38 1oge h ALA 55 Ca 0.03 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1oge h ALA 55 Cb 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1oge h ALA 55 CO 0.00 0.32 -0.50 0.00 0.00 0.00 0.00 179.25 179.07 1oge h ALA 56 N 1.69 0.61 -0.29 0.00 0.00 -1.26 -1.60 119.26 118.42 1oge h ALA 56 Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 1oge h ALA 56 Cb -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1oge h ALA 56 CO -0.03 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.15 1oge h VAL 57 N 0.58 1.27 -0.68 0.00 2.07 -1.18 -2.68 116.25 115.63 1oge h VAL 57 Ca 0.02 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1oge h VAL 57 Cb 1.07 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 1oge h VAL 57 CO 0.11 0.33 0.35 -0.07 0.02 0.00 0.00 177.57 178.30 1oge h LEU 58 N 0.30 0.88 -2.03 2.57 -0.00 -1.39 -1.62 115.31 114.03 1oge h LEU 58 Ca 0.08 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 1oge h LEU 58 Cb 0.49 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1oge h LEU 58 CO 0.02 0.75 -0.09 0.00 -0.00 0.00 0.00 178.44 179.13 1oge h ALA 59 N 1.17 1.54 0.00 1.53 0.00 -1.24 -0.87 119.26 121.38 1oge h ALA 59 Ca 0.24 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1oge h ALA 59 Cb 0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1oge h ALA 59 CO -0.03 0.11 -0.92 1.49 0.00 0.00 0.00 179.25 179.89 1oge h GLU 60 N 0.00 0.00 -0.00 0.00 4.57 -0.97 -3.36 114.58 114.81 1oge h GLU 60 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1oge h GLU 60 Cb 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1oge h GLU 60 CO 0.01 0.92 -0.69 0.39 -1.18 0.00 0.00 179.01 178.47 1oge n GLU 61 N -3.41 1.25 -4.09 1.92 -0.58 -0.70 -4.99 120.64 110.03 1oge n GLU 61 Ca -0.00 -0.31 -0.14 0.00 -0.42 0.00 0.00 57.16 56.29 1oge n GLU 61 Cb 0.88 -1.35 -0.12 0.00 -0.57 0.00 0.00 31.44 30.28 1oge n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1oge s MET 62 N -2.50 0.50 -0.37 3.49 0.23 -0.41 -4.94 119.30 115.31 1oge s MET 62 Ca 0.10 -0.60 -0.28 0.00 -1.03 0.00 0.00 55.69 53.88 1oge s MET 62 Cb 0.14 -0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1oge s MET 62 CO 0.64 0.07 1.05 0.00 -2.03 0.00 0.00 175.02 174.75 1oge s ALA 63 N -1.02 3.40 -0.21 3.16 0.00 -1.26 -4.71 121.76 121.12 1oge s ALA 63 Ca -0.06 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 1oge s ALA 63 Cb -0.08 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1oge s ALA 63 CO 0.00 -1.68 0.02 0.08 0.00 0.00 0.00 175.76 174.18 1oge s VAL 64 N 3.77 4.08 -0.06 0.00 1.01 -1.26 0.58 120.40 128.52 1oge s VAL 64 Ca 0.44 -0.27 0.22 0.00 0.00 0.00 0.00 61.98 62.37 1oge s VAL 64 Cb -0.11 -2.86 -0.32 0.00 0.00 0.00 0.00 36.38 33.10 1oge s VAL 64 CO 0.20 0.41 0.46 -1.84 0.00 0.00 0.00 175.10 174.33 1oge n GLU 65 N 4.34 0.66 -3.66 2.72 0.28 -0.39 -4.73 120.64 119.87 1oge n GLU 65 Ca -0.17 -0.16 -0.15 0.00 -0.16 0.00 0.00 57.16 56.52 1oge n GLU 65 Cb 0.52 -1.53 -0.08 0.00 1.43 0.00 0.00 31.44 31.77 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 -3.40 0.78 -0.04 3.44 2.20 -1.20 -3.53 119.74 117.99 1oge s LYS 66 Ca -0.08 0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.89 1oge s LYS 66 Cb 0.13 0.36 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 1oge s LYS 66 CO 0.90 -0.19 -0.20 0.08 -0.36 0.00 0.00 175.35 175.58 1oge s VAL 67 N -0.66 1.60 -0.08 4.02 1.01 0.13 -1.15 120.40 125.26 1oge s VAL 67 Ca -0.08 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1oge s VAL 67 Cb -0.03 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1oge s VAL 67 CO 0.05 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.76 1oge s ILE 68 N -0.12 1.82 0.24 2.22 1.01 -0.20 -0.92 121.20 125.26 1oge s ILE 68 Ca -0.01 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1oge s ILE 68 Cb -0.11 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1oge s ILE 68 CO 0.02 0.51 0.14 0.00 0.00 0.00 0.00 174.94 175.61 1oge s ALA 69 N 0.27 1.46 -0.10 9.38 0.00 -0.46 -0.35 121.76 131.96 1oge s ALA 69 Ca -0.14 -1.78 -0.18 0.00 0.00 0.00 0.00 51.96 49.86 1oge s ALA 69 Cb -0.16 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.22 1oge s ALA 69 CO 0.06 -0.56 0.49 0.00 0.00 0.00 0.00 175.76 175.75 1oge s ALA 70 N -3.93 3.48 0.45 0.00 0.00 -1.26 -1.70 121.76 118.81 1oge s ALA 70 Ca 0.38 -0.16 0.22 0.00 0.00 0.00 0.00 51.96 52.40 1oge s ALA 70 Cb 0.06 -2.65 1.21 0.00 0.00 0.00 0.00 23.12 21.74 1oge s ALA 70 CO 0.15 0.03 1.85 0.00 0.00 0.00 0.00 175.76 177.79 1oge h ALA 71 N 6.55 2.41 0.00 0.00 0.00 -0.70 -0.08 119.26 127.45 1oge h ALA 71 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1oge h ALA 71 Cb 1.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1oge h ALA 71 CO 0.74 -0.72 0.02 0.39 0.00 0.00 0.00 179.25 179.69 1oge n GLU 72 N -4.46 0.08 -0.02 0.00 4.71 -1.26 -2.09 120.64 117.60 1oge n GLU 72 Ca 0.21 0.58 -0.09 0.00 -0.01 0.00 0.00 57.16 57.84 1oge n GLU 72 Cb 0.82 -1.80 0.06 0.00 -1.01 0.00 0.00 31.44 29.51 1oge n GLU 72 CO 0.00 0.00 0.00 0.97 0.09 0.00 0.00 177.13 178.19 1oge h ILE 73 N 0.00 1.31 -0.63 -3.67 2.10 -1.28 -1.76 117.51 113.57 1oge h ILE 73 Ca 0.00 -1.71 -0.00 0.00 1.08 0.00 0.00 64.86 64.23 1oge h ILE 73 Cb 0.04 1.66 -0.03 0.00 -1.09 0.00 0.00 36.82 37.41 1oge h ILE 73 CO 0.00 0.54 0.39 0.11 -1.08 0.00 0.00 178.15 178.11 1oge h LYS 74 N 0.48 0.84 0.00 2.19 1.57 -1.63 0.31 116.57 120.34 1oge h LYS 74 Ca 0.02 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1oge h LYS 74 Cb 1.03 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1oge h LYS 74 CO 0.10 0.59 -0.12 0.00 -0.57 0.00 0.00 179.45 179.45 1oge h ALA 75 N 1.20 0.01 0.00 3.86 0.00 -1.70 -3.32 119.26 119.31 1oge h ALA 75 Ca 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1oge h ALA 75 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1oge h ALA 75 CO -0.04 -0.01 -0.79 0.77 0.00 0.00 0.00 179.25 179.18 1oge h SER 76 N -0.69 0.00 -1.46 0.00 0.02 -1.34 -3.41 113.55 106.68 1oge h SER 76 Ca -0.02 -0.20 -0.41 0.00 -0.84 0.00 0.00 61.79 60.32 1oge h SER 76 Cb 0.91 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.09 1oge h SER 76 CO 0.02 0.10 -1.09 -3.20 -1.14 0.00 0.00 176.83 171.52 1oge n ASN 77 N -2.20 0.56 -0.29 3.07 2.85 0.11 -4.80 115.26 114.56 1oge n ASN 77 Ca 0.02 -2.98 0.09 0.00 -0.11 0.00 0.00 54.58 51.61 1oge n ASN 77 Cb 0.46 -0.28 0.22 0.00 1.24 0.00 0.00 39.78 41.42 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 2.96 0.11 0.04 1.20 4.20 -1.64 -1.03 115.11 120.93 1oge h GLN 78 Ca 0.01 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1oge h GLN 78 Cb 1.05 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1oge h GLN 78 CO 0.44 0.07 -0.14 1.49 -0.67 0.00 0.00 178.83 180.02 1oge h GLU 79 N 0.11 -0.25 -0.23 1.46 4.81 -1.92 -0.70 114.58 117.86 1oge h GLU 79 Ca 0.49 0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.62 1oge h GLU 79 Cb 0.93 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1oge h GLU 79 CO -0.72 -0.16 -0.34 -0.91 -0.73 0.00 0.00 179.01 176.14 1oge h ASN 80 N -0.26 0.52 -0.90 1.04 2.35 -1.79 -1.58 115.58 114.96 1oge h ASN 80 Ca 0.04 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1oge h ASN 80 Cb 0.30 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1oge h ASN 80 CO -0.11 0.83 0.58 0.00 -1.65 0.00 0.00 177.43 177.07 1oge h ALA 81 N 1.20 1.15 -0.16 -0.83 0.00 -0.85 -1.91 119.26 117.86 1oge h ALA 81 Ca 0.05 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1oge h ALA 81 Cb 0.81 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1oge h ALA 81 CO 0.07 0.57 -0.62 0.87 0.00 0.00 0.00 179.25 180.14 1oge h LYS 82 N 1.23 0.56 -0.64 0.00 1.57 -0.90 -2.79 116.57 115.60 1oge h LYS 82 Ca 0.33 -0.38 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1oge h LYS 82 Cb -0.10 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1oge h LYS 82 CO -0.07 1.00 0.37 0.35 -0.57 0.00 0.00 179.45 180.53 1oge h PHE 83 N 0.41 0.68 -0.30 -1.35 3.57 -0.75 -1.51 116.94 117.69 1oge h PHE 83 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1oge h PHE 83 Cb 1.18 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1oge h PHE 83 CO 0.05 0.35 0.14 -0.07 -2.23 0.00 0.00 178.31 176.54 1oge h LEU 84 N 0.69 0.39 -0.53 0.59 3.38 -1.28 0.17 115.31 118.72 1oge h LEU 84 Ca 0.28 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.17 1oge h LEU 84 Cb 0.12 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1oge h LEU 84 CO -0.15 0.42 0.23 -0.33 0.09 0.00 0.00 178.44 178.70 1oge h GLU 85 N 0.34 0.43 -0.04 1.13 4.39 -1.19 0.27 114.58 119.91 1oge h GLU 85 Ca 0.10 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1oge h GLU 85 Cb 0.13 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1oge h GLU 85 CO -0.01 0.29 -0.01 -0.91 -1.16 0.00 0.00 179.01 177.20 1oge h ASN 86 N 0.45 0.08 -0.26 1.42 -0.26 -1.02 -2.41 115.58 113.58 1oge h ASN 86 Ca 0.25 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1oge h ASN 86 Cb 0.22 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1oge h ASN 86 CO -0.21 0.45 0.17 0.25 -1.06 0.00 0.00 177.43 177.03 1oge h LEU 87 N -0.29 0.30 -4.45 1.61 5.85 -0.46 -3.08 115.31 114.79 1oge h LEU 87 Ca 0.01 -0.01 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 1oge h LEU 87 Cb 0.42 -0.08 -0.32 0.00 0.37 0.00 0.00 40.66 41.05 1oge h LEU 87 CO 0.00 0.22 0.51 0.49 -0.34 0.00 0.00 178.44 179.33 1oge n PHE 88 N -4.90 3.10 -0.01 1.25 3.01 0.07 -4.73 117.46 115.25 1oge n PHE 88 Ca -0.02 -2.66 0.06 0.00 1.01 0.00 0.00 57.45 55.83 1oge n PHE 88 Cb 0.03 -1.01 0.45 0.00 -0.01 0.00 0.00 39.48 38.94 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 2.51 0.43 1.68 4.37 4.64 -1.34 -2.38 113.55 123.47 1oge h SER 89 Ca 0.52 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.83 1oge h SER 89 Cb 0.60 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1oge h SER 89 CO 1.32 0.30 -0.32 -0.33 -0.87 0.00 0.00 176.83 176.94 1oge h GLU 90 N 0.51 0.00 -6.89 4.77 5.08 -1.87 -3.47 114.58 112.71 1oge h GLU 90 Ca 0.17 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 58.07 1oge h GLU 90 Cb 0.07 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.36 1oge h GLU 90 CO -0.04 0.02 0.02 -0.65 -1.00 0.00 0.00 179.01 177.35 1oge s GLN 91 N -3.25 2.87 -0.03 2.33 1.11 -0.90 -5.06 119.66 116.73 1oge s GLN 91 Ca 0.05 -0.38 -0.26 0.00 0.01 0.00 0.00 55.36 54.77 1oge s GLN 91 Cb 0.06 -2.43 -0.03 0.00 -1.01 0.00 0.00 33.01 29.60 1oge s GLN 91 CO 0.71 -0.55 0.83 -2.00 0.01 0.00 0.00 175.29 174.29 1oge s GLU 92 N -4.77 4.50 -0.16 2.91 2.12 -1.23 -4.94 118.70 117.12 1oge s GLU 92 Ca 0.52 1.13 -0.00 0.00 0.36 0.00 0.00 54.97 56.98 1oge s GLU 92 Cb -0.10 -3.45 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 1oge s GLU 92 CO 0.41 0.03 -0.15 0.42 -0.54 0.00 0.00 175.26 175.43 1oge s ILE 93 N 0.84 2.68 -0.08 -3.70 1.01 -1.26 -0.70 121.20 119.99 1oge s ILE 93 Ca 0.44 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1oge s ILE 93 Cb -0.19 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1oge s ILE 93 CO 0.23 0.51 -0.17 -0.70 0.00 0.00 0.00 174.94 174.80 1oge s GLU 94 N 0.93 2.80 -0.16 2.79 2.12 -0.09 -4.99 118.70 122.10 1oge s GLU 94 Ca -0.03 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 1oge s GLU 94 Cb -0.15 -2.40 -0.02 0.00 0.26 0.00 0.00 34.13 31.82 1oge s GLU 94 CO -0.02 0.42 -0.06 0.71 -0.54 0.00 0.00 175.26 175.78 1oge s TYR 95 N -0.21 2.98 0.31 5.30 1.51 -1.26 -1.36 117.35 124.61 1oge s TYR 95 Ca -0.00 -0.42 0.06 0.00 -1.01 0.00 0.00 57.07 55.69 1oge s TYR 95 Cb -0.13 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.71 1oge s TYR 95 CO 0.03 -0.12 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.84 1oge s LEU 96 N 0.46 2.41 0.67 -1.29 1.43 -0.69 -4.77 118.68 116.90 1oge s LEU 96 Ca -0.05 -1.28 -0.15 0.00 -1.03 0.00 0.00 54.13 51.62 1oge s LEU 96 Cb -0.15 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.51 1oge s LEU 96 CO 0.03 -0.46 1.11 -0.94 0.23 0.00 0.00 176.35 176.32 1oge s SER 97 N -3.49 5.06 0.53 2.29 1.04 -1.26 0.04 113.70 117.91 1oge s SER 97 Ca 0.33 1.99 0.22 0.00 0.48 0.00 0.00 55.95 58.97 1oge s SER 97 Cb 0.06 -2.55 1.37 0.00 0.10 0.00 0.00 66.02 65.01 1oge s SER 97 CO 0.14 -1.66 2.07 -0.74 0.98 0.00 0.00 173.24 174.02 1oge h HIS 98 N -0.05 0.00 -0.07 5.02 2.76 -1.93 0.08 115.15 120.96 1oge h HIS 98 Ca -0.47 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.70 1oge h HIS 98 Cb 1.25 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 1oge h HIS 98 CO 0.55 0.00 0.02 0.93 -1.30 0.00 0.00 177.93 178.12 1oge h GLU 99 N 0.00 0.10 -0.23 5.26 4.39 -2.01 -1.89 114.58 120.21 1oge h GLU 99 Ca 0.14 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 1oge h GLU 99 Cb 0.57 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1oge h GLU 99 CO -0.00 0.30 -0.29 0.93 -1.16 0.00 0.00 179.01 178.80 1oge h GLU 100 N -0.11 0.45 -0.37 2.33 5.08 -1.67 -2.98 114.58 117.30 1oge h GLU 100 Ca 0.02 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1oge h GLU 100 Cb 0.24 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1oge h GLU 100 CO 0.00 0.69 0.14 0.35 -1.00 0.00 0.00 179.01 179.20 1oge h PHE 101 N 0.39 0.26 -0.79 4.33 3.57 -0.77 -2.18 116.94 121.75 1oge h PHE 101 Ca 0.05 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1oge h PHE 101 Cb 0.70 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1oge h PHE 101 CO 0.02 0.11 0.35 0.87 -2.23 0.00 0.00 178.31 177.44 1oge h LYS 102 N 0.31 1.15 -0.93 1.11 1.57 -1.20 -2.42 116.57 116.15 1oge h LYS 102 Ca 0.17 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1oge h LYS 102 Cb 0.13 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1oge h LYS 102 CO -0.16 0.90 0.58 -0.07 -0.57 0.00 0.00 179.45 180.14 1oge h LEU 103 N 1.13 1.09 -1.63 2.94 4.07 -1.34 -1.78 115.31 119.80 1oge h LEU 103 Ca 0.27 -0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 1oge h LEU 103 Cb 0.16 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1oge h LEU 103 CO -0.03 0.82 -0.14 0.25 -1.08 0.00 0.00 178.44 178.25 1oge h LEU 104 N 1.27 0.05 -0.96 1.67 7.12 -0.92 -2.52 115.31 121.02 1oge h LEU 104 Ca 0.34 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.34 1oge h LEU 104 Cb -0.10 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1oge h LEU 104 CO -0.07 0.20 0.00 0.35 -0.13 0.00 0.00 178.44 178.80 1oge n THR 105 N -4.34 1.01 0.24 1.05 -2.24 -0.67 -2.14 114.28 107.19 1oge n THR 105 Ca -0.02 0.48 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 1oge n THR 105 Cb 0.23 -1.44 0.59 0.00 -2.10 0.00 0.00 70.33 67.61 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 -0.09 -0.78 1.57 -1.55 -2.54 116.57 113.18 1oge h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oge h LYS 106 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1oge h LYS 106 CO 0.00 0.19 0.00 -0.25 -0.57 0.00 0.00 179.45 178.82 1oge n ASP 107 N -3.81 1.91 -4.78 0.86 8.00 -0.91 -4.93 116.55 112.90 1oge n ASP 107 Ca -0.02 -1.67 -0.36 0.00 0.71 0.00 0.00 54.79 53.46 1oge n ASP 107 Cb 0.29 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.33 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 -1.90 2.90 -0.29 2.24 0.00 -0.96 -4.64 121.76 119.11 1oge s ALA 108 Ca 0.35 0.78 0.19 0.00 0.00 0.00 0.00 51.96 53.28 1oge s ALA 108 Cb 0.20 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 20.18 1oge s ALA 108 CO 0.31 -0.51 1.50 0.87 0.00 0.00 0.00 175.76 177.93 1oge h LYS 109 N 1.79 0.00 -2.12 0.00 1.79 -1.06 -3.45 116.57 113.52 1oge h LYS 109 Ca -0.49 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.09 1oge h LYS 109 Cb 1.24 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.72 1oge h LYS 109 CO 0.59 0.26 0.51 0.00 -1.08 0.00 0.00 179.45 179.73 1oge s ALA 110 N -3.08 -1.85 -0.14 3.86 0.00 -1.26 -4.12 121.76 115.17 1oge s ALA 110 Ca 0.05 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.16 1oge s ALA 110 Cb 0.06 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1oge s ALA 110 CO 0.71 -0.62 -0.16 0.08 0.00 0.00 0.00 175.76 175.78 1oge s VAL 111 N -2.74 1.65 -0.32 0.00 1.01 -0.29 -0.72 120.40 119.00 1oge s VAL 111 Ca 0.04 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 1oge s VAL 111 Cb -0.01 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1oge s VAL 111 CO -0.07 0.47 0.30 -0.63 0.00 0.00 0.00 175.10 175.17 1oge s ILE 112 N 1.33 5.23 -0.18 2.22 1.01 0.19 -0.95 121.20 130.04 1oge s ILE 112 Ca 0.02 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.59 1oge s ILE 112 Cb -0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1oge s ILE 112 CO -0.09 0.05 0.49 -0.60 0.00 0.00 0.00 174.94 174.79 1oge s ARG 113 N 1.90 4.23 0.55 2.79 3.52 0.41 -0.48 118.95 131.86 1oge s ARG 113 Ca 0.10 0.40 0.08 0.00 -0.13 0.00 0.00 55.73 56.17 1oge s ARG 113 Cb -0.16 -3.53 0.06 0.00 -1.56 0.00 0.00 34.95 29.75 1oge s ARG 113 CO 0.11 -0.06 0.58 0.95 -0.81 0.00 0.00 175.30 176.07 1oge s THR 114 N 1.33 1.97 -1.86 4.11 -4.23 -0.58 -0.90 115.64 115.48 1oge s THR 114 Ca 0.24 -1.25 0.13 0.00 -1.18 0.00 0.00 61.69 59.63 1oge s THR 114 Cb -0.15 -2.22 0.40 0.00 1.34 0.00 0.00 72.50 71.87 1oge s THR 114 CO 0.10 0.00 1.32 0.61 -0.54 0.00 0.00 174.62 176.10 1oge n GLY 115 N -1.97 1.20 3.69 3.99 0.00 0.11 -3.52 105.19 108.70 1oge n GLY 115 Ca 0.07 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 0.75 2.82 -2.02 1.61 4.07 -1.22 0.59 120.64 127.24 1oge n GLU 116 Ca 0.15 1.03 -0.30 0.00 -0.06 0.00 0.00 57.16 57.97 1oge n GLU 116 Cb 0.42 -2.93 0.03 0.00 -0.06 0.00 0.00 31.44 28.89 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 5.85 3.10 -4.26 4.31 3.01 -1.26 -1.08 117.46 127.14 1oge n PHE 117 Ca 0.18 -2.68 -0.18 0.00 1.01 0.00 0.00 57.45 55.78 1oge n PHE 117 Cb 0.38 -0.64 -0.13 0.00 -0.01 0.00 0.00 39.48 39.08 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 -5.04 0.85 0.27 4.37 -4.23 -1.26 -5.07 115.64 105.54 1oge s THR 118 Ca 0.53 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 1oge s THR 118 Cb 0.43 -0.79 -0.14 0.00 1.34 0.00 0.00 72.50 73.34 1oge s THR 118 CO -0.14 -0.05 1.20 -2.65 -0.54 0.00 0.00 174.62 172.44 1oge n PRO 119 N 2.02 1.67 -2.24 3.99 -0.02 -1.26 -3.24 135.00 135.91 1oge n PRO 119 Ca -0.18 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 1oge n PRO 119 Cb 0.55 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.92 1oge n PRO 119 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1oge n TYR 120 N 0.86 -1.32 -1.86 6.00 4.02 -1.26 -4.58 117.16 119.02 1oge n TYR 120 Ca 0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1oge n TYR 120 Cb 0.32 -2.45 -0.00 0.00 -0.02 0.00 0.00 39.34 37.19 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 -1.82 5.81 -2.69 -0.72 0.00 -1.20 -4.71 120.51 115.18 1oge n ALA 121 Ca -0.12 -3.97 -0.09 0.00 0.00 0.00 0.00 53.44 49.26 1oge n ALA 121 Cb 0.55 -3.32 -0.10 0.00 0.00 0.00 0.00 19.45 16.58 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 2.26 0.26 0.13 0.00 -0.87 -1.26 -1.99 114.94 113.47 1oge s ASN 122 Ca 0.48 -0.61 -0.24 0.00 -1.57 0.00 0.00 52.86 50.92 1oge s ASN 122 Cb 0.14 0.18 0.07 0.00 -0.02 0.00 0.00 41.25 41.61 1oge s ASN 122 CO -0.06 -0.45 0.60 0.00 -2.57 0.00 0.00 177.10 174.62 1oge s ILE 124 N -3.39 3.32 -0.26 0.00 1.01 0.52 -1.52 121.20 120.88 1oge s ILE 124 Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 1oge s ILE 124 Cb -0.01 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1oge s ILE 124 CO -0.10 0.48 0.13 -0.76 0.00 0.00 0.00 174.94 174.70 1oge s LEU 125 N 0.75 3.81 -0.33 2.97 1.43 -0.25 -1.03 118.68 126.03 1oge s LEU 125 Ca -0.04 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 1oge s LEU 125 Cb -0.15 -2.04 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1oge s LEU 125 CO 0.02 -0.01 0.21 -1.58 0.23 0.00 0.00 176.35 175.21 1oge s GLN 126 N 1.52 3.45 0.25 1.70 0.74 -0.30 -1.95 119.66 125.06 1oge s GLN 126 Ca 0.06 -0.67 -0.31 0.00 0.05 0.00 0.00 55.36 54.50 1oge s GLN 126 Cb -0.15 -3.72 -0.13 0.00 1.10 0.00 0.00 33.01 30.10 1oge s GLN 126 CO 0.07 -0.43 1.39 0.00 -0.55 0.00 0.00 175.29 175.76 1oge n ALA 127 N 5.06 1.11 -2.54 1.58 0.00 0.37 -1.26 120.51 124.83 1oge n ALA 127 Ca -0.13 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1oge n ALA 127 Cb 0.50 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 1.97 2.11 3.34 0.00 0.00 0.20 -0.98 105.19 111.83 1oge n GLY 128 Ca 0.11 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 1oge n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oge s VAL 129 N 1.44 2.00 -2.16 1.61 0.11 -1.26 -4.42 120.40 117.72 1oge s VAL 129 Ca 0.00 -1.66 0.22 0.00 -2.93 0.00 0.00 61.98 57.61 1oge s VAL 129 Cb 0.00 -1.79 0.55 0.00 -1.53 0.00 0.00 36.38 33.61 1oge s VAL 129 CO 0.00 0.01 1.71 0.18 -3.33 0.00 0.00 175.10 173.68 1oge n LEU 130 N 0.98 0.78 0.00 2.54 4.77 -1.26 -5.07 117.00 119.74 1oge n LEU 130 Ca -0.19 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1oge n LEU 130 Cb 0.53 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1oge n LEU 130 CO 0.23 0.16 0.00 2.22 -1.33 0.00 0.00 177.39 178.66