#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1odx s GLN 2 N 0.00 3.29 -0.11 -0.52 0.74 -1.26 -5.11 119.66 116.69 1odx s GLN 2 Ca 0.00 -0.64 0.01 0.00 0.05 0.00 0.00 55.36 54.78 1odx s GLN 2 Cb 0.00 -2.66 0.02 0.00 1.10 0.00 0.00 33.01 31.47 1odx s GLN 2 CO 0.00 0.31 -0.14 0.42 -0.55 0.00 0.00 175.29 175.33 1odx s ILE 3 N 0.12 1.41 0.34 -2.34 1.01 -1.26 -5.14 121.20 115.35 1odx s ILE 3 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1odx s ILE 3 Cb -0.15 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1odx s ILE 3 CO 0.04 0.43 0.56 0.42 0.00 0.00 0.00 174.94 176.39 1odx s THR 4 N 1.16 5.09 -0.36 2.92 -4.23 -1.26 -5.03 115.64 113.92 1odx s THR 4 Ca -0.03 -0.34 0.07 0.00 -1.18 0.00 0.00 61.69 60.20 1odx s THR 4 Cb -0.14 -3.84 0.61 0.00 1.34 0.00 0.00 72.50 70.47 1odx s THR 4 CO -0.04 -0.54 1.71 0.18 -0.54 0.00 0.00 174.62 175.40 1odx n LEU 5 N -1.67 5.55 0.26 4.79 4.77 -1.26 -4.39 117.00 125.05 1odx n LEU 5 Ca -0.04 -3.61 0.16 0.00 -0.03 0.00 0.00 56.01 52.49 1odx n LEU 5 Cb 0.56 -0.74 0.56 0.00 -2.33 0.00 0.00 43.42 41.47 1odx n LEU 5 CO 0.49 1.09 0.94 -0.50 -1.33 0.00 0.00 177.39 178.08 1odx h TRP 6 N 1.23 0.00 -3.87 -1.77 4.06 -2.07 -3.44 115.95 110.10 1odx h TRP 6 Ca 0.41 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 61.09 1odx h TRP 6 Cb 2.29 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 30.30 1odx h TRP 6 CO 1.30 0.02 -0.66 -1.14 -3.56 0.00 0.00 178.44 174.40 1odx s GLN 7 N -3.57 1.09 0.17 0.49 0.74 -1.26 -5.11 119.66 112.22 1odx s GLN 7 Ca 0.02 -1.53 -0.33 0.00 0.05 0.00 0.00 55.36 53.57 1odx s GLN 7 Cb 0.08 -0.19 -0.14 0.00 1.10 0.00 0.00 33.01 33.87 1odx s GLN 7 CO 0.58 -0.16 1.58 0.54 -0.55 0.00 0.00 175.29 177.28 1odx n ARG 8 N -0.23 2.21 -2.30 1.67 1.74 -1.26 -4.86 116.66 113.63 1odx n ARG 8 Ca -0.06 0.79 -0.34 0.00 -0.77 0.00 0.00 57.85 57.47 1odx n ARG 8 Cb 0.63 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.47 1odx n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1odx s PRO 9 N 0.80 3.12 -0.10 5.56 0.04 -1.26 -4.97 135.00 138.19 1odx s PRO 9 Ca 0.77 -1.11 -0.06 0.00 0.04 0.00 0.00 61.00 60.64 1odx s PRO 9 Cb -0.66 -5.29 -0.04 0.00 0.04 0.00 0.00 34.50 28.55 1odx s PRO 9 CO 0.38 -2.99 0.13 -0.51 0.04 0.00 0.00 177.00 174.06 1odx s LEU 10 N 7.73 4.33 0.04 -3.56 1.43 -1.26 -1.41 118.68 125.98 1odx s LEU 10 Ca 0.60 0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 1odx s LEU 10 Cb -0.01 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1odx s LEU 10 CO 0.02 0.39 0.02 0.54 0.23 0.00 0.00 176.35 177.55 1odx s VAL 11 N -1.06 0.16 -0.12 -1.59 0.11 -0.26 -4.92 120.40 112.72 1odx s VAL 11 Ca 0.16 -1.34 -0.24 0.00 -2.93 0.00 0.00 61.98 57.63 1odx s VAL 11 Cb -0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 1odx s VAL 11 CO 0.06 -0.74 0.76 -0.89 -3.33 0.00 0.00 175.10 170.96 1odx s THR 12 N -2.90 4.96 0.25 5.04 2.01 -1.26 0.08 115.64 123.82 1odx s THR 12 Ca -0.03 1.52 0.11 0.00 0.31 0.00 0.00 61.69 63.61 1odx s THR 12 Cb 0.01 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 1odx s THR 12 CO -0.06 0.13 -0.13 0.27 -0.69 0.00 0.00 174.62 174.14 1odx s ILE 13 N 1.53 2.86 -0.17 1.82 -4.36 0.17 -1.04 121.20 122.01 1odx s ILE 13 Ca 0.37 -2.12 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1odx s ILE 13 Cb -0.17 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.09 1odx s ILE 13 CO 0.15 -0.33 -0.09 -0.75 0.24 0.00 0.00 174.94 174.17 1odx s LYS 14 N -3.39 1.78 -0.09 0.37 2.20 0.51 -1.01 119.74 120.12 1odx s LYS 14 Ca 0.29 -0.60 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 1odx s LYS 14 Cb -0.06 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.18 1odx s LYS 14 CO 0.16 -0.38 -0.06 0.96 -0.36 0.00 0.00 175.35 175.67 1odx s ILE 15 N 1.54 0.85 -1.34 5.43 -5.25 -0.70 -1.52 121.20 120.21 1odx s ILE 15 Ca 0.01 -0.21 -0.04 0.00 -0.99 0.00 0.00 60.65 59.42 1odx s ILE 15 Cb -0.15 -0.89 0.02 0.00 2.95 0.00 0.00 42.46 44.40 1odx s ILE 15 CO -0.08 0.33 0.91 0.61 -1.79 0.00 0.00 174.94 174.91 1odx n GLY 16 N 4.75 -0.39 3.20 6.27 0.00 -1.26 -1.94 105.19 115.82 1odx n GLY 16 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1odx n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odx n GLY 17 N -1.57 0.38 3.72 -0.02 0.00 -1.26 -4.99 105.19 101.45 1odx n GLY 17 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1odx n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1odx s GLN 18 N -0.73 2.82 -0.21 1.61 -0.21 -0.82 -5.12 119.66 117.00 1odx s GLN 18 Ca 0.00 -0.65 -0.11 0.00 0.02 0.00 0.00 55.36 54.63 1odx s GLN 18 Cb 0.00 -2.69 -0.05 0.00 1.00 0.00 0.00 33.01 31.27 1odx s GLN 18 CO 0.00 0.60 0.17 -0.51 -2.12 0.00 0.00 175.29 173.43 1odx s LEU 19 N -1.91 4.18 0.09 2.90 2.01 -1.26 -1.72 118.68 122.96 1odx s LEU 19 Ca 0.23 0.23 0.01 0.00 0.01 0.00 0.00 54.13 54.61 1odx s LEU 19 Cb -0.12 -2.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.90 1odx s LEU 19 CO 0.15 0.12 -0.06 -0.54 1.01 0.00 0.00 176.35 177.03 1odx s LYS 20 N 0.64 0.78 -0.10 1.70 3.01 -0.18 -4.99 119.74 120.61 1odx s LYS 20 Ca 0.09 -1.28 -0.03 0.00 -1.01 0.00 0.00 55.97 53.74 1odx s LYS 20 Cb -0.12 -0.15 -0.03 0.00 -1.01 0.00 0.00 37.83 36.52 1odx s LYS 20 CO 0.01 -0.03 0.02 -1.21 0.51 0.00 0.00 175.35 174.66 1odx s GLU 21 N -3.71 3.14 0.15 1.68 2.02 -1.26 0.46 118.70 121.18 1odx s GLU 21 Ca 0.10 -0.37 -0.00 0.00 0.02 0.00 0.00 54.97 54.72 1odx s GLU 21 Cb 0.05 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.35 1odx s GLU 21 CO -0.05 0.67 0.05 0.00 0.02 0.00 0.00 175.26 175.95 1odx s ALA 22 N -0.78 1.03 -0.19 5.21 0.00 0.11 -4.66 121.76 122.48 1odx s ALA 22 Ca 0.12 -1.53 -0.10 0.00 0.00 0.00 0.00 51.96 50.45 1odx s ALA 22 Cb -0.12 0.82 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1odx s ALA 22 CO 0.02 -0.45 0.14 -1.17 0.00 0.00 0.00 175.76 174.30 1odx s LEU 23 N -3.09 4.22 -0.47 0.00 0.20 -0.25 -1.10 118.68 118.18 1odx s LEU 23 Ca 0.25 0.26 -0.29 0.00 0.69 0.00 0.00 54.13 55.05 1odx s LEU 23 Cb 0.07 -2.11 0.02 0.00 -0.43 0.00 0.00 46.19 43.74 1odx s LEU 23 CO 0.03 0.19 1.31 -0.76 -0.29 0.00 0.00 176.35 176.83 1odx s LEU 24 N 0.29 3.56 -0.38 -0.68 1.02 -0.50 0.34 118.68 122.34 1odx s LEU 24 Ca 0.09 0.59 0.03 0.00 0.02 0.00 0.00 54.13 54.86 1odx s LEU 24 Cb -0.11 -3.45 0.11 0.00 0.02 0.00 0.00 46.19 42.75 1odx s LEU 24 CO -0.01 -1.42 0.11 -0.62 0.02 0.00 0.00 176.35 174.42 1odx s ASP 25 N 3.49 4.50 0.00 2.29 -1.08 -0.72 -4.78 116.67 120.37 1odx s ASP 25 Ca 0.55 -2.28 0.15 0.00 -0.52 0.00 0.00 52.55 50.46 1odx s ASP 25 Cb -0.11 -1.48 0.72 0.00 -1.46 0.00 0.00 42.92 40.59 1odx s ASP 25 CO 0.31 -0.35 1.47 0.35 0.52 0.00 0.00 175.17 177.47 1odx n THR 26 N 4.08 0.76 0.82 1.71 -2.24 -1.26 -2.11 114.28 116.03 1odx n THR 26 Ca 0.04 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1odx n THR 26 Cb 0.40 -0.93 0.19 0.00 -2.10 0.00 0.00 70.33 67.88 1odx n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1odx n GLY 27 N 0.05 1.14 3.52 3.38 0.00 -1.26 -4.85 105.19 107.17 1odx n GLY 27 Ca 0.06 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 1odx n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odx s ALA 28 N -1.82 3.38 0.19 4.61 0.00 -0.89 -4.98 121.76 122.25 1odx s ALA 28 Ca 0.33 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1odx s ALA 28 Cb 0.21 -2.35 0.10 0.00 0.00 0.00 0.00 23.12 21.08 1odx s ALA 28 CO 0.31 -0.59 1.56 -0.44 0.00 0.00 0.00 175.76 176.59 1odx h ASP 29 N 8.33 0.84 -2.03 0.00 3.32 -1.88 0.78 116.42 125.77 1odx h ASP 29 Ca -0.36 -0.35 -0.57 0.00 0.02 0.00 0.00 57.03 55.78 1odx h ASP 29 Cb 1.18 -0.23 -0.10 0.00 0.22 0.00 0.00 39.33 40.40 1odx h ASP 29 CO 0.57 1.09 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.75 1odx s ASP 30 N -6.80 4.41 -0.17 6.45 1.01 -1.26 -2.09 116.67 118.21 1odx s ASP 30 Ca -0.10 -0.81 -0.08 0.00 0.71 0.00 0.00 52.55 52.28 1odx s ASP 30 Cb 0.12 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 43.32 1odx s ASP 30 CO 0.85 -0.15 0.08 -0.89 0.21 0.00 0.00 175.17 175.28 1odx s THR 31 N -2.42 4.99 -0.03 -1.27 2.01 -1.26 -3.18 115.64 114.47 1odx s THR 31 Ca 0.34 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1odx s THR 31 Cb -0.03 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.27 1odx s THR 31 CO 0.20 0.49 0.01 0.54 -0.69 0.00 0.00 174.62 175.16 1odx s VAL 32 N 0.11 0.16 0.12 3.82 0.11 -0.77 -2.18 120.40 121.77 1odx s VAL 32 Ca 0.06 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.31 1odx s VAL 32 Cb -0.12 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1odx s VAL 32 CO 0.00 0.15 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.96 1odx s LEU 33 N 1.17 2.34 0.96 2.54 1.43 -0.48 -0.69 118.68 125.96 1odx s LEU 33 Ca -0.08 -0.74 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 1odx s LEU 33 Cb -0.13 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.26 1odx s LEU 33 CO -0.02 0.03 0.37 -0.62 0.23 0.00 0.00 176.35 176.34 1odx n GLU 34 N 0.85 -0.38 -1.73 1.70 1.02 -1.25 -1.81 120.64 119.03 1odx n GLU 34 Ca -0.18 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.47 1odx n GLU 34 Cb 0.55 -1.84 -0.01 0.00 -0.02 0.00 0.00 31.44 30.12 1odx n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1odx n GLU 35 N -1.69 2.51 -3.47 3.49 4.07 -0.92 -4.43 120.64 120.19 1odx n GLU 35 Ca 0.06 0.89 -0.14 0.00 -0.06 0.00 0.00 57.16 57.90 1odx n GLU 35 Cb 0.54 -2.61 -0.04 0.00 -0.06 0.00 0.00 31.44 29.28 1odx n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1odx s MET 36 N -1.12 1.15 -0.65 5.31 0.23 -1.26 -5.01 119.30 117.94 1odx s MET 36 Ca 0.60 -0.14 -0.26 0.00 -1.03 0.00 0.00 55.69 54.87 1odx s MET 36 Cb -0.53 0.53 0.04 0.00 -1.53 0.00 0.00 34.83 33.35 1odx s MET 36 CO 0.55 -0.44 1.12 0.45 -2.03 0.00 0.00 175.02 174.67 1odx s SER 37 N -2.03 6.25 -0.06 -1.18 0.15 -1.26 -4.96 113.70 110.61 1odx s SER 37 Ca -0.04 -0.46 0.05 0.00 0.70 0.00 0.00 55.95 56.20 1odx s SER 37 Cb -0.01 -2.50 -0.00 0.00 -1.71 0.00 0.00 66.02 61.80 1odx s SER 37 CO -0.03 -1.56 -0.20 -0.22 1.20 0.00 0.00 173.24 172.44 1odx s LEU 38 N 4.83 1.95 0.33 3.45 2.96 -1.26 -4.99 118.68 125.95 1odx s LEU 38 Ca 0.32 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1odx s LEU 38 Cb -0.11 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.39 1odx s LEU 38 CO 0.17 0.17 0.70 -2.16 -1.32 0.00 0.00 176.35 173.90 1odx s PRO 39 N 0.08 3.88 0.00 0.98 0.04 -1.26 -5.00 135.00 133.71 1odx s PRO 39 Ca -0.06 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1odx s PRO 39 Cb -0.13 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1odx s PRO 39 CO 0.03 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.62 1odx n GLY 40 N -0.63 0.04 3.81 0.56 0.00 -1.26 -5.00 105.19 102.71 1odx n GLY 40 Ca 0.02 -2.29 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 1odx n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1odx s ARG 41 N -0.34 3.88 0.29 1.61 3.00 -1.26 -5.08 118.95 121.06 1odx s ARG 41 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 55.73 55.87 1odx s ARG 41 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 34.95 31.60 1odx s ARG 41 CO 0.00 0.55 -0.01 1.67 0.00 0.00 0.00 175.30 177.51 1odx s TRP 42 N -0.48 1.91 -0.06 -0.53 1.48 -1.26 -4.66 118.94 115.35 1odx s TRP 42 Ca 0.17 -0.82 0.02 0.00 -1.06 0.00 0.00 56.10 54.42 1odx s TRP 42 Cb -0.14 -1.16 0.01 0.00 -1.16 0.00 0.00 33.47 31.03 1odx s TRP 42 CO 0.06 0.15 -0.12 0.15 -4.06 0.00 0.00 176.95 173.13 1odx s LYS 43 N -3.80 1.65 0.73 3.25 1.02 0.71 -4.84 119.74 118.45 1odx s LYS 43 Ca 0.32 -0.42 -0.15 0.00 0.02 0.00 0.00 55.97 55.74 1odx s LYS 43 Cb 0.06 -1.38 0.04 0.00 -0.52 0.00 0.00 37.83 36.03 1odx s LYS 43 CO 0.13 0.05 1.22 -1.25 -0.92 0.00 0.00 175.35 174.57 1odx s PRO 44 N 0.59 2.14 -0.09 -1.68 0.04 -1.26 0.43 135.00 135.16 1odx s PRO 44 Ca -0.13 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 1odx s PRO 44 Cb -0.15 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.67 1odx s PRO 44 CO 0.03 -1.84 0.90 0.21 0.04 0.00 0.00 177.00 176.34 1odx s LYS 45 N -3.85 0.75 -0.02 4.56 2.20 0.50 -4.79 119.74 119.09 1odx s LYS 45 Ca 0.75 0.03 0.05 0.00 -0.36 0.00 0.00 55.97 56.44 1odx s LYS 45 Cb -0.30 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.34 1odx s LYS 45 CO 0.45 -0.27 -0.14 -1.64 -0.36 0.00 0.00 175.35 173.39 1odx s MET 46 N -1.72 2.39 0.07 4.03 -1.94 -1.26 0.14 119.30 121.01 1odx s MET 46 Ca -0.02 -0.78 0.05 0.00 -1.71 0.00 0.00 55.69 53.23 1odx s MET 46 Cb -0.01 -2.34 -0.03 0.00 2.01 0.00 0.00 34.83 34.47 1odx s MET 46 CO -0.00 0.60 -0.13 0.96 -0.01 0.00 0.00 175.02 176.44 1odx s ILE 47 N -0.83 1.04 -0.18 2.53 -4.36 -0.53 -4.95 121.20 113.92 1odx s ILE 47 Ca 0.13 -1.33 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 1odx s ILE 47 Cb -0.11 -1.06 -0.01 0.00 1.25 0.00 0.00 42.46 42.53 1odx s ILE 47 CO 0.03 -0.28 -0.07 -0.83 0.24 0.00 0.00 174.94 174.03 1odx s GLY 48 N -1.81 1.61 0.33 6.27 0.00 -1.26 -1.48 107.32 110.97 1odx s GLY 48 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1odx s GLY 48 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1odx n GLY 49 N 4.20 3.79 0.38 0.20 0.00 -1.02 -5.02 105.19 107.72 1odx n GLY 49 Ca -0.18 -2.31 0.16 0.00 0.00 0.00 0.00 46.02 43.68 1odx n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1odx h ILE 50 N 1.16 0.76 -0.64 -0.61 -0.00 -2.04 -2.89 117.51 113.25 1odx h ILE 50 Ca -0.27 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 1odx h ILE 50 Cb 0.82 0.20 0.00 0.00 -0.00 0.00 0.00 36.82 37.84 1odx h ILE 50 CO 0.45 0.09 0.00 0.61 -0.00 0.00 0.00 178.15 179.30 1odx n GLY 51 N -1.48 2.67 0.00 0.16 0.00 -1.26 -5.07 105.19 100.21 1odx n GLY 51 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1odx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1odx n GLY 52 N 1.27 0.76 3.92 -0.02 0.00 -1.09 -5.12 105.19 104.90 1odx n GLY 52 Ca 0.23 -2.05 -0.26 0.00 0.00 0.00 0.00 46.02 43.94 1odx n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1odx s PHE 53 N -1.52 3.49 -0.04 1.61 0.40 -1.26 -2.44 117.98 118.22 1odx s PHE 53 Ca 0.00 0.45 -0.03 0.00 -0.60 0.00 0.00 56.93 56.75 1odx s PHE 53 Cb 0.00 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.58 1odx s PHE 53 CO 0.00 0.20 0.10 0.96 0.70 0.00 0.00 175.22 177.17 1odx s ILE 54 N -2.13 -0.00 0.07 0.64 -4.36 -0.55 -4.96 121.20 109.91 1odx s ILE 54 Ca 0.41 0.01 -0.29 0.00 -0.26 0.00 0.00 60.65 60.52 1odx s ILE 54 Cb -0.10 -0.14 -0.05 0.00 1.25 0.00 0.00 42.46 43.41 1odx s ILE 54 CO 0.32 0.00 0.93 -0.54 0.24 0.00 0.00 174.94 175.89 1odx s LYS 55 N 0.09 4.63 0.24 0.37 3.01 -1.26 -1.45 119.74 125.37 1odx s LYS 55 Ca -0.00 1.37 0.06 0.00 -1.01 0.00 0.00 55.97 56.39 1odx s LYS 55 Cb -0.01 -3.39 -0.05 0.00 -1.01 0.00 0.00 37.83 33.36 1odx s LYS 55 CO -0.00 0.17 -0.07 0.14 0.51 0.00 0.00 175.35 176.10 1odx s VAL 56 N 0.21 1.47 -0.24 3.17 -7.23 0.38 -4.56 120.40 113.60 1odx s VAL 56 Ca 0.46 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1odx s VAL 56 Cb -0.22 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.40 1odx s VAL 56 CO 0.28 -0.41 0.07 -0.13 -0.31 0.00 0.00 175.10 174.60 1odx s ARG 57 N -3.75 3.71 -0.39 4.82 0.52 0.26 -0.37 118.95 123.75 1odx s ARG 57 Ca 0.27 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.81 1odx s ARG 57 Cb 0.03 -3.30 0.01 0.00 0.52 0.00 0.00 34.95 32.21 1odx s ARG 57 CO 0.09 -0.11 0.66 -0.65 0.02 0.00 0.00 175.30 175.31 1odx s GLN 58 N 1.40 3.55 -0.15 3.54 -1.52 0.17 -0.23 119.66 126.41 1odx s GLN 58 Ca 0.05 -0.07 0.01 0.00 -1.95 0.00 0.00 55.36 53.40 1odx s GLN 58 Cb -0.15 -3.86 0.00 0.00 -0.22 0.00 0.00 33.01 28.78 1odx s GLN 58 CO 0.04 -0.85 -0.17 0.71 -0.25 0.00 0.00 175.29 174.77 1odx s TYR 59 N 2.81 2.76 0.28 0.91 1.51 -0.79 -0.21 117.35 124.62 1odx s TYR 59 Ca 0.25 -1.10 0.07 0.00 -1.01 0.00 0.00 57.07 55.27 1odx s TYR 59 Cb -0.14 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1odx s TYR 59 CO 0.17 -0.50 0.29 -0.51 -1.11 0.00 0.00 175.55 173.89 1odx s ASP 60 N 0.82 5.75 -1.19 2.29 1.01 -1.26 -0.81 116.67 123.27 1odx s ASP 60 Ca -0.06 -0.21 -0.31 0.00 0.71 0.00 0.00 52.55 52.69 1odx s ASP 60 Cb -0.15 -1.42 0.03 0.00 1.01 0.00 0.00 42.92 42.39 1odx s ASP 60 CO -0.00 -0.16 0.72 0.00 0.21 0.00 0.00 175.17 175.93 1odx n GLN 61 N -1.34 -0.52 -4.06 8.23 6.02 -1.14 -4.90 117.38 119.67 1odx n GLN 61 Ca -0.06 0.19 -0.35 0.00 -0.01 0.00 0.00 57.00 56.77 1odx n GLN 61 Cb 0.58 -2.99 -0.09 0.00 1.02 0.00 0.00 30.24 28.76 1odx n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1odx s ILE 62 N -3.51 4.83 -0.04 5.09 -1.09 0.34 -4.84 121.20 121.99 1odx s ILE 62 Ca 0.49 -0.03 -0.29 0.00 -2.23 0.00 0.00 60.65 58.59 1odx s ILE 62 Cb -0.24 -3.13 -0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1odx s ILE 62 CO 0.94 0.52 0.95 -0.22 -1.23 0.00 0.00 174.94 175.90 1odx s LEU 63 N -0.18 4.33 -0.07 2.97 2.96 -1.26 -2.12 118.68 125.31 1odx s LEU 63 Ca 0.08 1.56 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1odx s LEU 63 Cb -0.12 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 43.09 1odx s LEU 63 CO 0.01 -0.29 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.01 1odx s ILE 64 N 1.24 1.10 -0.28 6.68 1.01 -0.43 -4.39 121.20 126.13 1odx s ILE 64 Ca 0.49 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 1odx s ILE 64 Cb -0.20 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1odx s ILE 64 CO 0.24 0.35 0.01 -1.61 0.00 0.00 0.00 174.94 173.93 1odx s GLU 65 N 0.73 2.85 -0.29 2.79 2.02 -0.58 -0.72 118.70 125.51 1odx s GLU 65 Ca -0.13 -0.99 -0.05 0.00 0.02 0.00 0.00 54.97 53.82 1odx s GLU 65 Cb -0.16 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 30.92 1odx s GLU 65 CO 0.03 -0.46 0.04 0.42 0.02 0.00 0.00 175.26 175.30 1odx s ILE 66 N 1.38 3.54 -1.10 -1.63 1.01 0.12 -0.36 121.20 124.16 1odx s ILE 66 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1odx s ILE 66 Cb -0.17 -2.87 0.02 0.00 0.01 0.00 0.00 42.46 39.45 1odx s ILE 66 CO -0.01 0.06 0.18 0.00 0.00 0.00 0.00 174.94 175.16 1odx n GLY 68 N -0.94 3.23 3.73 0.00 0.00 -1.26 -5.05 105.19 104.91 1odx n GLY 68 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1odx n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1odx s HIS 69 N -2.60 3.71 -0.08 1.61 4.02 -0.50 -5.03 115.29 116.42 1odx s HIS 69 Ca 0.00 1.55 -0.24 0.00 1.02 0.00 0.00 55.06 57.39 1odx s HIS 69 Cb 0.00 -2.92 -0.03 0.00 -1.02 0.00 0.00 32.58 28.61 1odx s HIS 69 CO 0.00 0.18 0.73 0.15 1.02 0.00 0.00 174.74 176.81 1odx s LYS 70 N 0.29 4.41 0.07 1.40 1.02 -1.26 0.14 119.74 125.82 1odx s LYS 70 Ca 0.43 0.91 0.03 0.00 0.02 0.00 0.00 55.97 57.35 1odx s LYS 70 Cb -0.21 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 1odx s LYS 70 CO 0.25 -0.01 -0.09 0.95 -0.92 0.00 0.00 175.35 175.53 1odx s THR 71 N 1.04 0.71 -0.05 2.17 -4.23 0.10 -4.99 115.64 110.38 1odx s THR 71 Ca 0.38 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.51 1odx s THR 71 Cb -0.18 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.63 1odx s THR 71 CO 0.18 -0.52 -0.13 -0.63 -0.54 0.00 0.00 174.62 172.98 1odx s ILE 72 N -2.10 1.15 -0.01 2.99 1.01 -1.26 -1.31 121.20 121.68 1odx s ILE 72 Ca -0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.02 1odx s ILE 72 Cb -0.05 -1.03 0.03 0.00 0.01 0.00 0.00 42.46 41.42 1odx s ILE 72 CO -0.01 0.35 0.43 0.61 0.00 0.00 0.00 174.94 176.32 1odx n GLY 73 N 3.51 0.50 3.70 6.18 0.00 -0.90 -4.89 105.19 113.30 1odx n GLY 73 Ca -0.21 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1odx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1odx s THR 74 N -2.11 4.95 -0.06 2.61 2.01 -1.26 -0.50 115.64 121.27 1odx s THR 74 Ca 0.10 1.64 0.04 0.00 0.31 0.00 0.00 61.69 63.78 1odx s THR 74 Cb -0.00 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 1odx s THR 74 CO -0.00 0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.20 1odx s VAL 75 N 1.35 1.58 -0.11 3.82 1.01 0.01 -4.57 120.40 123.48 1odx s VAL 75 Ca 0.41 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1odx s VAL 75 Cb -0.18 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1odx s VAL 75 CO 0.18 0.45 0.07 -0.76 0.00 0.00 0.00 175.10 175.04 1odx s LEU 76 N 0.16 3.96 -0.03 3.92 1.43 -0.93 -1.88 118.68 125.32 1odx s LEU 76 Ca -0.08 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1odx s LEU 76 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.12 1odx s LEU 76 CO 0.04 0.36 -0.25 -0.69 0.23 0.00 0.00 176.35 176.04 1odx s VAL 77 N -0.77 1.97 0.00 -1.59 1.01 0.68 -1.38 120.40 120.32 1odx s VAL 77 Ca 0.13 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1odx s VAL 77 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1odx s VAL 77 CO 0.03 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1odx n GLY 78 N 2.58 0.64 3.45 4.51 0.00 -0.75 -0.58 105.19 115.05 1odx n GLY 78 Ca -0.16 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1odx n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1odx s PRO 79 N -1.01 3.23 0.03 1.61 0.04 -1.26 -2.17 135.00 135.48 1odx s PRO 79 Ca 0.00 -1.06 0.06 0.00 0.04 0.00 0.00 61.00 60.03 1odx s PRO 79 Cb 0.00 -4.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.10 1odx s PRO 79 CO 0.00 -1.82 -0.17 -0.08 0.04 0.00 0.00 177.00 174.97 1odx s THR 80 N 3.75 1.38 -0.04 1.26 -1.32 -1.26 -5.02 115.64 114.39 1odx s THR 80 Ca 0.25 -1.02 0.30 0.00 -1.21 0.00 0.00 61.69 60.01 1odx s THR 80 Cb -0.14 -1.21 0.31 0.00 -1.51 0.00 0.00 72.50 69.96 1odx s THR 80 CO 0.05 0.17 1.89 1.55 -2.21 0.00 0.00 174.62 176.07 1odx h PRO 81 N 5.08 0.00 -2.65 7.08 0.13 -1.98 -3.42 132.00 136.23 1odx h PRO 81 Ca -0.39 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 1odx h PRO 81 Cb 1.17 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.10 1odx h PRO 81 CO 0.45 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 178.14 1odx s ALA 82 N -3.63 -1.17 -0.23 -0.56 0.00 -1.26 -5.10 121.76 109.80 1odx s ALA 82 Ca -0.00 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 1odx s ALA 82 Cb 0.09 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1odx s ALA 82 CO 0.38 -0.33 1.03 -0.80 0.00 0.00 0.00 175.76 176.04 1odx s ASN 83 N -1.36 7.09 -0.13 0.00 0.01 -1.26 -4.64 114.94 114.65 1odx s ASN 83 Ca -0.12 1.37 0.01 0.00 -0.71 0.00 0.00 52.86 53.42 1odx s ASN 83 Cb -0.03 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1odx s ASN 83 CO 0.06 -0.66 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.18 1odx s ILE 84 N 3.17 2.58 -0.39 0.60 1.01 0.14 -1.09 121.20 127.21 1odx s ILE 84 Ca 0.44 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 1odx s ILE 84 Cb -0.15 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.27 1odx s ILE 84 CO 0.06 0.54 0.42 -0.63 0.00 0.00 0.00 174.94 175.33 1odx s ILE 85 N 0.47 5.10 0.04 2.92 -1.09 0.15 -1.85 121.20 126.95 1odx s ILE 85 Ca -0.12 -0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1odx s ILE 85 Cb -0.16 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.76 1odx s ILE 85 CO 0.05 -0.29 0.05 0.61 -1.23 0.00 0.00 174.94 174.13 1odx n GLY 86 N 5.02 1.56 0.35 6.18 0.00 -1.19 -1.75 105.19 115.35 1odx n GLY 86 Ca -0.07 -2.08 0.15 0.00 0.00 0.00 0.00 46.02 44.01 1odx n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1odx h ARG 87 N 0.00 0.20 -1.01 1.61 3.08 0.63 -2.49 114.38 116.40 1odx h ARG 87 Ca -0.02 -0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.13 1odx h ARG 87 Cb 0.07 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 1odx h ARG 87 CO 0.02 0.13 0.64 -2.95 -1.07 0.00 0.00 179.97 176.74 1odx h ASN 88 N 0.20 0.96 0.20 7.04 -1.07 -1.67 -2.28 115.58 118.95 1odx h ASN 88 Ca 0.24 0.04 -0.32 0.00 0.07 0.00 0.00 56.30 56.32 1odx h ASN 88 Cb 0.66 -0.16 -0.06 0.00 -2.07 0.00 0.00 38.32 36.69 1odx h ASN 88 CO -0.04 0.54 -2.10 0.18 0.07 0.00 0.00 177.43 176.07 1odx n LEU 89 N -4.59 0.33 0.07 6.14 4.77 -0.96 -4.26 117.00 118.50 1odx n LEU 89 Ca 0.18 0.16 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1odx n LEU 89 Cb 0.31 0.36 0.49 0.00 -2.33 0.00 0.00 43.42 42.24 1odx n LEU 89 CO 0.29 0.43 1.14 -0.07 -1.33 0.00 0.00 177.39 177.85 1odx h LEU 90 N 0.00 0.34 -0.91 2.23 3.38 -1.34 0.15 115.31 119.15 1odx h LEU 90 Ca -0.43 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 1odx h LEU 90 Cb 2.10 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.75 1odx h LEU 90 CO 0.05 0.24 -0.06 0.71 0.09 0.00 0.00 178.44 179.47 1odx h THR 91 N 0.40 1.25 -0.30 0.22 1.35 -1.59 -1.63 112.91 112.61 1odx h THR 91 Ca 0.11 -1.07 -0.06 0.00 -0.55 0.00 0.00 66.41 64.85 1odx h THR 91 Cb -0.02 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1odx h THR 91 CO -0.02 0.37 -0.07 1.56 -0.25 0.00 0.00 175.52 177.11 1odx h GLN 92 N 0.67 0.47 -0.00 4.72 4.20 -1.15 -2.07 115.11 121.96 1odx h GLN 92 Ca 0.12 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1odx h GLN 92 Cb 0.51 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1odx h GLN 92 CO 0.03 0.55 -0.16 0.44 -0.67 0.00 0.00 178.83 179.02 1odx n ILE 93 N -4.25 0.00 -1.97 2.54 -5.35 -1.08 -4.91 119.36 104.34 1odx n ILE 93 Ca 0.01 -0.05 -0.05 0.00 -0.27 0.00 0.00 62.75 62.39 1odx n ILE 93 Cb 0.28 -0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.12 1odx n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1odx n GLY 94 N 1.34 0.25 3.73 3.28 0.00 -0.78 -5.00 105.19 108.01 1odx n GLY 94 Ca 0.12 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1odx n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1odx s THR 96 N 0.23 1.47 -0.14 0.00 -4.23 -1.26 -4.79 115.64 106.92 1odx s THR 96 Ca 0.58 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1odx s THR 96 Cb -0.37 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.75 1odx s THR 96 CO 0.37 -0.44 0.09 -0.22 -0.54 0.00 0.00 174.62 173.88 1odx s LEU 97 N -2.65 4.03 -0.00 4.79 2.96 -1.26 -5.09 118.68 121.45 1odx s LEU 97 Ca 0.12 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 1odx s LEU 97 Cb -0.04 -1.99 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1odx s LEU 97 CO 0.04 0.31 -0.06 0.20 -1.32 0.00 0.00 176.35 175.53 1odx s ASN 98 N -0.46 0.66 0.00 3.68 0.01 -1.26 -5.29 114.94 112.29 1odx s ASN 98 Ca 0.11 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 1odx s ASN 98 Cb -0.12 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1odx s ASN 98 CO 0.02 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.88