#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axa s GLN 2 N 0.00 3.40 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.75 1axa s GLN 2 Ca 0.00 -0.62 -0.06 0.00 0.05 0.00 0.00 55.36 54.73 1axa s GLN 2 Cb 0.00 -2.97 -0.02 0.00 1.10 0.00 0.00 33.01 31.11 1axa s GLN 2 CO 0.00 -0.14 0.03 0.42 -0.55 0.00 0.00 175.29 175.05 1axa s ILE 3 N 1.32 3.97 0.45 -2.34 1.01 -1.26 -5.09 121.20 119.25 1axa s ILE 3 Ca 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1axa s ILE 3 Cb -0.14 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1axa s ILE 3 CO -0.02 0.38 0.72 0.42 0.00 0.00 0.00 174.94 176.43 1axa s THR 4 N 1.49 4.87 -1.04 2.92 -4.23 -1.26 -5.02 115.64 113.36 1axa s THR 4 Ca 0.06 -0.04 0.17 0.00 -1.18 0.00 0.00 61.69 60.70 1axa s THR 4 Cb -0.15 -3.83 0.64 0.00 1.34 0.00 0.00 72.50 70.51 1axa s THR 4 CO 0.01 -0.72 1.56 0.18 -0.54 0.00 0.00 174.62 175.10 1axa n LEU 5 N -2.13 4.39 0.13 4.79 4.77 -1.26 -4.47 117.00 123.22 1axa n LEU 5 Ca -0.01 -2.43 0.04 0.00 -0.03 0.00 0.00 56.01 53.59 1axa n LEU 5 Cb 0.56 -0.52 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 1axa n LEU 5 CO 0.52 0.80 1.01 -0.50 -1.33 0.00 0.00 177.39 177.89 1axa h TRP 6 N 3.58 0.25 -2.50 -1.77 4.06 -2.06 -3.42 115.95 114.09 1axa h TRP 6 Ca 0.00 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.42 1axa h TRP 6 Cb 1.33 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 29.28 1axa h TRP 6 CO 0.65 0.25 -0.68 -0.65 -3.56 0.00 0.00 178.44 174.45 1axa s GLN 7 N -5.02 1.60 0.16 0.49 -1.52 -1.26 -5.10 119.66 109.00 1axa s GLN 7 Ca -0.06 -1.81 -0.34 0.00 -1.95 0.00 0.00 55.36 51.20 1axa s GLN 7 Cb 0.16 -1.28 -0.15 0.00 -0.22 0.00 0.00 33.01 31.53 1axa s GLN 7 CO 0.71 0.07 1.44 0.54 -0.25 0.00 0.00 175.29 177.80 1axa n ARG 8 N -0.62 1.75 -2.64 2.91 1.74 -1.26 -4.87 116.66 113.67 1axa n ARG 8 Ca -0.05 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 1axa n ARG 8 Cb 0.63 -2.32 -0.03 0.00 -1.02 0.00 0.00 32.46 29.73 1axa n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1axa s PRO 9 N 0.42 3.51 -0.04 5.56 0.04 -1.26 -4.95 135.00 138.28 1axa s PRO 9 Ca 0.78 -1.09 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 1axa s PRO 9 Cb -0.77 -5.05 -0.04 0.00 0.04 0.00 0.00 34.50 28.69 1axa s PRO 9 CO 0.44 -2.10 0.13 -0.51 0.04 0.00 0.00 177.00 175.00 1axa s LEU 10 N 4.63 4.19 0.13 -3.56 1.43 -1.26 -1.03 118.68 123.21 1axa s LEU 10 Ca 0.41 0.31 -0.02 0.00 -1.03 0.00 0.00 54.13 53.79 1axa s LEU 10 Cb -0.03 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1axa s LEU 10 CO -0.05 0.31 0.09 0.54 0.23 0.00 0.00 176.35 177.47 1axa s VAL 11 N -1.19 0.10 -0.15 -1.59 0.11 -0.27 -4.96 120.40 112.44 1axa s VAL 11 Ca 0.22 -1.81 -0.13 0.00 -2.93 0.00 0.00 61.98 57.33 1axa s VAL 11 Cb -0.12 -1.99 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1axa s VAL 11 CO 0.13 -0.45 0.27 -0.89 -3.33 0.00 0.00 175.10 170.82 1axa s THR 12 N -4.03 5.32 0.31 5.04 2.01 -1.26 -1.61 115.64 121.42 1axa s THR 12 Ca 0.22 0.49 0.11 0.00 0.31 0.00 0.00 61.69 62.82 1axa s THR 12 Cb 0.07 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1axa s THR 12 CO 0.01 0.42 -0.14 0.27 -0.69 0.00 0.00 174.62 174.50 1axa s ILE 13 N 0.25 2.40 -0.13 1.82 -4.36 0.14 -1.21 121.20 120.12 1axa s ILE 13 Ca 0.16 -2.29 -0.01 0.00 -0.26 0.00 0.00 60.65 58.25 1axa s ILE 13 Cb -0.13 -2.49 0.03 0.00 1.25 0.00 0.00 42.46 41.12 1axa s ILE 13 CO 0.04 -0.30 -0.04 -0.75 0.24 0.00 0.00 174.94 174.12 1axa s LYS 14 N -3.57 1.23 -0.08 0.37 2.20 -0.56 -0.79 119.74 118.53 1axa s LYS 14 Ca 0.31 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.61 1axa s LYS 14 Cb -0.01 -1.62 0.04 0.00 -1.51 0.00 0.00 37.83 34.73 1axa s LYS 14 CO 0.16 -0.35 0.20 -1.50 -0.36 0.00 0.00 175.35 173.50 1axa s ILE 15 N 1.76 -0.03 -1.52 5.43 2.07 0.35 -1.01 121.20 128.23 1axa s ILE 15 Ca 0.03 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 1axa s ILE 15 Cb -0.14 -0.31 0.00 0.00 0.13 0.00 0.00 42.46 42.14 1axa s ILE 15 CO -0.07 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 1axa n GLY 16 N 3.93 0.72 2.34 1.50 0.00 -1.26 -1.02 105.19 111.39 1axa n GLY 16 Ca -0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1axa n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axa n GLY 17 N -1.03 0.49 3.49 -0.02 0.00 -1.26 -5.02 105.19 101.84 1axa n GLY 17 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1axa n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1axa s GLN 18 N -0.30 2.63 -0.15 1.61 -0.21 -0.19 -5.12 119.66 117.93 1axa s GLN 18 Ca 0.00 -0.66 -0.18 0.00 0.02 0.00 0.00 55.36 54.54 1axa s GLN 18 Cb 0.00 -2.44 -0.04 0.00 1.00 0.00 0.00 33.01 31.53 1axa s GLN 18 CO 0.00 0.60 0.46 -0.51 -2.12 0.00 0.00 175.29 173.72 1axa s LEU 19 N -0.65 4.23 0.27 2.90 1.02 -1.26 -0.50 118.68 124.69 1axa s LEU 19 Ca 0.10 0.73 -0.02 0.00 0.02 0.00 0.00 54.13 54.95 1axa s LEU 19 Cb -0.11 -2.65 -0.02 0.00 0.02 0.00 0.00 46.19 43.43 1axa s LEU 19 CO 0.01 -0.04 0.32 -0.54 0.02 0.00 0.00 176.35 176.12 1axa s LYS 20 N 0.91 1.57 0.01 1.70 3.01 0.03 -4.99 119.74 121.98 1axa s LYS 20 Ca 0.24 -1.66 0.07 0.00 -1.01 0.00 0.00 55.97 53.61 1axa s LYS 20 Cb -0.15 0.37 -0.02 0.00 -1.01 0.00 0.00 37.83 37.02 1axa s LYS 20 CO 0.09 -0.60 -0.20 -1.21 0.51 0.00 0.00 175.35 173.94 1axa s GLU 21 N -3.69 1.51 0.06 1.68 2.02 -1.26 0.23 118.70 119.24 1axa s GLU 21 Ca 0.34 -0.80 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 1axa s GLU 21 Cb 0.03 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 1axa s GLU 21 CO 0.17 0.40 0.06 0.00 0.02 0.00 0.00 175.26 175.91 1axa s ALA 22 N -0.60 0.14 0.05 5.21 0.00 -0.63 -4.55 121.76 121.38 1axa s ALA 22 Ca 0.07 -0.85 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 1axa s ALA 22 Cb -0.08 0.32 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 1axa s ALA 22 CO 0.00 -0.39 0.57 -0.51 0.00 0.00 0.00 175.76 175.44 1axa s LEU 23 N -2.65 4.50 -0.31 0.00 1.43 -0.03 -1.12 118.68 120.51 1axa s LEU 23 Ca 0.03 1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 54.10 1axa s LEU 23 Cb 0.04 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.37 1axa s LEU 23 CO -0.09 0.23 0.89 -0.76 0.23 0.00 0.00 176.35 176.85 1axa s LEU 24 N -0.84 4.04 -0.32 1.79 1.02 -0.20 -1.16 118.68 123.02 1axa s LEU 24 Ca 0.29 0.81 0.01 0.00 0.02 0.00 0.00 54.13 55.27 1axa s LEU 24 Cb -0.19 -3.24 0.08 0.00 0.02 0.00 0.00 46.19 42.86 1axa s LEU 24 CO 0.18 -0.69 0.01 -0.62 0.02 0.00 0.00 176.35 175.25 1axa s ASP 25 N 1.61 4.77 0.23 2.29 -1.08 -0.14 -4.80 116.67 119.53 1axa s ASP 25 Ca 0.37 -1.71 0.23 0.00 -0.52 0.00 0.00 52.55 50.92 1axa s ASP 25 Cb -0.14 -1.65 0.93 0.00 -1.46 0.00 0.00 42.92 40.60 1axa s ASP 25 CO 0.13 -0.32 1.71 0.35 0.52 0.00 0.00 175.17 177.56 1axa n THR 26 N 4.44 0.78 0.77 1.71 -2.24 -1.26 -2.13 114.28 116.35 1axa n THR 26 Ca -0.06 0.14 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1axa n THR 26 Cb 0.42 -1.04 0.29 0.00 -2.10 0.00 0.00 70.33 67.90 1axa n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1axa n GLY 27 N 0.26 0.96 3.54 3.38 0.00 -1.26 -4.83 105.19 107.24 1axa n GLY 27 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1axa n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1axa s SER 28 N -1.42 5.03 0.17 1.61 0.15 -0.90 -4.97 113.70 113.36 1axa s SER 28 Ca 0.34 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.95 1axa s SER 28 Cb 0.19 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.71 1axa s SER 28 CO 0.27 0.18 1.40 0.44 1.20 0.00 0.00 173.24 176.73 1axa h ASP 29 N 6.60 0.32 -0.96 5.45 3.32 -1.88 0.88 116.42 130.14 1axa h ASP 29 Ca -0.34 -0.24 -0.56 0.00 0.02 0.00 0.00 57.03 55.91 1axa h ASP 29 Cb 1.18 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1axa h ASP 29 CO 0.64 1.02 -0.36 -1.81 -1.72 0.00 0.00 179.24 177.01 1axa s ASP 30 N -6.95 4.66 -0.21 6.45 1.01 -1.26 -2.53 116.67 117.84 1axa s ASP 30 Ca -0.04 -1.12 -0.05 0.00 0.71 0.00 0.00 52.55 52.06 1axa s ASP 30 Cb 0.10 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 44.05 1axa s ASP 30 CO 0.83 -0.89 -0.01 -0.89 0.21 0.00 0.00 175.17 174.42 1axa s THR 31 N -2.68 3.74 -0.10 -1.27 2.01 -1.26 -2.73 115.64 113.35 1axa s THR 31 Ca 0.38 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1axa s THR 31 Cb -0.01 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.82 1axa s THR 31 CO 0.22 0.41 -0.08 0.54 -0.69 0.00 0.00 174.62 175.03 1axa s VAL 32 N 1.28 0.98 0.12 3.82 0.11 -0.35 -1.27 120.40 125.10 1axa s VAL 32 Ca 0.04 -0.28 0.11 0.00 -2.93 0.00 0.00 61.98 58.91 1axa s VAL 32 Cb -0.15 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.67 1axa s VAL 32 CO 0.00 0.36 -0.27 -0.76 -3.33 0.00 0.00 175.10 171.10 1axa s LEU 33 N 1.59 2.31 1.05 2.54 1.43 0.54 0.12 118.68 128.25 1axa s LEU 33 Ca 0.02 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 1axa s LEU 33 Cb -0.13 -1.21 0.06 0.00 0.03 0.00 0.00 46.19 44.94 1axa s LEU 33 CO -0.07 0.18 0.06 -1.84 0.23 0.00 0.00 176.35 174.91 1axa n GLU 34 N 0.99 -1.00 -1.67 1.70 0.28 -1.25 -0.62 120.64 119.07 1axa n GLU 34 Ca -0.18 -0.27 -0.42 0.00 -0.16 0.00 0.00 57.16 56.13 1axa n GLU 34 Cb 0.53 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.67 1axa n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1axa n GLU 35 N -1.58 2.87 -4.03 3.44 4.71 -1.21 -4.34 120.64 120.51 1axa n GLU 35 Ca 0.03 1.05 -0.10 0.00 -0.01 0.00 0.00 57.16 58.13 1axa n GLU 35 Cb 0.59 -2.99 -0.07 0.00 -1.01 0.00 0.00 31.44 27.97 1axa n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1axa s MET 36 N 3.82 1.38 -0.71 3.49 0.23 -1.26 -5.05 119.30 121.21 1axa s MET 36 Ca 0.86 -1.30 -0.26 0.00 -1.03 0.00 0.00 55.69 53.96 1axa s MET 36 Cb -0.44 0.41 -0.00 0.00 -1.53 0.00 0.00 34.83 33.26 1axa s MET 36 CO 0.40 -0.54 1.66 -1.12 -2.03 0.00 0.00 175.02 173.39 1axa s SER 37 N -3.03 5.61 -0.11 -1.18 0.01 -1.26 -4.95 113.70 108.79 1axa s SER 37 Ca 0.24 -0.13 -0.01 0.00 1.31 0.00 0.00 55.95 57.37 1axa s SER 37 Cb 0.02 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.73 1axa s SER 37 CO 0.07 -2.19 -0.05 -0.22 0.41 0.00 0.00 173.24 171.26 1axa s LEU 38 N 7.88 1.09 0.29 2.44 2.96 -1.26 -4.87 118.68 127.21 1axa s LEU 38 Ca 0.56 -0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 1axa s LEU 38 Cb -0.10 -0.74 -0.09 0.00 0.50 0.00 0.00 46.19 45.75 1axa s LEU 38 CO 0.15 -0.15 1.05 -2.16 -1.32 0.00 0.00 176.35 173.92 1axa s PRO 39 N 1.77 4.61 0.00 0.98 0.04 -1.26 -4.89 135.00 136.25 1axa s PRO 39 Ca 0.04 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1axa s PRO 39 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1axa s PRO 39 CO -0.07 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1axa n GLY 40 N 1.10 0.41 3.73 0.56 0.00 -1.26 -5.05 105.19 104.68 1axa n GLY 40 Ca -0.00 -2.29 -0.39 0.00 0.00 0.00 0.00 46.02 43.34 1axa n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1axa s ARG 41 N -0.04 4.38 0.29 1.61 0.52 -1.26 -5.11 118.95 119.34 1axa s ARG 41 Ca 0.00 0.69 0.02 0.00 -0.52 0.00 0.00 55.73 55.93 1axa s ARG 41 Cb 0.00 -3.42 -0.06 0.00 0.52 0.00 0.00 34.95 31.99 1axa s ARG 41 CO 0.00 0.17 0.08 1.67 0.02 0.00 0.00 175.30 177.24 1axa s TRP 42 N 0.52 1.74 0.00 -0.53 1.48 -1.26 -4.67 118.94 116.22 1axa s TRP 42 Ca 0.32 -1.09 0.04 0.00 -1.06 0.00 0.00 56.10 54.31 1axa s TRP 42 Cb -0.17 -1.08 -0.01 0.00 -1.16 0.00 0.00 33.47 31.05 1axa s TRP 42 CO 0.15 -0.18 -0.12 -1.59 -4.06 0.00 0.00 176.95 171.15 1axa s LYS 43 N -3.96 0.93 0.65 3.25 -2.85 -0.23 -4.89 119.74 112.65 1axa s LYS 43 Ca 0.37 -0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 54.71 1axa s LYS 43 Cb 0.08 -0.90 -0.01 0.00 -2.06 0.00 0.00 37.83 34.94 1axa s LYS 43 CO 0.15 0.24 1.08 -1.25 0.10 0.00 0.00 175.35 175.67 1axa s PRO 44 N -0.45 2.96 0.16 1.78 0.04 -1.26 0.14 135.00 138.37 1axa s PRO 44 Ca 0.04 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.11 1axa s PRO 44 Cb -0.05 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.56 1axa s PRO 44 CO -0.00 -1.10 0.54 0.21 0.04 0.00 0.00 177.00 176.69 1axa s LYS 45 N -4.29 1.25 -0.10 4.56 2.20 0.45 -4.75 119.74 119.05 1axa s LYS 45 Ca 0.64 -0.59 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1axa s LYS 45 Cb -0.18 0.55 -0.00 0.00 -1.51 0.00 0.00 37.83 36.69 1axa s LYS 45 CO 0.43 -0.53 -0.23 1.41 -0.36 0.00 0.00 175.35 176.07 1axa s MET 46 N -3.78 3.03 0.23 4.03 1.75 -1.26 -1.13 119.30 122.17 1axa s MET 46 Ca 0.03 -0.86 0.08 0.00 -1.25 0.00 0.00 55.69 53.68 1axa s MET 46 Cb -0.00 -2.32 -0.05 0.00 2.84 0.00 0.00 34.83 35.30 1axa s MET 46 CO -0.11 0.21 -0.13 0.96 -0.65 0.00 0.00 175.02 175.29 1axa s ILE 47 N 0.28 1.82 0.12 10.11 -4.36 -0.12 -4.96 121.20 124.10 1axa s ILE 47 Ca -0.16 -2.22 0.04 0.00 -0.26 0.00 0.00 60.65 58.04 1axa s ILE 47 Cb -0.17 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1axa s ILE 47 CO 0.08 -0.50 -0.09 -0.83 0.24 0.00 0.00 174.94 173.84 1axa s GLY 48 N -3.37 0.94 0.00 6.27 0.00 -1.26 0.38 107.32 110.28 1axa s GLY 48 Ca 0.25 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1axa s GLY 48 CO 0.09 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.31 1axa n GLY 49 N -0.01 3.46 0.29 0.20 0.00 0.14 -4.97 105.19 104.30 1axa n GLY 49 Ca -0.12 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1axa n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1axa h ILE 50 N 0.03 0.23 -0.16 -0.61 1.08 -2.03 -2.12 117.51 113.93 1axa h ILE 50 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1axa h ILE 50 Cb 0.00 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1axa h ILE 50 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1axa n GLY 51 N -1.49 1.24 0.00 5.37 0.00 -1.26 -5.01 105.19 104.04 1axa n GLY 51 Ca 0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1axa n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1axa n GLY 52 N 1.40 -0.24 3.37 -0.02 0.00 -0.80 -5.11 105.19 103.80 1axa n GLY 52 Ca 0.16 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 1axa n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1axa s PHE 53 N -4.00 1.87 0.07 1.61 -0.71 -1.26 0.24 117.98 115.79 1axa s PHE 53 Ca 0.00 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.40 1axa s PHE 53 Cb 0.00 -0.86 -0.04 0.00 -1.21 0.00 0.00 43.02 40.91 1axa s PHE 53 CO 0.00 0.44 -0.05 0.96 -1.34 0.00 0.00 175.22 175.22 1axa s ILE 54 N -2.68 0.47 -0.27 -4.49 -4.36 0.16 -4.98 121.20 105.05 1axa s ILE 54 Ca 0.23 -1.63 -0.15 0.00 -0.26 0.00 0.00 60.65 58.83 1axa s ILE 54 Cb -0.03 -1.29 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 1axa s ILE 54 CO 0.09 -0.78 0.39 -0.75 0.24 0.00 0.00 174.94 174.13 1axa s LYS 55 N -3.19 4.00 0.16 0.37 2.47 -1.26 -0.94 119.74 121.34 1axa s LYS 55 Ca 0.03 0.05 0.06 0.00 -1.56 0.00 0.00 55.97 54.55 1axa s LYS 55 Cb 0.02 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.68 1axa s LYS 55 CO -0.05 -0.30 -0.12 0.14 0.16 0.00 0.00 175.35 175.18 1axa s VAL 56 N 2.10 1.36 -0.20 4.02 -7.23 -0.29 -4.50 120.40 115.66 1axa s VAL 56 Ca 0.16 -2.02 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 1axa s VAL 56 Cb -0.16 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 1axa s VAL 56 CO 0.10 -0.63 0.08 -0.13 -0.31 0.00 0.00 175.10 174.21 1axa s ARG 57 N -3.47 3.94 -0.23 4.82 0.52 -0.72 -0.41 118.95 123.40 1axa s ARG 57 Ca 0.16 -0.35 -0.16 0.00 -0.52 0.00 0.00 55.73 54.86 1axa s ARG 57 Cb -0.00 -3.28 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1axa s ARG 57 CO 0.03 0.17 0.42 -1.14 0.02 0.00 0.00 175.30 174.80 1axa s GLN 58 N 0.67 4.11 -0.14 3.54 0.74 0.38 -1.42 119.66 127.55 1axa s GLN 58 Ca 0.04 0.20 -0.02 0.00 0.05 0.00 0.00 55.36 55.63 1axa s GLN 58 Cb -0.13 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 1axa s GLN 58 CO 0.02 -0.18 -0.07 0.71 -0.55 0.00 0.00 175.29 175.21 1axa s TYR 59 N 1.75 2.94 0.25 1.67 1.51 0.17 -1.06 117.35 124.58 1axa s TYR 59 Ca 0.19 -0.38 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1axa s TYR 59 Cb -0.15 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.77 1axa s TYR 59 CO 0.09 -0.05 0.11 -0.51 -1.11 0.00 0.00 175.55 174.07 1axa s ASP 60 N 0.21 5.09 -1.46 2.29 1.11 -1.26 0.29 116.67 122.94 1axa s ASP 60 Ca -0.05 -0.42 -0.06 0.00 0.18 0.00 0.00 52.55 52.20 1axa s ASP 60 Cb -0.14 -1.16 0.05 0.00 1.07 0.00 0.00 42.92 42.73 1axa s ASP 60 CO 0.04 -0.02 0.70 0.00 1.18 0.00 0.00 175.17 177.07 1axa n GLN 61 N -1.02 -4.31 -3.36 8.23 10.64 -1.15 -4.90 117.38 121.51 1axa n GLN 61 Ca -0.07 0.51 -0.38 0.00 -1.83 0.00 0.00 57.00 55.23 1axa n GLN 61 Cb 0.58 -5.05 -0.07 0.00 -0.86 0.00 0.00 30.24 24.85 1axa n GLN 61 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1axa s ILE 62 N -3.61 5.19 0.16 -0.39 -1.09 -0.09 -4.72 121.20 116.64 1axa s ILE 62 Ca 0.29 0.79 -0.30 0.00 -2.23 0.00 0.00 60.65 59.20 1axa s ILE 62 Cb -0.15 -3.76 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1axa s ILE 62 CO 0.86 0.27 1.03 -0.22 -1.23 0.00 0.00 174.94 175.64 1axa s LEU 63 N 1.12 4.51 -0.02 2.97 2.96 -1.26 -1.81 118.68 127.15 1axa s LEU 63 Ca 0.21 1.95 0.02 0.00 -0.22 0.00 0.00 54.13 56.10 1axa s LEU 63 Cb -0.15 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1axa s LEU 63 CO 0.08 -0.12 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.28 1axa s ILE 64 N -0.23 0.69 -0.30 6.68 1.01 0.67 -4.64 121.20 125.07 1axa s ILE 64 Ca 0.47 -0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1axa s ILE 64 Cb -0.26 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.59 1axa s ILE 64 CO 0.32 0.21 0.14 -1.61 0.00 0.00 0.00 174.94 174.01 1axa s GLU 65 N 0.02 3.44 -0.31 2.79 2.02 -0.18 -0.67 118.70 125.80 1axa s GLU 65 Ca -0.00 -0.65 -0.05 0.00 0.02 0.00 0.00 54.97 54.30 1axa s GLU 65 Cb -0.06 -3.54 0.04 0.00 0.10 0.00 0.00 34.13 30.67 1axa s GLU 65 CO -0.00 -0.36 0.05 0.42 0.02 0.00 0.00 175.26 175.39 1axa s ILE 66 N 1.63 3.51 -1.37 -1.63 1.01 0.39 -1.49 121.20 123.24 1axa s ILE 66 Ca 0.05 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 1axa s ILE 66 Cb -0.17 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1axa s ILE 66 CO 0.06 -0.07 0.42 0.00 0.00 0.00 0.00 174.94 175.35 1axa n GLY 68 N -2.09 2.56 3.72 0.00 0.00 -1.26 -5.00 105.19 103.12 1axa n GLY 68 Ca -0.26 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1axa n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1axa s HIS 69 N -0.55 3.65 0.26 1.61 4.02 0.12 -4.99 115.29 119.41 1axa s HIS 69 Ca 0.00 1.42 -0.23 0.00 1.02 0.00 0.00 55.06 57.27 1axa s HIS 69 Cb 0.00 -2.88 -0.09 0.00 -1.02 0.00 0.00 32.58 28.59 1axa s HIS 69 CO 0.00 0.13 0.82 0.15 1.02 0.00 0.00 174.74 176.86 1axa s LYS 70 N 0.55 4.42 0.06 1.40 1.02 -1.26 0.15 119.74 126.07 1axa s LYS 70 Ca 0.41 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 57.37 1axa s LYS 70 Cb -0.19 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1axa s LYS 70 CO 0.22 0.36 0.25 0.00 -0.92 0.00 0.00 175.35 175.26 1axa s ALA 71 N -1.53 -0.49 -0.06 5.17 0.00 0.15 -4.91 121.76 120.09 1axa s ALA 71 Ca 0.45 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.22 1axa s ALA 71 Cb -0.18 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1axa s ALA 71 CO 0.23 -0.43 -0.15 0.42 0.00 0.00 0.00 175.76 175.83 1axa s ILE 72 N -2.87 1.31 -0.02 0.00 1.01 -1.26 -0.24 121.20 119.13 1axa s ILE 72 Ca -0.03 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1axa s ILE 72 Cb 0.00 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1axa s ILE 72 CO -0.05 0.39 0.30 0.61 0.00 0.00 0.00 174.94 176.19 1axa n GLY 73 N 3.58 0.34 3.70 6.18 0.00 -0.75 -4.86 105.19 113.37 1axa n GLY 73 Ca -0.21 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 1axa n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1axa s THR 74 N -2.01 4.42 -0.05 2.61 2.01 -1.26 -0.92 115.64 120.44 1axa s THR 74 Ca 0.07 1.73 0.04 0.00 0.31 0.00 0.00 61.69 63.84 1axa s THR 74 Cb -0.00 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.40 1axa s THR 74 CO -0.01 0.05 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.12 1axa s VAL 75 N 1.73 1.37 -0.17 3.82 1.01 0.14 -4.49 120.40 123.81 1axa s VAL 75 Ca 0.54 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1axa s VAL 75 Cb -0.24 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1axa s VAL 75 CO 0.24 0.40 0.01 -0.76 0.00 0.00 0.00 175.10 174.98 1axa s LEU 76 N 0.23 3.45 -0.20 3.92 1.43 -0.39 -0.65 118.68 126.48 1axa s LEU 76 Ca -0.08 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1axa s LEU 76 Cb -0.13 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1axa s LEU 76 CO 0.03 0.15 -0.11 -0.69 0.23 0.00 0.00 176.35 175.96 1axa s VAL 77 N 0.51 2.88 0.00 -1.59 1.01 -0.51 -0.34 120.40 122.36 1axa s VAL 77 Ca -0.00 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1axa s VAL 77 Cb -0.14 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1axa s VAL 77 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1axa n GLY 78 N 4.59 1.10 2.22 4.51 0.00 0.21 -1.76 105.19 116.06 1axa n GLY 78 Ca -0.19 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 44.95 1axa n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1axa n PRO 79 N 0.00 0.33 -2.82 1.61 -0.02 -1.26 -3.31 135.00 129.53 1axa n PRO 79 Ca 0.00 -0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 1axa n PRO 79 Cb 0.00 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1axa n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1axa s THR 80 N 2.24 4.65 0.16 3.45 -1.32 -1.26 -4.97 115.64 118.59 1axa s THR 80 Ca 0.09 0.96 -0.04 0.00 -1.21 0.00 0.00 61.69 61.49 1axa s THR 80 Cb 0.04 -3.68 -0.10 0.00 -1.51 0.00 0.00 72.50 67.25 1axa s THR 80 CO 0.00 -0.44 1.43 -0.65 -2.21 0.00 0.00 174.62 172.75 1axa h PRO 81 N 1.54 0.54 -5.12 7.08 0.11 -1.98 -3.44 132.00 130.73 1axa h PRO 81 Ca -0.47 -0.41 -0.39 0.00 0.11 0.00 0.00 66.00 64.84 1axa h PRO 81 Cb 1.18 0.07 -0.23 0.00 0.11 0.00 0.00 31.00 32.14 1axa h PRO 81 CO 0.63 1.03 -0.77 0.14 -0.21 0.00 0.00 178.00 178.82 1axa s VAL 82 N -3.76 0.95 0.07 3.15 -7.23 -1.26 -5.03 120.40 107.29 1axa s VAL 82 Ca -0.07 -1.11 -0.31 0.00 -1.81 0.00 0.00 61.98 58.68 1axa s VAL 82 Cb 0.10 -0.92 -0.07 0.00 0.56 0.00 0.00 36.38 36.06 1axa s VAL 82 CO 0.85 -0.17 1.43 0.20 -0.31 0.00 0.00 175.10 177.11 1axa s ASN 83 N -1.44 6.80 -0.02 4.85 0.01 -1.26 -4.71 114.94 119.16 1axa s ASN 83 Ca -0.02 2.28 0.05 0.00 -0.71 0.00 0.00 52.86 54.45 1axa s ASN 83 Cb -0.09 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1axa s ASN 83 CO 0.01 -0.71 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.09 1axa s ILE 84 N 1.78 1.42 -0.28 0.60 1.01 0.12 -0.85 121.20 125.00 1axa s ILE 84 Ca 0.66 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 60.52 1axa s ILE 84 Cb -0.35 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 40.94 1axa s ILE 84 CO 0.29 0.40 0.02 -0.63 0.00 0.00 0.00 174.94 175.03 1axa s ILE 85 N -0.25 3.43 0.00 2.92 -1.09 -0.31 -1.21 121.20 124.70 1axa s ILE 85 Ca 0.03 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 1axa s ILE 85 Cb -0.09 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 1axa s ILE 85 CO 0.00 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.39 1axa n GLY 86 N 4.76 2.56 0.39 6.18 0.00 -1.11 -0.97 105.19 117.00 1axa n GLY 86 Ca -0.15 -2.15 0.17 0.00 0.00 0.00 0.00 46.02 43.89 1axa n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1axa h ARG 87 N 0.00 0.50 -0.02 1.61 3.08 -0.84 -1.77 114.38 116.95 1axa h ARG 87 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1axa h ARG 87 Cb 0.01 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1axa h ARG 87 CO 0.00 0.33 0.01 -2.95 -1.07 0.00 0.00 179.97 176.30 1axa h ASN 88 N 0.52 0.00 0.02 7.04 -1.07 -1.76 -2.27 115.58 118.05 1axa h ASN 88 Ca 0.51 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.51 1axa h ASN 88 Cb 1.11 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.29 1axa h ASN 88 CO -0.24 0.00 -2.38 0.18 0.07 0.00 0.00 177.43 175.07 1axa n LEU 89 N -4.36 0.44 -0.31 6.14 4.32 -0.91 -4.20 117.00 118.13 1axa n LEU 89 Ca -0.03 -0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.00 1axa n LEU 89 Cb 0.10 0.29 0.18 0.00 -1.62 0.00 0.00 43.42 42.38 1axa n LEU 89 CO 0.32 0.56 1.16 -0.07 -1.22 0.00 0.00 177.39 178.14 1axa h LEU 90 N 0.00 0.72 -0.95 2.23 3.38 -1.02 0.10 115.31 119.77 1axa h LEU 90 Ca -0.54 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.39 1axa h LEU 90 Cb 2.19 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.84 1axa h LEU 90 CO 0.02 0.40 -0.18 0.71 0.09 0.00 0.00 178.44 179.48 1axa h THR 91 N 0.83 1.25 0.00 0.22 1.35 -1.62 -2.33 112.91 112.62 1axa h THR 91 Ca 0.42 -1.16 -0.05 0.00 -0.55 0.00 0.00 66.41 65.07 1axa h THR 91 Cb 0.39 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1axa h THR 91 CO -0.25 0.38 -0.23 1.56 -0.25 0.00 0.00 175.52 176.73 1axa h GLN 92 N 0.51 0.00 -0.64 4.72 4.20 -0.99 -2.09 115.11 120.81 1axa h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1axa h GLN 92 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1axa h GLN 92 CO 0.04 0.23 0.00 0.44 -0.67 0.00 0.00 178.83 178.87 1axa n ILE 93 N -4.20 1.09 -2.14 2.54 -5.35 -0.85 -4.94 119.36 105.51 1axa n ILE 93 Ca -0.02 -0.91 -0.14 0.00 -0.27 0.00 0.00 62.75 61.41 1axa n ILE 93 Cb 0.29 0.32 -0.01 0.00 -1.74 0.00 0.00 39.64 38.49 1axa n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1axa n GLY 94 N 1.37 0.03 3.71 3.28 0.00 -0.79 -4.98 105.19 107.81 1axa n GLY 94 Ca 0.22 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1axa n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1axa s THR 96 N 1.03 1.99 -0.14 0.00 -4.23 -1.26 -4.73 115.64 108.31 1axa s THR 96 Ca 0.54 -2.25 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1axa s THR 96 Cb -0.24 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1axa s THR 96 CO 0.28 -0.44 0.10 -0.22 -0.54 0.00 0.00 174.62 173.80 1axa s LEU 97 N -3.43 4.10 -0.10 4.79 2.96 -1.26 -5.06 118.68 120.68 1axa s LEU 97 Ca 0.27 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1axa s LEU 97 Cb -0.01 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.73 1axa s LEU 97 CO 0.11 0.33 0.15 0.20 -1.32 0.00 0.00 176.35 175.82 1axa s ASN 98 N -0.55 0.98 0.00 3.68 0.01 -1.26 -5.28 114.94 112.52 1axa s ASN 98 Ca 0.11 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.44 1axa s ASN 98 Cb -0.12 0.22 0.00 0.00 0.41 0.00 0.00 41.25 41.76 1axa s ASN 98 CO 0.02 -0.26 0.00 2.22 -1.51 0.00 0.00 177.10 177.57