#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8k s GLN 2 N 0.00 0.98 0.21 0.54 0.74 -1.26 -5.11 119.66 115.77 1a8k s GLN 2 Ca 0.00 -1.45 -0.30 0.00 0.05 0.00 0.00 55.36 53.66 1a8k s GLN 2 Cb 0.00 -2.26 -0.08 0.00 1.10 0.00 0.00 33.01 31.77 1a8k s GLN 2 CO 0.00 -1.03 0.98 0.42 -0.55 0.00 0.00 175.29 175.11 1a8k s ILE 3 N 1.16 4.08 0.40 -2.34 1.09 -1.26 -5.05 121.20 119.28 1a8k s ILE 3 Ca 0.12 1.98 0.03 0.00 -1.10 0.00 0.00 60.65 61.68 1a8k s ILE 3 Cb -0.20 -4.26 -0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1a8k s ILE 3 CO -0.16 0.42 0.59 0.42 -0.10 0.00 0.00 174.94 176.12 1a8k s THR 4 N -0.83 3.96 -2.39 2.92 -4.23 -1.26 -5.07 115.64 108.74 1a8k s THR 4 Ca 0.43 -0.73 0.23 0.00 -1.18 0.00 0.00 61.69 60.44 1a8k s THR 4 Cb -0.26 -3.42 0.42 0.00 1.34 0.00 0.00 72.50 70.58 1a8k s THR 4 CO 0.33 -0.24 1.39 0.18 -0.54 0.00 0.00 174.62 175.74 1a8k n LEU 5 N -1.90 3.45 0.08 4.79 4.32 -1.26 -4.47 117.00 122.02 1a8k n LEU 5 Ca 0.01 -1.53 0.16 0.00 -0.02 0.00 0.00 56.01 54.64 1a8k n LEU 5 Cb 0.58 -0.25 0.67 0.00 -1.62 0.00 0.00 43.42 42.80 1a8k n LEU 5 CO 0.45 0.75 1.15 -0.50 -1.22 0.00 0.00 177.39 178.02 1a8k h TRP 6 N 4.37 0.01 -3.58 -1.77 -0.00 -2.05 -3.41 115.95 109.52 1a8k h TRP 6 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.89 58.55 1a8k h TRP 6 Cb 0.97 -0.00 -0.17 0.00 -0.00 0.00 0.00 29.16 29.96 1a8k h TRP 6 CO 0.25 0.00 -0.73 -1.59 -0.00 0.00 0.00 178.44 176.38 1a8k s LYS 7 N -5.04 0.96 0.22 0.49 -2.85 -1.26 -5.11 119.74 107.15 1a8k s LYS 7 Ca -0.05 -1.28 -0.32 0.00 -1.00 0.00 0.00 55.97 53.32 1a8k s LYS 7 Cb 0.19 -0.64 -0.14 0.00 -2.06 0.00 0.00 37.83 35.18 1a8k s LYS 7 CO 0.71 0.10 1.43 0.54 0.10 0.00 0.00 175.35 178.23 1a8k n ARG 8 N 0.28 2.02 -0.44 1.78 1.74 -1.26 -4.82 116.66 115.96 1a8k n ARG 8 Ca -0.14 0.72 -0.09 0.00 -0.77 0.00 0.00 57.85 57.57 1a8k n ARG 8 Cb 0.59 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.46 29.59 1a8k n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a8k n PRO 9 N 2.27 1.07 -2.58 5.56 -0.04 -1.26 -4.95 135.00 135.07 1a8k n PRO 9 Ca 0.13 -0.72 -0.43 0.00 -0.04 0.00 0.00 63.50 62.44 1a8k n PRO 9 Cb 0.31 -1.96 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1a8k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a8k s LEU 10 N 0.03 4.23 0.36 1.53 2.01 -1.26 -2.52 118.68 123.06 1a8k s LEU 10 Ca 0.27 1.61 0.03 0.00 0.01 0.00 0.00 54.13 56.06 1a8k s LEU 10 Cb 0.10 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.71 1a8k s LEU 10 CO -0.01 -0.56 0.09 0.68 1.01 0.00 0.00 176.35 177.56 1a8k s VAL 11 N 2.42 0.89 -0.12 -1.59 -7.23 -0.77 -4.91 120.40 109.10 1a8k s VAL 11 Ca 0.51 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.64 1a8k s VAL 11 Cb -0.20 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1a8k s VAL 11 CO 0.17 0.00 0.01 0.28 -0.31 0.00 0.00 175.10 175.25 1a8k s THR 12 N -3.29 4.39 0.22 5.32 -1.32 -1.26 -0.53 115.64 119.18 1a8k s THR 12 Ca 0.30 -0.20 0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1a8k s THR 12 Cb 0.06 -2.89 -0.01 0.00 -1.51 0.00 0.00 72.50 68.15 1a8k s THR 12 CO 0.15 0.56 0.08 2.30 -2.21 0.00 0.00 174.62 175.49 1a8k n ILE 13 N 2.64 0.00 -3.61 5.08 -5.35 0.14 -3.66 119.36 114.60 1a8k n ILE 13 Ca -0.18 -1.26 -0.19 0.00 -0.27 0.00 0.00 62.75 60.85 1a8k n ILE 13 Cb 0.53 0.45 -0.15 0.00 -1.74 0.00 0.00 39.64 38.73 1a8k n ILE 13 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1a8k s LYS 14 N -2.83 0.07 0.08 6.28 2.20 -1.12 -2.10 119.74 122.33 1a8k s LYS 14 Ca 0.11 0.38 0.09 0.00 -0.36 0.00 0.00 55.97 56.18 1a8k s LYS 14 Cb 0.01 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 35.55 1a8k s LYS 14 CO 0.08 -0.45 -0.22 0.42 -0.36 0.00 0.00 175.35 174.82 1a8k s ILE 15 N 2.28 2.55 0.00 5.43 1.01 -0.96 -2.20 121.20 129.30 1a8k s ILE 15 Ca 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1a8k s ILE 15 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.24 1a8k s ILE 15 CO -0.08 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.70 1a8k n GLY 16 N 1.25 3.02 0.01 6.18 0.00 -1.26 -1.32 105.19 113.06 1a8k n GLY 16 Ca -0.17 0.29 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1a8k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8k n GLY 17 N 0.00 0.65 3.81 -0.02 0.00 -1.26 -5.05 105.19 103.32 1a8k n GLY 17 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1a8k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a8k s GLN 18 N -1.07 3.30 0.05 1.61 -1.52 -0.44 -5.07 119.66 116.52 1a8k s GLN 18 Ca 0.01 1.16 0.06 0.00 -1.95 0.00 0.00 55.36 54.64 1a8k s GLN 18 Cb 0.01 -2.03 -0.03 0.00 -0.22 0.00 0.00 33.01 30.74 1a8k s GLN 18 CO 0.07 -0.82 -0.14 -0.51 -0.25 0.00 0.00 175.29 173.63 1a8k s LEU 19 N -4.62 2.80 0.27 2.90 1.02 -1.26 -2.26 118.68 117.53 1a8k s LEU 19 Ca 0.63 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 54.28 1a8k s LEU 19 Cb -0.15 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.43 1a8k s LEU 19 CO 0.39 0.25 0.53 -0.54 0.02 0.00 0.00 176.35 177.00 1a8k s LYS 20 N -1.59 1.68 -0.09 1.70 1.02 -0.89 -4.96 119.74 116.61 1a8k s LYS 20 Ca 0.16 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.88 1a8k s LYS 20 Cb -0.11 0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 37.68 1a8k s LYS 20 CO 0.07 -0.72 -0.17 -2.00 -0.92 0.00 0.00 175.35 171.61 1a8k s GLU 21 N -3.75 2.92 0.33 1.68 2.12 -1.26 0.29 118.70 121.03 1a8k s GLU 21 Ca 0.21 -0.76 0.06 0.00 0.36 0.00 0.00 54.97 54.85 1a8k s GLU 21 Cb -0.02 -2.42 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1a8k s GLU 21 CO 0.10 0.36 0.25 0.00 -0.54 0.00 0.00 175.26 175.43 1a8k s ALA 22 N -0.05 1.91 -0.21 6.30 0.00 0.31 -4.37 121.76 125.66 1a8k s ALA 22 Ca -0.04 -1.96 -0.01 0.00 0.00 0.00 0.00 51.96 49.95 1a8k s ALA 22 Cb -0.14 1.40 0.01 0.00 0.00 0.00 0.00 23.12 24.40 1a8k s ALA 22 CO 0.04 -0.63 -0.12 -1.17 0.00 0.00 0.00 175.76 173.88 1a8k s LEU 23 N -3.38 2.61 -0.52 0.00 2.96 0.92 -1.85 118.68 119.42 1a8k s LEU 23 Ca 0.39 -0.65 -0.27 0.00 -0.22 0.00 0.00 54.13 53.38 1a8k s LEU 23 Cb 0.03 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1a8k s LEU 23 CO 0.25 -0.04 1.96 -0.76 -1.32 0.00 0.00 176.35 176.44 1a8k s LEU 24 N 1.34 3.36 -0.31 -0.68 1.02 -1.05 -0.59 118.68 121.78 1a8k s LEU 24 Ca 0.04 0.70 -0.01 0.00 0.02 0.00 0.00 54.13 54.88 1a8k s LEU 24 Cb -0.14 -2.74 0.06 0.00 0.02 0.00 0.00 46.19 43.39 1a8k s LEU 24 CO -0.08 -2.34 0.01 -0.62 0.02 0.00 0.00 176.35 173.34 1a8k s ASP 25 N 8.50 4.85 0.06 2.29 -1.08 -0.52 -4.78 116.67 125.99 1a8k s ASP 25 Ca 0.76 -1.44 0.22 0.00 -0.52 0.00 0.00 52.55 51.57 1a8k s ASP 25 Cb -0.16 -1.69 0.91 0.00 -1.46 0.00 0.00 42.92 40.52 1a8k s ASP 25 CO 0.25 -0.29 1.70 0.41 0.52 0.00 0.00 175.17 177.76 1a8k n THR 26 N 4.56 0.57 1.12 1.71 -1.04 -1.26 -2.35 114.28 117.60 1a8k n THR 26 Ca -0.11 0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.12 1a8k n THR 26 Cb 0.43 -0.79 0.19 0.00 -1.82 0.00 0.00 70.33 68.34 1a8k n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a8k n GLY 27 N 0.69 0.51 3.50 3.41 0.00 -1.26 -4.84 105.19 107.19 1a8k n GLY 27 Ca 0.05 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1a8k n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8k s ALA 28 N -2.12 3.36 0.04 4.61 0.00 -0.99 -4.97 121.76 121.69 1a8k s ALA 28 Ca 0.28 -1.23 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 1a8k s ALA 28 Cb 0.20 -2.37 -0.14 0.00 0.00 0.00 0.00 23.12 20.81 1a8k s ALA 28 CO 0.37 -0.69 1.45 -0.44 0.00 0.00 0.00 175.76 176.45 1a8k h ASP 29 N 8.35 0.20 -1.52 0.00 5.19 -1.88 -0.03 116.42 126.72 1a8k h ASP 29 Ca -0.35 -0.34 -0.49 0.00 -0.62 0.00 0.00 57.03 55.23 1a8k h ASP 29 Cb 1.17 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.59 1a8k h ASP 29 CO 0.59 0.49 -0.38 -1.81 -3.12 0.00 0.00 179.24 175.01 1a8k s ASP 30 N -5.75 5.04 -0.19 6.45 1.11 -1.26 -3.30 116.67 118.77 1a8k s ASP 30 Ca -0.14 -0.75 -0.08 0.00 0.18 0.00 0.00 52.55 51.76 1a8k s ASP 30 Cb 0.05 -0.57 -0.04 0.00 1.07 0.00 0.00 42.92 43.43 1a8k s ASP 30 CO 0.71 -0.65 0.07 -0.89 1.18 0.00 0.00 175.17 175.59 1a8k s THR 31 N -2.47 4.77 -0.20 -1.27 2.01 -1.26 -3.16 115.64 114.04 1a8k s THR 31 Ca 0.48 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1a8k s THR 31 Cb -0.03 -3.16 0.03 0.00 0.01 0.00 0.00 72.50 69.35 1a8k s THR 31 CO 0.28 0.44 -0.17 0.54 -0.69 0.00 0.00 174.62 175.02 1a8k s VAL 32 N 0.51 2.14 0.05 3.82 0.11 -1.14 -0.68 120.40 125.21 1a8k s VAL 32 Ca 0.03 -1.11 0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1a8k s VAL 32 Cb -0.13 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 1a8k s VAL 32 CO 0.01 0.38 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.51 1a8k s ILE 33 N 1.25 3.93 0.16 7.04 1.09 -0.48 -1.36 121.20 132.83 1a8k s ILE 33 Ca 0.01 -0.88 -0.31 0.00 -1.10 0.00 0.00 60.65 58.38 1a8k s ILE 33 Cb -0.15 -2.81 -0.08 0.00 -1.06 0.00 0.00 42.46 38.35 1a8k s ILE 33 CO -0.11 0.23 1.34 -0.70 -0.10 0.00 0.00 174.94 175.61 1a8k s GLU 34 N -1.96 4.36 0.00 2.79 2.56 -1.26 -1.34 118.70 123.85 1a8k s GLU 34 Ca 0.22 2.06 0.00 0.00 0.00 0.00 0.00 54.97 57.26 1a8k s GLU 34 Cb -0.11 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 32.80 1a8k s GLU 34 CO 0.14 -0.34 0.00 0.39 -0.56 0.00 0.00 175.26 174.90 1a8k n GLU 35 N 3.21 0.00 -3.87 4.30 -0.58 -0.91 -4.80 120.64 117.99 1a8k n GLU 35 Ca 0.08 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.73 1a8k n GLU 35 Cb 0.43 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.24 1a8k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a8k s MET 36 N 0.00 1.26 -1.28 3.49 0.23 -1.26 -5.03 119.30 116.70 1a8k s MET 36 Ca 0.00 -1.05 -0.10 0.00 -1.03 0.00 0.00 55.69 53.51 1a8k s MET 36 Cb 0.00 0.44 0.16 0.00 -1.53 0.00 0.00 34.83 33.90 1a8k s MET 36 CO 0.00 -0.50 1.85 0.43 -2.03 0.00 0.00 175.02 174.77 1a8k n SER 37 N -0.27 5.05 -4.71 -1.18 7.64 -1.26 -4.99 113.62 113.90 1a8k n SER 37 Ca -0.08 -3.08 -0.42 0.00 1.01 0.00 0.00 58.87 56.29 1a8k n SER 37 Cb 0.63 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1a8k n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a8k s LEU 38 N 0.18 4.35 0.26 -3.43 1.43 -1.26 -4.98 118.68 115.23 1a8k s LEU 38 Ca 0.40 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.98 1a8k s LEU 38 Cb 0.08 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1a8k s LEU 38 CO 0.00 -0.37 1.00 -2.16 0.23 0.00 0.00 176.35 175.05 1a8k s PRO 39 N 1.23 4.74 0.00 1.29 0.04 -1.26 -4.91 135.00 136.13 1a8k s PRO 39 Ca 0.54 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1a8k s PRO 39 Cb -0.24 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1a8k s PRO 39 CO 0.27 0.38 0.00 0.41 0.04 0.00 0.00 177.00 178.09 1a8k n GLY 40 N 1.29 2.00 3.97 0.56 0.00 -1.26 -5.10 105.19 106.64 1a8k n GLY 40 Ca -0.01 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 1a8k n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8k s ARG 41 N -1.51 3.14 0.26 1.61 0.52 -1.26 -5.10 118.95 116.61 1a8k s ARG 41 Ca 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1a8k s ARG 41 Cb 0.00 -2.69 -0.00 0.00 0.52 0.00 0.00 34.95 32.77 1a8k s ARG 41 CO 0.00 -0.06 0.31 -2.67 0.02 0.00 0.00 175.30 172.90 1a8k n TRP 42 N -1.84 -0.99 -3.79 -0.53 4.27 -1.26 -4.72 117.44 108.58 1a8k n TRP 42 Ca -0.00 -1.89 -0.13 0.00 -3.89 0.00 0.00 57.50 51.59 1a8k n TRP 42 Cb 0.58 0.35 -0.11 0.00 -1.36 0.00 0.00 31.31 30.77 1a8k n TRP 42 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 1a8k s LYS 43 N -2.75 0.42 0.52 -2.67 -2.85 -1.21 -4.94 119.74 106.27 1a8k s LYS 43 Ca 0.25 0.10 -0.18 0.00 -1.00 0.00 0.00 55.97 55.13 1a8k s LYS 43 Cb 0.00 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.89 1a8k s LYS 43 CO 0.18 -0.08 1.02 -1.25 0.10 0.00 0.00 175.35 175.32 1a8k s PRO 44 N -0.48 3.71 -0.01 1.78 0.04 -1.26 0.35 135.00 139.13 1a8k s PRO 44 Ca -0.06 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 61.95 1a8k s PRO 44 Cb -0.04 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.46 1a8k s PRO 44 CO 0.01 -0.48 0.49 0.21 0.04 0.00 0.00 177.00 177.27 1a8k s LYS 45 N -3.70 0.89 -0.17 4.56 2.20 0.11 -4.81 119.74 118.82 1a8k s LYS 45 Ca 0.64 -0.04 -0.02 0.00 -0.36 0.00 0.00 55.97 56.18 1a8k s LYS 45 Cb -0.14 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1a8k s LYS 45 CO 0.27 -0.28 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.27 1a8k s MET 46 N -1.54 3.44 -0.11 4.03 -1.94 -1.26 0.13 119.30 122.06 1a8k s MET 46 Ca -0.11 -0.62 0.04 0.00 -1.71 0.00 0.00 55.69 53.29 1a8k s MET 46 Cb -0.02 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.97 1a8k s MET 46 CO 0.05 0.05 -0.23 0.96 -0.01 0.00 0.00 175.02 175.84 1a8k s ILE 47 N 0.82 2.05 0.35 2.53 -4.36 0.23 -4.88 121.20 117.93 1a8k s ILE 47 Ca -0.02 -1.00 -0.07 0.00 -0.26 0.00 0.00 60.65 59.29 1a8k s ILE 47 Cb -0.15 -1.78 -0.06 0.00 1.25 0.00 0.00 42.46 41.73 1a8k s ILE 47 CO 0.01 0.55 0.66 -0.83 0.24 0.00 0.00 174.94 175.57 1a8k s GLY 48 N 0.49 1.87 0.00 6.27 0.00 -1.26 -2.02 107.32 112.66 1a8k s GLY 48 Ca -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1a8k s GLY 48 CO 0.06 -0.27 0.00 0.61 0.00 0.00 0.00 173.10 173.50 1a8k n GLY 49 N -1.16 3.72 3.60 0.20 0.00 0.67 -4.97 105.19 107.25 1a8k n GLY 49 Ca 0.00 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 1a8k n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a8k s ILE 50 N -2.21 4.73 0.00 -0.61 1.01 -1.26 -3.18 121.20 119.68 1a8k s ILE 50 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 60.65 61.72 1a8k s ILE 50 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1a8k s ILE 50 CO 0.00 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.18 1a8k n GLY 51 N 4.35 0.76 0.00 6.18 0.00 -1.26 -5.03 105.19 110.19 1a8k n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1a8k n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a8k n GLY 52 N 0.00 0.62 3.62 -0.02 0.00 -1.19 -5.13 105.19 103.09 1a8k n GLY 52 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 1a8k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8k s PHE 53 N -3.51 2.51 -0.10 1.61 0.40 -1.26 -0.24 117.98 117.39 1a8k s PHE 53 Ca 0.00 -0.61 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1a8k s PHE 53 Cb 0.00 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.85 1a8k s PHE 53 CO 0.00 0.45 0.30 0.96 0.70 0.00 0.00 175.22 177.62 1a8k s ILE 54 N -2.67 0.01 0.11 0.64 -4.36 -0.85 -4.93 121.20 109.14 1a8k s ILE 54 Ca 0.35 -0.06 -0.30 0.00 -0.26 0.00 0.00 60.65 60.39 1a8k s ILE 54 Cb 0.07 -0.44 -0.06 0.00 1.25 0.00 0.00 42.46 43.29 1a8k s ILE 54 CO 0.18 -0.03 1.01 -0.54 0.24 0.00 0.00 174.94 175.80 1a8k s LYS 55 N -0.00 4.64 0.21 0.37 -0.14 -1.26 -0.61 119.74 122.95 1a8k s LYS 55 Ca -0.01 1.52 -0.06 0.00 -1.36 0.00 0.00 55.97 56.06 1a8k s LYS 55 Cb -0.02 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.73 1a8k s LYS 55 CO 0.01 0.12 0.26 0.14 -0.76 0.00 0.00 175.35 175.12 1a8k s VAL 56 N 0.16 0.01 -0.10 3.17 -7.23 0.35 -4.63 120.40 112.14 1a8k s VAL 56 Ca 0.49 -1.73 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 1a8k s VAL 56 Cb -0.25 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 1a8k s VAL 56 CO 0.31 -0.06 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.79 1a8k s ARG 57 N -4.08 3.07 -0.11 4.82 0.52 -0.62 0.09 118.95 122.64 1a8k s ARG 57 Ca 0.30 -0.65 -0.21 0.00 -0.52 0.00 0.00 55.73 54.65 1a8k s ARG 57 Cb 0.04 -2.58 -0.04 0.00 0.52 0.00 0.00 34.95 32.89 1a8k s ARG 57 CO 0.09 0.40 0.59 -1.14 0.02 0.00 0.00 175.30 175.26 1a8k s GLN 58 N -0.12 4.36 -0.10 3.54 0.74 0.15 -0.89 119.66 127.34 1a8k s GLN 58 Ca -0.01 0.65 0.03 0.00 0.05 0.00 0.00 55.36 56.08 1a8k s GLN 58 Cb -0.13 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.51 1a8k s GLN 58 CO 0.03 0.06 -0.20 0.71 -0.55 0.00 0.00 175.29 175.34 1a8k s TYR 59 N 0.89 2.63 0.31 1.67 1.51 0.12 -3.31 117.35 121.16 1a8k s TYR 59 Ca 0.31 -0.87 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1a8k s TYR 59 Cb -0.16 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 1a8k s TYR 59 CO 0.13 -0.32 0.16 -0.51 -1.11 0.00 0.00 175.55 173.90 1a8k s ASP 60 N 0.26 4.93 -1.56 2.29 1.11 -1.26 -0.69 116.67 121.76 1a8k s ASP 60 Ca -0.14 -0.60 -0.15 0.00 0.18 0.00 0.00 52.55 51.84 1a8k s ASP 60 Cb -0.17 -0.92 0.10 0.00 1.07 0.00 0.00 42.92 43.00 1a8k s ASP 60 CO 0.07 -0.21 0.95 0.00 1.18 0.00 0.00 175.17 177.16 1a8k n GLN 61 N -1.15 -5.16 -3.34 8.23 6.02 -1.08 -4.87 117.38 116.03 1a8k n GLN 61 Ca -0.04 0.57 -0.35 0.00 -0.01 0.00 0.00 57.00 57.16 1a8k n GLN 61 Cb 0.60 -5.44 -0.06 0.00 1.02 0.00 0.00 30.24 26.36 1a8k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a8k s ILE 62 N -3.28 4.83 -0.38 5.09 -1.09 0.41 -4.82 121.20 121.97 1a8k s ILE 62 Ca 0.68 0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 59.89 1a8k s ILE 62 Cb -0.34 -3.75 0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1a8k s ILE 62 CO 0.83 0.26 0.18 -0.63 -1.23 0.00 0.00 174.94 174.35 1a8k s ILE 63 N -1.45 4.11 -0.13 2.92 1.01 -1.26 -0.76 121.20 125.64 1a8k s ILE 63 Ca 0.38 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1a8k s ILE 63 Cb -0.15 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1a8k s ILE 63 CO 0.19 -0.31 0.02 -0.63 0.00 0.00 0.00 174.94 174.20 1a8k s ILE 64 N 1.44 4.40 -0.38 2.92 1.01 -1.19 -4.40 121.20 125.00 1a8k s ILE 64 Ca 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 1a8k s ILE 64 Cb -0.21 -2.91 0.08 0.00 0.01 0.00 0.00 42.46 39.43 1a8k s ILE 64 CO 0.03 0.53 0.18 -0.70 0.00 0.00 0.00 174.94 174.98 1a8k s GLU 65 N -0.19 2.40 -0.41 2.79 2.12 -0.94 -1.73 118.70 122.75 1a8k s GLU 65 Ca 0.06 -1.49 -0.15 0.00 0.36 0.00 0.00 54.97 53.75 1a8k s GLU 65 Cb -0.12 -3.57 0.02 0.00 0.26 0.00 0.00 34.13 30.72 1a8k s GLU 65 CO 0.02 -0.89 0.29 0.96 -0.54 0.00 0.00 175.26 175.10 1a8k s ILE 66 N 1.31 5.18 -0.67 -3.70 -4.36 -0.55 -2.78 121.20 115.62 1a8k s ILE 66 Ca 0.02 -0.70 -0.15 0.00 -0.26 0.00 0.00 60.65 59.56 1a8k s ILE 66 Cb -0.22 -3.90 0.02 0.00 1.25 0.00 0.00 42.46 39.62 1a8k s ILE 66 CO -0.00 -0.31 0.63 0.00 0.24 0.00 0.00 174.94 175.49 1a8k n GLY 68 N -1.08 0.96 3.56 0.00 0.00 -1.26 -4.91 105.19 102.45 1a8k n GLY 68 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1a8k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8k s HIS 69 N 0.00 2.36 -0.57 1.61 4.02 -0.92 -4.98 115.29 116.82 1a8k s HIS 69 Ca 0.00 -0.39 -0.27 0.00 1.02 0.00 0.00 55.06 55.42 1a8k s HIS 69 Cb 0.00 -4.62 0.03 0.00 -1.02 0.00 0.00 32.58 26.97 1a8k s HIS 69 CO 0.00 -2.01 1.14 -1.59 1.02 0.00 0.00 174.74 173.30 1a8k s LYS 70 N 5.46 3.49 0.64 1.40 -2.85 -1.26 -1.48 119.74 125.13 1a8k s LYS 70 Ca 0.43 0.16 -0.02 0.00 -1.00 0.00 0.00 55.97 55.55 1a8k s LYS 70 Cb -0.04 -4.02 0.06 0.00 -2.06 0.00 0.00 37.83 31.78 1a8k s LYS 70 CO 0.02 -1.62 0.90 0.00 0.10 0.00 0.00 175.35 174.74 1a8k s ALA 71 N 4.72 3.61 -0.26 0.59 0.00 -0.71 -4.97 121.76 124.76 1a8k s ALA 71 Ca 0.41 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1a8k s ALA 71 Cb -0.08 -2.23 0.09 0.00 0.00 0.00 0.00 23.12 20.89 1a8k s ALA 71 CO 0.25 -1.08 0.60 0.96 0.00 0.00 0.00 175.76 176.49 1a8k s ILE 72 N -3.00 -0.30 0.00 0.00 -4.36 -1.26 -3.19 121.20 109.09 1a8k s ILE 72 Ca 0.60 0.03 0.00 0.00 -0.26 0.00 0.00 60.65 61.03 1a8k s ILE 72 Cb -0.09 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.72 1a8k s ILE 72 CO 0.42 0.01 0.00 0.61 0.24 0.00 0.00 174.94 176.22 1a8k n GLY 73 N 4.67 1.08 3.70 6.27 0.00 0.06 -4.88 105.19 116.09 1a8k n GLY 73 Ca -0.18 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1a8k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8k s THR 74 N -0.51 4.91 -0.09 2.61 2.01 -1.26 -0.44 115.64 122.86 1a8k s THR 74 Ca 0.00 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1a8k s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1a8k s THR 74 CO 0.00 0.13 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.17 1a8k s VAL 75 N 1.38 1.77 -0.39 3.82 1.01 0.14 -4.29 120.40 123.83 1a8k s VAL 75 Ca 0.44 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 1a8k s VAL 75 Cb -0.19 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.66 1a8k s VAL 75 CO 0.20 0.49 0.26 -0.76 0.00 0.00 0.00 175.10 175.30 1a8k s LEU 76 N 0.49 4.90 -0.19 3.92 1.43 0.14 -0.71 118.68 128.67 1a8k s LEU 76 Ca -0.16 -0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 51.85 1a8k s LEU 76 Cb -0.17 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 1a8k s LEU 76 CO 0.06 -0.40 0.68 -0.69 0.23 0.00 0.00 176.35 176.23 1a8k s VAL 77 N 1.65 4.98 0.23 -1.59 1.01 -0.07 -1.38 120.40 125.23 1a8k s VAL 77 Ca 0.04 1.30 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 1a8k s VAL 77 Cb -0.19 -3.99 0.06 0.00 0.00 0.00 0.00 36.38 32.26 1a8k s VAL 77 CO 0.09 0.09 0.94 -0.83 0.00 0.00 0.00 175.10 175.39 1a8k s GLY 78 N 1.20 0.08 -1.00 4.51 0.00 -0.45 -1.60 107.32 110.06 1a8k s GLY 78 Ca 0.31 -0.32 -0.23 0.00 0.00 0.00 0.00 44.72 44.47 1a8k s GLY 78 CO 0.11 1.03 1.83 2.56 0.00 0.00 0.00 173.10 178.63 1a8k s PRO 79 N -2.58 2.85 -0.04 2.90 0.04 -1.26 -2.13 135.00 134.78 1a8k s PRO 79 Ca 0.17 -0.72 0.04 0.00 0.04 0.00 0.00 61.00 60.53 1a8k s PRO 79 Cb -0.03 -5.19 -0.03 0.00 0.04 0.00 0.00 34.50 29.30 1a8k s PRO 79 CO 0.06 -3.17 -0.14 -0.08 0.04 0.00 0.00 177.00 173.71 1a8k s THR 80 N 8.82 3.11 0.23 1.26 -1.32 -1.26 -5.00 115.64 121.48 1a8k s THR 80 Ca 0.64 -0.74 0.33 0.00 -1.21 0.00 0.00 61.69 60.70 1a8k s THR 80 Cb -0.04 -2.24 0.33 0.00 -1.51 0.00 0.00 72.50 69.05 1a8k s THR 80 CO 0.00 0.56 2.01 1.55 -2.21 0.00 0.00 174.62 176.54 1a8k h PRO 81 N 5.23 0.00 -2.05 7.08 0.13 -1.99 -3.43 132.00 136.97 1a8k h PRO 81 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1a8k h PRO 81 Cb 1.15 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.09 1a8k h PRO 81 CO 0.50 0.00 0.15 0.08 -0.23 0.00 0.00 178.00 178.51 1a8k s VAL 82 N -3.85 0.00 0.36 1.56 1.01 -1.26 -5.15 120.40 113.07 1a8k s VAL 82 Ca -0.04 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1a8k s VAL 82 Cb 0.10 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 1a8k s VAL 82 CO 0.30 -0.01 1.10 0.20 0.00 0.00 0.00 175.10 176.69 1a8k s ASN 83 N -0.89 6.89 -0.02 3.32 0.01 -1.26 -4.81 114.94 118.18 1a8k s ASN 83 Ca -0.09 2.19 0.02 0.00 -0.71 0.00 0.00 52.86 54.27 1a8k s ASN 83 Cb -0.01 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1a8k s ASN 83 CO 0.08 -0.41 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.58 1a8k s ILE 84 N -1.42 0.52 -0.33 0.60 1.01 -0.46 -0.05 121.20 121.06 1a8k s ILE 84 Ca 0.53 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.89 1a8k s ILE 84 Cb -0.28 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 41.72 1a8k s ILE 84 CO 0.35 0.18 0.14 -0.63 0.00 0.00 0.00 174.94 174.98 1a8k s ILE 85 N 0.36 4.27 0.70 2.92 -1.09 0.25 -2.87 121.20 125.74 1a8k s ILE 85 Ca -0.04 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1a8k s ILE 85 Cb -0.08 -3.28 0.11 0.00 -1.58 0.00 0.00 42.46 37.63 1a8k s ILE 85 CO -0.00 -0.05 0.97 -0.83 -1.23 0.00 0.00 174.94 173.80 1a8k s GLY 86 N 1.53 1.77 0.40 6.18 0.00 -1.19 -1.44 107.32 114.57 1a8k s GLY 86 Ca 0.02 -1.57 0.10 0.00 0.00 0.00 0.00 44.72 43.28 1a8k s GLY 86 CO 0.05 -1.06 1.96 3.21 0.00 0.00 0.00 173.10 177.26 1a8k h ARG 87 N -0.47 0.54 0.00 2.90 3.08 -1.05 0.65 114.38 120.03 1a8k h ARG 87 Ca -0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.63 1a8k h ARG 87 Cb 1.27 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1a8k h ARG 87 CO 0.44 0.36 0.06 -2.95 -1.07 0.00 0.00 179.97 176.80 1a8k h ASN 88 N 0.56 0.00 0.00 7.04 -1.07 -1.83 0.11 115.58 120.39 1a8k h ASN 88 Ca 0.30 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.54 1a8k h ASN 88 Cb 0.44 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.67 1a8k h ASN 88 CO -0.10 0.00 -1.59 0.18 0.07 0.00 0.00 177.43 176.00 1a8k n LEU 89 N -2.50 0.00 0.18 6.14 4.32 0.13 -4.37 117.00 120.90 1a8k n LEU 89 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.01 1a8k n LEU 89 Cb 0.10 0.17 0.32 0.00 -1.62 0.00 0.00 43.42 42.39 1a8k n LEU 89 CO 0.12 0.17 0.65 -0.07 -1.22 0.00 0.00 177.39 177.05 1a8k h LEU 90 N 0.00 0.00 -0.35 2.23 3.38 -0.17 -2.38 115.31 118.02 1a8k h LEU 90 Ca -0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1a8k h LEU 90 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1a8k h LEU 90 CO 0.01 0.43 0.07 0.71 0.09 0.00 0.00 178.44 179.75 1a8k h THR 91 N 0.00 1.23 0.00 0.22 1.35 -1.08 -2.21 112.91 112.42 1a8k h THR 91 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1a8k h THR 91 Cb 0.89 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1a8k h THR 91 CO 0.06 0.27 0.00 0.00 -0.25 0.00 0.00 175.52 175.59 1a8k n GLN 92 N -4.60 0.03 -0.01 4.72 6.02 -0.90 -1.02 117.38 121.62 1a8k n GLN 92 Ca -0.01 0.41 0.04 0.00 -0.01 0.00 0.00 57.00 57.43 1a8k n GLN 92 Cb 0.21 -1.56 0.04 0.00 1.02 0.00 0.00 30.24 29.95 1a8k n GLN 92 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1a8k n ILE 93 N -1.61 0.07 -2.14 5.09 -5.35 -1.21 -4.70 119.36 109.51 1a8k n ILE 93 Ca 0.01 -0.53 -0.05 0.00 -0.27 0.00 0.00 62.75 61.91 1a8k n ILE 93 Cb 0.09 1.14 -0.00 0.00 -1.74 0.00 0.00 39.64 39.13 1a8k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a8k n GLY 94 N 0.49 0.19 3.73 3.28 0.00 -0.19 -5.01 105.19 107.69 1a8k n GLY 94 Ca 0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1a8k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8k s THR 96 N -0.01 0.98 -0.15 0.00 -4.23 -1.26 -4.77 115.64 106.20 1a8k s THR 96 Ca 0.51 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1a8k s THR 96 Cb -0.29 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1a8k s THR 96 CO 0.34 -0.61 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.58 1a8k s LEU 97 N -2.62 3.42 -0.04 4.79 2.96 -1.26 -5.09 118.68 120.84 1a8k s LEU 97 Ca 0.08 -0.05 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 1a8k s LEU 97 Cb -0.01 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.88 1a8k s LEU 97 CO -0.00 0.19 0.07 0.20 -1.32 0.00 0.00 176.35 175.49 1a8k s ASN 98 N 0.22 0.72 0.00 3.68 -0.87 -1.26 -5.31 114.94 112.13 1a8k s ASN 98 Ca -0.01 0.11 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 1a8k s ASN 98 Cb -0.13 -0.06 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 1a8k s ASN 98 CO 0.02 -0.21 0.30 2.22 -2.57 0.00 0.00 177.10 176.86