#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aoi s GLN 2 N 0.00 3.54 -0.24 -0.52 0.74 -1.26 -5.09 119.66 116.83 2aoi s GLN 2 Ca 0.00 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 2aoi s GLN 2 Cb 0.00 -3.13 -0.01 0.00 1.10 0.00 0.00 33.01 30.97 2aoi s GLN 2 CO 0.00 -0.13 0.00 0.42 -0.55 0.00 0.00 175.29 175.03 2aoi s ILE 3 N 1.38 3.66 0.83 -2.34 1.01 -1.26 -5.11 121.20 119.38 2aoi s ILE 3 Ca 0.05 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 2aoi s ILE 3 Cb -0.15 -2.72 0.09 0.00 0.01 0.00 0.00 42.46 39.70 2aoi s ILE 3 CO 0.01 0.35 1.15 0.42 0.00 0.00 0.00 174.94 176.86 2aoi s THR 4 N 1.51 2.26 -0.14 2.92 -4.23 -1.26 -5.02 115.64 111.67 2aoi s THR 4 Ca 0.05 0.08 0.18 0.00 -1.18 0.00 0.00 61.69 60.83 2aoi s THR 4 Cb -0.15 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.06 2aoi s THR 4 CO -0.01 -0.11 1.21 0.18 -0.54 0.00 0.00 174.62 175.35 2aoi n LEU 5 N -3.45 2.68 0.13 4.79 4.77 -1.26 -4.62 117.00 120.05 2aoi n LEU 5 Ca 0.07 -3.11 0.04 0.00 -0.03 0.00 0.00 56.01 52.98 2aoi n LEU 5 Cb 0.60 -0.46 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 2aoi n LEU 5 CO 0.57 0.73 0.97 -0.50 -1.33 0.00 0.00 177.39 177.83 2aoi h TRP 6 N 0.40 0.24 -2.54 -1.77 4.06 -2.06 -3.43 115.95 110.84 2aoi h TRP 6 Ca 0.00 -0.01 -0.51 0.00 2.06 0.00 0.00 58.89 60.42 2aoi h TRP 6 Cb 1.10 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.05 2aoi h TRP 6 CO 0.13 0.29 -0.59 0.15 -3.56 0.00 0.00 178.44 174.86 2aoi s LYS 7 N -4.92 1.75 0.24 0.49 1.02 -1.26 -5.11 119.74 111.96 2aoi s LYS 7 Ca -0.06 -2.00 -0.31 0.00 0.02 0.00 0.00 55.97 53.62 2aoi s LYS 7 Cb 0.16 -0.97 -0.12 0.00 -0.52 0.00 0.00 37.83 36.38 2aoi s LYS 7 CO 0.72 -0.21 1.67 0.54 -0.92 0.00 0.00 175.35 177.14 2aoi n ARG 8 N -0.78 2.73 -2.28 1.68 1.74 -1.26 -4.86 116.66 113.64 2aoi n ARG 8 Ca -0.04 0.98 -0.43 0.00 -0.77 0.00 0.00 57.85 57.59 2aoi n ARG 8 Cb 0.66 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2aoi n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2aoi n PRO 9 N 3.18 3.10 -3.17 5.56 -0.04 -1.26 -4.94 135.00 137.43 2aoi n PRO 9 Ca 0.13 -3.07 -0.39 0.00 -0.04 0.00 0.00 63.50 60.13 2aoi n PRO 9 Cb 0.35 -3.37 -0.05 0.00 -0.04 0.00 0.00 33.50 30.39 2aoi n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2aoi s LEU 10 N 3.16 4.38 0.19 1.53 1.43 -1.26 -1.07 118.68 127.04 2aoi s LEU 10 Ca 0.50 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 2aoi s LEU 10 Cb 0.08 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2aoi s LEU 10 CO 0.01 0.03 -0.00 0.68 0.23 0.00 0.00 176.35 177.30 2aoi s VAL 11 N 0.15 0.79 -0.01 -1.59 -7.23 0.08 -4.95 120.40 107.64 2aoi s VAL 11 Ca 0.32 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.30 2aoi s VAL 11 Cb -0.18 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2aoi s VAL 11 CO 0.17 -0.43 0.57 -0.89 -0.31 0.00 0.00 175.10 174.21 2aoi s THR 12 N -3.58 4.93 0.22 5.32 2.01 -1.26 -1.00 115.64 122.27 2aoi s THR 12 Ca 0.25 1.18 0.11 0.00 0.31 0.00 0.00 61.69 63.55 2aoi s THR 12 Cb 0.06 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2aoi s THR 12 CO 0.05 0.43 -0.22 0.27 -0.69 0.00 0.00 174.62 174.46 2aoi s ILE 13 N -0.26 2.35 -0.14 1.82 -4.36 0.50 -1.32 121.20 119.79 2aoi s ILE 13 Ca 0.30 -2.13 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2aoi s ILE 13 Cb -0.18 -2.15 -0.00 0.00 1.25 0.00 0.00 42.46 41.38 2aoi s ILE 13 CO 0.16 -0.22 -0.17 -0.75 0.24 0.00 0.00 174.94 174.21 2aoi s LYS 14 N -2.93 3.18 -0.16 0.37 2.20 0.04 -1.55 119.74 120.90 2aoi s LYS 14 Ca 0.23 -0.77 -0.08 0.00 -0.36 0.00 0.00 55.97 54.98 2aoi s LYS 14 Cb -0.07 -2.56 0.06 0.00 -1.51 0.00 0.00 37.83 33.75 2aoi s LYS 14 CO 0.11 0.05 0.38 -1.50 -0.36 0.00 0.00 175.35 174.03 2aoi s ILE 15 N 0.71 -0.04 -1.70 5.43 2.07 -0.22 -1.12 121.20 126.33 2aoi s ILE 15 Ca -0.08 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 2aoi s ILE 15 Cb -0.16 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2aoi s ILE 15 CO 0.01 0.04 0.24 0.61 -1.91 0.00 0.00 174.94 173.94 2aoi n GLY 16 N 4.29 -0.51 2.75 1.50 0.00 -1.26 -0.88 105.19 111.08 2aoi n GLY 16 Ca -0.23 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2aoi n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoi n GLY 17 N -1.22 0.53 3.50 -0.02 0.00 -1.26 -5.01 105.19 101.70 2aoi n GLY 17 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2aoi n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aoi s GLN 18 N -0.43 2.04 -0.08 1.61 -0.21 -0.05 -5.12 119.66 117.42 2aoi s GLN 18 Ca 0.00 -1.02 -0.17 0.00 0.02 0.00 0.00 55.36 54.19 2aoi s GLN 18 Cb 0.00 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 2aoi s GLN 18 CO 0.00 0.52 0.45 -0.51 -2.12 0.00 0.00 175.29 173.63 2aoi s LEU 19 N -1.75 4.34 0.06 2.90 1.43 -1.26 -1.05 118.68 123.35 2aoi s LEU 19 Ca 0.17 0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2aoi s LEU 19 Cb -0.11 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 2aoi s LEU 19 CO 0.08 0.11 0.03 -0.54 0.23 0.00 0.00 176.35 176.27 2aoi s LYS 20 N 0.06 0.67 -0.09 1.70 1.02 -0.59 -5.00 119.74 117.51 2aoi s LYS 20 Ca 0.25 -1.14 -0.10 0.00 0.02 0.00 0.00 55.97 55.00 2aoi s LYS 20 Cb -0.16 0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 37.35 2aoi s LYS 20 CO 0.11 -0.15 0.24 -1.21 -0.92 0.00 0.00 175.35 173.42 2aoi s GLU 21 N -3.87 3.70 0.02 1.68 0.41 -1.26 -0.37 118.70 119.01 2aoi s GLU 21 Ca 0.06 0.07 -0.07 0.00 -0.41 0.00 0.00 54.97 54.62 2aoi s GLU 21 Cb 0.07 -3.23 -0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2aoi s GLU 21 CO -0.10 0.69 0.12 0.00 -0.49 0.00 0.00 175.26 175.48 2aoi s ALA 22 N -0.87 -0.21 -0.18 5.21 0.00 -0.17 -4.51 121.76 121.03 2aoi s ALA 22 Ca 0.18 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.62 2aoi s ALA 22 Cb -0.14 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2aoi s ALA 22 CO 0.07 -0.27 0.49 -1.17 0.00 0.00 0.00 175.76 174.87 2aoi s LEU 23 N -1.79 4.18 -0.37 0.00 2.96 0.14 -0.74 118.68 123.07 2aoi s LEU 23 Ca -0.10 0.69 -0.29 0.00 -0.22 0.00 0.00 54.13 54.21 2aoi s LEU 23 Cb -0.04 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.99 2aoi s LEU 23 CO -0.02 -0.11 1.27 -0.76 -1.32 0.00 0.00 176.35 175.41 2aoi s LEU 24 N 1.30 3.76 -0.37 -0.68 1.43 -0.24 -0.71 118.68 123.16 2aoi s LEU 24 Ca 0.24 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2aoi s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2aoi s LEU 24 CO 0.09 -1.19 0.12 -0.62 0.23 0.00 0.00 176.35 174.99 2aoi s ASP 25 N 2.88 4.33 0.16 2.29 -1.08 -0.19 -4.78 116.67 120.28 2aoi s ASP 25 Ca 0.54 -2.20 0.19 0.00 -0.52 0.00 0.00 52.55 50.57 2aoi s ASP 25 Cb -0.13 -1.32 0.83 0.00 -1.46 0.00 0.00 42.92 40.83 2aoi s ASP 25 CO 0.26 -0.35 1.60 0.35 0.52 0.00 0.00 175.17 177.55 2aoi n THR 26 N 4.15 0.94 0.44 1.71 -2.24 -1.26 -1.73 114.28 116.29 2aoi n THR 26 Ca 0.03 0.28 0.06 0.00 -2.27 0.00 0.00 64.05 62.15 2aoi n THR 26 Cb 0.39 -1.15 0.20 0.00 -2.10 0.00 0.00 70.33 67.68 2aoi n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aoi n GLY 27 N -0.13 1.36 3.33 3.38 0.00 -1.26 -4.84 105.19 107.03 2aoi n GLY 27 Ca 0.02 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2aoi n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoi s ALA 28 N -1.56 2.56 0.28 4.61 0.00 -0.71 -5.00 121.76 121.94 2aoi s ALA 28 Ca 0.30 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.36 2aoi s ALA 28 Cb 0.17 -1.20 0.42 0.00 0.00 0.00 0.00 23.12 22.52 2aoi s ALA 28 CO 0.17 0.16 1.70 -0.44 0.00 0.00 0.00 175.76 177.35 2aoi h ASP 29 N 6.90 0.36 -2.40 0.00 3.32 -1.88 -0.08 116.42 122.64 2aoi h ASP 29 Ca -0.27 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 56.06 2aoi h ASP 29 Cb 1.21 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.52 2aoi h ASP 29 CO 0.55 0.70 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.21 2aoi s ASP 30 N -6.86 3.39 -0.24 6.45 1.01 -1.26 -2.91 116.67 116.24 2aoi s ASP 30 Ca -0.05 -1.04 -0.13 0.00 0.71 0.00 0.00 52.55 52.04 2aoi s ASP 30 Cb 0.13 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.75 2aoi s ASP 30 CO 0.78 -0.01 0.25 -0.89 0.21 0.00 0.00 175.17 175.51 2aoi s THR 31 N -2.61 5.28 -0.10 -1.27 2.01 -1.26 -3.22 115.64 114.48 2aoi s THR 31 Ca 0.29 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.66 2aoi s THR 31 Cb -0.04 -3.59 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2aoi s THR 31 CO 0.13 0.28 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.54 2aoi s VAL 32 N 1.38 1.19 0.05 3.82 1.01 -0.57 -1.25 120.40 126.02 2aoi s VAL 32 Ca 0.11 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.74 2aoi s VAL 32 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2aoi s VAL 32 CO 0.07 0.38 -0.26 -0.63 0.00 0.00 0.00 175.10 174.66 2aoi s ILE 33 N 1.22 2.13 1.08 2.22 -1.09 0.21 -1.02 121.20 125.96 2aoi s ILE 33 Ca -0.03 -1.40 -0.12 0.00 -2.23 0.00 0.00 60.65 56.86 2aoi s ILE 33 Cb -0.14 -1.83 0.22 0.00 -1.58 0.00 0.00 42.46 39.13 2aoi s ILE 33 CO -0.03 0.35 0.93 -1.84 -1.23 0.00 0.00 174.94 173.11 2aoi n GLU 34 N 1.73 -1.69 -1.66 2.79 0.28 -1.25 -1.16 120.64 119.68 2aoi n GLU 34 Ca -0.17 -0.45 -0.47 0.00 -0.16 0.00 0.00 57.16 55.91 2aoi n GLU 34 Cb 0.52 -2.17 -0.04 0.00 1.43 0.00 0.00 31.44 31.18 2aoi n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aoi n GLU 35 N -4.32 2.07 -3.58 3.44 -0.58 -1.25 -4.56 120.64 111.87 2aoi n GLU 35 Ca 0.06 0.75 -0.08 0.00 -0.42 0.00 0.00 57.16 57.46 2aoi n GLU 35 Cb 0.54 -2.51 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 2aoi n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aoi s MET 36 N 1.22 1.18 0.15 3.49 0.23 -1.26 -5.05 119.30 119.26 2aoi s MET 36 Ca 0.81 -0.53 -0.20 0.00 -1.03 0.00 0.00 55.69 54.74 2aoi s MET 36 Cb -0.70 0.48 -0.07 0.00 -1.53 0.00 0.00 34.83 33.01 2aoi s MET 36 CO 0.40 -0.53 0.66 -1.12 -2.03 0.00 0.00 175.02 172.40 2aoi s SER 37 N -2.72 7.09 0.02 -1.18 0.01 -1.26 -5.04 113.70 110.62 2aoi s SER 37 Ca 0.06 1.36 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2aoi s SER 37 Cb -0.02 -2.40 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2aoi s SER 37 CO -0.06 0.16 -0.03 -0.76 0.41 0.00 0.00 173.24 172.96 2aoi s LEU 38 N -1.51 2.24 0.62 2.44 1.43 -1.26 -4.88 118.68 117.76 2aoi s LEU 38 Ca 0.36 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 2aoi s LEU 38 Cb -0.19 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 2aoi s LEU 38 CO 0.21 -0.30 1.05 -2.16 0.23 0.00 0.00 176.35 175.39 2aoi s PRO 39 N -1.46 3.26 0.11 1.29 0.04 -1.26 -4.97 135.00 132.00 2aoi s PRO 39 Ca -0.16 1.09 0.00 0.00 0.04 0.00 0.00 61.00 61.97 2aoi s PRO 39 Cb -0.10 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2aoi s PRO 39 CO -0.01 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.59 2aoi n GLY 40 N -1.40 -3.11 3.83 0.56 0.00 -1.26 -4.88 105.19 98.93 2aoi n GLY 40 Ca 0.08 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 2aoi n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aoi s ARG 41 N -0.73 3.13 0.13 1.61 1.70 -1.26 -5.07 118.95 118.47 2aoi s ARG 41 Ca 0.00 0.92 -0.02 0.00 -0.47 0.00 0.00 55.73 56.16 2aoi s ARG 41 Cb 0.00 -2.02 -0.04 0.00 -0.57 0.00 0.00 34.95 32.33 2aoi s ARG 41 CO 0.00 -0.94 0.09 1.67 -1.08 0.00 0.00 175.30 175.04 2aoi s TRP 42 N -3.04 0.78 0.03 5.89 1.48 -1.26 -4.47 118.94 118.35 2aoi s TRP 42 Ca 0.58 -1.16 -0.02 0.00 -1.06 0.00 0.00 56.10 54.43 2aoi s TRP 42 Cb -0.13 -0.41 -0.02 0.00 -1.16 0.00 0.00 33.47 31.74 2aoi s TRP 42 CO 0.53 -0.55 0.02 -1.59 -4.06 0.00 0.00 176.95 171.31 2aoi s LYS 43 N -4.03 0.47 0.46 3.25 -2.85 -0.91 -4.92 119.74 111.21 2aoi s LYS 43 Ca 0.23 -0.77 -0.21 0.00 -1.00 0.00 0.00 55.97 54.22 2aoi s LYS 43 Cb 0.07 0.17 -0.08 0.00 -2.06 0.00 0.00 37.83 35.93 2aoi s LYS 43 CO 0.01 -0.10 1.06 -1.25 0.10 0.00 0.00 175.35 175.18 2aoi s PRO 44 N -2.32 3.85 0.00 1.78 0.04 -1.26 -0.58 135.00 136.51 2aoi s PRO 44 Ca -0.08 1.47 -0.10 0.00 0.04 0.00 0.00 61.00 62.33 2aoi s PRO 44 Cb -0.03 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.27 2aoi s PRO 44 CO -0.04 -0.41 0.20 0.21 0.04 0.00 0.00 177.00 177.01 2aoi s LYS 45 N -2.97 0.57 -0.17 4.56 2.20 -0.39 -4.86 119.74 118.67 2aoi s LYS 45 Ca 0.65 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.84 2aoi s LYS 45 Cb -0.20 0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2aoi s LYS 45 CO 0.24 -0.15 0.02 -1.64 -0.36 0.00 0.00 175.35 173.46 2aoi s MET 46 N -1.50 3.82 0.11 4.03 -1.94 -1.26 -0.80 119.30 121.75 2aoi s MET 46 Ca -0.13 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.50 2aoi s MET 46 Cb -0.06 -3.08 -0.04 0.00 2.01 0.00 0.00 34.83 33.66 2aoi s MET 46 CO 0.02 0.23 -0.21 0.96 -0.01 0.00 0.00 175.02 176.01 2aoi s ILE 47 N 0.44 1.73 0.26 2.53 -4.36 -0.53 -4.97 121.20 116.30 2aoi s ILE 47 Ca -0.00 -1.57 0.11 0.00 -0.26 0.00 0.00 60.65 58.93 2aoi s ILE 47 Cb -0.13 -1.58 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 2aoi s ILE 47 CO 0.02 -0.07 -0.19 -0.83 0.24 0.00 0.00 174.94 174.10 2aoi s GLY 48 N -1.95 1.79 0.00 6.27 0.00 -1.26 -0.97 107.32 111.19 2aoi s GLY 48 Ca 0.07 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2aoi s GLY 48 CO 0.04 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.84 2aoi n GLY 49 N -0.53 2.69 3.77 0.20 0.00 -0.15 -4.98 105.19 106.19 2aoi n GLY 49 Ca -0.06 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 2aoi n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aoi s ILE 50 N -0.54 3.29 0.00 -0.61 1.01 -1.26 -2.25 121.20 120.84 2aoi s ILE 50 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.74 2aoi s ILE 50 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2aoi s ILE 50 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2aoi n GLY 51 N 0.65 3.26 0.00 6.18 0.00 -1.26 -4.93 105.19 109.09 2aoi n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2aoi n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoi n GLY 52 N -1.77 0.22 3.56 -0.02 0.00 -0.95 -5.07 105.19 101.16 2aoi n GLY 52 Ca 0.00 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 2aoi n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aoi s PHE 53 N 0.00 2.63 0.11 1.61 0.40 -1.26 -0.97 117.98 120.50 2aoi s PHE 53 Ca 0.00 -0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.17 2aoi s PHE 53 Cb 0.00 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.19 2aoi s PHE 53 CO 0.00 0.49 -0.14 0.96 0.70 0.00 0.00 175.22 177.22 2aoi s ILE 54 N -1.58 1.32 -0.10 0.64 -4.36 -0.15 -4.97 121.20 112.01 2aoi s ILE 54 Ca 0.23 -1.65 -0.16 0.00 -0.26 0.00 0.00 60.65 58.81 2aoi s ILE 54 Cb -0.09 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.10 2aoi s ILE 54 CO 0.14 -0.37 0.42 -0.75 0.24 0.00 0.00 174.94 174.62 2aoi s LYS 55 N -2.50 4.22 0.27 0.37 2.20 -1.26 -1.45 119.74 121.59 2aoi s LYS 55 Ca 0.07 0.36 0.03 0.00 -0.36 0.00 0.00 55.97 56.07 2aoi s LYS 55 Cb -0.06 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.82 2aoi s LYS 55 CO 0.03 0.30 0.05 0.14 -0.36 0.00 0.00 175.35 175.51 2aoi s VAL 56 N 0.18 0.94 -0.18 4.02 -7.23 0.02 -4.43 120.40 113.71 2aoi s VAL 56 Ca 0.23 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.33 2aoi s VAL 56 Cb -0.15 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2aoi s VAL 56 CO 0.10 -0.12 0.03 -0.13 -0.31 0.00 0.00 175.10 174.66 2aoi s ARG 57 N -3.92 3.84 -0.26 4.82 0.52 -0.14 -1.26 118.95 122.55 2aoi s ARG 57 Ca 0.34 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.99 2aoi s ARG 57 Cb 0.07 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 2aoi s ARG 57 CO 0.12 0.20 0.32 -1.14 0.02 0.00 0.00 175.30 174.82 2aoi s GLN 58 N 0.54 4.04 -0.09 3.54 0.74 0.25 -0.65 119.66 128.02 2aoi s GLN 58 Ca 0.01 -0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.40 2aoi s GLN 58 Cb -0.13 -3.62 -0.02 0.00 1.10 0.00 0.00 33.01 30.33 2aoi s GLN 58 CO 0.02 -0.18 -0.11 0.71 -0.55 0.00 0.00 175.29 175.18 2aoi s TYR 59 N 1.77 2.84 0.27 1.67 1.51 -0.47 -2.13 117.35 122.81 2aoi s TYR 59 Ca 0.13 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 56.01 2aoi s TYR 59 Cb -0.15 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2aoi s TYR 59 CO 0.09 0.09 0.15 -0.51 -1.11 0.00 0.00 175.55 174.26 2aoi s ASP 60 N -0.32 5.17 -1.34 2.29 1.01 -1.26 -0.96 116.67 121.27 2aoi s ASP 60 Ca 0.04 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.83 2aoi s ASP 60 Cb -0.13 -1.15 0.02 0.00 1.01 0.00 0.00 42.92 42.67 2aoi s ASP 60 CO 0.02 -0.09 0.91 0.00 0.21 0.00 0.00 175.17 176.22 2aoi n GLN 61 N -1.13 -5.93 -3.60 8.23 1.13 -1.17 -4.91 117.38 110.00 2aoi n GLN 61 Ca -0.06 0.70 -0.36 0.00 -1.94 0.00 0.00 57.00 55.34 2aoi n GLN 61 Cb 0.59 -5.52 -0.07 0.00 0.11 0.00 0.00 30.24 25.35 2aoi n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2aoi s ILE 62 N -3.47 5.34 -0.01 5.09 -1.09 -0.29 -4.82 121.20 121.94 2aoi s ILE 62 Ca 0.23 0.43 -0.16 0.00 -2.23 0.00 0.00 60.65 58.92 2aoi s ILE 62 Cb -0.11 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 2aoi s ILE 62 CO 0.78 0.40 0.43 -0.63 -1.23 0.00 0.00 174.94 174.70 2aoi s ILE 63 N 0.46 5.03 0.04 2.92 1.01 -1.26 -1.68 121.20 127.72 2aoi s ILE 63 Ca 0.14 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.71 2aoi s ILE 63 Cb -0.12 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2aoi s ILE 63 CO 0.02 0.53 -0.10 -0.51 0.00 0.00 0.00 174.94 174.88 2aoi s ILE 64 N -0.78 0.77 -0.22 2.92 2.07 -0.09 -4.49 121.20 121.38 2aoi s ILE 64 Ca 0.24 -1.02 -0.02 0.00 -1.41 0.00 0.00 60.65 58.44 2aoi s ILE 64 Cb -0.17 -0.77 0.00 0.00 0.13 0.00 0.00 42.46 41.66 2aoi s ILE 64 CO 0.13 -0.21 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.17 2aoi s GLU 65 N -1.37 3.19 -0.32 3.50 2.12 -0.28 -1.07 118.70 124.48 2aoi s GLU 65 Ca -0.05 -0.73 -0.04 0.00 0.36 0.00 0.00 54.97 54.51 2aoi s GLU 65 Cb -0.09 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.43 2aoi s GLU 65 CO 0.01 -0.24 0.05 0.42 -0.54 0.00 0.00 175.26 174.95 2aoi s ILE 66 N 1.41 3.37 -1.70 -3.70 1.01 0.20 -0.78 121.20 121.01 2aoi s ILE 66 Ca 0.05 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.28 2aoi s ILE 66 Cb -0.14 -2.91 0.16 0.00 0.01 0.00 0.00 42.46 39.57 2aoi s ILE 66 CO -0.05 -0.12 0.77 0.00 0.00 0.00 0.00 174.94 175.53 2aoi n ALA 67 N 4.72 -1.28 -0.37 9.38 0.00 -0.44 -1.31 120.51 131.20 2aoi n ALA 67 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2aoi n ALA 67 Cb 0.44 -3.39 0.00 0.00 0.00 0.00 0.00 19.45 16.50 2aoi n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aoi n GLY 68 N -1.41 0.82 3.32 0.00 0.00 -1.26 -5.04 105.19 101.62 2aoi n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2aoi n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aoi s HIS 69 N -2.82 2.96 0.31 1.61 4.02 -0.43 -5.08 115.29 115.87 2aoi s HIS 69 Ca 0.00 -0.88 -0.25 0.00 1.02 0.00 0.00 55.06 54.94 2aoi s HIS 69 Cb 0.00 -2.10 -0.10 0.00 -1.02 0.00 0.00 32.58 29.36 2aoi s HIS 69 CO 0.00 -0.51 0.92 0.15 1.02 0.00 0.00 174.74 176.32 2aoi s LYS 70 N 1.43 4.56 0.06 1.40 1.02 -1.26 -0.63 119.74 126.32 2aoi s LYS 70 Ca 0.05 1.29 -0.16 0.00 0.02 0.00 0.00 55.97 57.16 2aoi s LYS 70 Cb -0.14 -2.81 0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2aoi s LYS 70 CO -0.03 0.29 0.38 0.00 -0.92 0.00 0.00 175.35 175.07 2aoi s ALA 71 N -1.60 -0.89 0.02 5.17 0.00 -0.23 -4.76 121.76 119.47 2aoi s ALA 71 Ca 0.49 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.65 2aoi s ALA 71 Cb -0.18 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 2aoi s ALA 71 CO 0.23 -0.48 -0.18 -1.50 0.00 0.00 0.00 175.76 173.83 2aoi s ILE 72 N -2.80 1.44 -0.88 0.00 2.07 -1.26 -0.91 121.20 118.86 2aoi s ILE 72 Ca -0.03 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.20 2aoi s ILE 72 Cb -0.00 -1.25 0.00 0.00 0.13 0.00 0.00 42.46 41.34 2aoi s ILE 72 CO -0.05 0.22 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 2aoi n GLY 73 N 2.12 -1.25 3.74 1.50 0.00 -0.68 -4.92 105.19 105.70 2aoi n GLY 73 Ca -0.17 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 2aoi n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aoi s THR 74 N -3.00 4.03 -0.09 2.61 2.01 -1.26 -1.14 115.64 118.80 2aoi s THR 74 Ca 0.00 1.87 0.02 0.00 0.31 0.00 0.00 61.69 63.89 2aoi s THR 74 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2aoi s THR 74 CO 0.00 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.48 2aoi s VAL 75 N -0.65 1.35 -0.12 3.82 1.01 -0.13 -4.51 120.40 121.16 2aoi s VAL 75 Ca 0.45 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 2aoi s VAL 75 Cb -0.27 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2aoi s VAL 75 CO 0.34 0.41 0.20 -0.76 0.00 0.00 0.00 175.10 175.29 2aoi s LEU 76 N 0.91 4.35 -0.11 3.92 1.43 -0.38 -1.36 118.68 127.43 2aoi s LEU 76 Ca -0.09 0.50 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 2aoi s LEU 76 Cb -0.15 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2aoi s LEU 76 CO 0.00 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 175.99 2aoi s VAL 77 N -0.53 1.90 -1.53 -1.59 1.01 0.17 -0.62 120.40 119.22 2aoi s VAL 77 Ca 0.15 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2aoi s VAL 77 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2aoi s VAL 77 CO 0.04 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2aoi n GLY 78 N 3.86 -1.09 2.19 4.51 0.00 -0.31 -0.96 105.19 113.40 2aoi n GLY 78 Ca -0.20 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2aoi n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aoi n PRO 79 N 0.00 3.05 -2.68 1.61 -0.04 -1.26 -3.77 135.00 131.91 2aoi n PRO 79 Ca 0.00 -1.75 -0.41 0.00 -0.04 0.00 0.00 63.50 61.30 2aoi n PRO 79 Cb 0.00 -2.49 -0.05 0.00 -0.04 0.00 0.00 33.50 30.92 2aoi n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2aoi s THR 80 N 1.66 4.12 0.09 0.52 -1.32 -1.26 -4.95 115.64 114.49 2aoi s THR 80 Ca 0.69 1.95 0.34 0.00 -1.21 0.00 0.00 61.69 63.46 2aoi s THR 80 Cb 0.24 -4.25 0.39 0.00 -1.51 0.00 0.00 72.50 67.37 2aoi s THR 80 CO -0.04 0.39 1.98 1.55 -2.21 0.00 0.00 174.62 176.30 2aoi h PRO 81 N 4.72 0.00 -3.68 7.08 0.13 -1.98 -3.44 132.00 134.83 2aoi h PRO 81 Ca -0.44 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 2aoi h PRO 81 Cb 1.21 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.04 2aoi h PRO 81 CO 0.70 0.00 -0.72 0.08 -0.23 0.00 0.00 178.00 177.82 2aoi s VAL 82 N -3.66 -0.00 0.13 1.56 1.01 -1.26 -5.12 120.40 113.05 2aoi s VAL 82 Ca 0.01 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 2aoi s VAL 82 Cb 0.09 -0.04 -0.09 0.00 0.00 0.00 0.00 36.38 36.34 2aoi s VAL 82 CO 0.54 0.03 1.47 0.20 0.00 0.00 0.00 175.10 177.34 2aoi s ASN 83 N 0.31 6.73 -0.06 3.32 0.01 -1.26 -4.84 114.94 119.15 2aoi s ASN 83 Ca -0.03 2.43 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 2aoi s ASN 83 Cb -0.04 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2aoi s ASN 83 CO -0.01 -0.73 -0.15 0.27 -1.51 0.00 0.00 177.10 174.97 2aoi s ILE 84 N 1.24 1.34 -0.37 0.60 -4.36 -0.19 -0.68 121.20 118.78 2aoi s ILE 84 Ca 0.67 -0.63 -0.16 0.00 -0.26 0.00 0.00 60.65 60.27 2aoi s ILE 84 Cb -0.39 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.14 2aoi s ILE 84 CO 0.31 0.39 0.37 -0.63 0.24 0.00 0.00 174.94 175.62 2aoi s ILE 85 N 0.30 5.16 0.36 8.37 -1.09 0.11 -1.52 121.20 132.89 2aoi s ILE 85 Ca -0.09 -0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2aoi s ILE 85 Cb -0.13 -3.89 0.06 0.00 -1.58 0.00 0.00 42.46 36.91 2aoi s ILE 85 CO 0.03 -0.21 0.49 0.61 -1.23 0.00 0.00 174.94 174.64 2aoi n GLY 86 N 5.03 1.81 0.24 6.18 0.00 -1.20 -1.02 105.19 116.23 2aoi n GLY 86 Ca -0.09 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.83 2aoi n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aoi h ARG 87 N 0.00 0.00 -0.08 1.61 3.08 -1.06 -1.18 114.38 116.75 2aoi h ARG 87 Ca -0.17 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.91 2aoi h ARG 87 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2aoi h ARG 87 CO 0.23 0.15 0.08 -2.95 -1.07 0.00 0.00 179.97 176.41 2aoi h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.10 115.58 117.66 2aoi h ASN 88 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 2aoi h ASN 88 Cb 0.27 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.49 2aoi h ASN 88 CO 0.02 0.00 -1.75 0.18 0.07 0.00 0.00 177.43 175.94 2aoi n LEU 89 N -3.95 0.00 -0.34 6.14 4.77 -0.77 -4.46 117.00 118.38 2aoi n LEU 89 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2aoi n LEU 89 Cb 0.19 0.20 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 2aoi n LEU 89 CO 0.29 0.20 1.23 -0.07 -1.33 0.00 0.00 177.39 177.71 2aoi h LEU 90 N 0.00 0.93 -0.86 2.23 3.38 -1.02 -1.55 115.31 118.42 2aoi h LEU 90 Ca -0.22 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.81 2aoi h LEU 90 Cb 1.38 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2aoi h LEU 90 CO 0.01 0.59 0.54 0.71 0.09 0.00 0.00 178.44 180.39 2aoi h THR 91 N 1.07 1.07 0.00 0.22 1.35 -1.62 -1.98 112.91 113.02 2aoi h THR 91 Ca 0.41 -0.35 -0.08 0.00 -0.55 0.00 0.00 66.41 65.84 2aoi h THR 91 Cb 0.18 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.56 2aoi h THR 91 CO -0.18 0.18 -0.39 1.56 -0.25 0.00 0.00 175.52 176.45 2aoi h GLN 92 N 1.01 0.00 -0.10 4.72 1.08 -1.50 -1.64 115.11 118.67 2aoi h GLN 92 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 2aoi h GLN 92 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2aoi h GLN 92 CO -0.16 0.39 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 2aoi n ILE 93 N -3.73 0.12 -1.08 2.54 -5.35 -1.11 -4.93 119.36 105.82 2aoi n ILE 93 Ca -0.01 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2aoi n ILE 93 Cb 0.47 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 2aoi n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aoi n GLY 94 N 1.16 0.50 3.72 3.28 0.00 -0.62 -5.02 105.19 108.23 2aoi n GLY 94 Ca 0.17 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2aoi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoi s ALA 95 N -2.00 3.28 0.14 4.61 0.00 -0.76 -5.04 121.76 121.99 2aoi s ALA 95 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2aoi s ALA 95 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2aoi s ALA 95 CO 0.00 -0.19 -0.12 0.95 0.00 0.00 0.00 175.76 176.41 2aoi s THR 96 N 0.36 1.23 -0.15 0.00 -4.23 -1.26 -4.67 115.64 106.91 2aoi s THR 96 Ca 0.51 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.95 2aoi s THR 96 Cb -0.25 -1.72 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 2aoi s THR 96 CO 0.30 -0.62 0.30 -0.22 -0.54 0.00 0.00 174.62 173.84 2aoi s LEU 97 N -2.90 4.26 -0.03 4.79 2.96 -1.26 -5.09 118.68 121.40 2aoi s LEU 97 Ca 0.14 0.53 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2aoi s LEU 97 Cb -0.00 -2.38 0.00 0.00 0.50 0.00 0.00 46.19 44.31 2aoi s LEU 97 CO 0.02 0.12 -0.12 0.20 -1.32 0.00 0.00 176.35 175.25 2aoi s ASN 98 N 0.36 1.54 0.00 3.68 0.01 -1.26 -5.30 114.94 113.97 2aoi s ASN 98 Ca 0.17 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 2aoi s ASN 98 Cb -0.13 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.08 2aoi s ASN 98 CO 0.04 0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.94