#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bve s GLN 2 N 0.00 4.16 -0.22 0.54 0.74 -1.26 -5.05 119.66 118.57 1bve s GLN 2 Ca 0.00 0.91 -0.04 0.00 0.05 0.00 0.00 55.36 56.28 1bve s GLN 2 Cb 0.00 -2.42 0.08 0.00 1.10 0.00 0.00 33.01 31.77 1bve s GLN 2 CO 0.00 0.12 0.12 0.08 -0.55 0.00 0.00 175.29 175.07 1bve s VAL 3 N -1.98 -0.12 0.01 1.34 1.01 -1.26 -4.97 120.40 114.44 1bve s VAL 3 Ca 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bve s VAL 3 Cb -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.52 1bve s VAL 3 CO 0.17 -0.44 0.00 0.35 0.00 0.00 0.00 175.10 175.17 1bve n THR 4 N 5.27 0.11 -1.67 3.92 -2.24 -1.26 -4.96 114.28 113.45 1bve n THR 4 Ca -0.06 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1bve n THR 4 Cb 0.46 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1bve n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bve n LEU 5 N -2.60 0.00 -2.21 3.22 7.99 -1.26 -2.97 117.00 119.17 1bve n LEU 5 Ca 0.00 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 1bve n LEU 5 Cb 0.00 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.72 1bve n LEU 5 CO 0.00 0.00 0.00 0.79 -1.51 0.00 0.00 177.39 176.67 1bve n TRP 6 N -1.46 0.00 -3.57 -1.77 7.02 -1.26 -4.69 117.44 111.71 1bve n TRP 6 Ca 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.45 1bve n TRP 6 Cb 0.29 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.20 1bve n TRP 6 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1bve n GLN 7 N -0.87 0.50 -2.47 -0.99 6.02 -1.16 -5.11 117.38 113.29 1bve n GLN 7 Ca 0.00 -1.03 -0.43 0.00 -0.01 0.00 0.00 57.00 55.53 1bve n GLN 7 Cb 0.00 1.33 -0.02 0.00 1.02 0.00 0.00 30.24 32.57 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bve s ARG 8 N -2.04 4.19 -1.35 -1.09 0.52 -1.26 -4.92 118.95 113.01 1bve s ARG 8 Ca 0.11 1.53 -0.16 0.00 -0.52 0.00 0.00 55.73 56.69 1bve s ARG 8 Cb -0.02 -3.75 0.04 0.00 0.52 0.00 0.00 34.95 31.73 1bve s ARG 8 CO 0.05 -0.75 2.00 -0.35 0.02 0.00 0.00 175.30 176.27 1bve n PRO 9 N 6.65 2.88 -2.80 3.54 -0.04 -1.26 -4.96 135.00 139.01 1bve n PRO 9 Ca 0.14 -2.84 -0.33 0.00 -0.04 0.00 0.00 63.50 60.43 1bve n PRO 9 Cb 0.45 -3.38 -0.06 0.00 -0.04 0.00 0.00 33.50 30.47 1bve n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bve s LEU 10 N 3.33 3.91 0.13 1.53 1.43 -1.26 -2.72 118.68 125.04 1bve s LEU 10 Ca 0.51 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 1bve s LEU 10 Cb 0.09 -4.48 0.01 0.00 0.03 0.00 0.00 46.19 41.84 1bve s LEU 10 CO -0.00 -0.37 0.32 0.68 0.23 0.00 0.00 176.35 177.20 1bve s VAL 11 N -2.22 0.09 -0.36 -1.59 -7.23 -0.29 -4.92 120.40 103.88 1bve s VAL 11 Ca 0.61 -1.02 -0.16 0.00 -1.81 0.00 0.00 61.98 59.59 1bve s VAL 11 Cb -0.09 -1.46 -0.00 0.00 0.56 0.00 0.00 36.38 35.38 1bve s VAL 11 CO 0.16 -0.40 0.42 -0.89 -0.31 0.00 0.00 175.10 174.08 1bve s THR 12 N -3.88 5.11 0.49 5.32 2.01 -1.26 0.16 115.64 123.59 1bve s THR 12 Ca 0.08 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1bve s THR 12 Cb 0.03 -3.91 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1bve s THR 12 CO -0.07 -0.20 0.68 0.27 -0.69 0.00 0.00 174.62 174.60 1bve s ILE 13 N 2.15 2.74 -0.29 1.82 -4.36 -0.88 -4.46 121.20 117.92 1bve s ILE 13 Ca 0.14 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 59.62 1bve s ILE 13 Cb -0.16 -2.84 0.09 0.00 1.25 0.00 0.00 42.46 40.79 1bve s ILE 13 CO 0.13 0.00 0.08 -0.75 0.24 0.00 0.00 174.94 174.63 1bve s LYS 14 N -4.54 0.78 -0.09 0.37 2.20 -0.39 -2.77 119.74 115.29 1bve s LYS 14 Ca 0.57 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 55.25 1bve s LYS 14 Cb -0.09 -2.07 -0.01 0.00 -1.51 0.00 0.00 37.83 34.16 1bve s LYS 14 CO 0.36 -0.90 -0.21 0.42 -0.36 0.00 0.00 175.35 174.65 1bve s ILE 15 N 1.63 2.32 -1.27 5.43 1.01 -0.89 -1.54 121.20 127.89 1bve s ILE 15 Ca 0.07 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.69 1bve s ILE 15 Cb -0.17 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1bve s ILE 15 CO -0.21 0.56 1.11 0.61 0.00 0.00 0.00 174.94 177.01 1bve n GLY 16 N 3.29 -0.45 2.57 6.18 0.00 -1.26 -1.08 105.19 114.43 1bve n GLY 16 Ca -0.18 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1bve n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 17 N -1.91 1.49 3.78 -0.02 0.00 -1.26 -4.96 105.19 102.30 1bve n GLY 17 Ca 0.01 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1bve n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bve s GLN 18 N -3.23 2.26 -0.06 1.61 -1.52 -0.24 -5.13 119.66 113.35 1bve s GLN 18 Ca 0.00 -1.86 -0.03 0.00 -1.95 0.00 0.00 55.36 51.52 1bve s GLN 18 Cb 0.00 -2.02 0.04 0.00 -0.22 0.00 0.00 33.01 30.81 1bve s GLN 18 CO 0.00 -0.21 0.13 -0.51 -0.25 0.00 0.00 175.29 174.46 1bve s LEU 19 N -3.98 0.52 0.00 2.90 1.43 -1.26 -2.10 118.68 116.19 1bve s LEU 19 Ca 0.39 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1bve s LEU 19 Cb 0.02 0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.51 1bve s LEU 19 CO 0.22 -0.18 0.00 0.29 0.23 0.00 0.00 176.35 176.91 1bve n LYS 20 N 4.55 0.00 0.00 1.70 5.02 -1.12 -4.99 118.16 123.32 1bve n LYS 20 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1bve n LYS 20 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1bve n LYS 20 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bve n GLU 21 N 0.00 0.17 -2.83 1.97 1.02 -1.26 -2.07 120.64 117.64 1bve n GLU 21 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bve n GLU 21 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.43 1bve n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bve s ALA 22 N -3.94 -3.84 -0.78 0.62 0.00 0.43 -3.82 121.76 110.43 1bve s ALA 22 Ca 0.00 0.76 -0.25 0.00 0.00 0.00 0.00 51.96 52.47 1bve s ALA 22 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1bve s ALA 22 CO 0.00 -2.43 1.76 -1.17 0.00 0.00 0.00 175.76 173.92 1bve s LEU 23 N 1.62 3.25 -0.90 0.00 2.96 0.86 -1.14 118.68 125.34 1bve s LEU 23 Ca 0.18 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.58 1bve s LEU 23 Cb 0.04 -2.55 -0.25 0.00 0.50 0.00 0.00 46.19 43.93 1bve s LEU 23 CO -0.11 -2.32 2.28 0.18 -1.32 0.00 0.00 176.35 175.05 1bve n LEU 24 N 12.22 0.03 -4.33 -0.68 4.77 -1.10 -2.69 117.00 125.23 1bve n LEU 24 Ca 0.26 -0.95 -0.47 0.00 -0.03 0.00 0.00 56.01 54.83 1bve n LEU 24 Cb 0.50 -1.05 -0.03 0.00 -2.33 0.00 0.00 43.42 40.51 1bve n LEU 24 CO 0.67 -1.95 0.37 -0.62 -1.33 0.00 0.00 177.39 174.52 1bve s ASP 25 N 5.07 6.59 0.00 -1.43 -1.08 0.10 -4.75 116.67 121.17 1bve s ASP 25 Ca 1.15 -2.40 0.21 0.00 -0.52 0.00 0.00 52.55 50.98 1bve s ASP 25 Cb -0.54 -2.22 1.16 0.00 -1.46 0.00 0.00 42.92 39.87 1bve s ASP 25 CO 0.35 -0.68 1.63 0.41 0.52 0.00 0.00 175.17 177.40 1bve n THR 26 N 4.40 0.14 0.07 1.71 -1.04 -1.26 -2.67 114.28 115.64 1bve n THR 26 Ca 0.06 0.03 -0.18 0.00 -2.04 0.00 0.00 64.05 61.93 1bve n THR 26 Cb 0.45 -0.71 -0.14 0.00 -1.82 0.00 0.00 70.33 68.11 1bve n THR 26 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bve h GLY 27 N 3.28 0.32 -3.97 3.41 0.00 -1.89 -3.44 103.07 100.79 1bve h GLY 27 Ca 0.00 -0.83 -0.51 0.00 0.00 0.00 0.00 47.33 46.00 1bve h GLY 27 CO 0.00 0.72 0.36 0.00 0.00 0.00 0.00 176.54 177.62 1bve s ALA 28 N -2.61 3.28 0.32 3.60 0.00 -1.09 -4.92 121.76 120.34 1bve s ALA 28 Ca -0.09 0.60 0.38 0.00 0.00 0.00 0.00 51.96 52.84 1bve s ALA 28 Cb 0.07 -3.25 1.87 0.00 0.00 0.00 0.00 23.12 21.80 1bve s ALA 28 CO 0.86 0.06 2.14 -0.44 0.00 0.00 0.00 175.76 178.38 1bve h ASP 29 N 5.01 0.00 -4.55 0.00 3.32 -1.87 -1.82 116.42 116.51 1bve h ASP 29 Ca -0.44 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.20 1bve h ASP 29 Cb 1.21 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.65 1bve h ASP 29 CO 0.70 0.00 -0.38 0.47 -1.72 0.00 0.00 179.24 178.31 1bve n ASP 30 N -2.96 -0.81 -4.37 6.45 9.92 -1.26 -2.93 116.55 120.59 1bve n ASP 30 Ca -0.01 -3.04 -0.46 0.00 -0.53 0.00 0.00 54.79 50.75 1bve n ASP 30 Cb 0.16 1.78 -0.02 0.00 -0.64 0.00 0.00 41.12 42.39 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1bve s THR 31 N -3.19 5.32 0.86 -3.53 2.01 -0.92 -1.24 115.64 114.94 1bve s THR 31 Ca 0.36 -2.21 -0.11 0.00 0.31 0.00 0.00 61.69 60.04 1bve s THR 31 Cb 0.01 -4.59 0.11 0.00 0.01 0.00 0.00 72.50 68.04 1bve s THR 31 CO 0.26 -1.21 1.09 0.54 -0.69 0.00 0.00 174.62 174.61 1bve s VAL 32 N 1.00 2.85 -0.26 3.82 0.11 0.97 -0.77 120.40 128.12 1bve s VAL 32 Ca 0.24 0.28 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 1bve s VAL 32 Cb -0.08 -2.74 0.07 0.00 -1.53 0.00 0.00 36.38 32.10 1bve s VAL 32 CO -0.09 -0.36 0.64 -0.76 -3.33 0.00 0.00 175.10 171.20 1bve s LEU 33 N -6.15 -0.75 1.01 2.54 1.02 0.28 -0.34 118.68 116.30 1bve s LEU 33 Ca 0.63 1.39 -0.20 0.00 0.02 0.00 0.00 54.13 55.97 1bve s LEU 33 Cb -0.18 2.21 -0.10 0.00 0.02 0.00 0.00 46.19 48.14 1bve s LEU 33 CO 0.57 -0.23 -0.78 1.21 0.02 0.00 0.00 176.35 177.13 1bve n GLU 34 N 4.04 -0.27 -1.70 1.70 2.13 -1.09 -1.58 120.64 123.87 1bve n GLU 34 Ca -0.19 -0.07 -0.43 0.00 0.66 0.00 0.00 57.16 57.12 1bve n GLU 34 Cb 0.58 -1.22 -0.02 0.00 0.27 0.00 0.00 31.44 31.05 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bve n GLU 35 N 1.27 2.33 -0.86 5.31 2.13 0.51 -4.19 120.64 127.15 1bve n GLU 35 Ca -0.00 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1bve n GLU 35 Cb 0.63 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.79 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve n MET 36 N 2.20 0.00 -4.32 5.31 0.00 -1.26 -4.98 117.12 114.06 1bve n MET 36 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 57.70 57.46 1bve n MET 36 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.46 1bve n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1bve s SER 37 N -0.27 5.29 0.23 3.17 0.15 -1.26 -5.06 113.70 115.94 1bve s SER 37 Ca 0.00 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.75 1bve s SER 37 Cb 0.00 -1.57 -0.03 0.00 -1.71 0.00 0.00 66.02 62.71 1bve s SER 37 CO 0.00 0.35 0.24 -0.76 1.20 0.00 0.00 173.24 174.27 1bve s LEU 38 N -0.68 0.98 0.00 3.45 1.43 -1.26 -4.70 118.68 117.90 1bve s LEU 38 Ca 0.11 -1.31 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1bve s LEU 38 Cb -0.12 0.79 0.00 0.00 0.03 0.00 0.00 46.19 46.89 1bve s LEU 38 CO 0.02 -0.95 0.00 -0.81 0.23 0.00 0.00 176.35 174.84 1bve n PRO 39 N -0.34 1.96 -1.11 1.29 -0.04 -1.26 -5.08 135.00 130.42 1bve n PRO 39 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1bve n PRO 39 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 1bve n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bve n GLY 40 N 2.56 3.66 1.96 0.55 0.00 -1.26 -4.86 105.19 107.81 1bve n GLY 40 Ca 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 46.02 43.83 1bve n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bve n ARG 41 N -0.34 -1.60 -3.81 1.61 1.74 -1.26 -4.89 116.66 108.11 1bve n ARG 41 Ca 0.00 0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 57.17 1bve n ARG 41 Cb 0.00 -3.36 -0.05 0.00 -1.02 0.00 0.00 32.46 28.03 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1bve n TRP 42 N -2.09 0.42 -3.86 -1.55 4.27 -1.26 -4.13 117.44 109.25 1bve n TRP 42 Ca -0.07 -1.84 -0.09 0.00 -3.89 0.00 0.00 57.50 51.61 1bve n TRP 42 Cb 0.55 -0.11 -0.07 0.00 -1.36 0.00 0.00 31.31 30.33 1bve n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bve s LYS 43 N -3.20 0.91 0.42 -2.67 1.02 -1.00 -4.90 119.74 110.33 1bve s LYS 43 Ca 0.08 -0.98 -0.23 0.00 0.02 0.00 0.00 55.97 54.87 1bve s LYS 43 Cb 0.00 0.36 -0.09 0.00 -0.52 0.00 0.00 37.83 37.58 1bve s LYS 43 CO 0.06 -0.30 1.03 -1.25 -0.92 0.00 0.00 175.35 173.97 1bve s PRO 44 N -3.87 4.08 0.16 -1.68 0.04 -1.26 -0.46 135.00 132.00 1bve s PRO 44 Ca 0.07 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.46 1bve s PRO 44 Cb 0.04 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 1bve s PRO 44 CO -0.09 -0.20 0.24 0.15 0.04 0.00 0.00 177.00 177.14 1bve s LYS 45 N -2.76 1.12 -0.21 4.56 -0.14 0.23 -4.79 119.74 117.75 1bve s LYS 45 Ca 0.61 -1.23 -0.04 0.00 -1.36 0.00 0.00 55.97 53.94 1bve s LYS 45 Cb -0.19 0.35 0.10 0.00 -1.68 0.00 0.00 37.83 36.41 1bve s LYS 45 CO 0.24 -0.39 0.30 1.41 -0.76 0.00 0.00 175.35 176.15 1bve s MET 46 N -3.99 0.26 -0.17 1.68 1.75 -1.26 -1.75 119.30 115.81 1bve s MET 46 Ca 0.19 0.48 -0.06 0.00 -1.25 0.00 0.00 55.69 55.05 1bve s MET 46 Cb 0.04 -0.62 -0.03 0.00 2.84 0.00 0.00 34.83 37.05 1bve s MET 46 CO 0.01 -0.56 0.02 0.96 -0.65 0.00 0.00 175.02 174.79 1bve s ILE 47 N 2.45 4.38 -0.37 10.11 -4.36 -1.03 -4.95 121.20 127.43 1bve s ILE 47 Ca 0.08 -0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.30 1bve s ILE 47 Cb -0.15 -2.96 0.10 0.00 1.25 0.00 0.00 42.46 40.71 1bve s ILE 47 CO -0.13 0.47 0.11 -0.83 0.24 0.00 0.00 174.94 174.80 1bve s GLY 48 N 0.42 1.95 0.00 6.27 0.00 -1.26 -1.46 107.32 113.23 1bve s GLY 48 Ca 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 44.72 42.24 1bve s GLY 48 CO 0.01 0.96 0.00 0.61 0.00 0.00 0.00 173.10 174.68 1bve n GLY 49 N 4.42 1.95 3.63 0.20 0.00 -0.98 -4.96 105.19 109.46 1bve n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1bve n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bve s ILE 50 N 3.86 4.82 0.00 -0.61 1.01 -1.26 -3.92 121.20 125.10 1bve s ILE 50 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1bve s ILE 50 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1bve s ILE 50 CO 0.00 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1bve n GLY 51 N 3.89 2.60 0.00 6.18 0.00 -1.26 -4.99 105.19 111.60 1bve n GLY 51 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1bve n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 52 N 0.00 -0.68 3.46 -0.02 0.00 -1.25 -5.13 105.19 101.56 1bve n GLY 52 Ca 0.00 -1.07 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -3.00 2.63 0.43 1.61 0.40 -1.26 -2.33 117.98 116.46 1bve s PHE 53 Ca 0.00 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 1bve s PHE 53 Cb 0.00 -1.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 1bve s PHE 53 CO 0.00 0.20 0.11 0.96 0.70 0.00 0.00 175.22 177.19 1bve s ILE 54 N -0.80 0.68 -0.07 0.64 -4.36 -0.54 -4.99 121.20 111.76 1bve s ILE 54 Ca 0.13 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 1bve s ILE 54 Cb -0.11 -2.31 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1bve s ILE 54 CO 0.02 0.00 -0.11 -0.54 0.24 0.00 0.00 174.94 174.55 1bve s LYS 55 N -3.73 2.77 0.10 0.37 3.01 -1.26 -2.48 119.74 118.52 1bve s LYS 55 Ca 0.21 -0.64 -0.05 0.00 -1.01 0.00 0.00 55.97 54.48 1bve s LYS 55 Cb 0.02 -2.51 -0.02 0.00 -1.01 0.00 0.00 37.83 34.31 1bve s LYS 55 CO 0.13 0.56 0.12 0.14 0.51 0.00 0.00 175.35 176.81 1bve s VAL 56 N -0.55 0.15 0.39 3.17 -7.23 -0.72 -3.40 120.40 112.21 1bve s VAL 56 Ca 0.08 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 1bve s VAL 56 Cb -0.12 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.30 1bve s VAL 56 CO 0.02 -0.67 0.43 0.54 -0.31 0.00 0.00 175.10 175.11 1bve n ARG 57 N -0.04 0.82 -3.61 4.82 1.74 0.33 0.76 116.66 121.48 1bve n ARG 57 Ca -0.12 -2.24 -0.29 0.00 -0.77 0.00 0.00 57.85 54.43 1bve n ARG 57 Cb 0.62 0.02 -0.15 0.00 -1.02 0.00 0.00 32.46 31.93 1bve n ARG 57 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1bve s GLN 58 N -3.68 0.34 -0.62 5.56 0.74 0.39 -2.57 119.66 119.82 1bve s GLN 58 Ca 0.32 -0.63 -0.12 0.00 0.05 0.00 0.00 55.36 54.99 1bve s GLN 58 Cb -0.03 -1.49 0.16 0.00 1.10 0.00 0.00 33.01 32.76 1bve s GLN 58 CO 0.21 -0.96 0.53 0.71 -0.55 0.00 0.00 175.29 175.23 1bve s TYR 59 N 1.96 3.48 0.26 1.67 2.02 -0.96 -2.37 117.35 123.43 1bve s TYR 59 Ca 0.08 -1.85 -0.29 0.00 -0.37 0.00 0.00 57.07 54.64 1bve s TYR 59 Cb -0.16 -3.65 -0.09 0.00 -0.40 0.00 0.00 41.96 37.65 1bve s TYR 59 CO -0.30 -0.98 0.97 -0.51 -1.57 0.00 0.00 175.55 173.16 1bve s ASP 60 N 2.54 7.51 -0.17 2.29 1.01 -1.26 -1.28 116.67 127.31 1bve s ASP 60 Ca 0.10 1.99 -0.01 0.00 0.71 0.00 0.00 52.55 55.35 1bve s ASP 60 Cb -0.22 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.10 1bve s ASP 60 CO -0.03 0.05 0.15 0.00 0.21 0.00 0.00 175.17 175.56 1bve n GLN 61 N 1.25 -0.34 -4.42 8.23 1.13 0.17 -4.93 117.38 118.46 1bve n GLN 61 Ca -0.01 0.37 -0.31 0.00 -1.94 0.00 0.00 57.00 55.11 1bve n GLN 61 Cb 0.47 -2.28 -0.16 0.00 0.11 0.00 0.00 30.24 28.38 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bve s ILE 62 N -3.04 1.87 -1.10 5.09 -1.09 0.18 -4.79 121.20 118.32 1bve s ILE 62 Ca 0.05 -0.85 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 1bve s ILE 62 Cb -0.01 -1.68 -0.11 0.00 -1.58 0.00 0.00 42.46 39.08 1bve s ILE 62 CO 0.13 0.51 2.00 -0.22 -1.23 0.00 0.00 174.94 176.13 1bve s LEU 63 N 1.05 2.93 -0.25 2.97 1.98 -1.26 -1.62 118.68 124.48 1bve s LEU 63 Ca -0.03 -1.28 -0.16 0.00 -2.89 0.00 0.00 54.13 49.77 1bve s LEU 63 Cb -0.14 -2.58 -0.03 0.00 0.66 0.00 0.00 46.19 44.09 1bve s LEU 63 CO -0.05 -3.39 0.42 -0.51 -1.89 0.00 0.00 176.35 170.93 1bve s ILE 64 N 12.20 5.15 0.09 6.68 2.07 0.21 -4.37 121.20 143.22 1bve s ILE 64 Ca 0.72 0.70 -0.19 0.00 -1.41 0.00 0.00 60.65 60.47 1bve s ILE 64 Cb -0.03 -3.75 -0.07 0.00 0.13 0.00 0.00 42.46 38.74 1bve s ILE 64 CO 0.11 0.16 0.58 -0.70 -1.91 0.00 0.00 174.94 173.18 1bve s GLU 65 N 1.96 4.19 0.37 3.50 2.12 -0.59 -0.61 118.70 129.65 1bve s GLU 65 Ca 0.18 0.73 0.04 0.00 0.36 0.00 0.00 54.97 56.28 1bve s GLU 65 Cb -0.15 -3.20 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 1bve s GLU 65 CO 0.09 0.62 0.05 0.42 -0.54 0.00 0.00 175.26 175.90 1bve s ILE 66 N -1.15 1.26 0.35 -3.70 -1.09 -0.66 -1.26 121.20 114.94 1bve s ILE 66 Ca 0.30 -2.00 0.14 0.00 -2.23 0.00 0.00 60.65 56.86 1bve s ILE 66 Cb -0.19 -2.71 0.35 0.00 -1.58 0.00 0.00 42.46 38.33 1bve s ILE 66 CO 0.19 0.00 1.73 0.00 -1.23 0.00 0.00 174.94 175.63 1bve h GLY 68 N 0.47 0.32 0.00 0.00 0.00 -1.97 -3.48 103.07 98.40 1bve h GLY 68 Ca 0.65 0.10 0.00 0.00 0.00 0.00 0.00 47.33 48.08 1bve h GLY 68 CO -0.43 -0.13 0.00 1.42 0.00 0.00 0.00 176.54 177.40 1bve n HIS 69 N -5.26 0.00 -1.16 5.60 8.25 0.47 -5.06 115.22 118.06 1bve n HIS 69 Ca 0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1bve n HIS 69 Cb 0.21 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 1bve n HIS 69 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bve n LYS 70 N -0.65 0.00 -3.39 -0.41 4.01 -1.26 -1.66 118.16 114.80 1bve n LYS 70 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.82 1bve n LYS 70 Cb 0.00 -0.85 -0.03 0.00 -0.51 0.00 0.00 35.03 33.65 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bve s ALA 71 N -0.79 -2.29 0.34 7.82 0.00 0.22 -4.76 121.76 122.31 1bve s ALA 71 Ca 0.54 2.06 -0.15 0.00 0.00 0.00 0.00 51.96 54.42 1bve s ALA 71 Cb -0.78 -2.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.24 1bve s ALA 71 CO 0.46 -1.13 0.75 0.42 0.00 0.00 0.00 175.76 176.27 1bve s ILE 72 N 2.84 4.68 0.00 0.00 -1.09 -1.26 0.66 121.20 127.04 1bve s ILE 72 Ca 0.06 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 1bve s ILE 72 Cb -0.13 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 1bve s ILE 72 CO -0.19 -0.24 0.00 0.61 -1.23 0.00 0.00 174.94 173.89 1bve n GLY 73 N -0.52 1.40 3.29 6.18 0.00 -0.64 -4.81 105.19 110.09 1bve n GLY 73 Ca 0.04 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 1bve n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bve s THR 74 N -1.61 3.76 -0.38 2.61 2.01 -1.26 0.41 115.64 121.18 1bve s THR 74 Ca 0.00 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.92 1bve s THR 74 Cb 0.00 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 69.51 1bve s THR 74 CO 0.00 -0.06 0.20 -0.69 -0.69 0.00 0.00 174.62 173.38 1bve s VAL 75 N 1.42 4.31 0.24 3.82 1.01 -0.41 -2.17 120.40 128.62 1bve s VAL 75 Ca -0.00 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1bve s VAL 75 Cb -0.19 -3.49 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1bve s VAL 75 CO 0.02 -0.31 0.97 -0.76 0.00 0.00 0.00 175.10 175.01 1bve s LEU 76 N 1.48 4.62 -0.27 3.92 1.02 0.05 -2.25 118.68 127.26 1bve s LEU 76 Ca 0.01 1.99 -0.01 0.00 0.02 0.00 0.00 54.13 56.14 1bve s LEU 76 Cb -0.20 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.44 1bve s LEU 76 CO 0.04 0.10 -0.06 -0.69 0.02 0.00 0.00 176.35 175.76 1bve s VAL 77 N -1.08 2.74 0.08 -1.59 1.01 -1.06 0.10 120.40 120.60 1bve s VAL 77 Ca 0.42 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1bve s VAL 77 Cb -0.27 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1bve s VAL 77 CO 0.33 0.06 0.12 0.61 0.00 0.00 0.00 175.10 176.21 1bve n GLY 78 N 4.60 2.82 1.64 4.51 0.00 -0.61 -0.51 105.19 117.64 1bve n GLY 78 Ca -0.15 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 1bve n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bve n PRO 79 N -0.13 1.27 -2.73 1.61 -0.04 -1.22 0.19 135.00 133.96 1bve n PRO 79 Ca -0.00 -0.39 -0.39 0.00 -0.04 0.00 0.00 63.50 62.68 1bve n PRO 79 Cb 0.13 -1.24 -0.06 0.00 -0.04 0.00 0.00 33.50 32.29 1bve n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bve s THR 80 N -0.20 4.05 -0.99 0.52 -1.32 -1.26 -4.92 115.64 111.51 1bve s THR 80 Ca 0.15 1.93 0.00 0.00 -1.21 0.00 0.00 61.69 62.55 1bve s THR 80 Cb 0.08 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 1bve s THR 80 CO -0.01 0.36 0.51 -0.81 -2.21 0.00 0.00 174.62 172.46 1bve n PRO 81 N 1.12 1.01 -3.71 7.08 -0.04 -1.26 -3.84 135.00 135.36 1bve n PRO 81 Ca -0.00 -0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1bve n PRO 81 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.42 1bve n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bve s VAL 82 N -1.00 0.00 -0.81 0.52 1.01 -1.26 -5.03 120.40 113.82 1bve s VAL 82 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 1bve s VAL 82 Cb 0.00 -1.68 0.21 0.00 0.00 0.00 0.00 36.38 34.92 1bve s VAL 82 CO 0.00 0.00 0.75 0.20 0.00 0.00 0.00 175.10 176.05 1bve s ASN 83 N -2.86 6.69 -0.22 3.32 0.01 -1.26 -2.68 114.94 117.95 1bve s ASN 83 Ca 0.08 -2.67 -0.29 0.00 -0.71 0.00 0.00 52.86 49.27 1bve s ASN 83 Cb -0.04 -2.20 0.01 0.00 0.41 0.00 0.00 41.25 39.43 1bve s ASN 83 CO 0.00 -0.58 1.08 -0.63 -1.51 0.00 0.00 177.10 175.47 1bve s ILE 84 N 0.20 4.61 -0.47 0.60 -1.09 0.54 -0.10 121.20 125.50 1bve s ILE 84 Ca 0.17 1.94 -0.16 0.00 -2.23 0.00 0.00 60.65 60.38 1bve s ILE 84 Cb -0.11 -4.25 0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1bve s ILE 84 CO -0.08 -0.17 0.42 -0.63 -1.23 0.00 0.00 174.94 173.24 1bve s ILE 85 N 3.24 5.18 0.00 2.92 -1.09 -1.09 -0.02 121.20 130.34 1bve s ILE 85 Ca 0.46 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.98 1bve s ILE 85 Cb -0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1bve s ILE 85 CO 0.08 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 173.83 1bve n GLY 86 N 5.19 1.33 0.23 6.18 0.00 -0.38 0.02 105.19 117.76 1bve n GLY 86 Ca -0.11 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1bve n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bve h ARG 87 N 0.00 0.79 0.00 1.61 2.47 -1.29 -2.44 114.38 115.52 1bve h ARG 87 Ca 0.00 -0.47 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1bve h ARG 87 Cb 0.00 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1bve h ARG 87 CO 0.00 1.10 0.27 -2.95 0.56 0.00 0.00 179.97 178.95 1bve h ASN 88 N 0.56 0.00 0.00 7.04 -0.00 -1.83 0.23 115.58 121.58 1bve h ASN 88 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.31 1bve h ASN 88 Cb 1.02 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.34 1bve h ASN 88 CO 0.10 0.00 -1.73 0.18 -0.00 0.00 0.00 177.43 175.97 1bve n LEU 89 N -2.33 0.00 -0.05 6.14 7.99 -1.06 -4.18 117.00 123.51 1bve n LEU 89 Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 56.01 56.13 1bve n LEU 89 Cb 0.30 0.03 0.81 0.00 -0.11 0.00 0.00 43.42 44.45 1bve n LEU 89 CO 0.09 0.03 1.02 0.18 -1.51 0.00 0.00 177.39 177.20 1bve n LEU 90 N -2.08 0.15 -0.00 2.23 4.77 0.75 -3.15 117.00 119.67 1bve n LEU 90 Ca -0.05 -0.05 0.09 0.00 -0.03 0.00 0.00 56.01 55.98 1bve n LEU 90 Cb 0.45 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1bve n LEU 90 CO 0.33 0.03 -0.05 0.35 -1.33 0.00 0.00 177.39 176.71 1bve n THR 91 N -0.83 0.00 -0.07 -5.08 -2.24 -0.91 -0.99 114.28 104.16 1bve n THR 91 Ca 0.21 -0.03 -0.20 0.00 -2.27 0.00 0.00 64.05 61.76 1bve n THR 91 Cb 0.12 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.22 1bve n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n GLN 92 N -1.48 0.70 -0.00 -0.78 -0.00 -1.19 -3.94 117.38 110.69 1bve n GLN 92 Ca 0.04 0.22 0.11 0.00 -0.00 0.00 0.00 57.00 57.37 1bve n GLN 92 Cb 0.31 -1.61 0.63 0.00 -0.00 0.00 0.00 30.24 29.56 1bve n GLN 92 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 1bve n ILE 93 N -3.45 0.01 -2.62 -0.39 -5.35 -1.25 -4.88 119.36 101.42 1bve n ILE 93 Ca -0.39 -0.02 -0.08 0.00 -0.27 0.00 0.00 62.75 61.99 1bve n ILE 93 Cb 1.00 -0.30 0.04 0.00 -1.74 0.00 0.00 39.64 38.64 1bve n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bve n GLY 94 N 0.85 -0.02 3.78 3.28 0.00 -1.25 -4.95 105.19 106.88 1bve n GLY 94 Ca 0.16 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1bve n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve s ALA 95 N -3.19 3.16 -0.03 4.61 0.00 -0.16 -5.03 121.76 121.12 1bve s ALA 95 Ca 0.07 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1bve s ALA 95 Cb -0.01 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1bve s ALA 95 CO 0.37 -0.04 0.05 0.95 0.00 0.00 0.00 175.76 177.09 1bve s THR 96 N -1.62 -0.08 -0.68 0.00 -4.23 -1.26 -4.86 115.64 102.91 1bve s THR 96 Ca 0.54 0.35 -0.24 0.00 -1.18 0.00 0.00 61.69 61.15 1bve s THR 96 Cb -0.21 -0.14 0.05 0.00 1.34 0.00 0.00 72.50 73.54 1bve s THR 96 CO 0.27 0.15 1.09 -0.76 -0.54 0.00 0.00 174.62 174.83 1bve s LEU 97 N 1.81 3.88 -0.28 4.79 1.02 -1.26 -4.98 118.68 123.66 1bve s LEU 97 Ca 0.00 -0.71 -0.12 0.00 0.02 0.00 0.00 54.13 53.33 1bve s LEU 97 Cb -0.12 -2.52 -0.05 0.00 0.02 0.00 0.00 46.19 43.52 1bve s LEU 97 CO -0.03 -1.58 0.23 0.20 0.02 0.00 0.00 176.35 175.19 1bve s ASN 98 N 3.62 6.07 0.00 2.29 0.02 -1.26 -5.30 114.94 120.38 1bve s ASN 98 Ca 0.28 0.05 0.00 0.00 -1.02 0.00 0.00 52.86 52.17 1bve s ASN 98 Cb -0.13 -2.14 0.00 0.00 0.02 0.00 0.00 41.25 39.00 1bve s ASN 98 CO 0.13 -0.08 0.02 2.22 0.02 0.00 0.00 177.10 179.41