#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 4.53 -0.14 -0.52 0.74 -1.26 -5.04 119.66 117.96 1bve s GLN 2 Ca 0.00 1.11 -0.02 0.00 0.05 0.00 0.00 55.36 56.50 1bve s GLN 2 Cb 0.00 -3.32 0.04 0.00 1.10 0.00 0.00 33.01 30.83 1bve s GLN 2 CO 0.00 0.40 0.00 0.08 -0.55 0.00 0.00 175.29 175.22 1bve s VAL 3 N -0.49 0.61 -0.52 1.34 1.01 -1.26 -4.97 120.40 116.12 1bve s VAL 3 Ca 0.38 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 62.14 1bve s VAL 3 Cb -0.22 -0.91 0.11 0.00 0.00 0.00 0.00 36.38 35.36 1bve s VAL 3 CO 0.24 0.05 1.31 0.35 0.00 0.00 0.00 175.10 177.06 1bve n THR 4 N 5.04 1.39 -0.33 3.92 -2.24 -1.26 -4.77 114.28 116.03 1bve n THR 4 Ca -0.09 0.63 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 1bve n THR 4 Cb 0.48 -1.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -1.88 0.00 0.32 3.22 4.77 -1.26 -4.83 117.00 117.34 1bve n LEU 5 Ca -0.01 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.13 1bve n LEU 5 Cb 0.05 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 41.99 1bve n LEU 5 CO 0.05 0.00 1.13 -0.50 -1.33 0.00 0.00 177.39 176.74 1bve h TRP 6 N 0.00 0.00 -3.88 -1.77 -0.00 -2.03 -3.40 115.95 104.87 1bve h TRP 6 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.89 58.66 1bve h TRP 6 Cb 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 29.16 29.00 1bve h TRP 6 CO 0.00 0.00 -0.70 -1.14 -0.00 0.00 0.00 178.44 176.60 1bve s GLN 7 N -4.14 0.75 0.00 0.49 2.00 -1.26 -5.10 119.66 112.39 1bve s GLN 7 Ca -0.04 -1.19 -0.30 0.00 -2.00 0.00 0.00 55.36 51.84 1bve s GLN 7 Cb 0.09 -0.20 -0.07 0.00 0.80 0.00 0.00 33.01 33.64 1bve s GLN 7 CO 0.30 -0.01 1.60 1.03 -0.50 0.00 0.00 175.29 177.72 1bve s ARG 8 N -3.28 4.21 -1.26 1.67 0.52 -1.26 -4.88 118.95 114.66 1bve s ARG 8 Ca 0.06 2.19 -0.20 0.00 -0.52 0.00 0.00 55.73 57.27 1bve s ARG 8 Cb 0.02 -3.75 0.01 0.00 0.52 0.00 0.00 34.95 31.74 1bve s ARG 8 CO -0.04 -0.75 1.81 -1.25 0.02 0.00 0.00 175.30 175.10 1bve s PRO 9 N 3.17 3.42 0.23 3.54 0.04 -1.26 -4.96 135.00 139.18 1bve s PRO 9 Ca 0.72 -1.68 -0.11 0.00 0.04 0.00 0.00 61.00 59.96 1bve s PRO 9 Cb -0.35 -5.43 -0.07 0.00 0.04 0.00 0.00 34.50 28.69 1bve s PRO 9 CO 0.30 -2.92 0.58 -0.51 0.04 0.00 0.00 177.00 174.48 1bve s LEU 10 N 6.84 4.17 0.10 -3.56 1.43 -1.26 -3.10 118.68 123.30 1bve s LEU 10 Ca 0.59 1.00 -0.13 0.00 -1.03 0.00 0.00 54.13 54.56 1bve s LEU 10 Cb 0.02 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1bve s LEU 10 CO 0.10 -0.07 0.32 0.68 0.23 0.00 0.00 176.35 177.61 1bve s VAL 11 N -1.80 0.10 -0.51 -1.59 -7.23 -0.26 -4.89 120.40 104.22 1bve s VAL 11 Ca 0.47 -0.80 -0.19 0.00 -1.81 0.00 0.00 61.98 59.66 1bve s VAL 11 Cb -0.12 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.69 1bve s VAL 11 CO 0.20 -0.44 0.61 -0.89 -0.31 0.00 0.00 175.10 174.27 1bve s THR 12 N -3.66 4.91 0.09 5.32 2.01 -1.26 0.10 115.64 123.15 1bve s THR 12 Ca 0.03 -0.61 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 1bve s THR 12 Cb 0.03 -4.30 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 1bve s THR 12 CO -0.11 -0.82 0.58 0.27 -0.69 0.00 0.00 174.62 173.85 1bve s ILE 13 N 2.53 4.75 -0.55 1.82 -4.36 -0.48 -4.29 121.20 120.63 1bve s ILE 13 Ca 0.14 1.16 -0.09 0.00 -0.26 0.00 0.00 60.65 61.59 1bve s ILE 13 Cb -0.20 -3.87 0.14 0.00 1.25 0.00 0.00 42.46 39.78 1bve s ILE 13 CO 0.11 0.48 0.43 -0.75 0.24 0.00 0.00 174.94 175.44 1bve s LYS 14 N -1.31 2.67 -0.21 0.37 2.20 -0.66 -2.89 119.74 119.92 1bve s LYS 14 Ca 0.31 -1.97 -0.03 0.00 -0.36 0.00 0.00 55.97 53.92 1bve s LYS 14 Cb -0.19 -3.99 -0.00 0.00 -1.51 0.00 0.00 37.83 32.14 1bve s LYS 14 CO 0.19 -1.21 -0.08 0.42 -0.36 0.00 0.00 175.35 174.31 1bve s ILE 15 N 1.00 3.11 -1.15 5.43 1.01 -0.93 -1.77 121.20 127.90 1bve s ILE 15 Ca 0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 1bve s ILE 15 Cb -0.23 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 39.85 1bve s ILE 15 CO -0.02 0.45 0.72 0.61 0.00 0.00 0.00 174.94 176.70 1bve n GLY 16 N 4.69 -0.25 2.86 6.18 0.00 -1.26 -1.40 105.19 116.01 1bve n GLY 16 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.54 0.34 3.97 -0.02 0.00 -1.26 -4.98 105.19 101.71 1bve n GLY 17 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 3.22 -0.04 1.61 -1.52 -0.49 -5.10 119.66 116.52 1bve s GLN 18 Ca 0.00 -0.73 -0.00 0.00 -1.95 0.00 0.00 55.36 52.68 1bve s GLN 18 Cb 0.00 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 30.07 1bve s GLN 18 CO 0.00 0.06 -0.00 -1.17 -0.25 0.00 0.00 175.29 173.93 1bve s LEU 19 N -4.25 0.96 0.37 2.90 2.96 -1.26 -2.19 118.68 118.17 1bve s LEU 19 Ca 0.43 -0.05 -0.04 0.00 -0.22 0.00 0.00 54.13 54.25 1bve s LEU 19 Cb -0.10 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.31 1bve s LEU 19 CO 0.33 -0.13 0.56 -0.54 -1.32 0.00 0.00 176.35 175.25 1bve s LYS 20 N 1.33 2.06 0.46 1.98 1.02 -1.14 -5.00 119.74 120.45 1bve s LYS 20 Ca -0.05 -1.76 -0.07 0.00 0.02 0.00 0.00 55.97 54.10 1bve s LYS 20 Cb -0.13 0.49 0.10 0.00 -0.52 0.00 0.00 37.83 37.77 1bve s LYS 20 CO -0.02 -0.88 0.62 0.39 -0.92 0.00 0.00 175.35 174.54 1bve n GLU 21 N -0.59 -0.55 -3.60 1.68 1.02 -1.26 -1.38 120.64 115.96 1bve n GLU 21 Ca -0.01 -1.01 -0.01 0.00 -0.02 0.00 0.00 57.16 56.11 1bve n GLU 21 Cb 0.61 -0.63 -0.04 0.00 -0.02 0.00 0.00 31.44 31.36 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 -3.90 -2.17 -0.64 0.62 0.00 0.28 -4.28 121.76 111.67 1bve s ALA 22 Ca 0.36 2.29 -0.13 0.00 0.00 0.00 0.00 51.96 54.48 1bve s ALA 22 Cb -0.01 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.47 1bve s ALA 22 CO 0.25 -0.87 0.56 -1.17 0.00 0.00 0.00 175.76 174.53 1bve s LEU 23 N 2.66 6.21 -0.93 0.00 2.96 -0.20 -1.10 118.68 128.27 1bve s LEU 23 Ca -0.06 -2.25 -0.23 0.00 -0.22 0.00 0.00 54.13 51.37 1bve s LEU 23 Cb -0.10 -2.13 -0.24 0.00 0.50 0.00 0.00 46.19 44.22 1bve s LEU 23 CO -0.19 -0.67 2.48 0.18 -1.32 0.00 0.00 176.35 176.83 1bve n LEU 24 N 4.54 0.04 -4.31 -0.68 4.77 -1.18 -3.03 117.00 117.14 1bve n LEU 24 Ca -0.00 -0.23 -0.44 0.00 -0.03 0.00 0.00 56.01 55.31 1bve n LEU 24 Cb 0.42 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1bve n LEU 24 CO 0.42 -1.16 0.68 -0.62 -1.33 0.00 0.00 177.39 175.39 1bve s ASP 25 N 6.64 7.10 0.64 -1.43 -1.08 0.11 -4.83 116.67 123.82 1bve s ASP 25 Ca 1.28 -3.49 0.41 0.00 -0.52 0.00 0.00 52.55 50.23 1bve s ASP 25 Cb -0.95 -2.18 2.18 0.00 -1.46 0.00 0.00 42.92 40.52 1bve s ASP 25 CO 0.47 -0.31 2.29 0.74 0.52 0.00 0.00 175.17 178.87 1bve h THR 26 N 3.87 0.07 -0.47 1.71 2.02 -1.87 -1.93 112.91 116.30 1bve h THR 26 Ca 0.17 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1bve h THR 26 Cb 0.89 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1bve h THR 26 CO 0.96 0.01 0.30 1.23 0.37 0.00 0.00 175.52 178.38 1bve h GLY 27 N 0.37 0.67 -1.51 2.16 0.00 -1.90 -3.41 103.07 99.46 1bve h GLY 27 Ca -0.00 -0.23 -0.51 0.00 0.00 0.00 0.00 47.33 46.60 1bve h GLY 27 CO 0.00 0.21 0.36 0.00 0.00 0.00 0.00 176.54 177.11 1bve s ALA 28 N -6.15 2.52 -0.98 3.60 0.00 -0.73 -4.95 121.76 115.07 1bve s ALA 28 Ca -0.13 0.32 0.24 0.00 0.00 0.00 0.00 51.96 52.40 1bve s ALA 28 Cb 0.12 -3.25 0.35 0.00 0.00 0.00 0.00 23.12 20.33 1bve s ALA 28 CO 0.73 -1.31 1.30 -0.25 0.00 0.00 0.00 175.76 176.24 1bve n ASP 29 N -2.82 0.60 -1.84 0.00 9.92 -1.26 -2.83 116.55 118.32 1bve n ASP 29 Ca 0.09 -0.38 -0.07 0.00 -0.53 0.00 0.00 54.79 53.89 1bve n ASP 29 Cb 0.53 0.41 -0.03 0.00 -0.64 0.00 0.00 41.12 41.39 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bve n ASP 30 N -1.53 -0.15 -4.27 -2.24 8.00 -1.26 -2.25 116.55 112.85 1bve n ASP 30 Ca 0.05 -1.78 -0.44 0.00 0.71 0.00 0.00 54.79 53.33 1bve n ASP 30 Cb 0.34 0.58 -0.04 0.00 -0.02 0.00 0.00 41.12 41.98 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bve s THR 31 N -2.45 5.17 1.07 -3.53 2.01 -1.13 0.73 115.64 117.52 1bve s THR 31 Ca 0.14 -2.71 -0.14 0.00 0.31 0.00 0.00 61.69 59.28 1bve s THR 31 Cb 0.01 -4.21 0.23 0.00 0.01 0.00 0.00 72.50 68.53 1bve s THR 31 CO 0.10 -1.01 1.09 0.54 -0.69 0.00 0.00 174.62 174.65 1bve s VAL 32 N -0.06 1.89 -0.29 3.82 0.11 0.21 -0.62 120.40 125.46 1bve s VAL 32 Ca 0.19 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 1bve s VAL 32 Cb -0.12 -2.47 0.14 0.00 -1.53 0.00 0.00 36.38 32.39 1bve s VAL 32 CO -0.08 0.00 0.98 -0.76 -3.33 0.00 0.00 175.10 171.92 1bve s LEU 33 N -6.66 -0.51 1.00 2.54 1.02 0.43 -1.12 118.68 115.39 1bve s LEU 33 Ca 0.67 0.85 -0.19 0.00 0.02 0.00 0.00 54.13 55.49 1bve s LEU 33 Cb -0.16 1.80 -0.13 0.00 0.02 0.00 0.00 46.19 47.71 1bve s LEU 33 CO 0.57 -0.14 -0.81 -0.62 0.02 0.00 0.00 176.35 175.38 1bve n GLU 34 N 3.32 -0.07 -1.83 1.70 1.02 -1.02 -1.62 120.64 122.15 1bve n GLU 34 Ca -0.17 -0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.56 1bve n GLU 34 Cb 0.57 -1.10 0.02 0.00 -0.02 0.00 0.00 31.44 30.91 1bve n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1bve s GLU 35 N -2.19 3.59 0.39 3.49 2.02 0.56 -4.13 118.70 122.43 1bve s GLU 35 Ca 0.41 2.34 -0.15 0.00 0.02 0.00 0.00 54.97 57.59 1bve s GLU 35 Cb -0.13 -2.57 0.06 0.00 0.10 0.00 0.00 34.13 31.59 1bve s GLU 35 CO 0.78 -0.87 0.78 0.00 0.02 0.00 0.00 175.26 175.98 1bve n MET 36 N -0.36 1.12 -3.04 1.61 0.00 -1.26 -4.96 117.12 110.23 1bve n MET 36 Ca 0.06 -2.19 -0.44 0.00 0.00 0.00 0.00 57.70 55.13 1bve n MET 36 Cb 0.43 2.73 -0.04 0.00 0.00 0.00 0.00 33.22 36.34 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 -3.04 6.18 0.47 3.17 0.15 -1.26 -5.03 113.70 114.33 1bve s SER 37 Ca 0.16 -1.31 0.07 0.00 0.70 0.00 0.00 55.95 55.57 1bve s SER 37 Cb -0.05 -2.33 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1bve s SER 37 CO 0.12 -1.21 0.45 -0.76 1.20 0.00 0.00 173.24 173.03 1bve s LEU 38 N 3.07 3.19 -0.02 3.45 1.43 -1.26 -4.97 118.68 123.57 1bve s LEU 38 Ca 0.14 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1bve s LEU 38 Cb -0.22 -1.81 -0.24 0.00 0.03 0.00 0.00 46.19 43.95 1bve s LEU 38 CO 0.07 -0.86 3.34 -0.81 0.23 0.00 0.00 176.35 178.32 1bve n PRO 39 N -1.71 1.84 0.00 1.29 -0.04 -1.26 -4.98 135.00 130.14 1bve n PRO 39 Ca 0.04 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1bve n PRO 39 Cb 0.62 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.41 3.05 0.55 0.00 -1.26 -4.87 105.19 105.62 1bve n GLY 40 Ca 0.39 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -2.26 -1.34 1.61 3.00 -1.26 -5.03 116.66 111.39 1bve n ARG 41 Ca 0.00 1.92 0.00 0.00 -0.01 0.00 0.00 57.85 59.76 1bve n ARG 41 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 32.46 27.93 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1bve n TRP 42 N -0.22 -0.23 -3.75 -1.55 4.27 -1.26 -4.74 117.44 109.95 1bve n TRP 42 Ca 0.05 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.42 1bve n TRP 42 Cb 0.52 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.30 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 -1.36 0.59 0.28 -2.67 1.02 -1.09 -4.96 119.74 111.56 1bve s LYS 43 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.61 1bve s LYS 43 Cb 0.00 -1.42 -0.10 0.00 -0.52 0.00 0.00 37.83 35.80 1bve s LYS 43 CO 0.00 -0.44 1.22 -1.25 -0.92 0.00 0.00 175.35 173.96 1bve s PRO 44 N 1.94 4.48 -0.26 -1.68 0.04 -1.26 -0.44 135.00 137.82 1bve s PRO 44 Ca 0.03 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 1bve s PRO 44 Cb -0.14 -3.15 0.07 0.00 0.04 0.00 0.00 34.50 31.32 1bve s PRO 44 CO -0.06 -0.04 0.65 -1.59 0.04 0.00 0.00 177.00 176.00 1bve s LYS 45 N -1.29 0.70 -0.22 4.56 0.00 -1.16 -4.89 119.74 117.44 1bve s LYS 45 Ca 0.49 1.09 -0.16 0.00 0.00 0.00 0.00 55.97 57.38 1bve s LYS 45 Cb -0.36 0.20 -0.04 0.00 0.00 0.00 0.00 37.83 37.63 1bve s LYS 45 CO 0.45 -0.13 0.42 1.41 0.00 0.00 0.00 175.35 177.50 1bve s MET 46 N 1.22 4.13 0.17 1.78 1.75 -1.26 -2.22 119.30 124.87 1bve s MET 46 Ca -0.07 0.21 -0.09 0.00 -1.25 0.00 0.00 55.69 54.49 1bve s MET 46 Cb -0.05 -3.57 -0.07 0.00 2.84 0.00 0.00 34.83 33.98 1bve s MET 46 CO -0.13 -0.13 0.48 0.96 -0.65 0.00 0.00 175.02 175.55 1bve s ILE 47 N 1.61 5.00 -0.34 10.11 -4.36 -0.33 -4.85 121.20 128.03 1bve s ILE 47 Ca 0.19 0.43 0.02 0.00 -0.26 0.00 0.00 60.65 61.04 1bve s ILE 47 Cb -0.15 -3.64 0.09 0.00 1.25 0.00 0.00 42.46 40.01 1bve s ILE 47 CO 0.09 0.07 0.06 -0.83 0.24 0.00 0.00 174.94 174.56 1bve s GLY 48 N -2.15 1.90 0.00 6.27 0.00 -1.26 -0.98 107.32 111.10 1bve s GLY 48 Ca 0.42 -2.40 0.00 0.00 0.00 0.00 0.00 44.72 42.74 1bve s GLY 48 CO 0.21 0.90 0.00 0.61 0.00 0.00 0.00 173.10 174.82 1bve n GLY 49 N 4.36 2.57 3.59 0.20 0.00 -0.82 -4.96 105.19 110.13 1bve n GLY 49 Ca -0.00 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 3.83 4.68 0.00 -0.61 1.01 -1.26 -3.78 121.20 125.08 1bve s ILE 50 Ca 0.00 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.63 1bve s ILE 50 Cb 0.00 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1bve s ILE 50 CO 0.00 -0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.08 1bve n GLY 51 N 4.48 0.54 0.00 6.18 0.00 -1.26 -4.99 105.19 110.14 1bve n GLY 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.35 0.80 3.49 -0.02 0.00 -1.25 -5.06 105.19 101.80 1bve n GLY 52 Ca 0.00 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.77 2.94 0.30 1.61 0.40 -1.26 -1.95 117.98 118.25 1bve s PHE 53 Ca 0.00 -0.29 0.09 0.00 -0.60 0.00 0.00 56.93 56.13 1bve s PHE 53 Cb 0.00 -1.85 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 1bve s PHE 53 CO 0.00 0.03 0.10 0.96 0.70 0.00 0.00 175.22 177.02 1bve s ILE 54 N 0.00 3.41 -0.16 0.64 -5.25 -0.15 -4.90 121.20 114.80 1bve s ILE 54 Ca -0.01 -1.72 -0.07 0.00 -0.99 0.00 0.00 60.65 57.86 1bve s ILE 54 Cb -0.14 -3.00 -0.04 0.00 2.95 0.00 0.00 42.46 42.23 1bve s ILE 54 CO 0.03 -0.28 0.09 -0.54 -1.79 0.00 0.00 174.94 172.45 1bve s LYS 55 N -3.79 3.77 0.12 0.37 1.02 -1.26 -1.19 119.74 118.78 1bve s LYS 55 Ca 0.35 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1bve s LYS 55 Cb -0.05 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1bve s LYS 55 CO 0.22 0.46 0.07 1.33 -0.92 0.00 0.00 175.35 176.51 1bve n VAL 56 N 2.97 0.00 -3.71 3.17 0.24 -0.94 -3.36 118.33 116.69 1bve n VAL 56 Ca -0.18 -0.79 -0.30 0.00 -2.04 0.00 0.00 64.34 61.04 1bve n VAL 56 Cb 0.53 0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 33.08 1bve n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1bve s ARG 57 N -2.48 0.66 -0.71 7.34 1.81 0.16 -2.98 118.95 122.75 1bve s ARG 57 Ca 0.10 -1.02 -0.25 0.00 -1.72 0.00 0.00 55.73 52.83 1bve s ARG 57 Cb 0.00 -1.91 -0.13 0.00 -0.45 0.00 0.00 34.95 32.47 1bve s ARG 57 CO 0.07 -0.99 2.41 0.94 -0.68 0.00 0.00 175.30 177.05 1bve n GLN 58 N 4.89 0.66 -3.10 3.54 7.27 0.42 -2.24 117.38 128.82 1bve n GLN 58 Ca -0.02 -0.48 -0.40 0.00 0.07 0.00 0.00 57.00 56.17 1bve n GLN 58 Cb 0.42 -3.36 -0.05 0.00 2.41 0.00 0.00 30.24 29.65 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1bve s TYR 59 N 12.84 3.43 -0.11 3.69 2.02 -0.69 -2.66 117.35 135.87 1bve s TYR 59 Ca 0.99 1.02 -0.04 0.00 -0.37 0.00 0.00 57.07 58.68 1bve s TYR 59 Cb -0.23 -2.80 -0.04 0.00 -0.40 0.00 0.00 41.96 38.49 1bve s TYR 59 CO 0.19 -0.10 0.03 -0.51 -1.57 0.00 0.00 175.55 173.59 1bve s ASP 60 N 1.06 5.48 -0.37 2.29 1.11 -1.26 -0.42 116.67 124.55 1bve s ASP 60 Ca 0.31 0.18 -0.02 0.00 0.18 0.00 0.00 52.55 53.20 1bve s ASP 60 Cb -0.16 -1.68 -0.02 0.00 1.07 0.00 0.00 42.92 42.13 1bve s ASP 60 CO 0.12 0.34 0.33 0.00 1.18 0.00 0.00 175.17 177.14 1bve n GLN 61 N 2.43 -0.78 -4.54 8.23 1.13 -1.04 -4.96 117.38 117.84 1bve n GLN 61 Ca -0.18 0.40 -0.33 0.00 -1.94 0.00 0.00 57.00 54.95 1bve n GLN 61 Cb 0.54 -3.10 -0.16 0.00 0.11 0.00 0.00 30.24 27.63 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 -3.12 2.12 -1.00 5.09 1.09 -0.55 -4.81 121.20 120.01 1bve s ILE 62 Ca 0.15 -0.95 -0.24 0.00 -1.10 0.00 0.00 60.65 58.51 1bve s ILE 62 Cb -0.02 -1.86 -0.06 0.00 -1.06 0.00 0.00 42.46 39.46 1bve s ILE 62 CO 0.27 0.54 1.94 -0.22 -0.10 0.00 0.00 174.94 177.38 1bve s LEU 63 N 0.92 3.12 -0.45 2.97 1.98 -1.26 -1.68 118.68 124.29 1bve s LEU 63 Ca -0.04 -1.02 -0.23 0.00 -2.89 0.00 0.00 54.13 49.94 1bve s LEU 63 Cb -0.15 -2.57 0.02 0.00 0.66 0.00 0.00 46.19 44.15 1bve s LEU 63 CO -0.04 -2.87 0.79 -0.51 -1.89 0.00 0.00 176.35 171.82 1bve s ILE 64 N 10.45 4.65 -0.29 6.68 2.07 0.28 -4.07 121.20 140.97 1bve s ILE 64 Ca 0.70 0.46 -0.21 0.00 -1.41 0.00 0.00 60.65 60.18 1bve s ILE 64 Cb -0.05 -4.32 -0.01 0.00 0.13 0.00 0.00 42.46 38.22 1bve s ILE 64 CO 0.04 -0.71 0.69 -0.70 -1.91 0.00 0.00 174.94 172.35 1bve s GLU 65 N 3.29 4.00 -0.24 3.50 2.12 -0.73 -2.65 118.70 128.00 1bve s GLU 65 Ca 0.30 0.50 -0.06 0.00 0.36 0.00 0.00 54.97 56.07 1bve s GLU 65 Cb -0.12 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.55 1bve s GLU 65 CO 0.22 -0.55 0.03 0.42 -0.54 0.00 0.00 175.26 174.84 1bve s ILE 66 N 2.68 3.95 0.00 -3.70 1.09 -1.17 -1.65 121.20 122.40 1bve s ILE 66 Ca 0.28 -0.30 0.00 0.00 -1.10 0.00 0.00 60.65 59.53 1bve s ILE 66 Cb -0.15 -2.83 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 1bve s ILE 66 CO 0.11 0.37 0.00 0.00 -0.10 0.00 0.00 174.94 175.32 1bve n GLY 68 N 0.00 2.46 2.84 0.00 0.00 -1.26 -5.02 105.19 104.21 1bve n GLY 68 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1bve n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bve s HIS 69 N -3.48 2.20 -0.04 1.61 3.76 -0.42 -5.08 115.29 113.84 1bve s HIS 69 Ca 0.31 -1.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.03 1bve s HIS 69 Cb 0.34 -1.85 -0.08 0.00 1.11 0.00 0.00 32.58 32.10 1bve s HIS 69 CO -0.04 -0.84 2.00 0.21 -0.85 0.00 0.00 174.74 175.22 1bve s LYS 70 N 1.45 3.87 -0.06 1.40 2.47 -1.26 -3.04 119.74 124.58 1bve s LYS 70 Ca 0.05 2.41 0.01 0.00 -1.56 0.00 0.00 55.97 56.88 1bve s LYS 70 Cb -0.18 -4.20 0.02 0.00 -1.46 0.00 0.00 37.83 32.01 1bve s LYS 70 CO -0.16 -1.25 -0.06 0.00 0.16 0.00 0.00 175.35 174.04 1bve s ALA 71 N 5.44 0.84 -0.10 3.13 0.00 -1.08 -5.00 121.76 124.99 1bve s ALA 71 Ca 0.90 -0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.66 1bve s ALA 71 Cb -0.39 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 1bve s ALA 71 CO 0.39 -0.07 0.04 0.42 0.00 0.00 0.00 175.76 176.54 1bve s ILE 72 N 1.03 4.63 0.03 0.00 1.01 -1.26 0.99 121.20 127.63 1bve s ILE 72 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.42 1bve s ILE 72 Cb -0.14 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.36 1bve s ILE 72 CO -0.00 0.60 0.08 0.61 0.00 0.00 0.00 174.94 176.23 1bve n GLY 73 N 2.17 1.68 3.52 6.18 0.00 -0.68 -4.77 105.19 113.30 1bve n GLY 73 Ca -0.19 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.79 4.78 -0.36 2.61 2.01 -1.26 -1.48 115.64 119.16 1bve s THR 74 Ca 0.02 0.17 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1bve s THR 74 Cb -0.00 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.28 1bve s THR 74 CO 0.01 -0.64 0.20 -0.69 -0.69 0.00 0.00 174.62 172.82 1bve s VAL 75 N 2.94 4.71 -0.16 3.82 1.01 0.44 -2.82 120.40 130.33 1bve s VAL 75 Ca 0.24 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 1bve s VAL 75 Cb -0.14 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1bve s VAL 75 CO 0.20 -0.15 1.04 -0.76 0.00 0.00 0.00 175.10 175.43 1bve s LEU 76 N 1.60 4.18 -0.23 3.92 1.02 0.21 -1.71 118.68 127.68 1bve s LEU 76 Ca 0.03 1.49 -0.06 0.00 0.02 0.00 0.00 54.13 55.62 1bve s LEU 76 Cb -0.18 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.46 1bve s LEU 76 CO 0.07 -0.56 0.02 -0.69 0.02 0.00 0.00 176.35 175.21 1bve s VAL 77 N 2.57 3.95 0.00 -1.59 1.01 -0.95 0.16 120.40 125.56 1bve s VAL 77 Ca 0.47 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bve s VAL 77 Cb -0.17 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1bve s VAL 77 CO 0.13 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1bve n GLY 78 N 4.70 2.99 1.66 4.51 0.00 -0.64 0.37 105.19 118.78 1bve n GLY 78 Ca -0.17 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 1.31 -3.09 1.61 -0.04 -1.22 0.21 135.00 133.78 1bve n PRO 79 Ca 0.00 -0.37 -0.38 0.00 -0.04 0.00 0.00 63.50 62.71 1bve n PRO 79 Cb 0.00 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 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 0.06 4.52 -1.49 0.52 -1.32 -1.26 -4.93 115.64 111.73 1bve s THR 80 Ca 0.19 1.47 0.00 0.00 -1.21 0.00 0.00 61.69 62.13 1bve s THR 80 Cb 0.10 -4.00 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 1bve s THR 80 CO -0.00 0.45 0.70 -0.81 -2.21 0.00 0.00 174.62 172.75 1bve n PRO 81 N 1.40 0.94 -3.74 7.08 -0.04 -1.26 -3.85 135.00 135.53 1bve n PRO 81 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 1bve n PRO 81 Cb 0.50 -1.24 -0.02 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.49 0.00 -0.76 0.52 1.01 -1.26 -5.01 120.40 113.41 1bve s VAL 82 Ca 0.00 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 1bve s VAL 82 Cb 0.00 -1.74 0.20 0.00 0.00 0.00 0.00 36.38 34.84 1bve s VAL 82 CO 0.00 0.00 0.70 0.20 0.00 0.00 0.00 175.10 176.00 1bve s ASN 83 N -2.87 6.61 -0.12 3.32 0.01 -1.26 -2.42 114.94 118.21 1bve s ASN 83 Ca 0.09 -2.47 -0.30 0.00 -0.71 0.00 0.00 52.86 49.47 1bve s ASN 83 Cb -0.04 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.40 1bve s ASN 83 CO 0.01 -0.64 1.06 -0.63 -1.51 0.00 0.00 177.10 175.39 1bve s ILE 84 N 0.52 4.64 -0.47 0.60 -1.09 -0.27 -1.04 121.20 124.09 1bve s ILE 84 Ca 0.14 1.93 -0.10 0.00 -2.23 0.00 0.00 60.65 60.40 1bve s ILE 84 Cb -0.15 -4.24 0.12 0.00 -1.58 0.00 0.00 42.46 36.60 1bve s ILE 84 CO -0.06 -0.03 0.35 -0.63 -1.23 0.00 0.00 174.94 173.34 1bve s ILE 85 N 2.29 4.30 0.00 2.92 1.09 -1.17 0.65 121.20 131.29 1bve s ILE 85 Ca 0.49 -1.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.33 1bve s ILE 85 Cb -0.19 -3.80 0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1bve s ILE 85 CO 0.17 -0.75 0.00 0.61 -0.10 0.00 0.00 174.94 174.86 1bve n GLY 86 N 4.94 0.18 0.34 6.18 0.00 0.22 0.05 105.19 117.11 1bve n GLY 86 Ca -0.09 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 1.09 -1.55 1.61 2.47 -1.57 -1.09 114.38 115.34 1bve h ARG 87 Ca 0.00 -0.15 0.45 0.00 -1.26 0.00 0.00 59.98 59.02 1bve h ARG 87 Cb 0.00 -0.20 -0.06 0.00 -1.65 0.00 0.00 29.97 28.06 1bve h ARG 87 CO 0.00 0.84 1.16 -2.95 0.56 0.00 0.00 179.97 179.57 1bve h ASN 88 N 1.08 0.00 0.00 7.04 -1.07 -1.73 0.36 115.58 121.26 1bve h ASN 88 Ca 0.26 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.53 1bve h ASN 88 Cb 0.11 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.34 1bve h ASN 88 CO -0.03 0.00 -1.72 0.18 0.07 0.00 0.00 177.43 175.92 1bve n LEU 89 N -3.97 0.00 0.00 6.14 7.99 -0.81 -4.20 117.00 122.16 1bve n LEU 89 Ca 0.34 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.42 1bve n LEU 89 Cb 1.64 0.14 0.39 0.00 -0.11 0.00 0.00 43.42 45.48 1bve n LEU 89 CO 0.41 0.14 0.72 0.18 -1.51 0.00 0.00 177.39 177.33 1bve n LEU 90 N -2.19 0.00 -0.01 2.23 4.77 0.11 -1.45 117.00 120.45 1bve n LEU 90 Ca -0.11 0.29 0.10 0.00 -0.03 0.00 0.00 56.01 56.27 1bve n LEU 90 Cb 0.60 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 1bve n LEU 90 CO 0.27 -0.14 -0.60 0.35 -1.33 0.00 0.00 177.39 175.94 1bve n THR 91 N -1.29 0.00 0.09 -5.08 -2.24 -0.03 -0.29 114.28 105.44 1bve n THR 91 Ca 0.07 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1bve n THR 91 Cb 0.13 0.23 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 1bve n THR 91 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1bve h GLN 92 N 0.00 0.41 -0.07 -0.78 1.08 -1.42 -3.26 115.11 111.07 1bve h GLN 92 Ca 0.00 -0.71 0.00 0.00 -1.45 0.00 0.00 58.65 56.49 1bve h GLN 92 Cb 0.87 0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1bve h GLN 92 CO 0.00 1.32 0.00 0.44 -0.95 0.00 0.00 178.83 179.64 1bve n ILE 93 N -3.60 0.09 -2.72 2.54 -5.35 -1.03 -4.90 119.36 104.39 1bve n ILE 93 Ca -0.21 -0.17 -0.08 0.00 -0.27 0.00 0.00 62.75 62.03 1bve n ILE 93 Cb 1.08 0.04 0.02 0.00 -1.74 0.00 0.00 39.64 39.04 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 0.98 0.41 3.75 3.28 0.00 -1.23 -4.94 105.19 107.45 1bve n GLY 94 Ca 0.16 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.97 3.46 -0.05 4.61 0.00 0.61 -5.02 121.76 122.40 1bve s ALA 95 Ca 0.16 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.17 1bve s ALA 95 Cb -0.07 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1bve s ALA 95 CO 0.19 -0.39 -0.06 0.95 0.00 0.00 0.00 175.76 176.45 1bve s THR 96 N -0.77 0.66 -1.03 0.00 -4.23 -1.26 -4.80 115.64 104.20 1bve s THR 96 Ca 0.49 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 1bve s THR 96 Cb -0.35 -0.67 0.18 0.00 1.34 0.00 0.00 72.50 73.00 1bve s THR 96 CO 0.43 0.26 1.17 -0.76 -0.54 0.00 0.00 174.62 175.18 1bve s LEU 97 N 0.96 5.53 -0.22 4.79 1.02 -1.26 -5.00 118.68 124.50 1bve s LEU 97 Ca -0.10 -2.69 -0.20 0.00 0.02 0.00 0.00 54.13 51.15 1bve s LEU 97 Cb -0.14 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.70 1bve s LEU 97 CO 0.00 -0.76 0.61 0.20 0.02 0.00 0.00 176.35 176.42 1bve s ASN 98 N 2.79 6.63 0.00 2.29 0.02 -1.26 -5.31 114.94 120.10 1bve s ASN 98 Ca 0.33 0.77 0.00 0.00 -1.02 0.00 0.00 52.86 52.94 1bve s ASN 98 Cb -0.06 -2.34 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1bve s ASN 98 CO -0.06 -0.29 0.09 2.22 0.02 0.00 0.00 177.10 179.08