#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 4.51 -0.31 -0.52 0.74 -1.26 -5.02 119.66 117.80 1bve s GLN 2 Ca 0.00 1.12 0.02 0.00 0.05 0.00 0.00 55.36 56.56 1bve s GLN 2 Cb 0.00 -3.42 0.09 0.00 1.10 0.00 0.00 33.01 30.78 1bve s GLN 2 CO 0.00 0.11 0.04 0.08 -0.55 0.00 0.00 175.29 174.97 1bve s VAL 3 N 0.53 1.78 -0.31 1.34 1.01 -1.26 -4.94 120.40 118.55 1bve s VAL 3 Ca 0.42 -1.88 0.18 0.00 0.00 0.00 0.00 61.98 60.71 1bve s VAL 3 Cb -0.20 -2.25 0.47 0.00 0.00 0.00 0.00 36.38 34.39 1bve s VAL 3 CO 0.23 -0.51 0.97 0.41 0.00 0.00 0.00 175.10 176.20 1bve n THR 4 N 4.49 1.04 -0.89 3.92 -1.04 -1.26 -4.94 114.28 115.60 1bve n THR 4 Ca -0.01 -3.05 -0.13 0.00 -2.04 0.00 0.00 64.05 58.82 1bve n THR 4 Cb 0.42 0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 69.64 1bve n THR 4 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bve n LEU 5 N -0.13 5.97 -2.18 -4.42 -0.00 -1.26 -4.83 117.00 110.15 1bve n LEU 5 Ca 0.09 -3.15 0.00 0.00 -0.00 0.00 0.00 56.01 52.95 1bve n LEU 5 Cb 0.82 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 1bve n LEU 5 CO 0.25 1.31 0.00 0.79 -0.00 0.00 0.00 177.39 179.74 1bve n TRP 6 N 1.07 0.00 -3.06 1.96 7.02 -1.26 -4.64 117.44 118.53 1bve n TRP 6 Ca 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 1bve n TRP 6 Cb 0.60 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.49 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 -0.86 0.00 -2.44 -0.99 6.02 -1.26 -5.11 117.38 112.75 1bve n GLN 7 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1bve n GLN 7 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 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 -1.40 4.29 -1.12 -1.09 0.52 -1.26 -4.92 118.95 113.96 1bve s ARG 8 Ca 0.00 1.67 -0.22 0.00 -0.52 0.00 0.00 55.73 56.67 1bve s ARG 8 Cb 0.00 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1bve s ARG 8 CO 0.00 -0.59 1.71 -1.25 0.02 0.00 0.00 175.30 175.19 1bve s PRO 9 N 2.89 3.36 0.17 3.54 0.04 -1.26 -4.97 135.00 138.77 1bve s PRO 9 Ca 0.55 -1.28 -0.21 0.00 0.04 0.00 0.00 61.00 60.11 1bve s PRO 9 Cb -0.23 -5.35 -0.08 0.00 0.04 0.00 0.00 34.50 28.88 1bve s PRO 9 CO 0.18 -2.73 0.69 -0.51 0.04 0.00 0.00 177.00 174.67 1bve s LEU 10 N 6.63 4.45 0.04 -3.56 1.43 -1.26 -1.62 118.68 124.78 1bve s LEU 10 Ca 0.56 1.41 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 1bve s LEU 10 Cb 0.00 -3.33 0.01 0.00 0.03 0.00 0.00 46.19 42.90 1bve s LEU 10 CO 0.01 0.14 0.21 0.68 0.23 0.00 0.00 176.35 177.62 1bve s VAL 11 N -1.33 0.10 -0.39 -1.59 -7.23 -0.47 -4.83 120.40 104.66 1bve s VAL 11 Ca 0.37 -0.85 -0.22 0.00 -1.81 0.00 0.00 61.98 59.47 1bve s VAL 11 Cb -0.19 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1bve s VAL 11 CO 0.22 -0.47 0.73 -0.89 -0.31 0.00 0.00 175.10 174.38 1bve s THR 12 N -2.46 4.76 0.13 5.32 2.01 -1.26 0.68 115.64 124.82 1bve s THR 12 Ca -0.06 0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.58 1bve s THR 12 Cb -0.02 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1bve s THR 12 CO -0.03 -0.50 0.22 0.27 -0.69 0.00 0.00 174.62 173.89 1bve s ILE 13 N 3.03 5.06 -0.34 1.82 -4.36 -0.29 -4.09 121.20 122.03 1bve s ILE 13 Ca 0.28 -0.73 -0.05 0.00 -0.26 0.00 0.00 60.65 59.89 1bve s ILE 13 Cb -0.13 -3.56 0.05 0.00 1.25 0.00 0.00 42.46 40.06 1bve s ILE 13 CO 0.18 -0.03 0.09 -0.75 0.24 0.00 0.00 174.94 174.67 1bve s LYS 14 N -2.98 2.55 -0.04 0.37 2.20 -0.75 -2.65 119.74 118.43 1bve s LYS 14 Ca 0.33 -1.25 0.05 0.00 -0.36 0.00 0.00 55.97 54.74 1bve s LYS 14 Cb -0.11 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1bve s LYS 14 CO 0.27 -0.69 -0.19 0.42 -0.36 0.00 0.00 175.35 174.80 1bve s ILE 15 N 1.36 1.58 -1.18 5.43 1.01 -1.04 -1.73 121.20 126.63 1bve s ILE 15 Ca -0.02 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1bve s ILE 15 Cb -0.20 -1.35 0.05 0.00 0.01 0.00 0.00 42.46 40.97 1bve s ILE 15 CO 0.02 0.45 0.34 0.61 0.00 0.00 0.00 174.94 176.36 1bve n GLY 16 N 3.07 -0.49 2.21 6.18 0.00 -1.26 0.05 105.19 114.95 1bve n GLY 16 Ca -0.18 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.06 0.24 3.53 -0.02 0.00 -1.26 -4.86 105.19 101.76 1bve n GLY 17 Ca -0.05 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.96 1.88 -0.11 1.61 -1.52 0.11 -5.15 119.66 111.53 1bve s GLN 18 Ca 0.11 -2.13 -0.04 0.00 -1.95 0.00 0.00 55.36 51.35 1bve s GLN 18 Cb -0.05 -0.80 0.05 0.00 -0.22 0.00 0.00 33.01 31.99 1bve s GLN 18 CO 0.14 -0.38 0.23 -0.51 -0.25 0.00 0.00 175.29 174.51 1bve s LEU 19 N -3.61 0.01 0.32 2.90 1.43 -1.26 -2.49 118.68 115.99 1bve s LEU 19 Ca 0.25 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.83 1bve s LEU 19 Cb 0.04 0.58 -0.01 0.00 0.03 0.00 0.00 46.19 46.84 1bve s LEU 19 CO 0.13 -0.22 0.42 -0.54 0.23 0.00 0.00 176.35 176.38 1bve s LYS 20 N 2.01 1.81 1.02 1.70 1.02 -1.08 -4.97 119.74 121.24 1bve s LYS 20 Ca -0.02 -1.75 -0.17 0.00 0.02 0.00 0.00 55.97 54.05 1bve s LYS 20 Cb -0.12 0.42 0.24 0.00 -0.52 0.00 0.00 37.83 37.85 1bve s LYS 20 CO -0.08 -0.73 1.34 0.39 -0.92 0.00 0.00 175.35 175.35 1bve n GLU 21 N -0.54 -1.47 -3.15 1.68 4.71 -1.26 -1.14 120.64 119.47 1bve n GLU 21 Ca 0.02 -2.07 0.05 0.00 -0.01 0.00 0.00 57.16 55.15 1bve n GLU 21 Cb 0.62 -1.42 -0.01 0.00 -1.01 0.00 0.00 31.44 29.62 1bve n GLU 21 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bve s ALA 22 N -3.90 -2.74 -0.84 0.62 0.00 0.21 -4.47 121.76 110.66 1bve s ALA 22 Ca 0.76 1.65 -0.25 0.00 0.00 0.00 0.00 51.96 54.12 1bve s ALA 22 Cb -0.02 -2.32 0.03 0.00 0.00 0.00 0.00 23.12 20.80 1bve s ALA 22 CO 0.54 -1.42 1.43 -1.17 0.00 0.00 0.00 175.76 175.13 1bve s LEU 23 N 2.89 3.29 -0.86 0.00 2.96 0.21 -1.37 118.68 125.80 1bve s LEU 23 Ca 0.13 -0.76 -0.21 0.00 -0.22 0.00 0.00 54.13 53.06 1bve s LEU 23 Cb -0.13 -2.56 -0.22 0.00 0.50 0.00 0.00 46.19 43.79 1bve s LEU 23 CO -0.18 -1.82 2.39 0.18 -1.32 0.00 0.00 176.35 175.60 1bve n LEU 24 N 9.75 0.42 -4.33 -0.68 4.77 -0.64 -3.13 117.00 123.16 1bve n LEU 24 Ca 0.17 -0.63 -0.47 0.00 -0.03 0.00 0.00 56.01 55.06 1bve n LEU 24 Cb 0.50 -1.10 -0.03 0.00 -2.33 0.00 0.00 43.42 40.46 1bve n LEU 24 CO 0.69 -1.62 0.37 -0.62 -1.33 0.00 0.00 177.39 174.87 1bve s ASP 25 N 6.96 6.60 0.00 -1.43 2.15 0.29 -4.79 116.67 126.44 1bve s ASP 25 Ca 1.17 -2.41 0.11 0.00 0.43 0.00 0.00 52.55 51.85 1bve s ASP 25 Cb -0.64 -2.22 0.55 0.00 -0.30 0.00 0.00 42.92 40.31 1bve s ASP 25 CO 0.37 -0.67 1.29 0.41 -0.17 0.00 0.00 175.17 176.39 1bve n THR 26 N 4.39 0.85 0.10 1.71 -1.04 -1.26 -2.50 114.28 116.53 1bve n THR 26 Ca 0.06 0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 62.06 1bve n THR 26 Cb 0.45 -1.02 -0.14 0.00 -1.82 0.00 0.00 70.33 67.80 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 1.89 0.63 -1.77 3.41 0.00 -1.89 -3.41 103.07 101.93 1bve h GLY 27 Ca 0.00 -1.40 -0.50 0.00 0.00 0.00 0.00 47.33 45.43 1bve h GLY 27 CO 0.00 1.23 0.38 0.00 0.00 0.00 0.00 176.54 178.16 1bve s ALA 28 N -2.83 2.66 -0.74 3.60 0.00 -1.04 -4.92 121.76 118.49 1bve s ALA 28 Ca -0.10 0.49 0.25 0.00 0.00 0.00 0.00 51.96 52.59 1bve s ALA 28 Cb 0.04 -3.27 0.43 0.00 0.00 0.00 0.00 23.12 20.33 1bve s ALA 28 CO 0.92 -0.92 1.38 -0.25 0.00 0.00 0.00 175.76 176.89 1bve n ASP 29 N -2.03 0.62 -1.31 0.00 8.00 -1.26 -1.73 116.55 118.85 1bve n ASP 29 Ca 0.09 0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.64 1bve n ASP 29 Cb 0.52 0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1bve n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bve n ASP 30 N -1.95 0.21 -4.16 -2.24 -0.08 -1.26 -2.23 116.55 104.84 1bve n ASP 30 Ca 0.04 -1.17 -0.39 0.00 -1.51 0.00 0.00 54.79 51.75 1bve n ASP 30 Cb 0.41 0.12 -0.07 0.00 2.34 0.00 0.00 41.12 43.92 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1bve s THR 31 N -1.99 4.26 0.92 5.18 2.01 -1.14 0.11 115.64 124.99 1bve s THR 31 Ca 0.03 -2.88 -0.12 0.00 0.31 0.00 0.00 61.69 59.03 1bve s THR 31 Cb 0.00 -3.72 0.14 0.00 0.01 0.00 0.00 72.50 68.94 1bve s THR 31 CO 0.02 -0.93 1.10 0.54 -0.69 0.00 0.00 174.62 174.66 1bve s VAL 32 N -0.08 2.39 -0.29 3.82 0.11 0.75 -1.32 120.40 125.79 1bve s VAL 32 Ca 0.18 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.19 1bve s VAL 32 Cb -0.17 -2.70 0.12 0.00 -1.53 0.00 0.00 36.38 32.10 1bve s VAL 32 CO -0.05 -0.17 0.87 -0.76 -3.33 0.00 0.00 175.10 171.66 1bve s LEU 33 N -6.21 -0.67 0.85 2.54 1.02 0.91 -1.57 118.68 115.56 1bve s LEU 33 Ca 0.64 1.07 -0.16 0.00 0.02 0.00 0.00 54.13 55.69 1bve s LEU 33 Cb -0.17 1.98 -0.14 0.00 0.02 0.00 0.00 46.19 47.88 1bve s LEU 33 CO 0.56 -0.17 -0.63 -0.62 0.02 0.00 0.00 176.35 175.51 1bve n GLU 34 N 3.93 0.00 -1.31 1.70 1.02 -1.08 -2.61 120.64 122.29 1bve n GLU 34 Ca -0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.60 1bve n GLU 34 Cb 0.58 -0.96 0.11 0.00 -0.02 0.00 0.00 31.44 31.16 1bve n GLU 34 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bve s GLU 35 N -1.70 1.92 0.00 3.49 -6.30 0.07 -4.46 118.70 111.72 1bve s GLU 35 Ca 0.42 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.76 1bve s GLU 35 Cb -0.24 -1.79 0.00 0.00 0.00 0.00 0.00 34.13 32.10 1bve s GLU 35 CO 0.76 -2.03 0.00 0.00 0.02 0.00 0.00 175.26 174.00 1bve n MET 36 N -2.85 0.00 -3.30 4.30 0.00 -1.26 -5.00 117.12 109.01 1bve n MET 36 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.40 1bve n MET 36 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.65 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 -0.61 6.18 -0.28 3.17 0.15 -1.26 -5.01 113.70 116.04 1bve s SER 37 Ca 0.00 -1.18 -0.01 0.00 0.70 0.00 0.00 55.95 55.46 1bve s SER 37 Cb 0.00 -2.22 0.09 0.00 -1.71 0.00 0.00 66.02 62.17 1bve s SER 37 CO 0.00 -0.75 0.07 -0.22 1.20 0.00 0.00 173.24 173.54 1bve s LEU 38 N 2.02 2.08 0.53 3.45 2.96 -1.26 -4.77 118.68 123.69 1bve s LEU 38 Ca 0.08 -1.41 -0.17 0.00 -0.22 0.00 0.00 54.13 52.41 1bve s LEU 38 Cb -0.22 -0.85 -0.07 0.00 0.50 0.00 0.00 46.19 45.54 1bve s LEU 38 CO 0.08 -0.37 1.00 -2.16 -1.32 0.00 0.00 176.35 173.59 1bve s PRO 39 N 1.63 3.80 0.00 0.98 0.04 -1.26 -4.97 135.00 135.23 1bve s PRO 39 Ca 0.06 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1bve s PRO 39 Cb -0.17 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1bve s PRO 39 CO -0.19 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 176.86 1bve n GLY 40 N -1.38 0.80 3.80 0.56 0.00 -1.26 -4.99 105.19 102.72 1bve n GLY 40 Ca 0.07 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 1bve n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bve s ARG 41 N -1.19 4.33 0.32 1.61 3.00 -1.26 -5.05 118.95 120.72 1bve s ARG 41 Ca 0.00 0.91 -0.18 0.00 0.00 0.00 0.00 55.73 56.45 1bve s ARG 41 Cb 0.00 -3.15 0.04 0.00 0.00 0.00 0.00 34.95 31.85 1bve s ARG 41 CO 0.00 0.55 0.79 1.67 0.00 0.00 0.00 175.30 178.31 1bve s TRP 42 N -1.24 -0.00 0.04 -0.53 1.48 -1.26 -3.87 118.94 113.56 1bve s TRP 42 Ca 0.35 -0.56 -0.12 0.00 -1.06 0.00 0.00 56.10 54.71 1bve s TRP 42 Cb -0.20 0.78 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1bve s TRP 42 CO 0.22 -1.38 0.25 0.15 -4.06 0.00 0.00 176.95 172.13 1bve s LYS 43 N -2.90 0.74 0.17 3.25 1.02 -1.09 -4.94 119.74 115.98 1bve s LYS 43 Ca 0.14 -0.55 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 1bve s LYS 43 Cb -0.05 0.31 -0.07 0.00 -0.52 0.00 0.00 37.83 37.50 1bve s LYS 43 CO 0.09 -0.22 1.00 -1.25 -0.92 0.00 0.00 175.35 174.05 1bve s PRO 44 N -2.47 4.71 0.00 -1.68 0.04 -1.26 -0.62 135.00 133.71 1bve s PRO 44 Ca -0.06 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1bve s PRO 44 Cb -0.01 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1bve s PRO 44 CO -0.03 0.25 0.00 0.36 0.04 0.00 0.00 177.00 177.62 1bve n LYS 45 N 2.27 0.00 -3.65 4.56 -0.00 -0.27 -4.89 118.16 116.19 1bve n LYS 45 Ca 0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.17 1bve n LYS 45 Cb 0.48 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.36 1bve n LYS 45 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1bve s MET 46 N -1.78 0.10 -0.01 -1.58 -1.94 -1.26 -2.61 119.30 110.22 1bve s MET 46 Ca 0.00 0.61 -0.19 0.00 -1.71 0.00 0.00 55.69 54.39 1bve s MET 46 Cb 0.00 -0.27 -0.05 0.00 2.01 0.00 0.00 34.83 36.52 1bve s MET 46 CO 0.00 -0.34 0.56 0.96 -0.01 0.00 0.00 175.02 176.19 1bve s ILE 47 N 2.35 4.94 -0.31 2.53 -4.36 -0.46 -4.88 121.20 121.02 1bve s ILE 47 Ca 0.03 1.16 0.02 0.00 -0.26 0.00 0.00 60.65 61.60 1bve s ILE 47 Cb -0.12 -3.89 0.08 0.00 1.25 0.00 0.00 42.46 39.77 1bve s ILE 47 CO -0.08 0.43 -0.01 -0.83 0.24 0.00 0.00 174.94 174.70 1bve s GLY 48 N -0.25 1.80 0.00 6.27 0.00 -1.26 -1.25 107.32 112.63 1bve s GLY 48 Ca 0.29 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.90 1bve s GLY 48 CO 0.16 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.65 1bve n GLY 49 N 4.40 2.64 3.64 0.20 0.00 -0.93 -4.96 105.19 110.19 1bve n GLY 49 Ca -0.06 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 3.33 4.93 0.00 -0.61 1.01 -1.26 -4.17 121.20 124.43 1bve s ILE 50 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1bve s ILE 50 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 1bve s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1bve n GLY 51 N 3.85 2.98 0.00 6.18 0.00 -1.26 -4.94 105.19 112.00 1bve n GLY 51 Ca 0.02 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.79 3.26 -0.02 0.00 -1.26 -5.15 105.19 101.24 1bve n GLY 52 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1bve n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bve s PHE 53 N -3.00 2.29 0.25 1.61 -0.71 -1.25 -2.18 117.98 114.98 1bve s PHE 53 Ca 0.00 -0.59 0.09 0.00 -1.04 0.00 0.00 56.93 55.39 1bve s PHE 53 Cb 0.00 -1.49 -0.04 0.00 -1.21 0.00 0.00 43.02 40.27 1bve s PHE 53 CO 0.00 -0.15 0.02 0.96 -1.34 0.00 0.00 175.22 174.71 1bve s ILE 54 N -0.30 3.60 0.22 -4.49 -4.36 -0.38 -4.86 121.20 110.63 1bve s ILE 54 Ca 0.01 -1.78 -0.26 0.00 -0.26 0.00 0.00 60.65 58.35 1bve s ILE 54 Cb -0.12 -2.91 -0.09 0.00 1.25 0.00 0.00 42.46 40.60 1bve s ILE 54 CO 0.02 -0.33 0.85 -0.54 0.24 0.00 0.00 174.94 175.18 1bve s LYS 55 N -3.58 4.64 0.18 0.37 1.02 -1.26 -1.35 119.74 119.76 1bve s LYS 55 Ca 0.31 1.27 -0.10 0.00 0.02 0.00 0.00 55.97 57.47 1bve s LYS 55 Cb -0.07 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.08 1bve s LYS 55 CO 0.20 0.49 0.32 0.14 -0.92 0.00 0.00 175.35 175.58 1bve s VAL 56 N -1.27 0.05 -0.33 3.17 -7.23 -1.07 -3.49 120.40 110.22 1bve s VAL 56 Ca 0.41 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1bve s VAL 56 Cb -0.23 -1.93 0.06 0.00 0.56 0.00 0.00 36.38 34.85 1bve s VAL 56 CO 0.27 -0.22 0.07 -0.13 -0.31 0.00 0.00 175.10 174.78 1bve s ARG 57 N -3.98 2.33 -0.36 4.82 3.00 0.30 -1.12 118.95 123.94 1bve s ARG 57 Ca 0.19 -1.41 -0.28 0.00 0.00 0.00 0.00 55.73 54.23 1bve s ARG 57 Cb 0.03 -3.32 -0.03 0.00 0.00 0.00 0.00 34.95 31.62 1bve s ARG 57 CO 0.02 -0.75 1.95 -1.14 0.00 0.00 0.00 175.30 175.39 1bve s GLN 58 N 1.24 3.08 -0.08 3.54 0.74 0.21 -2.64 119.66 125.74 1bve s GLN 58 Ca -0.01 1.44 -0.10 0.00 0.05 0.00 0.00 55.36 56.74 1bve s GLN 58 Cb -0.20 -4.30 -0.05 0.00 1.10 0.00 0.00 33.01 29.56 1bve s GLN 58 CO -0.01 -2.16 0.25 0.71 -0.55 0.00 0.00 175.29 173.52 1bve s TYR 59 N 7.99 3.63 -0.20 1.67 2.02 -0.99 -2.69 117.35 128.78 1bve s TYR 59 Ca 0.84 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 58.24 1bve s TYR 59 Cb -0.23 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.25 1bve s TYR 59 CO 0.31 0.64 -0.17 -0.51 -1.57 0.00 0.00 175.55 174.26 1bve s ASP 60 N -0.85 3.47 0.00 2.29 1.01 -1.25 -2.33 116.67 119.01 1bve s ASP 60 Ca 0.18 -0.78 0.00 0.00 0.71 0.00 0.00 52.55 52.66 1bve s ASP 60 Cb -0.14 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.28 1bve s ASP 60 CO 0.07 -0.04 0.00 0.00 0.21 0.00 0.00 175.17 175.41 1bve n GLN 61 N 4.60 0.00 -4.14 8.23 6.02 -0.56 -4.89 117.38 126.65 1bve n GLN 61 Ca -0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 1bve n GLN 61 Cb 0.48 -1.18 -0.13 0.00 1.02 0.00 0.00 30.24 30.43 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bve s ILE 62 N -2.46 3.70 -0.68 5.09 -1.09 -0.22 -4.77 121.20 120.77 1bve s ILE 62 Ca 0.00 -0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 57.76 1bve s ILE 62 Cb 0.00 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1bve s ILE 62 CO 0.00 0.44 2.07 -0.22 -1.23 0.00 0.00 174.94 176.00 1bve s LEU 63 N 0.99 3.23 -0.30 2.97 1.98 -1.26 -1.86 118.68 124.44 1bve s LEU 63 Ca 0.01 0.22 -0.08 0.00 -2.89 0.00 0.00 54.13 51.38 1bve s LEU 63 Cb -0.15 -2.53 -0.00 0.00 0.66 0.00 0.00 46.19 44.17 1bve s LEU 63 CO 0.01 -2.76 0.12 -0.51 -1.89 0.00 0.00 176.35 171.32 1bve s ILE 64 N 10.70 4.34 0.10 6.68 2.07 0.04 -4.25 121.20 140.88 1bve s ILE 64 Ca 0.77 -0.48 -0.20 0.00 -1.41 0.00 0.00 60.65 59.33 1bve s ILE 64 Cb -0.12 -3.20 -0.07 0.00 0.13 0.00 0.00 42.46 39.20 1bve s ILE 64 CO 0.15 0.11 0.60 -0.70 -1.91 0.00 0.00 174.94 173.19 1bve s GLU 65 N 1.57 4.23 -0.07 3.50 2.12 -0.70 -1.91 118.70 127.44 1bve s GLU 65 Ca 0.04 0.77 0.03 0.00 0.36 0.00 0.00 54.97 56.17 1bve s GLU 65 Cb -0.17 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.05 1bve s GLU 65 CO 0.05 0.60 -0.14 0.42 -0.54 0.00 0.00 175.26 175.64 1bve s ILE 66 N -1.19 1.24 -0.06 -3.70 1.09 -0.98 -1.80 121.20 115.82 1bve s ILE 66 Ca 0.32 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 59.32 1bve s ILE 66 Cb -0.19 -1.12 0.00 0.00 -1.06 0.00 0.00 42.46 40.08 1bve s ILE 66 CO 0.20 0.38 0.00 0.00 -0.10 0.00 0.00 174.94 175.42 1bve n GLY 68 N -0.50 0.83 2.67 0.00 0.00 -1.26 -4.96 105.19 101.97 1bve n GLY 68 Ca -0.01 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.79 1.24 -0.24 1.61 4.02 0.33 -5.09 115.29 114.36 1bve s HIS 69 Ca 0.00 -1.41 -0.41 0.00 1.02 0.00 0.00 55.06 54.26 1bve s HIS 69 Cb 0.00 -1.42 -0.17 0.00 -1.02 0.00 0.00 32.58 29.98 1bve s HIS 69 CO 0.00 -0.84 1.63 1.17 1.02 0.00 0.00 174.74 177.71 1bve n LYS 70 N 4.98 0.93 -3.38 1.40 4.81 -1.26 -2.31 118.16 123.34 1bve n LYS 70 Ca -0.04 0.34 -0.15 0.00 -0.87 0.00 0.00 58.31 57.59 1bve n LYS 70 Cb 0.42 -1.98 -0.09 0.00 0.02 0.00 0.00 35.03 33.41 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bve s ALA 71 N 2.82 -0.67 0.56 3.14 0.00 -0.80 -4.83 121.76 121.98 1bve s ALA 71 Ca 0.97 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.74 1bve s ALA 71 Cb -1.13 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 1bve s ALA 71 CO 0.65 -1.67 0.95 0.42 0.00 0.00 0.00 175.76 176.11 1bve s ILE 72 N 2.41 4.73 -0.51 0.00 1.01 -1.26 -0.78 121.20 126.81 1bve s ILE 72 Ca 0.10 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1bve s ILE 72 Cb -0.14 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.50 1bve s ILE 72 CO -0.30 -0.97 0.00 0.61 0.00 0.00 0.00 174.94 174.28 1bve n GLY 73 N -2.35 -0.66 3.51 6.18 0.00 -0.78 -4.84 105.19 106.26 1bve n GLY 73 Ca 0.05 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.00 4.98 -0.26 2.61 2.01 -1.26 -1.06 115.64 119.65 1bve s THR 74 Ca 0.00 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1bve s THR 74 Cb 0.00 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1bve s THR 74 CO 0.00 0.13 0.05 -0.69 -0.69 0.00 0.00 174.62 173.42 1bve s VAL 75 N 1.69 3.98 -0.50 3.82 1.01 -0.98 -2.87 120.40 126.55 1bve s VAL 75 Ca 0.06 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 1bve s VAL 75 Cb -0.17 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1bve s VAL 75 CO 0.09 0.24 0.89 -0.76 0.00 0.00 0.00 175.10 175.55 1bve s LEU 76 N 1.54 4.14 -0.36 3.92 1.02 -0.43 -2.34 118.68 126.16 1bve s LEU 76 Ca 0.05 -0.18 -0.20 0.00 0.02 0.00 0.00 54.13 53.82 1bve s LEU 76 Cb -0.16 -2.95 0.00 0.00 0.02 0.00 0.00 46.19 43.10 1bve s LEU 76 CO 0.02 -1.09 0.60 -0.69 0.02 0.00 0.00 176.35 175.20 1bve s VAL 77 N 3.69 4.92 0.00 -1.59 1.01 -1.08 -0.06 120.40 127.29 1bve s VAL 77 Ca 0.32 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1bve s VAL 77 Cb -0.12 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1bve s VAL 77 CO 0.22 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.61 1bve n GLY 78 N 4.75 3.11 1.67 4.51 0.00 -1.07 -0.54 105.19 117.62 1bve n GLY 78 Ca -0.02 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 1.33 -2.85 1.61 -0.04 -1.23 -0.75 135.00 133.06 1bve n PRO 79 Ca 0.00 -0.45 -0.40 0.00 -0.04 0.00 0.00 63.50 62.61 1bve n PRO 79 Cb 0.00 -1.29 -0.05 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 -0.19 4.37 -0.85 0.52 -1.32 -1.26 -4.92 115.64 111.99 1bve s THR 80 Ca 0.18 1.89 0.00 0.00 -1.21 0.00 0.00 61.69 62.55 1bve s THR 80 Cb 0.10 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.86 1bve s THR 80 CO -0.01 0.44 0.56 -0.81 -2.21 0.00 0.00 174.62 172.60 1bve n PRO 81 N 2.02 0.97 -3.46 7.08 -0.04 -1.26 -3.99 135.00 136.33 1bve n PRO 81 Ca -0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.49 -1.41 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.84 0.00 -0.66 0.52 1.01 -1.26 -5.03 120.40 114.13 1bve s VAL 82 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1bve s VAL 82 Cb 0.00 -1.07 0.17 0.00 0.00 0.00 0.00 36.38 35.49 1bve s VAL 82 CO 0.00 0.00 0.58 0.20 0.00 0.00 0.00 175.10 175.88 1bve s ASN 83 N -2.73 6.25 -0.16 3.32 -0.87 -1.26 -2.61 114.94 116.88 1bve s ASN 83 Ca 0.02 -2.32 -0.15 0.00 -1.57 0.00 0.00 52.86 48.84 1bve s ASN 83 Cb -0.01 -2.14 -0.04 0.00 -0.02 0.00 0.00 41.25 39.04 1bve s ASN 83 CO -0.11 -0.65 0.37 -0.63 -2.57 0.00 0.00 177.10 173.50 1bve s ILE 84 N 0.75 5.25 -0.40 0.60 1.01 -0.61 -0.62 121.20 127.18 1bve s ILE 84 Ca 0.11 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 61.34 1bve s ILE 84 Cb -0.20 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1bve s ILE 84 CO -0.03 0.34 0.26 -0.63 0.00 0.00 0.00 174.94 174.87 1bve s ILE 85 N 0.71 4.63 0.00 2.92 -1.09 -1.18 -0.18 121.20 127.00 1bve s ILE 85 Ca 0.20 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1bve s ILE 85 Cb -0.14 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1bve s ILE 85 CO 0.07 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.01 1bve n GLY 86 N 5.02 0.08 0.28 6.18 0.00 0.30 -0.55 105.19 116.50 1bve n GLY 86 Ca -0.11 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.12 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 0.33 -1.20 1.61 2.47 -1.46 -1.24 114.38 114.89 1bve h ARG 87 Ca 0.00 -0.03 0.35 0.00 -1.26 0.00 0.00 59.98 59.04 1bve h ARG 87 Cb 0.00 -0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.20 1bve h ARG 87 CO 0.00 0.25 0.92 -2.95 0.56 0.00 0.00 179.97 178.75 1bve h ASN 88 N 0.34 0.00 0.00 7.04 -1.07 -1.71 -0.02 115.58 120.15 1bve h ASN 88 Ca 0.09 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.19 1bve h ASN 88 Cb 0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.22 1bve h ASN 88 CO -0.01 0.00 -2.00 0.18 0.07 0.00 0.00 177.43 175.67 1bve n LEU 89 N -4.02 2.01 0.09 6.14 7.99 -0.56 -3.89 117.00 124.76 1bve n LEU 89 Ca 0.26 -0.06 0.07 0.00 -0.01 0.00 0.00 56.01 56.27 1bve n LEU 89 Cb 1.31 -0.31 0.36 0.00 -0.11 0.00 0.00 43.42 44.68 1bve n LEU 89 CO 0.38 0.65 0.72 0.18 -1.51 0.00 0.00 177.39 177.82 1bve n LEU 90 N -2.86 0.35 -0.01 2.23 4.77 -0.66 -0.71 117.00 120.11 1bve n LEU 90 Ca -0.29 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.43 1bve n LEU 90 Cb 0.87 -0.66 -0.16 0.00 -2.33 0.00 0.00 43.42 41.14 1bve n LEU 90 CO 0.22 -0.68 -0.77 0.35 -1.33 0.00 0.00 177.39 175.18 1bve n THR 91 N -1.94 0.05 0.11 -5.08 -2.24 -0.11 0.12 114.28 105.19 1bve n THR 91 Ca 0.00 -0.50 -0.23 0.00 -2.27 0.00 0.00 64.05 61.05 1bve n THR 91 Cb 0.07 -0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 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 0.53 0.00 -0.78 1.08 -1.03 -3.18 115.11 111.73 1bve h GLN 92 Ca -0.02 -0.83 0.00 0.00 -1.45 0.00 0.00 58.65 56.35 1bve h GLN 92 Cb 1.02 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.74 1bve h GLN 92 CO 0.00 1.39 0.00 -0.84 -0.95 0.00 0.00 178.83 178.43 1bve h ILE 93 N 0.10 0.00 0.00 2.54 3.07 -1.54 -3.47 117.51 118.20 1bve h ILE 93 Ca -0.22 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.69 1bve h ILE 93 Cb 1.99 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 40.05 1bve h ILE 93 CO 0.24 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.95 1bve n GLY 94 N 1.30 1.01 3.68 0.16 0.00 -1.20 -5.06 105.19 105.07 1bve n GLY 94 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1bve n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bve n ALA 95 N -1.97 0.90 -3.71 4.61 0.00 0.31 -4.95 120.51 115.70 1bve n ALA 95 Ca 0.00 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.39 1bve n ALA 95 Cb 0.00 -2.23 -0.16 0.00 0.00 0.00 0.00 19.45 17.06 1bve n ALA 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1bve s THR 96 N -1.34 0.17 -0.70 0.00 -4.23 -1.26 -4.64 115.64 103.64 1bve s THR 96 Ca 0.70 0.09 -0.23 0.00 -1.18 0.00 0.00 61.69 61.07 1bve s THR 96 Cb -0.45 -0.27 0.07 0.00 1.34 0.00 0.00 72.50 73.19 1bve s THR 96 CO 0.51 0.14 1.01 -0.76 -0.54 0.00 0.00 174.62 174.99 1bve s LEU 97 N 1.01 4.34 -0.09 4.79 1.02 -1.26 -5.00 118.68 123.49 1bve s LEU 97 Ca -0.10 -1.06 0.01 0.00 0.02 0.00 0.00 54.13 52.99 1bve s LEU 97 Cb -0.14 -2.43 -0.03 0.00 0.02 0.00 0.00 46.19 43.62 1bve s LEU 97 CO -0.02 -1.44 -0.09 0.20 0.02 0.00 0.00 176.35 175.03 1bve s ASN 98 N 3.72 4.44 0.00 2.29 0.02 -1.26 -5.32 114.94 118.83 1bve s ASN 98 Ca 0.25 -0.12 0.00 0.00 -1.02 0.00 0.00 52.86 51.96 1bve s ASN 98 Cb -0.15 -1.27 0.00 0.00 0.02 0.00 0.00 41.25 39.85 1bve s ASN 98 CO 0.08 0.30 0.00 2.22 0.02 0.00 0.00 177.10 179.72