#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 4.06 -0.33 -0.52 0.74 -1.26 -5.01 119.66 117.34 1bve s GLN 2 Ca 0.00 0.72 -0.01 0.00 0.05 0.00 0.00 55.36 56.12 1bve s GLN 2 Cb 0.00 -3.69 0.07 0.00 1.10 0.00 0.00 33.01 30.49 1bve s GLN 2 CO 0.00 -0.60 0.06 0.08 -0.55 0.00 0.00 175.29 174.28 1bve s VAL 3 N 2.88 2.95 -0.17 1.34 1.01 -1.26 -4.92 120.40 122.23 1bve s VAL 3 Ca 0.33 -1.71 0.14 0.00 0.00 0.00 0.00 61.98 60.74 1bve s VAL 3 Cb -0.15 -2.85 0.42 0.00 0.00 0.00 0.00 36.38 33.81 1bve s VAL 3 CO 0.10 -0.33 1.21 0.35 0.00 0.00 0.00 175.10 176.43 1bve n THR 4 N 4.56 1.84 -0.84 3.92 -2.24 -1.26 -4.79 114.28 115.47 1bve n THR 4 Ca -0.08 -2.87 -0.16 0.00 -2.27 0.00 0.00 64.05 58.66 1bve n THR 4 Cb 0.43 -0.03 0.04 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.85 6.37 -2.97 3.22 4.32 -1.26 -4.88 117.00 120.95 1bve n LEU 5 Ca 0.17 -3.26 0.00 0.00 -0.02 0.00 0.00 56.01 52.90 1bve n LEU 5 Cb 0.77 -1.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1bve n LEU 5 CO -0.04 1.20 0.00 0.79 -1.22 0.00 0.00 177.39 178.12 1bve n TRP 6 N 0.30 0.00 -4.13 -1.77 8.01 -1.26 -4.81 117.44 113.78 1bve n TRP 6 Ca 0.30 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 56.36 1bve n TRP 6 Cb 0.61 0.00 -0.07 0.00 -2.01 0.00 0.00 31.31 29.84 1bve n TRP 6 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1bve s GLN 7 N -3.96 1.60 -0.08 -0.99 -1.52 -1.26 -5.10 119.66 108.34 1bve s GLN 7 Ca 0.00 -1.65 -0.29 0.00 -1.95 0.00 0.00 55.36 51.46 1bve s GLN 7 Cb 0.00 0.38 -0.05 0.00 -0.22 0.00 0.00 33.01 33.11 1bve s GLN 7 CO 0.00 -0.62 1.73 1.03 -0.25 0.00 0.00 175.29 177.19 1bve s ARG 8 N -3.66 4.03 -1.25 2.91 0.52 -1.26 -4.86 118.95 115.38 1bve s ARG 8 Ca 0.33 2.14 -0.17 0.00 -0.52 0.00 0.00 55.73 57.51 1bve s ARG 8 Cb 0.02 -4.05 -0.01 0.00 0.52 0.00 0.00 34.95 31.43 1bve s ARG 8 CO 0.17 -1.04 2.08 -0.35 0.02 0.00 0.00 175.30 176.18 1bve n PRO 9 N 7.41 2.48 -3.32 3.54 -0.04 -1.26 -4.94 135.00 138.87 1bve n PRO 9 Ca 0.19 -2.48 -0.27 0.00 -0.04 0.00 0.00 63.50 60.91 1bve n PRO 9 Cb 0.43 -3.24 -0.02 0.00 -0.04 0.00 0.00 33.50 30.63 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 2.59 4.02 -0.15 1.53 1.43 -1.26 -2.91 118.68 123.93 1bve s LEU 10 Ca 0.52 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 54.11 1bve s LEU 10 Cb 0.12 -3.46 0.04 0.00 0.03 0.00 0.00 46.19 42.93 1bve s LEU 10 CO -0.00 -0.25 0.39 0.68 0.23 0.00 0.00 176.35 177.39 1bve s VAL 11 N -2.21 -0.01 -0.36 -1.59 -7.23 -0.73 -4.92 120.40 103.35 1bve s VAL 11 Ca 0.42 0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 60.35 1bve s VAL 11 Cb -0.10 -0.55 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 1bve s VAL 11 CO 0.33 0.01 1.79 -0.89 -0.31 0.00 0.00 175.10 176.04 1bve s THR 12 N 0.61 3.48 0.13 5.32 2.01 -1.26 -1.31 115.64 124.62 1bve s THR 12 Ca -0.03 0.47 -0.00 0.00 0.31 0.00 0.00 61.69 62.44 1bve s THR 12 Cb -0.05 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1bve s THR 12 CO -0.04 -0.46 0.30 0.27 -0.69 0.00 0.00 174.62 173.99 1bve s ILE 13 N 7.07 5.30 -0.36 1.82 -5.25 -0.67 -3.79 121.20 125.31 1bve s ILE 13 Ca 0.78 -0.41 -0.03 0.00 -0.99 0.00 0.00 60.65 60.00 1bve s ILE 13 Cb -0.21 -3.69 0.08 0.00 2.95 0.00 0.00 42.46 41.59 1bve s ILE 13 CO 0.32 -0.01 0.12 -0.75 -1.79 0.00 0.00 174.94 172.83 1bve s LYS 14 N -2.93 2.22 -0.10 0.37 2.20 -0.89 -2.59 119.74 118.03 1bve s LYS 14 Ca 0.36 -1.55 0.04 0.00 -0.36 0.00 0.00 55.97 54.46 1bve s LYS 14 Cb -0.12 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1bve s LYS 14 CO 0.28 -0.87 -0.23 0.42 -0.36 0.00 0.00 175.35 174.59 1bve s ILE 15 N 1.21 1.97 -1.52 5.43 1.01 -1.00 -2.15 121.20 126.15 1bve s ILE 15 Ca 0.02 -0.97 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 1bve s ILE 15 Cb -0.21 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.56 1bve s ILE 15 CO -0.02 0.54 0.64 0.61 0.00 0.00 0.00 174.94 176.71 1bve n GLY 16 N 3.57 -0.52 2.31 6.18 0.00 -1.26 -0.69 105.19 114.77 1bve n GLY 16 Ca -0.19 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.52 0.40 2.54 -0.02 0.00 -1.26 -4.99 105.19 100.33 1bve n GLY 17 Ca -0.09 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 1bve n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bve n GLN 18 N -2.42 1.07 -3.67 1.61 1.13 0.13 -5.14 117.38 110.10 1bve n GLN 18 Ca -0.15 -2.59 -0.10 0.00 -1.94 0.00 0.00 57.00 52.22 1bve n GLN 18 Cb 0.56 0.78 -0.10 0.00 0.11 0.00 0.00 30.24 31.59 1bve n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bve s LEU 19 N 0.00 -0.39 0.15 1.08 1.43 -1.26 -2.39 118.68 117.31 1bve s LEU 19 Ca 0.02 0.91 -0.03 0.00 -1.03 0.00 0.00 54.13 54.00 1bve s LEU 19 Cb 0.00 1.29 -0.03 0.00 0.03 0.00 0.00 46.19 47.48 1bve s LEU 19 CO 0.01 -0.22 0.13 -0.54 0.23 0.00 0.00 176.35 175.96 1bve s LYS 20 N 2.11 1.02 0.05 1.70 1.02 -1.07 -4.97 119.74 119.60 1bve s LYS 20 Ca -0.05 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 1bve s LYS 20 Cb -0.11 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1bve s LYS 20 CO -0.12 -0.32 1.00 -1.21 -0.92 0.00 0.00 175.35 173.78 1bve s GLU 21 N -4.04 4.59 -0.10 1.68 8.01 -1.26 -1.67 118.70 125.91 1bve s GLU 21 Ca 0.24 1.48 -0.02 0.00 0.01 0.00 0.00 54.97 56.68 1bve s GLU 21 Cb 0.06 -3.42 -0.03 0.00 -4.31 0.00 0.00 34.13 26.43 1bve s GLU 21 CO 0.03 0.01 -0.02 0.00 0.01 0.00 0.00 175.26 175.29 1bve s ALA 22 N 0.66 3.16 -0.53 5.21 0.00 -0.43 -3.77 121.76 126.07 1bve s ALA 22 Ca 0.51 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.53 1bve s ALA 22 Cb -0.23 -1.44 0.13 0.00 0.00 0.00 0.00 23.12 21.58 1bve s ALA 22 CO 0.29 0.50 0.43 -1.17 0.00 0.00 0.00 175.76 175.81 1bve s LEU 23 N -0.60 5.89 -0.91 0.00 2.96 -0.44 -1.77 118.68 123.81 1bve s LEU 23 Ca 0.10 -1.99 -0.22 0.00 -0.22 0.00 0.00 54.13 51.79 1bve s LEU 23 Cb -0.12 -2.07 -0.23 0.00 0.50 0.00 0.00 46.19 44.27 1bve s LEU 23 CO 0.02 -0.71 2.43 0.18 -1.32 0.00 0.00 176.35 176.95 1bve n LEU 24 N 4.85 0.09 -4.37 -0.68 4.77 -1.15 -2.88 117.00 117.64 1bve n LEU 24 Ca -0.07 -0.38 -0.45 0.00 -0.03 0.00 0.00 56.01 55.09 1bve n LEU 24 Cb 0.41 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1bve n LEU 24 CO 0.45 -1.32 0.97 -0.67 -1.33 0.00 0.00 177.39 175.49 1bve n ASP 25 N 10.38 5.46 0.12 -1.43 -0.08 0.72 -4.80 116.55 126.92 1bve n ASP 25 Ca 0.61 -3.03 0.09 0.00 -1.51 0.00 0.00 54.79 50.95 1bve n ASP 25 Cb 0.18 -1.43 0.46 0.00 2.34 0.00 0.00 41.12 42.67 1bve n ASP 25 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1bve n THR 26 N 3.19 1.13 -0.04 5.18 -1.04 -1.26 -1.78 114.28 119.67 1bve n THR 26 Ca 0.28 0.54 -0.16 0.00 -2.04 0.00 0.00 64.05 62.67 1bve n THR 26 Cb 0.40 -1.51 -0.07 0.00 -1.82 0.00 0.00 70.33 67.33 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 0.72 0.79 -0.76 3.41 0.00 -1.90 -3.43 103.07 101.90 1bve h GLY 27 Ca 0.00 -1.05 -0.47 0.00 0.00 0.00 0.00 47.33 45.81 1bve h GLY 27 CO 0.00 0.94 0.35 0.00 0.00 0.00 0.00 176.54 177.83 1bve s ALA 28 N -3.84 2.21 -0.25 3.60 0.00 -0.73 -4.97 121.76 117.77 1bve s ALA 28 Ca -0.11 -0.51 0.21 0.00 0.00 0.00 0.00 51.96 51.54 1bve s ALA 28 Cb 0.08 -3.02 -0.30 0.00 0.00 0.00 0.00 23.12 19.88 1bve s ALA 28 CO 0.87 -1.93 0.56 -0.25 0.00 0.00 0.00 175.76 175.01 1bve n ASP 29 N -3.52 0.37 -2.82 0.00 9.92 -1.26 -2.59 116.55 116.65 1bve n ASP 29 Ca 0.07 -0.24 -0.15 0.00 -0.53 0.00 0.00 54.79 53.94 1bve n ASP 29 Cb 0.59 1.73 -0.05 0.00 -0.64 0.00 0.00 41.12 42.75 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 -2.05 0.26 -4.35 -2.24 8.00 -1.26 -1.10 116.55 113.80 1bve n ASP 30 Ca -0.02 -2.52 -0.46 0.00 0.71 0.00 0.00 54.79 52.50 1bve n ASP 30 Cb 0.49 0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 42.54 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 -2.79 5.60 0.93 -3.53 2.01 -1.13 0.47 115.64 117.20 1bve s THR 31 Ca 0.22 -2.58 -0.12 0.00 0.31 0.00 0.00 61.69 59.51 1bve s THR 31 Cb 0.01 -4.53 0.15 0.00 0.01 0.00 0.00 72.50 68.14 1bve s THR 31 CO 0.15 -1.11 1.11 0.54 -0.69 0.00 0.00 174.62 174.61 1bve s VAL 32 N 0.14 2.30 -0.28 3.82 0.11 0.73 -0.96 120.40 126.26 1bve s VAL 32 Ca 0.22 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.16 1bve s VAL 32 Cb -0.09 -2.69 0.10 0.00 -1.53 0.00 0.00 36.38 32.16 1bve s VAL 32 CO -0.09 -0.13 0.82 -0.76 -3.33 0.00 0.00 175.10 171.61 1bve s LEU 33 N -6.20 -0.71 1.03 2.54 1.02 0.31 0.10 118.68 116.76 1bve s LEU 33 Ca 0.64 1.24 -0.23 0.00 0.02 0.00 0.00 54.13 55.80 1bve s LEU 33 Cb -0.17 2.20 -0.06 0.00 0.02 0.00 0.00 46.19 48.19 1bve s LEU 33 CO 0.56 -0.21 -0.83 -0.62 0.02 0.00 0.00 176.35 175.27 1bve n GLU 34 N 3.27 -0.74 -1.48 1.70 1.02 -0.97 -1.79 120.64 121.65 1bve n GLU 34 Ca -0.16 -0.21 -0.35 0.00 -0.02 0.00 0.00 57.16 56.41 1bve n GLU 34 Cb 0.57 -1.29 0.09 0.00 -0.02 0.00 0.00 31.44 30.79 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 -2.63 2.17 0.00 3.49 2.12 0.17 -4.02 118.70 120.00 1bve s GLU 35 Ca 0.43 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.67 1bve s GLU 35 Cb 0.01 -1.82 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1bve s GLU 35 CO 0.63 -1.85 0.00 0.00 -0.54 0.00 0.00 175.26 173.49 1bve n MET 36 N -2.51 0.00 -4.34 4.30 0.00 -1.26 -4.95 117.12 108.35 1bve n MET 36 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.51 1bve n MET 36 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 33.22 33.58 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 2.00 4.53 0.29 3.17 0.15 -1.26 -5.08 113.70 117.49 1bve s SER 37 Ca 0.00 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.44 1bve s SER 37 Cb 0.00 -1.74 -0.06 0.00 -1.71 0.00 0.00 66.02 62.51 1bve s SER 37 CO 0.00 0.12 0.08 -0.76 1.20 0.00 0.00 173.24 173.88 1bve s LEU 38 N 0.67 1.85 -0.14 3.45 2.01 -1.26 -4.71 118.68 120.55 1bve s LEU 38 Ca -0.03 -1.38 -0.28 0.00 0.01 0.00 0.00 54.13 52.44 1bve s LEU 38 Cb -0.15 -0.14 -0.01 0.00 0.01 0.00 0.00 46.19 45.91 1bve s LEU 38 CO 0.02 -0.68 0.97 -2.16 1.01 0.00 0.00 176.35 175.52 1bve s PRO 39 N -3.98 4.36 -0.39 1.29 0.04 -1.26 -4.96 135.00 130.11 1bve s PRO 39 Ca 0.37 1.30 -0.43 0.00 0.04 0.00 0.00 61.00 62.29 1bve s PRO 39 Cb 0.08 -3.57 -0.17 0.00 0.04 0.00 0.00 34.50 30.88 1bve s PRO 39 CO 0.14 -0.38 1.79 0.41 0.04 0.00 0.00 177.00 179.01 1bve n GLY 40 N 3.22 0.47 0.00 0.56 0.00 -1.26 -4.33 105.19 103.84 1bve n GLY 40 Ca 0.08 0.98 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 5.48 0.00 -3.00 1.61 1.74 -1.26 -5.15 116.66 116.09 1bve n ARG 41 Ca 0.33 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.29 1bve n ARG 41 Cb 0.05 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.47 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 0.00 0.28 -3.74 -1.55 4.27 -1.26 -4.13 117.44 111.32 1bve n TRP 42 Ca 0.00 -0.99 -0.12 0.00 -3.89 0.00 0.00 57.50 52.49 1bve n TRP 42 Cb 0.00 -0.14 -0.11 0.00 -1.36 0.00 0.00 31.31 29.70 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 -2.75 0.40 0.21 -2.67 1.02 -0.99 -4.95 119.74 110.00 1bve s LYS 43 Ca 0.01 0.57 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 1bve s LYS 43 Cb -0.00 0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.35 1bve s LYS 43 CO 0.01 -0.08 1.11 -1.25 -0.92 0.00 0.00 175.35 174.21 1bve s PRO 44 N 0.55 4.60 0.06 -1.68 0.04 -1.26 -0.06 135.00 137.26 1bve s PRO 44 Ca -0.03 1.75 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 1bve s PRO 44 Cb -0.05 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1bve s PRO 44 CO -0.03 0.10 0.19 -1.59 0.04 0.00 0.00 177.00 175.71 1bve s LYS 45 N -0.65 0.77 -0.14 4.56 0.00 -1.13 -4.89 119.74 118.26 1bve s LYS 45 Ca 0.48 -0.80 0.02 0.00 0.00 0.00 0.00 55.97 55.67 1bve s LYS 45 Cb -0.30 0.32 0.01 0.00 0.00 0.00 0.00 37.83 37.85 1bve s LYS 45 CO 0.37 -0.23 -0.21 1.41 0.00 0.00 0.00 175.35 176.68 1bve s MET 46 N -3.24 3.05 -0.13 1.78 1.75 -1.26 -1.72 119.30 119.53 1bve s MET 46 Ca 0.00 -0.84 -0.05 0.00 -1.25 0.00 0.00 55.69 53.56 1bve s MET 46 Cb 0.02 -2.45 -0.04 0.00 2.84 0.00 0.00 34.83 35.20 1bve s MET 46 CO -0.08 0.01 0.04 0.96 -0.65 0.00 0.00 175.02 175.30 1bve s ILE 47 N 0.78 4.64 -0.33 10.11 -4.36 -0.78 -4.94 121.20 126.32 1bve s ILE 47 Ca -0.08 -0.11 0.02 0.00 -0.26 0.00 0.00 60.65 60.23 1bve s ILE 47 Cb -0.16 -3.01 0.09 0.00 1.25 0.00 0.00 42.46 40.63 1bve s ILE 47 CO -0.01 0.56 0.04 -0.83 0.24 0.00 0.00 174.94 174.94 1bve s GLY 48 N -0.44 1.88 0.00 6.27 0.00 -1.26 -1.11 107.32 112.65 1bve s GLY 48 Ca 0.09 -2.34 0.00 0.00 0.00 0.00 0.00 44.72 42.47 1bve s GLY 48 CO 0.02 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.61 1bve n GLY 49 N 4.37 1.94 3.67 0.20 0.00 -1.01 -4.97 105.19 109.40 1bve n GLY 49 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 3.72 4.73 0.00 -0.61 1.01 -1.26 -4.08 121.20 124.70 1bve s ILE 50 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 1bve s ILE 50 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1bve s ILE 50 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1bve n GLY 51 N 3.24 2.88 0.00 6.18 0.00 -1.26 -4.95 105.19 111.28 1bve n GLY 51 Ca 0.10 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.97 3.42 -0.02 0.00 -1.26 -5.15 105.19 103.16 1bve n GLY 52 Ca 0.00 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.16 2.81 0.39 1.61 0.40 -1.26 -2.39 117.98 117.37 1bve s PHE 53 Ca 0.00 -0.44 0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1bve s PHE 53 Cb 0.00 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 1bve s PHE 53 CO 0.00 -0.05 0.15 0.96 0.70 0.00 0.00 175.22 176.98 1bve s ILE 54 N -0.02 2.53 -0.11 0.64 -4.36 -0.27 -4.94 121.20 114.66 1bve s ILE 54 Ca -0.03 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1bve s ILE 54 Cb -0.14 -2.96 -0.02 0.00 1.25 0.00 0.00 42.46 40.59 1bve s ILE 54 CO 0.04 -0.07 -0.12 -0.54 0.24 0.00 0.00 174.94 174.48 1bve s LYS 55 N -3.87 3.21 0.21 0.37 1.02 -1.26 -1.86 119.74 117.56 1bve s LYS 55 Ca 0.40 -0.67 0.01 0.00 0.02 0.00 0.00 55.97 55.73 1bve s LYS 55 Cb 0.02 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.72 1bve s LYS 55 CO 0.22 0.32 0.05 1.33 -0.92 0.00 0.00 175.35 176.35 1bve n VAL 56 N 3.22 0.00 -3.78 3.17 0.24 -0.70 -3.44 118.33 117.04 1bve n VAL 56 Ca -0.18 -1.15 -0.30 0.00 -2.04 0.00 0.00 64.34 60.68 1bve n VAL 56 Cb 0.53 0.36 -0.14 0.00 -1.47 0.00 0.00 33.84 33.12 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 -2.78 1.36 -0.75 7.34 0.52 0.32 -2.85 118.95 122.10 1bve s ARG 57 Ca 0.07 -1.99 -0.24 0.00 -0.52 0.00 0.00 55.73 53.05 1bve s ARG 57 Cb 0.00 -2.55 -0.16 0.00 0.52 0.00 0.00 34.95 32.77 1bve s ARG 57 CO 0.05 -1.11 2.41 0.94 0.02 0.00 0.00 175.30 177.62 1bve n GLN 58 N 3.69 0.57 -3.23 3.54 7.27 0.91 -2.18 117.38 127.96 1bve n GLN 58 Ca 0.06 -0.35 -0.39 0.00 0.07 0.00 0.00 57.00 56.40 1bve n GLN 58 Cb 0.36 -2.95 -0.06 0.00 2.41 0.00 0.00 30.24 30.00 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 11.12 3.64 -0.06 3.69 2.02 -0.54 -2.35 117.35 134.87 1bve s TYR 59 Ca 1.06 1.13 0.01 0.00 -0.37 0.00 0.00 57.07 58.90 1bve s TYR 59 Cb -0.39 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.54 1bve s TYR 59 CO 0.26 0.30 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.95 1bve s ASP 60 N 0.03 4.49 -0.50 2.29 1.11 -1.26 -0.49 116.67 122.35 1bve s ASP 60 Ca 0.30 -0.07 -0.02 0.00 0.18 0.00 0.00 52.55 52.95 1bve s ASP 60 Cb -0.17 -1.10 -0.02 0.00 1.07 0.00 0.00 42.92 42.69 1bve s ASP 60 CO 0.16 0.36 0.44 0.00 1.18 0.00 0.00 175.17 177.31 1bve n GLN 61 N 2.26 -1.01 -4.29 8.23 3.00 -0.76 -4.95 117.38 119.85 1bve n GLN 61 Ca -0.18 0.66 -0.33 0.00 -0.01 0.00 0.00 57.00 57.13 1bve n GLN 61 Cb 0.53 -3.77 -0.15 0.00 0.00 0.00 0.00 30.24 26.85 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1bve s ILE 62 N -3.13 2.60 -1.05 5.09 1.09 -0.40 -4.77 121.20 120.62 1bve s ILE 62 Ca 0.16 -0.77 -0.25 0.00 -1.10 0.00 0.00 60.65 58.68 1bve s ILE 62 Cb -0.02 -2.11 -0.15 0.00 -1.06 0.00 0.00 42.46 39.12 1bve s ILE 62 CO 0.39 0.51 2.08 -0.22 -0.10 0.00 0.00 174.94 177.59 1bve s LEU 63 N 1.08 2.76 -0.30 2.97 1.98 -1.26 -1.84 118.68 124.07 1bve s LEU 63 Ca -0.00 -1.03 -0.20 0.00 -2.89 0.00 0.00 54.13 50.01 1bve s LEU 63 Cb -0.14 -2.58 -0.01 0.00 0.66 0.00 0.00 46.19 44.11 1bve s LEU 63 CO -0.05 -3.83 0.61 -0.51 -1.89 0.00 0.00 176.35 170.68 1bve s ILE 64 N 13.86 4.97 0.01 6.68 2.07 0.72 -4.44 121.20 145.06 1bve s ILE 64 Ca 0.77 0.85 -0.18 0.00 -1.41 0.00 0.00 60.65 60.68 1bve s ILE 64 Cb -0.05 -3.97 -0.06 0.00 0.13 0.00 0.00 42.46 38.52 1bve s ILE 64 CO 0.13 -0.10 0.53 -0.70 -1.91 0.00 0.00 174.94 172.89 1bve s GLU 65 N 2.54 4.19 -0.22 3.50 -6.30 -0.91 -2.06 118.70 119.44 1bve s GLU 65 Ca 0.24 0.63 0.01 0.00 -2.50 0.00 0.00 54.97 53.35 1bve s GLU 65 Cb -0.15 -3.29 0.05 0.00 0.00 0.00 0.00 34.13 30.74 1bve s GLU 65 CO 0.11 0.51 -0.09 0.42 0.02 0.00 0.00 175.26 176.24 1bve s ILE 66 N -0.61 1.65 -1.85 -3.70 1.09 -0.84 -2.09 121.20 114.86 1bve s ILE 66 Ca 0.28 -1.14 0.00 0.00 -1.10 0.00 0.00 60.65 58.69 1bve s ILE 66 Cb -0.18 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.42 1bve s ILE 66 CO 0.16 0.06 0.00 0.00 -0.10 0.00 0.00 174.94 175.06 1bve n GLY 68 N -0.80 0.83 3.38 0.00 0.00 -1.26 -5.04 105.19 102.31 1bve n GLY 68 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.05 3.25 0.01 1.61 3.76 -0.34 -5.03 115.29 116.51 1bve s HIS 69 Ca 0.00 -0.96 -0.35 0.00 -0.15 0.00 0.00 55.06 53.60 1bve s HIS 69 Cb 0.00 -3.13 -0.13 0.00 1.11 0.00 0.00 32.58 30.43 1bve s HIS 69 CO 0.00 -0.79 1.69 1.17 -0.85 0.00 0.00 174.74 175.96 1bve n LYS 70 N 5.18 1.96 -3.80 1.40 4.81 -1.26 -1.98 118.16 124.46 1bve n LYS 70 Ca -0.12 0.71 -0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1bve n LYS 70 Cb 0.44 -2.49 -0.10 0.00 0.02 0.00 0.00 35.03 32.90 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 2.39 -0.59 0.20 3.14 0.00 -0.87 -4.93 121.76 121.09 1bve s ALA 71 Ca 0.87 0.35 0.10 0.00 0.00 0.00 0.00 51.96 53.27 1bve s ALA 71 Cb -0.75 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 1bve s ALA 71 CO 0.47 -0.19 -0.11 0.42 0.00 0.00 0.00 175.76 176.35 1bve s ILE 72 N -0.76 3.05 -0.02 0.00 -1.09 -1.26 0.26 121.20 121.37 1bve s ILE 72 Ca -0.09 -1.79 -0.10 0.00 -2.23 0.00 0.00 60.65 56.45 1bve s ILE 72 Cb -0.05 -2.52 0.03 0.00 -1.58 0.00 0.00 42.46 38.34 1bve s ILE 72 CO 0.02 -0.16 0.45 0.61 -1.23 0.00 0.00 174.94 174.64 1bve n GLY 73 N -0.06 0.37 3.48 6.18 0.00 -0.77 -4.81 105.19 109.58 1bve n GLY 73 Ca -0.10 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.05 4.87 -0.37 2.61 2.01 -1.26 -1.28 115.64 120.18 1bve s THR 74 Ca 0.11 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.72 1bve s THR 74 Cb -0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1bve s THR 74 CO -0.01 -0.71 0.23 -0.69 -0.69 0.00 0.00 174.62 172.75 1bve s VAL 75 N 2.68 4.84 -0.17 3.82 1.01 0.35 -2.84 120.40 130.10 1bve s VAL 75 Ca 0.18 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.21 1bve s VAL 75 Cb -0.17 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1bve s VAL 75 CO 0.15 -0.18 0.95 -0.76 0.00 0.00 0.00 175.10 175.25 1bve s LEU 76 N 1.62 4.17 -0.27 3.92 1.02 -0.13 -1.46 118.68 127.54 1bve s LEU 76 Ca 0.04 1.34 -0.09 0.00 0.02 0.00 0.00 54.13 55.43 1bve s LEU 76 Cb -0.19 -3.42 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 1bve s LEU 76 CO 0.08 -0.50 0.13 -0.69 0.02 0.00 0.00 176.35 175.38 1bve s VAL 77 N 2.46 4.66 0.00 -1.59 1.01 -0.93 0.11 120.40 126.13 1bve s VAL 77 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1bve s VAL 77 Cb -0.17 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1bve s VAL 77 CO 0.12 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.07 1bve n GLY 78 N 4.98 2.86 1.68 4.51 0.00 -0.74 0.12 105.19 118.59 1bve n GLY 78 Ca -0.15 -1.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 1.35 -3.25 1.61 -0.04 -1.22 0.46 135.00 133.90 1bve n PRO 79 Ca 0.00 -0.37 -0.39 0.00 -0.04 0.00 0.00 63.50 62.70 1bve n PRO 79 Cb 0.00 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.24 4.76 -1.20 0.52 -1.32 -1.26 -4.95 115.64 112.43 1bve s THR 80 Ca 0.22 1.24 0.00 0.00 -1.21 0.00 0.00 61.69 61.94 1bve s THR 80 Cb 0.11 -3.91 0.00 0.00 -1.51 0.00 0.00 72.50 67.19 1bve s THR 80 CO -0.00 0.53 0.59 -0.81 -2.21 0.00 0.00 174.62 172.72 1bve n PRO 81 N 1.91 0.98 -3.71 7.08 -0.04 -1.26 -3.66 135.00 136.29 1bve n PRO 81 Ca -0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.29 1bve n PRO 81 Cb 0.51 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.20 0.00 -0.76 0.52 1.01 -1.26 -4.99 120.40 113.72 1bve s VAL 82 Ca 0.00 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1bve s VAL 82 Cb 0.00 -1.70 0.17 0.00 0.00 0.00 0.00 36.38 34.85 1bve s VAL 82 CO 0.00 0.00 0.79 0.20 0.00 0.00 0.00 175.10 176.09 1bve s ASN 83 N -2.85 6.54 -0.05 3.32 0.01 -1.25 -2.29 114.94 118.37 1bve s ASN 83 Ca 0.09 -2.18 -0.30 0.00 -0.71 0.00 0.00 52.86 49.76 1bve s ASN 83 Cb -0.04 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.33 1bve s ASN 83 CO 0.00 -0.82 1.06 -0.63 -1.51 0.00 0.00 177.10 175.20 1bve s ILE 84 N 1.38 4.62 -0.72 0.60 -1.09 0.11 -1.33 121.20 124.78 1bve s ILE 84 Ca 0.17 1.89 -0.07 0.00 -2.23 0.00 0.00 60.65 60.41 1bve s ILE 84 Cb -0.15 -4.21 0.19 0.00 -1.58 0.00 0.00 42.46 36.71 1bve s ILE 84 CO -0.04 0.06 0.58 -0.63 -1.23 0.00 0.00 174.94 173.68 1bve s ILE 85 N 1.65 4.50 0.00 2.92 1.09 -1.14 -0.19 121.20 130.02 1bve s ILE 85 Ca 0.52 -2.80 0.00 0.00 -1.10 0.00 0.00 60.65 57.27 1bve s ILE 85 Cb -0.22 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.33 1bve s ILE 85 CO 0.23 -0.95 0.00 0.61 -0.10 0.00 0.00 174.94 174.73 1bve n GLY 86 N 3.64 -1.05 0.23 6.18 0.00 0.18 -0.20 105.19 114.16 1bve n GLY 86 Ca 0.11 -1.63 0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 0.12 -0.69 1.61 3.08 -1.44 -2.22 114.38 114.84 1bve h ARG 87 Ca 0.00 -0.03 0.20 0.00 0.07 0.00 0.00 59.98 60.22 1bve h ARG 87 Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1bve h ARG 87 CO 0.00 0.30 0.72 -2.95 -1.07 0.00 0.00 179.97 176.97 1bve h ASN 88 N 0.12 0.00 0.00 7.04 -1.07 -1.39 0.38 115.58 120.65 1bve h ASN 88 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.36 1bve h ASN 88 Cb 0.39 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.63 1bve h ASN 88 CO 0.03 0.00 -1.69 0.18 0.07 0.00 0.00 177.43 176.01 1bve n LEU 89 N -3.62 0.00 0.00 6.14 7.99 -0.87 -4.14 117.00 122.50 1bve n LEU 89 Ca 0.14 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.24 1bve n LEU 89 Cb 0.96 0.04 0.51 0.00 -0.11 0.00 0.00 43.42 44.82 1bve n LEU 89 CO 0.28 0.04 0.79 0.18 -1.51 0.00 0.00 177.39 177.17 1bve n LEU 90 N -2.06 0.00 -0.01 2.23 4.77 0.12 -1.52 117.00 120.54 1bve n LEU 90 Ca -0.05 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1bve n LEU 90 Cb 0.44 -0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 41.17 1bve n LEU 90 CO 0.30 -0.08 -0.64 0.35 -1.33 0.00 0.00 177.39 175.99 1bve n THR 91 N -1.20 0.00 0.09 -5.08 -2.24 -0.42 -0.96 114.28 104.46 1bve n THR 91 Ca 0.11 -0.41 -0.23 0.00 -2.27 0.00 0.00 64.05 61.24 1bve n THR 91 Cb 0.13 0.17 -0.15 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.42 -0.18 -0.78 1.08 -1.44 -3.27 115.11 110.94 1bve h GLN 92 Ca 0.00 -0.72 0.00 0.00 -1.45 0.00 0.00 58.65 56.48 1bve h GLN 92 Cb 0.90 0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1bve h GLN 92 CO 0.00 1.35 0.00 0.44 -0.95 0.00 0.00 178.83 179.67 1bve n ILE 93 N -3.73 0.24 -3.52 2.54 -5.35 -0.98 -4.92 119.36 103.64 1bve n ILE 93 Ca -0.21 -0.34 -0.19 0.00 -0.27 0.00 0.00 62.75 61.73 1bve n ILE 93 Cb 1.04 0.31 0.08 0.00 -1.74 0.00 0.00 39.64 39.33 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 1.09 -0.39 3.78 3.28 0.00 -1.22 -4.93 105.19 106.80 1bve n GLY 94 Ca 0.15 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.39 2.52 -0.12 4.61 0.00 -0.14 -5.02 121.76 120.23 1bve s ALA 95 Ca 0.14 0.51 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 1bve s ALA 95 Cb -0.06 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.81 1bve s ALA 95 CO 0.74 -1.19 0.25 0.95 0.00 0.00 0.00 175.76 176.52 1bve s THR 96 N -2.38 -0.18 -1.01 0.00 -4.23 -1.26 -4.92 115.64 101.66 1bve s THR 96 Ca 0.66 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 61.22 1bve s THR 96 Cb -0.19 -0.41 0.18 0.00 1.34 0.00 0.00 72.50 73.42 1bve s THR 96 CO 0.41 0.08 1.12 -0.76 -0.54 0.00 0.00 174.62 174.94 1bve s LEU 97 N 1.72 5.63 -0.19 4.79 1.02 -1.26 -5.00 118.68 125.38 1bve s LEU 97 Ca -0.05 -2.67 -0.19 0.00 0.02 0.00 0.00 54.13 51.25 1bve s LEU 97 Cb -0.11 -2.33 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 1bve s LEU 97 CO -0.09 -0.76 0.53 0.20 0.02 0.00 0.00 176.35 176.26 1bve s ASN 98 N 2.75 6.58 0.00 2.29 0.02 -1.26 -5.31 114.94 120.02 1bve s ASN 98 Ca 0.32 0.70 0.00 0.00 -1.02 0.00 0.00 52.86 52.86 1bve s ASN 98 Cb -0.06 -2.30 0.00 0.00 0.02 0.00 0.00 41.25 38.91 1bve s ASN 98 CO -0.07 -0.18 0.05 2.22 0.02 0.00 0.00 177.10 179.15