#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 4.49 -0.04 -0.52 0.74 -1.26 -5.05 119.66 118.01 1bve s GLN 2 Ca 0.00 1.12 -0.01 0.00 0.05 0.00 0.00 55.36 56.52 1bve s GLN 2 Cb 0.00 -3.04 0.03 0.00 1.10 0.00 0.00 33.01 31.11 1bve s GLN 2 CO 0.00 0.45 0.08 0.08 -0.55 0.00 0.00 175.29 175.35 1bve s VAL 3 N -1.37 -0.07 0.16 1.34 1.01 -1.26 -5.01 120.40 115.20 1bve s VAL 3 Ca 0.41 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1bve s VAL 3 Cb -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1bve s VAL 3 CO 0.24 0.09 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1bve n THR 4 N 4.34 0.34 -2.14 3.92 -2.24 -1.26 -4.98 114.28 112.25 1bve n THR 4 Ca -0.25 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1bve n THR 4 Cb 0.51 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.28 0.00 -1.70 3.22 4.77 -1.26 -2.97 117.00 115.78 1bve n LEU 5 Ca 0.00 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1bve n LEU 5 Cb 0.05 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1bve n LEU 5 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.39 176.85 1bve n TRP 6 N -2.12 0.00 0.00 -1.77 7.02 -1.26 -4.33 117.44 114.98 1bve n TRP 6 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1bve n TRP 6 Cb 0.39 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.63 0.00 -4.67 -0.99 1.13 -1.16 -5.14 117.38 105.93 1bve n GLN 7 Ca 0.00 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.73 1bve n GLN 7 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.22 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1bve s ARG 8 N 2.15 3.16 -0.73 -1.09 0.52 -1.26 -5.01 118.95 116.69 1bve s ARG 8 Ca 0.00 -0.61 -0.07 0.00 -0.52 0.00 0.00 55.73 54.52 1bve s ARG 8 Cb 0.00 -2.65 -0.16 0.00 0.52 0.00 0.00 34.95 32.66 1bve s ARG 8 CO 0.00 0.40 3.26 -0.35 0.02 0.00 0.00 175.30 178.63 1bve n PRO 9 N 3.01 2.82 -2.84 3.54 -0.04 -1.26 -4.94 135.00 135.30 1bve n PRO 9 Ca -0.18 -1.68 -0.35 0.00 -0.04 0.00 0.00 63.50 61.26 1bve n PRO 9 Cb 0.53 -2.35 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 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 -0.18 4.18 -0.01 1.53 1.43 -1.26 -2.83 118.68 121.54 1bve s LEU 10 Ca 0.67 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 55.50 1bve s LEU 10 Cb 0.26 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 42.31 1bve s LEU 10 CO -0.04 -0.18 -0.01 0.68 0.23 0.00 0.00 176.35 177.03 1bve s VAL 11 N -1.84 0.18 -0.13 -1.59 -7.23 -0.96 -4.91 120.40 103.92 1bve s VAL 11 Ca 0.54 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.40 1bve s VAL 11 Cb -0.14 -0.20 -0.06 0.00 0.56 0.00 0.00 36.38 36.53 1bve s VAL 11 CO 0.19 0.09 2.12 -0.89 -0.31 0.00 0.00 175.10 176.30 1bve s THR 12 N 0.35 3.02 -0.11 5.32 2.01 -1.26 -2.55 115.64 122.42 1bve s THR 12 Ca -0.03 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1bve s THR 12 Cb -0.06 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1bve s THR 12 CO -0.01 -0.01 0.01 0.27 -0.69 0.00 0.00 174.62 174.19 1bve s ILE 13 N 6.91 4.41 -0.38 1.82 -5.25 -1.01 -3.69 121.20 124.01 1bve s ILE 13 Ca 0.96 -0.20 -0.06 0.00 -0.99 0.00 0.00 60.65 60.36 1bve s ILE 13 Cb -0.36 -2.89 0.08 0.00 2.95 0.00 0.00 42.46 42.23 1bve s ILE 13 CO 0.37 0.57 0.17 -0.75 -1.79 0.00 0.00 174.94 173.51 1bve s LYS 14 N -0.53 2.40 -0.17 0.37 2.20 -0.96 -2.87 119.74 120.18 1bve s LYS 14 Ca 0.09 -1.49 0.01 0.00 -0.36 0.00 0.00 55.97 54.22 1bve s LYS 14 Cb -0.12 -3.56 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1bve s LYS 14 CO 0.02 -0.88 -0.18 0.42 -0.36 0.00 0.00 175.35 174.37 1bve s ILE 15 N 1.31 2.32 -0.12 5.43 1.01 -1.05 -1.78 121.20 128.32 1bve s ILE 15 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1bve s ILE 15 Cb -0.22 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.28 1bve s ILE 15 CO -0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1bve n GLY 16 N 4.43 0.30 0.13 6.18 0.00 -1.26 -1.54 105.19 113.42 1bve n GLY 16 Ca -0.20 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.68 0.24 3.98 -0.02 0.00 -1.26 -5.06 105.19 102.39 1bve n GLY 17 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.96 1.42 -0.16 1.61 -1.52 -0.59 -5.07 119.66 114.38 1bve s GLN 18 Ca 0.00 -1.01 -0.09 0.00 -1.95 0.00 0.00 55.36 52.31 1bve s GLN 18 Cb 0.00 -2.23 0.06 0.00 -0.22 0.00 0.00 33.01 30.62 1bve s GLN 18 CO 0.00 -1.68 0.39 -0.51 -0.25 0.00 0.00 175.29 173.24 1bve s LEU 19 N -5.31 -0.06 0.07 2.90 1.43 -1.26 -2.51 118.68 113.93 1bve s LEU 19 Ca 0.68 0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.51 1bve s LEU 19 Cb -0.05 1.29 0.02 0.00 0.03 0.00 0.00 46.19 47.48 1bve s LEU 19 CO 0.46 -0.19 0.32 -0.54 0.23 0.00 0.00 176.35 176.63 1bve s LYS 20 N 1.43 0.89 0.05 1.70 3.01 -1.14 -5.00 119.74 120.69 1bve s LYS 20 Ca -0.09 -0.62 -0.30 0.00 -1.01 0.00 0.00 55.97 53.95 1bve s LYS 20 Cb -0.09 0.38 -0.05 0.00 -1.01 0.00 0.00 37.83 37.07 1bve s LYS 20 CO -0.12 -0.30 1.05 -1.21 0.51 0.00 0.00 175.35 175.27 1bve s GLU 21 N -3.07 4.55 0.05 1.68 2.02 -1.26 -2.41 118.70 120.26 1bve s GLU 21 Ca -0.01 1.55 0.03 0.00 0.02 0.00 0.00 54.97 56.56 1bve s GLU 21 Cb 0.01 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1bve s GLU 21 CO -0.07 -0.05 0.02 0.00 0.02 0.00 0.00 175.26 175.18 1bve s ALA 22 N 0.73 3.35 -0.67 5.21 0.00 -1.06 -4.54 121.76 124.78 1bve s ALA 22 Ca 0.53 -1.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.30 1bve s ALA 22 Cb -0.25 -1.30 0.16 0.00 0.00 0.00 0.00 23.12 21.73 1bve s ALA 22 CO 0.29 0.69 0.65 -1.17 0.00 0.00 0.00 175.76 176.23 1bve s LEU 23 N -2.05 6.26 -0.35 0.00 2.96 -1.09 -2.27 118.68 122.15 1bve s LEU 23 Ca 0.24 -2.10 -0.40 0.00 -0.22 0.00 0.00 54.13 51.66 1bve s LEU 23 Cb -0.12 -2.23 -0.15 0.00 0.50 0.00 0.00 46.19 44.19 1bve s LEU 23 CO 0.16 -0.79 1.92 0.18 -1.32 0.00 0.00 176.35 176.50 1bve n LEU 24 N 4.96 2.01 -3.79 -0.68 7.99 -1.13 -2.73 117.00 123.63 1bve n LEU 24 Ca -0.01 0.84 -0.29 0.00 -0.01 0.00 0.00 56.01 56.54 1bve n LEU 24 Cb 0.43 -1.12 -0.16 0.00 -0.11 0.00 0.00 43.42 42.46 1bve n LEU 24 CO 0.47 -0.58 -0.37 -0.62 -1.51 0.00 0.00 177.39 174.77 1bve s ASP 25 N 4.96 3.36 0.00 -1.43 2.15 -0.87 -4.79 116.67 120.05 1bve s ASP 25 Ca 1.05 -1.06 0.31 0.00 0.43 0.00 0.00 52.55 53.28 1bve s ASP 25 Cb -1.10 -0.80 1.73 0.00 -0.30 0.00 0.00 42.92 42.46 1bve s ASP 25 CO 0.62 -0.31 2.15 0.35 -0.17 0.00 0.00 175.17 177.81 1bve n THR 26 N 4.91 0.00 0.19 1.71 -2.24 -1.26 -3.00 114.28 114.59 1bve n THR 26 Ca -0.08 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1bve n THR 26 Cb 0.45 -0.50 0.11 0.00 -2.10 0.00 0.00 70.33 68.29 1bve n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1bve h GLY 27 N 4.99 0.00 -2.86 3.38 0.00 -1.92 -3.46 103.07 103.21 1bve h GLY 27 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1bve h GLY 27 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 1bve s ALA 28 N -3.14 3.93 -0.18 3.60 0.00 -1.16 -5.02 121.76 119.80 1bve s ALA 28 Ca 0.05 -1.19 0.22 0.00 0.00 0.00 0.00 51.96 51.05 1bve s ALA 28 Cb 0.06 -1.86 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 1bve s ALA 28 CO 0.70 0.04 0.88 -0.25 0.00 0.00 0.00 175.76 177.13 1bve n ASP 29 N -1.64 0.61 -0.95 0.00 8.00 -1.26 -2.99 116.55 118.33 1bve n ASP 29 Ca -0.05 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.69 1bve n ASP 29 Cb 0.57 0.88 0.00 0.00 -0.02 0.00 0.00 41.12 42.55 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1bve n ASP 30 N -2.56 0.08 -4.35 -2.24 9.92 -1.26 -2.47 116.55 113.67 1bve n ASP 30 Ca -0.01 -0.91 -0.42 0.00 -0.53 0.00 0.00 54.79 52.92 1bve n ASP 30 Cb 0.56 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.94 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 -1.86 4.70 -0.21 -3.53 2.01 -1.17 -0.31 115.64 115.27 1bve s THR 31 Ca 0.00 -1.07 -0.12 0.00 0.31 0.00 0.00 61.69 60.81 1bve s THR 31 Cb 0.00 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1bve s THR 31 CO 0.00 -0.42 0.24 0.54 -0.69 0.00 0.00 174.62 174.29 1bve s VAL 32 N 1.55 5.31 -0.14 3.82 0.11 -0.64 0.22 120.40 130.63 1bve s VAL 32 Ca 0.03 0.38 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 1bve s VAL 32 Cb -0.22 -3.58 0.01 0.00 -1.53 0.00 0.00 36.38 31.06 1bve s VAL 32 CO 0.06 0.33 -0.21 -0.76 -3.33 0.00 0.00 175.10 171.19 1bve s LEU 33 N 0.99 2.04 1.00 2.54 1.02 0.02 0.16 118.68 126.45 1bve s LEU 33 Ca 0.12 -0.58 -0.19 0.00 0.02 0.00 0.00 54.13 53.50 1bve s LEU 33 Cb -0.14 -1.39 -0.10 0.00 0.02 0.00 0.00 46.19 44.59 1bve s LEU 33 CO 0.05 0.07 -0.66 -1.84 0.02 0.00 0.00 176.35 173.98 1bve n GLU 34 N 4.12 -0.24 -1.49 1.70 0.28 -1.13 -2.85 120.64 121.03 1bve n GLU 34 Ca -0.20 -0.06 -0.48 0.00 -0.16 0.00 0.00 57.16 56.26 1bve n GLU 34 Cb 0.51 -1.25 -0.03 0.00 1.43 0.00 0.00 31.44 32.10 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bve n GLU 35 N 1.17 0.58 -0.53 3.44 0.00 0.11 -4.42 120.64 120.99 1bve n GLU 35 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.16 57.36 1bve n GLU 35 Cb 0.61 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.60 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bve n MET 36 N 1.13 0.00 -3.58 5.31 0.00 -1.26 -4.97 117.12 113.75 1bve n MET 36 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.47 1bve n MET 36 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.41 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 0.60 6.08 0.34 3.17 0.15 -1.26 -5.05 113.70 117.73 1bve s SER 37 Ca 0.00 -3.34 0.08 0.00 0.70 0.00 0.00 55.95 53.39 1bve s SER 37 Cb 0.00 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.30 1bve s SER 37 CO 0.00 -0.30 0.23 -0.76 1.20 0.00 0.00 173.24 173.61 1bve s LEU 38 N -0.80 3.43 0.00 3.45 1.43 -1.26 -4.95 118.68 119.98 1bve s LEU 38 Ca 0.24 -0.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1bve s LEU 38 Cb -0.11 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1bve s LEU 38 CO -0.09 -0.34 0.00 -0.81 0.23 0.00 0.00 176.35 175.34 1bve n PRO 39 N -1.28 -0.22 -1.21 1.29 -0.04 -1.26 -4.95 135.00 127.33 1bve n PRO 39 Ca -0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 1bve n PRO 39 Cb 0.61 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.22 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 3.36 5.05 2.72 0.55 0.00 -1.26 -4.61 105.19 111.01 1bve n GLY 40 Ca 0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.06 3.56 -1.75 1.61 1.74 -1.26 -5.00 116.66 114.49 1bve n ARG 41 Ca 0.53 -4.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.24 1bve n ARG 41 Cb 1.24 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 -0.37 0.00 -3.73 -1.55 4.27 -1.25 -4.51 117.44 110.30 1bve n TRP 42 Ca 0.42 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.91 1bve n TRP 42 Cb 0.42 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.25 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 -1.63 0.24 0.29 -2.67 1.02 0.27 -4.83 119.74 112.43 1bve s LYS 43 Ca 0.00 0.54 -0.28 0.00 0.02 0.00 0.00 55.97 56.25 1bve s LYS 43 Cb 0.00 -0.08 -0.09 0.00 -0.52 0.00 0.00 37.83 37.13 1bve s LYS 43 CO 0.00 -0.15 1.04 -1.25 -0.92 0.00 0.00 175.35 174.07 1bve s PRO 44 N 1.16 4.62 0.34 -1.68 0.04 -1.26 0.13 135.00 138.34 1bve s PRO 44 Ca -0.08 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 1bve s PRO 44 Cb -0.09 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.38 1bve s PRO 44 CO -0.08 0.24 0.57 -1.59 0.04 0.00 0.00 177.00 176.18 1bve s LYS 45 N -1.59 1.95 -0.09 4.56 -2.85 -0.72 -4.92 119.74 116.09 1bve s LYS 45 Ca 0.46 -1.57 0.01 0.00 -1.00 0.00 0.00 55.97 53.87 1bve s LYS 45 Cb -0.28 0.51 0.02 0.00 -2.06 0.00 0.00 37.83 36.01 1bve s LYS 45 CO 0.36 -0.85 -0.09 1.41 0.10 0.00 0.00 175.35 176.28 1bve s MET 46 N -3.00 1.53 0.12 1.78 1.75 -1.26 -1.41 119.30 118.81 1bve s MET 46 Ca 0.24 -0.30 -0.04 0.00 -1.25 0.00 0.00 55.69 54.34 1bve s MET 46 Cb -0.02 -1.45 -0.05 0.00 2.84 0.00 0.00 34.83 36.15 1bve s MET 46 CO 0.16 -0.14 0.34 0.96 -0.65 0.00 0.00 175.02 175.69 1bve s ILE 47 N 1.23 5.21 -0.26 10.11 -4.36 -0.56 -4.88 121.20 127.69 1bve s ILE 47 Ca -0.04 -0.05 0.02 0.00 -0.26 0.00 0.00 60.65 60.32 1bve s ILE 47 Cb -0.14 -3.62 0.06 0.00 1.25 0.00 0.00 42.46 40.01 1bve s ILE 47 CO -0.03 0.06 -0.07 -0.83 0.24 0.00 0.00 174.94 174.32 1bve s GLY 48 N -2.43 1.53 0.00 6.27 0.00 -1.26 -1.61 107.32 109.81 1bve s GLY 48 Ca 0.40 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1bve s GLY 48 CO 0.25 0.79 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1bve n GLY 49 N 4.52 3.91 3.71 0.20 0.00 -1.02 -4.99 105.19 111.52 1bve n GLY 49 Ca -0.11 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 3.40 5.00 0.00 -0.61 1.01 -1.26 -4.14 121.20 124.60 1bve s ILE 50 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1bve s ILE 50 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1bve s ILE 50 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1bve n GLY 51 N 3.16 2.42 0.00 6.18 0.00 -1.26 -4.89 105.19 110.80 1bve n GLY 51 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.58 3.57 -0.02 0.00 -1.26 -5.14 105.19 101.75 1bve n GLY 52 Ca 0.00 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.22 2.83 0.14 1.61 0.40 -1.26 -2.42 117.98 116.06 1bve s PHE 53 Ca 0.00 -0.07 0.11 0.00 -0.60 0.00 0.00 56.93 56.36 1bve s PHE 53 Cb 0.00 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.89 1bve s PHE 53 CO 0.00 0.34 -0.24 0.96 0.70 0.00 0.00 175.22 176.97 1bve s ILE 54 N -0.95 2.41 -0.28 0.64 -4.36 -0.64 -4.89 121.20 113.14 1bve s ILE 54 Ca 0.16 -1.75 -0.20 0.00 -0.26 0.00 0.00 60.65 58.60 1bve s ILE 54 Cb -0.11 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.49 1bve s ILE 54 CO 0.06 0.05 0.62 -0.54 0.24 0.00 0.00 174.94 175.38 1bve s LYS 55 N -2.19 3.99 0.00 0.37 1.02 -1.26 -1.50 119.74 120.17 1bve s LYS 55 Ca 0.16 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1bve s LYS 55 Cb -0.10 -3.69 0.00 0.00 -0.52 0.00 0.00 37.83 33.52 1bve s LYS 55 CO 0.08 -0.50 0.00 1.33 -0.92 0.00 0.00 175.35 175.34 1bve n VAL 56 N 5.30 0.00 -4.56 3.17 0.24 -0.50 -3.67 118.33 118.32 1bve n VAL 56 Ca -0.01 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.03 1bve n VAL 56 Cb 0.49 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.25 1.88 -0.09 7.34 0.52 -0.18 -1.76 118.95 125.42 1bve s ARG 57 Ca 0.00 -2.11 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 1bve s ARG 57 Cb 0.00 -1.05 0.02 0.00 0.52 0.00 0.00 34.95 34.44 1bve s ARG 57 CO 0.00 -0.28 -0.07 -1.14 0.02 0.00 0.00 175.30 173.83 1bve s GLN 58 N -3.81 1.36 -0.49 3.54 0.74 0.34 -2.82 119.66 118.52 1bve s GLN 58 Ca 0.27 -0.23 0.04 0.00 0.05 0.00 0.00 55.36 55.49 1bve s GLN 58 Cb 0.06 -1.36 0.13 0.00 1.10 0.00 0.00 33.01 32.94 1bve s GLN 58 CO 0.13 -0.17 0.23 0.71 -0.55 0.00 0.00 175.29 175.64 1bve s TYR 59 N 1.36 3.11 0.09 1.67 2.02 -0.54 -0.56 117.35 124.49 1bve s TYR 59 Ca -0.02 -3.06 -0.30 0.00 -0.37 0.00 0.00 57.07 53.31 1bve s TYR 59 Cb -0.14 -2.72 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 1bve s TYR 59 CO -0.04 -0.77 1.00 -0.51 -1.57 0.00 0.00 175.55 173.66 1bve s ASP 60 N -0.06 7.40 0.00 2.29 1.11 -1.26 -2.29 116.67 123.86 1bve s ASP 60 Ca 0.16 1.82 0.00 0.00 0.18 0.00 0.00 52.55 54.71 1bve s ASP 60 Cb -0.25 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.16 1bve s ASP 60 CO -0.01 -0.17 0.00 0.00 1.18 0.00 0.00 175.17 176.17 1bve n GLN 61 N 3.10 0.00 -3.93 8.23 6.02 -1.07 -4.96 117.38 124.77 1bve n GLN 61 Ca 0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.68 1bve n GLN 61 Cb 0.49 -1.42 -0.14 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.80 3.02 -0.99 5.09 -1.09 -0.24 -4.79 121.20 119.41 1bve s ILE 62 Ca 0.00 -1.06 -0.24 0.00 -2.23 0.00 0.00 60.65 57.12 1bve s ILE 62 Cb 0.00 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.24 1bve s ILE 62 CO 0.00 0.12 1.92 -0.22 -1.23 0.00 0.00 174.94 175.53 1bve s LEU 63 N 1.33 3.16 -0.19 2.97 0.20 -1.26 -1.25 118.68 123.63 1bve s LEU 63 Ca -0.01 -1.00 -0.21 0.00 0.69 0.00 0.00 54.13 53.60 1bve s LEU 63 Cb -0.17 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.99 1bve s LEU 63 CO -0.03 -2.77 0.66 -0.51 -0.29 0.00 0.00 176.35 173.41 1bve s ILE 64 N 10.08 5.00 -0.52 6.68 2.07 0.70 -4.40 121.20 140.81 1bve s ILE 64 Ca 0.69 1.25 -0.22 0.00 -1.41 0.00 0.00 60.65 60.95 1bve s ILE 64 Cb -0.05 -3.97 0.05 0.00 0.13 0.00 0.00 42.46 38.62 1bve s ILE 64 CO 0.03 0.10 0.81 -0.70 -1.91 0.00 0.00 174.94 173.27 1bve s GLU 65 N 1.91 3.26 -0.22 3.50 -6.30 -0.73 -2.20 118.70 117.91 1bve s GLU 65 Ca 0.30 -0.47 -0.07 0.00 -2.50 0.00 0.00 54.97 52.23 1bve s GLU 65 Cb -0.16 -4.06 -0.03 0.00 0.00 0.00 0.00 34.13 29.89 1bve s GLU 65 CO 0.11 -1.34 0.05 0.42 0.02 0.00 0.00 175.26 174.52 1bve s ILE 66 N 3.39 4.34 -0.82 -3.70 1.09 -0.43 -2.27 121.20 122.79 1bve s ILE 66 Ca 0.25 -0.17 -0.02 0.00 -1.10 0.00 0.00 60.65 59.60 1bve s ILE 66 Cb -0.15 -3.00 -0.00 0.00 -1.06 0.00 0.00 42.46 38.25 1bve s ILE 66 CO 0.17 0.38 0.66 0.00 -0.10 0.00 0.00 174.94 176.05 1bve n GLY 68 N -1.71 -0.29 3.16 0.00 0.00 -1.26 -4.88 105.19 100.21 1bve n GLY 68 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.89 2.17 0.12 1.61 4.02 -0.01 -5.10 115.29 116.21 1bve s HIS 69 Ca 0.00 -0.84 -0.30 0.00 1.02 0.00 0.00 55.06 54.94 1bve s HIS 69 Cb 0.00 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.58 30.02 1bve s HIS 69 CO 0.00 -0.35 1.14 0.21 1.02 0.00 0.00 174.74 176.76 1bve s LYS 70 N 0.38 4.52 -0.27 1.40 2.20 -1.26 -1.32 119.74 125.39 1bve s LYS 70 Ca -0.16 1.73 -0.01 0.00 -0.36 0.00 0.00 55.97 57.18 1bve s LYS 70 Cb -0.17 -3.31 0.16 0.00 -1.51 0.00 0.00 37.83 33.00 1bve s LYS 70 CO 0.07 -0.07 0.46 0.00 -0.36 0.00 0.00 175.35 175.44 1bve s ALA 71 N 0.34 -1.53 0.37 3.13 0.00 -0.94 -4.92 121.76 118.23 1bve s ALA 71 Ca 0.53 1.12 -0.13 0.00 0.00 0.00 0.00 51.96 53.48 1bve s ALA 71 Cb -0.29 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 1bve s ALA 71 CO 0.33 -1.37 0.77 0.42 0.00 0.00 0.00 175.76 175.91 1bve s ILE 72 N 2.66 4.71 0.01 0.00 -1.09 -1.26 -0.21 121.20 126.01 1bve s ILE 72 Ca 0.15 0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 59.16 1bve s ILE 72 Cb -0.15 -3.67 0.08 0.00 -1.58 0.00 0.00 42.46 37.14 1bve s ILE 72 CO -0.20 -0.37 1.04 0.61 -1.23 0.00 0.00 174.94 174.80 1bve n GLY 73 N -0.87 0.34 3.47 6.18 0.00 -0.38 -4.81 105.19 109.12 1bve n GLY 73 Ca 0.03 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 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 4.80 0.60 2.61 2.01 -1.26 -1.07 115.64 121.27 1bve s THR 74 Ca 0.24 -0.27 0.06 0.00 0.31 0.00 0.00 61.69 62.03 1bve s THR 74 Cb -0.01 -4.32 0.09 0.00 0.01 0.00 0.00 72.50 68.27 1bve s THR 74 CO 0.00 -0.81 0.83 -0.69 -0.69 0.00 0.00 174.62 173.26 1bve s VAL 75 N 2.86 2.28 0.08 3.82 1.01 -0.97 -3.03 120.40 126.45 1bve s VAL 75 Ca 0.19 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1bve s VAL 75 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1bve s VAL 75 CO 0.14 0.00 -0.01 -0.76 0.00 0.00 0.00 175.10 174.47 1bve s LEU 76 N -4.78 2.30 -0.24 3.92 1.02 0.13 -1.47 118.68 119.56 1bve s LEU 76 Ca 0.62 -1.06 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 1bve s LEU 76 Cb -0.06 0.19 0.10 0.00 0.02 0.00 0.00 46.19 46.43 1bve s LEU 76 CO 0.40 -0.62 0.19 -0.69 0.02 0.00 0.00 176.35 175.65 1bve s VAL 77 N -3.91 -0.24 0.00 -1.59 1.01 -1.13 -0.80 120.40 113.74 1bve s VAL 77 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1bve s VAL 77 Cb 0.08 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1bve s VAL 77 CO -0.06 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.25 1bve n GLY 78 N 5.29 3.86 1.52 4.51 0.00 -1.13 -1.01 105.19 118.23 1bve n GLY 78 Ca -0.05 -1.16 -0.01 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 1.04 -3.01 1.61 -0.04 -1.24 0.06 135.00 133.41 1bve n PRO 79 Ca 0.00 -0.07 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 1bve n PRO 79 Cb 0.00 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.05 4.87 -1.25 0.52 -1.32 -1.26 -4.92 115.64 112.23 1bve s THR 80 Ca 0.02 1.54 0.00 0.00 -1.21 0.00 0.00 61.69 62.05 1bve s THR 80 Cb 0.01 -4.08 0.00 0.00 -1.51 0.00 0.00 72.50 66.92 1bve s THR 80 CO -0.00 0.32 0.56 -0.81 -2.21 0.00 0.00 174.62 172.48 1bve n PRO 81 N 3.20 0.90 -3.53 7.08 -0.04 -1.26 -3.78 135.00 137.56 1bve n PRO 81 Ca -0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.34 1bve n PRO 81 Cb 0.51 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 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 -1.25 0.00 0.20 0.52 1.01 -1.26 -5.01 120.40 114.61 1bve s VAL 82 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1bve s VAL 82 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1bve s VAL 82 CO 0.00 0.00 0.38 0.20 0.00 0.00 0.00 175.10 175.68 1bve s ASN 83 N -2.73 6.39 -0.07 3.32 0.01 -1.26 -2.83 114.94 117.77 1bve s ASN 83 Ca 0.04 0.40 -0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1bve s ASN 83 Cb -0.02 -2.01 0.03 0.00 0.41 0.00 0.00 41.25 39.67 1bve s ASN 83 CO -0.08 -0.03 0.16 -0.63 -1.51 0.00 0.00 177.10 175.01 1bve s ILE 84 N -1.85 -0.03 -0.78 0.60 -1.09 0.42 -2.67 121.20 115.80 1bve s ILE 84 Ca 0.38 0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 1bve s ILE 84 Cb -0.11 -0.25 0.20 0.00 -1.58 0.00 0.00 42.46 40.72 1bve s ILE 84 CO 0.29 0.04 0.67 -0.63 -1.23 0.00 0.00 174.94 174.08 1bve s ILE 85 N 0.73 4.88 0.00 2.92 1.09 -1.10 -1.62 121.20 128.09 1bve s ILE 85 Ca -0.05 -2.80 0.00 0.00 -1.10 0.00 0.00 60.65 56.70 1bve s ILE 85 Cb -0.07 -4.05 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 1bve s ILE 85 CO -0.04 -0.99 0.00 0.61 -0.10 0.00 0.00 174.94 174.42 1bve n GLY 86 N 3.61 -1.24 0.31 6.18 0.00 0.58 -2.04 105.19 112.59 1bve n GLY 86 Ca 0.13 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.56 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 0.71 -0.75 1.61 3.08 -1.50 -0.75 114.38 116.78 1bve h ARG 87 Ca 0.00 -0.09 0.22 0.00 0.07 0.00 0.00 59.98 60.18 1bve h ARG 87 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1bve h ARG 87 CO 0.00 0.56 0.91 -2.95 -1.07 0.00 0.00 179.97 177.42 1bve h ASN 88 N 0.71 0.00 0.00 7.04 -1.07 -1.77 0.41 115.58 120.90 1bve h ASN 88 Ca 0.18 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.43 1bve h ASN 88 Cb 0.10 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.33 1bve h ASN 88 CO -0.02 0.00 -1.48 0.18 0.07 0.00 0.00 177.43 176.18 1bve n LEU 89 N -3.38 0.00 0.00 6.14 7.99 -0.57 -4.36 117.00 122.82 1bve n LEU 89 Ca 0.16 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.22 1bve n LEU 89 Cb 1.15 0.16 0.29 0.00 -0.11 0.00 0.00 43.42 44.92 1bve n LEU 89 CO 0.24 0.16 0.67 0.18 -1.51 0.00 0.00 177.39 177.13 1bve n LEU 90 N -2.22 0.00 -0.01 2.23 4.77 0.03 -1.46 117.00 120.33 1bve n LEU 90 Ca -0.11 0.36 0.10 0.00 -0.03 0.00 0.00 56.01 56.34 1bve n LEU 90 Cb 0.69 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1bve n LEU 90 CO 0.15 -0.21 -0.72 0.35 -1.33 0.00 0.00 177.39 175.63 1bve n THR 91 N -1.36 0.00 0.12 -5.08 -2.24 -0.55 -0.03 114.28 105.13 1bve n THR 91 Ca 0.05 -0.45 -0.24 0.00 -2.27 0.00 0.00 64.05 61.14 1bve n THR 91 Cb 0.11 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.47 -0.00 -0.78 1.08 -1.45 -3.17 115.11 111.26 1bve h GLN 92 Ca 0.00 -0.80 0.00 0.00 -1.45 0.00 0.00 58.65 56.40 1bve h GLN 92 Cb 0.91 0.30 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1bve h GLN 92 CO 0.00 1.38 -0.11 0.44 -0.95 0.00 0.00 178.83 179.60 1bve n ILE 93 N -3.81 0.00 -2.42 2.54 -5.35 -0.99 -4.91 119.36 104.42 1bve n ILE 93 Ca -0.17 -0.04 -0.07 0.00 -0.27 0.00 0.00 62.75 62.20 1bve n ILE 93 Cb 1.03 -0.18 0.01 0.00 -1.74 0.00 0.00 39.64 38.77 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 1.31 0.28 3.74 3.28 0.00 -1.20 -4.80 105.19 107.80 1bve n GLY 94 Ca 0.13 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.65 2.38 -0.13 4.61 0.00 0.96 -4.99 121.76 121.93 1bve s ALA 95 Ca 0.08 0.94 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1bve s ALA 95 Cb -0.03 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.69 1bve s ALA 95 CO 0.09 -1.46 0.30 0.95 0.00 0.00 0.00 175.76 175.65 1bve s THR 96 N -1.78 -0.11 -0.80 0.00 -4.23 -1.26 -4.82 115.64 102.64 1bve s THR 96 Ca 0.76 0.15 -0.21 0.00 -1.18 0.00 0.00 61.69 61.21 1bve s THR 96 Cb -0.30 -0.47 0.09 0.00 1.34 0.00 0.00 72.50 73.17 1bve s THR 96 CO 0.39 0.06 1.08 -0.76 -0.54 0.00 0.00 174.62 174.85 1bve s LEU 97 N 1.52 4.56 -0.13 4.79 1.02 -1.26 -4.99 118.68 124.19 1bve s LEU 97 Ca -0.08 -1.45 0.00 0.00 0.02 0.00 0.00 54.13 52.62 1bve s LEU 97 Cb -0.10 -2.43 -0.01 0.00 0.02 0.00 0.00 46.19 43.67 1bve s LEU 97 CO -0.10 -1.30 -0.14 0.20 0.02 0.00 0.00 176.35 175.03 1bve s ASN 98 N 3.78 3.95 0.00 2.29 0.02 -1.26 -5.29 114.94 118.43 1bve s ASN 98 Ca 0.29 -0.34 0.00 0.00 -1.02 0.00 0.00 52.86 51.79 1bve s ASN 98 Cb -0.10 -1.60 0.00 0.00 0.02 0.00 0.00 41.25 39.57 1bve s ASN 98 CO 0.00 0.16 0.25 0.49 0.02 0.00 0.00 177.10 178.03