#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 4.44 -0.08 0.54 0.74 -1.26 -5.04 119.66 119.01 1bve s GLN 2 Ca 0.00 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.43 1bve s GLN 2 Cb 0.00 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.66 1bve s GLN 2 CO 0.00 -0.01 -0.07 0.08 -0.55 0.00 0.00 175.29 174.74 1bve s VAL 3 N 1.03 0.84 0.00 1.34 1.01 -1.26 -5.10 120.40 118.26 1bve s VAL 3 Ca 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1bve s VAL 3 Cb -0.18 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.35 1bve s VAL 3 CO 0.19 0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.96 1bve n THR 4 N 4.47 0.00 0.00 3.92 -2.24 -1.26 -5.02 114.28 114.16 1bve n THR 4 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1bve n THR 4 Cb 0.51 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.00 0.00 0.27 3.22 4.77 -1.26 -4.98 117.00 119.01 1bve n LEU 5 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1bve n LEU 5 Cb 0.00 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 41.92 1bve n LEU 5 CO 0.00 0.00 1.02 -0.50 -1.33 0.00 0.00 177.39 176.58 1bve h TRP 6 N 0.00 0.00 -3.77 -1.77 4.06 -2.06 -3.43 115.95 108.98 1bve h TRP 6 Ca 0.00 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 1bve h TRP 6 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.02 1bve h TRP 6 CO 0.00 0.00 -0.36 -0.65 -3.56 0.00 0.00 178.44 173.87 1bve s GLN 7 N -3.77 0.84 0.27 0.49 -0.21 -1.26 -5.12 119.66 110.91 1bve s GLN 7 Ca -0.01 -0.92 -0.27 0.00 0.02 0.00 0.00 55.36 54.18 1bve s GLN 7 Cb 0.10 0.35 -0.15 0.00 1.00 0.00 0.00 33.01 34.30 1bve s GLN 7 CO 0.44 -0.27 0.65 0.54 -2.12 0.00 0.00 175.29 174.53 1bve n ARG 8 N -0.02 0.51 -1.37 2.91 1.74 -1.26 -4.75 116.66 114.42 1bve n ARG 8 Ca -0.15 0.18 -0.39 0.00 -0.77 0.00 0.00 57.85 56.71 1bve n ARG 8 Cb 0.62 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1bve n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bve n PRO 9 N 0.88 3.71 -2.86 5.56 -0.04 -1.26 -4.95 135.00 136.04 1bve n PRO 9 Ca 0.14 -2.30 -0.38 0.00 -0.04 0.00 0.00 63.50 60.92 1bve n PRO 9 Cb 0.30 -2.82 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 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 0.15 4.45 0.04 1.53 1.43 -1.26 -2.05 118.68 122.97 1bve s LEU 10 Ca 0.68 1.76 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 1bve s LEU 10 Cb 0.18 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1bve s LEU 10 CO -0.06 0.05 0.00 0.68 0.23 0.00 0.00 176.35 177.24 1bve s VAL 11 N -1.43 0.16 -0.65 -1.59 -7.23 -0.77 -4.87 120.40 104.02 1bve s VAL 11 Ca 0.45 -1.35 -0.25 0.00 -1.81 0.00 0.00 61.98 59.02 1bve s VAL 11 Cb -0.21 -0.97 0.05 0.00 0.56 0.00 0.00 36.38 35.81 1bve s VAL 11 CO 0.25 -0.74 1.10 -0.89 -0.31 0.00 0.00 175.10 174.51 1bve s THR 12 N -2.83 4.09 0.29 5.32 2.01 -1.26 -1.09 115.64 122.16 1bve s THR 12 Ca -0.03 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1bve s THR 12 Cb 0.00 -4.74 -0.03 0.00 0.01 0.00 0.00 72.50 67.74 1bve s THR 12 CO -0.06 -1.51 0.47 0.27 -0.69 0.00 0.00 174.62 173.09 1bve s ILE 13 N 4.73 5.16 -0.31 1.82 -4.36 -0.26 -4.35 121.20 123.64 1bve s ILE 13 Ca 0.31 -0.56 0.03 0.00 -0.26 0.00 0.00 60.65 60.17 1bve s ILE 13 Cb -0.12 -3.83 0.08 0.00 1.25 0.00 0.00 42.46 39.85 1bve s ILE 13 CO 0.16 -0.41 -0.01 -0.75 0.24 0.00 0.00 174.94 174.17 1bve s LYS 14 N -3.99 1.72 -0.07 0.37 2.20 -0.93 -1.64 119.74 117.40 1bve s LYS 14 Ca 0.38 -1.62 0.05 0.00 -0.36 0.00 0.00 55.97 54.42 1bve s LYS 14 Cb -0.10 -3.02 -0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1bve s LYS 14 CO 0.32 -0.80 -0.23 0.42 -0.36 0.00 0.00 175.35 174.70 1bve s ILE 15 N 1.02 2.18 -1.17 5.43 1.01 -0.78 -1.21 121.20 127.68 1bve s ILE 15 Ca 0.03 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 1bve s ILE 15 Cb -0.19 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.47 1bve s ILE 15 CO -0.07 0.57 1.00 0.61 0.00 0.00 0.00 174.94 177.04 1bve n GLY 16 N 3.04 -0.35 2.48 6.18 0.00 -1.26 -1.08 105.19 114.21 1bve n GLY 16 Ca -0.18 0.12 -0.14 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 -1.55 1.32 3.83 -0.02 0.00 -1.26 -4.92 105.19 102.58 1bve n GLY 17 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1bve n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bve s GLN 18 N -3.11 2.23 -0.03 1.61 1.11 -0.24 -5.13 119.66 116.10 1bve s GLN 18 Ca 0.00 -2.19 -0.00 0.00 0.01 0.00 0.00 55.36 53.18 1bve s GLN 18 Cb 0.00 -1.84 0.03 0.00 -1.01 0.00 0.00 33.01 30.19 1bve s GLN 18 CO 0.00 -0.48 0.02 -0.51 0.01 0.00 0.00 175.29 174.33 1bve s LEU 19 N -4.08 0.83 0.00 2.90 1.43 -1.26 -1.87 118.68 116.62 1bve s LEU 19 Ca 0.21 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1bve s LEU 19 Cb -0.00 -0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 1bve s LEU 19 CO 0.13 -0.15 0.38 0.29 0.23 0.00 0.00 176.35 177.22 1bve n LYS 20 N 4.55 0.54 -2.55 1.70 4.76 -0.65 -4.98 118.16 121.54 1bve n LYS 20 Ca -0.19 -2.94 -0.26 0.00 -2.87 0.00 0.00 58.31 52.05 1bve n LYS 20 Cb 0.50 2.62 0.03 0.00 -1.84 0.00 0.00 35.03 36.33 1bve n LYS 20 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1bve s GLU 21 N -3.02 2.97 -0.17 1.97 2.02 -1.26 -1.10 118.70 120.11 1bve s GLU 21 Ca 0.33 -0.12 -0.05 0.00 0.02 0.00 0.00 54.97 55.15 1bve s GLU 21 Cb 0.00 -2.35 0.08 0.00 0.10 0.00 0.00 34.13 31.97 1bve s GLU 21 CO 0.23 -0.58 0.29 0.00 0.02 0.00 0.00 175.26 175.23 1bve s ALA 22 N -2.88 -0.67 -0.88 5.21 0.00 -0.25 -4.33 121.76 117.96 1bve s ALA 22 Ca 0.52 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 53.13 1bve s ALA 22 Cb -0.10 -1.22 0.06 0.00 0.00 0.00 0.00 23.12 21.86 1bve s ALA 22 CO 0.43 -0.85 1.31 -1.17 0.00 0.00 0.00 175.76 175.48 1bve s LEU 23 N 2.45 3.69 -0.85 0.00 2.96 0.05 -1.85 118.68 125.13 1bve s LEU 23 Ca 0.04 -1.17 -0.21 0.00 -0.22 0.00 0.00 54.13 52.57 1bve s LEU 23 Cb -0.13 -2.53 -0.21 0.00 0.50 0.00 0.00 46.19 43.82 1bve s LEU 23 CO -0.11 -1.55 2.37 0.18 -1.32 0.00 0.00 176.35 175.93 1bve n LEU 24 N 8.62 0.49 -4.18 -0.68 4.77 -0.87 -2.59 117.00 122.56 1bve n LEU 24 Ca 0.19 -0.74 -0.40 0.00 -0.03 0.00 0.00 56.01 55.03 1bve n LEU 24 Cb 0.50 -1.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.39 1bve n LEU 24 CO 0.65 -1.74 0.27 -0.62 -1.33 0.00 0.00 177.39 174.62 1bve s ASP 25 N 7.00 5.98 0.25 -1.43 2.15 -0.02 -4.79 116.67 125.82 1bve s ASP 25 Ca 1.15 -3.07 0.18 0.00 0.43 0.00 0.00 52.55 51.23 1bve s ASP 25 Cb -0.57 -1.99 0.93 0.00 -0.30 0.00 0.00 42.92 40.99 1bve s ASP 25 CO 0.35 -0.37 1.54 0.41 -0.17 0.00 0.00 175.17 176.92 1bve n THR 26 N 3.28 1.21 -0.17 1.71 -1.04 -1.25 -1.85 114.28 116.17 1bve n THR 26 Ca 0.14 0.66 -0.08 0.00 -2.04 0.00 0.00 64.05 62.72 1bve n THR 26 Cb 0.40 -1.65 0.01 0.00 -1.82 0.00 0.00 70.33 67.27 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 0.17 0.81 -0.86 3.41 0.00 -1.89 -3.40 103.07 101.31 1bve h GLY 27 Ca 0.00 -0.45 -0.44 0.00 0.00 0.00 0.00 47.33 46.44 1bve h GLY 27 CO 0.00 0.42 0.19 0.00 0.00 0.00 0.00 176.54 177.15 1bve s ALA 28 N -5.52 0.92 -0.07 3.60 0.00 -0.77 -4.95 121.76 114.98 1bve s ALA 28 Ca -0.13 -0.52 0.22 0.00 0.00 0.00 0.00 51.96 51.53 1bve s ALA 28 Cb 0.12 -3.06 -0.29 0.00 0.00 0.00 0.00 23.12 19.89 1bve s ALA 28 CO 0.78 -2.97 0.54 -0.25 0.00 0.00 0.00 175.76 173.86 1bve n ASP 29 N -4.27 0.13 -0.29 0.00 8.00 -1.26 -2.96 116.55 115.89 1bve n ASP 29 Ca 0.07 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1bve n ASP 29 Cb 0.58 1.72 0.00 0.00 -0.02 0.00 0.00 41.12 43.40 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 -2.35 0.00 -4.19 -2.24 8.00 -1.26 -2.08 116.55 112.43 1bve n ASP 30 Ca -0.05 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 54.75 1bve n ASP 30 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.31 4.52 0.88 -3.53 2.01 -1.17 0.41 115.64 117.45 1bve s THR 31 Ca 0.00 -2.79 -0.11 0.00 0.31 0.00 0.00 61.69 59.09 1bve s THR 31 Cb 0.00 -3.86 0.12 0.00 0.01 0.00 0.00 72.50 68.77 1bve s THR 31 CO 0.00 -0.95 1.09 0.54 -0.69 0.00 0.00 174.62 174.62 1bve s VAL 32 N -0.02 2.73 -0.29 3.82 0.11 0.41 -1.08 120.40 126.09 1bve s VAL 32 Ca 0.18 0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 59.31 1bve s VAL 32 Cb -0.16 -2.77 0.13 0.00 -1.53 0.00 0.00 36.38 32.05 1bve s VAL 32 CO -0.06 -0.31 0.86 -0.76 -3.33 0.00 0.00 175.10 171.50 1bve s LEU 33 N -6.14 -0.72 0.67 2.54 1.02 0.27 -0.66 118.68 115.67 1bve s LEU 33 Ca 0.63 1.11 -0.17 0.00 0.02 0.00 0.00 54.13 55.71 1bve s LEU 33 Cb -0.17 1.99 -0.13 0.00 0.02 0.00 0.00 46.19 47.90 1bve s LEU 33 CO 0.56 -0.17 -0.15 -1.84 0.02 0.00 0.00 176.35 174.78 1bve n GLU 34 N 4.25 0.07 -1.54 1.70 0.28 -1.11 -2.37 120.64 121.93 1bve n GLU 34 Ca -0.17 0.03 -0.40 0.00 -0.16 0.00 0.00 57.16 56.46 1bve n GLU 34 Cb 0.56 -1.18 0.02 0.00 1.43 0.00 0.00 31.44 32.27 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 1.27 0.90 -0.33 3.44 2.13 0.29 -4.47 120.64 123.87 1bve n GLU 35 Ca 0.06 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.21 1bve n GLU 35 Cb 0.50 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve n MET 36 N 0.06 0.00 -3.77 5.31 0.00 -1.26 -4.97 117.12 112.49 1bve n MET 36 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.45 1bve n MET 36 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.52 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 1.04 5.26 0.26 3.17 0.15 -1.26 -5.08 113.70 117.24 1bve s SER 37 Ca 0.00 -1.95 0.08 0.00 0.70 0.00 0.00 55.95 54.78 1bve s SER 37 Cb 0.00 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 1bve s SER 37 CO 0.00 -0.53 0.12 -0.22 1.20 0.00 0.00 173.24 173.82 1bve s LEU 38 N 1.17 3.58 -1.17 3.45 2.96 -1.26 -4.87 118.68 122.54 1bve s LEU 38 Ca 0.07 -0.40 -0.17 0.00 -0.22 0.00 0.00 54.13 53.41 1bve s LEU 38 Cb -0.23 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1bve s LEU 38 CO -0.04 -0.02 2.13 -0.81 -1.32 0.00 0.00 176.35 176.29 1bve n PRO 39 N -1.08 2.32 0.00 0.98 -0.04 -1.26 -4.95 135.00 130.98 1bve n PRO 39 Ca -0.07 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.14 1bve n PRO 39 Cb 0.58 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 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 4.24 0.45 2.77 0.55 0.00 -1.26 -4.89 105.19 107.05 1bve n GLY 40 Ca 0.52 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.16 -3.52 1.61 3.00 -1.26 -5.05 116.66 110.28 1bve n ARG 41 Ca 0.00 1.20 -0.11 0.00 -0.01 0.00 0.00 57.85 58.94 1bve n ARG 41 Cb 0.00 -4.91 -0.01 0.00 0.00 0.00 0.00 32.46 27.54 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 -1.81 -1.61 -3.78 -1.55 4.27 -1.26 -4.65 117.44 107.05 1bve n TRP 42 Ca -0.01 -1.85 -0.13 0.00 -3.89 0.00 0.00 57.50 51.63 1bve n TRP 42 Cb 0.51 0.58 -0.12 0.00 -1.36 0.00 0.00 31.31 30.92 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 -2.47 0.24 0.21 -2.67 1.02 -1.09 -4.96 119.74 110.04 1bve s LYS 43 Ca 0.21 0.37 -0.30 0.00 0.02 0.00 0.00 55.97 56.27 1bve s LYS 43 Cb -0.02 0.06 -0.08 0.00 -0.52 0.00 0.00 37.83 37.26 1bve s LYS 43 CO 0.15 -0.07 1.00 -1.25 -0.92 0.00 0.00 175.35 174.26 1bve s PRO 44 N 0.43 4.74 0.00 -1.68 0.04 -1.26 -0.25 135.00 137.03 1bve s PRO 44 Ca -0.03 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1bve s PRO 44 Cb -0.04 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1bve s PRO 44 CO -0.02 0.33 0.00 0.36 0.04 0.00 0.00 177.00 177.71 1bve n LYS 45 N 1.81 0.00 -3.69 4.56 -0.00 -0.56 -4.91 118.16 115.36 1bve n LYS 45 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 1bve n LYS 45 Cb 0.47 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.38 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 0.04 0.28 0.18 -1.58 -1.94 -1.26 -1.54 119.30 113.48 1bve s MET 46 Ca 0.00 0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 54.61 1bve s MET 46 Cb 0.00 0.02 -0.07 0.00 2.01 0.00 0.00 34.83 36.78 1bve s MET 46 CO 0.00 -0.20 0.56 0.96 -0.01 0.00 0.00 175.02 176.33 1bve s ILE 47 N 1.80 4.86 -0.20 2.53 -4.36 -0.06 -4.85 121.20 120.92 1bve s ILE 47 Ca -0.06 0.76 0.00 0.00 -0.26 0.00 0.00 60.65 61.09 1bve s ILE 47 Cb -0.10 -3.70 0.02 0.00 1.25 0.00 0.00 42.46 39.92 1bve s ILE 47 CO -0.11 0.14 -0.16 -0.83 0.24 0.00 0.00 174.94 174.23 1bve s GLY 48 N -1.90 1.47 0.00 6.27 0.00 -1.26 -1.26 107.32 110.63 1bve s GLY 48 Ca 0.41 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1bve s GLY 48 CO 0.20 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.26 1bve n GLY 49 N 4.63 4.21 3.68 0.20 0.00 -1.10 -4.98 105.19 111.83 1bve n GLY 49 Ca -0.20 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 2.96 4.80 0.00 -0.61 1.01 -1.26 -4.05 121.20 124.06 1bve s ILE 50 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.54 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 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.53 1bve n GLY 51 N 3.27 2.60 0.00 6.18 0.00 -1.26 -4.92 105.19 111.07 1bve n GLY 51 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.14 3.58 -0.02 0.00 -1.26 -5.14 105.19 101.21 1bve n GLY 52 Ca 0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -3.00 3.11 0.30 1.61 0.08 -1.26 -2.71 117.98 116.11 1bve s PHE 53 Ca 0.00 -0.09 0.06 0.00 0.12 0.00 0.00 56.93 57.03 1bve s PHE 53 Cb 0.00 -1.94 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1bve s PHE 53 CO 0.00 0.14 0.38 0.96 -0.10 0.00 0.00 175.22 176.60 1bve s ILE 54 N 0.04 4.30 -0.08 0.64 -4.36 -0.39 -4.84 121.20 116.52 1bve s ILE 54 Ca 0.02 -1.10 -0.11 0.00 -0.26 0.00 0.00 60.65 59.19 1bve s ILE 54 Cb -0.13 -3.48 -0.05 0.00 1.25 0.00 0.00 42.46 40.05 1bve s ILE 54 CO 0.02 -0.22 0.28 -0.54 0.24 0.00 0.00 174.94 174.72 1bve s LYS 55 N -4.06 3.77 0.33 0.37 1.02 -1.26 -0.88 119.74 119.03 1bve s LYS 55 Ca 0.40 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.58 1bve s LYS 55 Cb -0.09 -3.24 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 1bve s LYS 55 CO 0.29 0.66 0.24 0.14 -0.92 0.00 0.00 175.35 175.75 1bve s VAL 56 N -0.81 0.10 -0.50 3.17 -7.23 -0.59 -3.41 120.40 111.13 1bve s VAL 56 Ca 0.19 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1bve s VAL 56 Cb -0.14 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.45 1bve s VAL 56 CO 0.08 0.00 0.26 -0.13 -0.31 0.00 0.00 175.10 175.00 1bve s ARG 57 N -3.58 2.01 -0.39 4.82 1.81 0.20 -1.50 118.95 122.33 1bve s ARG 57 Ca 0.38 -2.44 -0.32 0.00 -1.72 0.00 0.00 55.73 51.63 1bve s ARG 57 Cb 0.03 -3.40 -0.10 0.00 -0.45 0.00 0.00 34.95 31.03 1bve s ARG 57 CO 0.24 -1.09 2.27 0.94 -0.68 0.00 0.00 175.30 176.98 1bve n GLN 58 N 3.45 1.18 -3.49 3.54 7.27 0.65 -2.33 117.38 127.66 1bve n GLN 58 Ca 0.05 0.27 -0.42 0.00 0.07 0.00 0.00 57.00 56.97 1bve n GLN 58 Cb 0.35 -2.72 -0.06 0.00 2.41 0.00 0.00 30.24 30.22 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 8.46 3.49 0.24 3.69 2.02 -0.90 -2.65 117.35 131.69 1bve s TYR 59 Ca 1.08 -1.98 -0.30 0.00 -0.37 0.00 0.00 57.07 55.50 1bve s TYR 59 Cb -0.66 -3.58 -0.09 0.00 -0.40 0.00 0.00 41.96 37.23 1bve s TYR 59 CO 0.42 -0.97 0.97 -0.51 -1.57 0.00 0.00 175.55 173.89 1bve s ASP 60 N 2.30 7.57 -0.55 2.29 1.11 -1.26 -1.16 116.67 126.97 1bve s ASP 60 Ca 0.11 2.00 -0.02 0.00 0.18 0.00 0.00 52.55 54.81 1bve s ASP 60 Cb -0.21 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.14 1bve s ASP 60 CO -0.03 0.09 0.49 0.00 1.18 0.00 0.00 175.17 176.90 1bve n GLN 61 N 1.53 -1.12 -4.52 8.23 6.02 -0.21 -4.93 117.38 122.37 1bve n GLN 61 Ca -0.02 0.71 -0.31 0.00 -0.01 0.00 0.00 57.00 57.38 1bve n GLN 61 Cb 0.47 -4.01 -0.17 0.00 1.02 0.00 0.00 30.24 27.55 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 -3.15 1.77 -0.98 5.09 1.01 -0.26 -4.77 121.20 119.92 1bve s ILE 62 Ca 0.17 -0.80 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 1bve s ILE 62 Cb -0.02 -1.59 -0.10 0.00 0.01 0.00 0.00 42.46 40.75 1bve s ILE 62 CO 0.43 0.49 2.06 -0.22 0.00 0.00 0.00 174.94 177.71 1bve s LEU 63 N 0.94 2.97 -0.18 2.97 1.98 -1.25 -1.77 118.68 124.34 1bve s LEU 63 Ca -0.06 -0.83 -0.22 0.00 -2.89 0.00 0.00 54.13 50.13 1bve s LEU 63 Cb -0.15 -2.57 -0.02 0.00 0.66 0.00 0.00 46.19 44.11 1bve s LEU 63 CO -0.03 -3.33 0.69 -0.51 -1.89 0.00 0.00 176.35 171.28 1bve s ILE 64 N 12.20 4.98 0.24 6.68 2.07 0.46 -4.40 121.20 143.43 1bve s ILE 64 Ca 0.76 1.32 -0.13 0.00 -1.41 0.00 0.00 60.65 61.18 1bve s ILE 64 Cb -0.06 -4.00 -0.08 0.00 0.13 0.00 0.00 42.46 38.45 1bve s ILE 64 CO 0.07 0.09 0.63 -0.70 -1.91 0.00 0.00 174.94 173.12 1bve s GLU 65 N 1.92 3.95 -0.20 3.50 2.12 -0.35 -2.16 118.70 127.48 1bve s GLU 65 Ca 0.32 0.51 -0.05 0.00 0.36 0.00 0.00 54.97 56.11 1bve s GLU 65 Cb -0.16 -2.66 0.10 0.00 0.26 0.00 0.00 34.13 31.67 1bve s GLU 65 CO 0.11 0.31 0.36 0.42 -0.54 0.00 0.00 175.26 175.92 1bve s ILE 66 N -1.77 -0.56 0.00 -3.70 1.09 -0.95 -2.20 121.20 113.12 1bve s ILE 66 Ca 0.47 0.08 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 1bve s ILE 66 Cb -0.12 -0.68 0.00 0.00 -1.06 0.00 0.00 42.46 40.60 1bve s ILE 66 CO 0.20 -0.02 0.00 0.00 -0.10 0.00 0.00 174.94 175.02 1bve n GLY 68 N -1.32 0.68 3.73 0.00 0.00 -1.26 -5.07 105.19 101.95 1bve n GLY 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 3.57 -0.63 1.61 3.76 -0.73 -5.00 115.29 115.86 1bve s HIS 69 Ca 0.00 1.03 -0.27 0.00 -0.15 0.00 0.00 55.06 55.67 1bve s HIS 69 Cb 0.00 -2.61 0.03 0.00 1.11 0.00 0.00 32.58 31.12 1bve s HIS 69 CO 0.00 0.20 1.16 0.15 -0.85 0.00 0.00 174.74 175.40 1bve s LYS 70 N 0.45 3.36 0.12 1.40 1.02 -1.26 -2.24 119.74 122.59 1bve s LYS 70 Ca 0.29 -0.06 0.07 0.00 0.02 0.00 0.00 55.97 56.30 1bve s LYS 70 Cb -0.16 -4.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.02 1bve s LYS 70 CO 0.13 -1.79 -0.09 0.00 -0.92 0.00 0.00 175.35 172.69 1bve s ALA 71 N 4.93 2.99 0.07 5.17 0.00 -0.92 -4.98 121.76 129.02 1bve s ALA 71 Ca 0.37 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 51.13 1bve s ALA 71 Cb -0.09 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 1bve s ALA 71 CO 0.20 0.60 -0.24 0.42 0.00 0.00 0.00 175.76 176.75 1bve s ILE 72 N -1.35 1.93 0.00 0.00 -1.09 -1.26 0.17 121.20 119.60 1bve s ILE 72 Ca 0.23 -1.41 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 1bve s ILE 72 Cb -0.11 -1.68 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 1bve s ILE 72 CO 0.15 0.20 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1bve n GLY 73 N 1.55 1.30 3.38 6.18 0.00 -0.73 -4.78 105.19 112.09 1bve n GLY 73 Ca -0.18 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.31 5.19 -0.50 2.61 2.01 -1.25 -1.05 115.64 120.33 1bve s THR 74 Ca 0.00 -1.10 -0.19 0.00 0.31 0.00 0.00 61.69 60.71 1bve s THR 74 Cb 0.00 -4.11 0.06 0.00 0.01 0.00 0.00 72.50 68.46 1bve s THR 74 CO 0.00 -0.59 0.59 -0.69 -0.69 0.00 0.00 174.62 173.24 1bve s VAL 75 N 1.63 4.93 -0.26 3.82 1.01 -0.31 -3.05 120.40 128.17 1bve s VAL 75 Ca 0.04 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1bve s VAL 75 Cb -0.25 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1bve s VAL 75 CO 0.06 -0.77 1.13 -0.76 0.00 0.00 0.00 175.10 174.76 1bve s LEU 76 N 2.48 4.03 -0.35 3.92 1.02 -0.24 -2.11 118.68 127.43 1bve s LEU 76 Ca 0.13 1.30 -0.09 0.00 0.02 0.00 0.00 54.13 55.49 1bve s LEU 76 Cb -0.20 -3.54 0.03 0.00 0.02 0.00 0.00 46.19 42.50 1bve s LEU 76 CO 0.11 -0.82 0.15 -0.69 0.02 0.00 0.00 176.35 175.12 1bve s VAL 77 N 3.57 4.19 0.00 -1.59 1.01 -0.98 0.98 120.40 127.58 1bve s VAL 77 Ca 0.48 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1bve s VAL 77 Cb -0.15 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1bve s VAL 77 CO 0.13 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.69 1bve n GLY 78 N 4.91 4.64 1.53 4.51 0.00 -1.00 0.62 105.19 120.40 1bve n GLY 78 Ca -0.13 -1.16 -0.04 0.00 0.00 0.00 0.00 46.02 44.70 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 1.17 -2.91 1.61 -0.04 -1.22 0.10 135.00 133.72 1bve n PRO 79 Ca 0.00 -0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 62.71 1bve n PRO 79 Cb 0.00 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.50 4.79 -1.09 0.52 -1.32 -1.26 -4.92 115.64 111.86 1bve s THR 80 Ca 0.07 1.73 0.00 0.00 -1.21 0.00 0.00 61.69 62.28 1bve s THR 80 Cb 0.05 -4.17 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 1bve s THR 80 CO 0.00 0.30 0.54 -0.81 -2.21 0.00 0.00 174.62 172.44 1bve n PRO 81 N 3.20 1.00 -3.47 7.08 -0.04 -1.26 -3.26 135.00 138.25 1bve n PRO 81 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.50 -1.45 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.09 0.00 -0.84 0.52 1.01 -1.26 -4.98 120.40 113.76 1bve s VAL 82 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1bve s VAL 82 Cb 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 36.38 35.56 1bve s VAL 82 CO 0.00 0.00 0.89 0.20 0.00 0.00 0.00 175.10 176.19 1bve s ASN 83 N -2.20 6.66 -0.15 3.32 -0.87 -1.26 -2.74 114.94 117.69 1bve s ASN 83 Ca -0.02 -2.33 -0.29 0.00 -1.57 0.00 0.00 52.86 48.64 1bve s ASN 83 Cb -0.01 -2.29 -0.01 0.00 -0.02 0.00 0.00 41.25 38.93 1bve s ASN 83 CO -0.05 -0.80 1.09 -0.63 -2.57 0.00 0.00 177.10 174.13 1bve s ILE 84 N 1.33 4.59 -0.76 0.60 -1.09 0.16 -0.77 121.20 125.26 1bve s ILE 84 Ca 0.23 1.89 -0.13 0.00 -2.23 0.00 0.00 60.65 60.40 1bve s ILE 84 Cb -0.10 -4.22 0.20 0.00 -1.58 0.00 0.00 42.46 36.77 1bve s ILE 84 CO -0.08 -0.08 0.70 -0.63 -1.23 0.00 0.00 174.94 173.62 1bve s ILE 85 N 2.67 5.39 0.00 2.92 1.09 -1.07 -0.44 121.20 131.77 1bve s ILE 85 Ca 0.49 -2.35 0.00 0.00 -1.10 0.00 0.00 60.65 57.69 1bve s ILE 85 Cb -0.19 -4.36 0.00 0.00 -1.06 0.00 0.00 42.46 36.85 1bve s ILE 85 CO 0.14 -0.99 0.00 0.61 -0.10 0.00 0.00 174.94 174.60 1bve n GLY 86 N 4.14 -0.50 0.25 6.18 0.00 0.17 -0.84 105.19 114.59 1bve n GLY 86 Ca 0.09 -1.59 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 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 0.75 -1.22 1.61 3.08 -1.60 -1.01 114.38 115.99 1bve h ARG 87 Ca 0.00 -0.35 0.35 0.00 0.07 0.00 0.00 59.98 60.05 1bve h ARG 87 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 1bve h ARG 87 CO 0.00 0.97 0.98 -2.95 -1.07 0.00 0.00 179.97 177.90 1bve h ASN 88 N 0.63 0.00 0.00 7.04 -1.07 -1.67 -0.01 115.58 120.50 1bve h ASN 88 Ca 0.07 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.30 1bve h ASN 88 Cb 0.86 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.08 1bve h ASN 88 CO 0.07 0.00 -1.70 0.18 0.07 0.00 0.00 177.43 176.06 1bve n LEU 89 N -3.89 0.00 0.00 6.14 7.99 -1.06 -4.36 117.00 121.82 1bve n LEU 89 Ca 0.27 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.35 1bve n LEU 89 Cb 1.37 0.19 0.42 0.00 -0.11 0.00 0.00 43.42 45.29 1bve n LEU 89 CO 0.36 0.19 0.78 0.18 -1.51 0.00 0.00 177.39 177.39 1bve n LEU 90 N -2.26 0.00 0.00 2.23 4.77 -0.15 -1.55 117.00 120.04 1bve n LEU 90 Ca -0.13 0.39 0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1bve n LEU 90 Cb 0.70 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1bve n LEU 90 CO 0.24 -0.16 -0.07 0.35 -1.33 0.00 0.00 177.39 176.42 1bve n THR 91 N -1.39 0.02 -0.00 -5.08 -2.24 -0.45 -0.24 114.28 104.89 1bve n THR 91 Ca 0.06 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1bve n THR 91 Cb 0.18 0.70 -0.14 0.00 -2.10 0.00 0.00 70.33 68.97 1bve n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n GLN 92 N -1.65 0.75 -0.00 -0.78 6.02 -0.60 -3.85 117.38 117.27 1bve n GLN 92 Ca 0.03 0.28 0.15 0.00 -0.01 0.00 0.00 57.00 57.45 1bve n GLN 92 Cb 0.37 -1.71 0.78 0.00 1.02 0.00 0.00 30.24 30.70 1bve n GLN 92 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 1bve n ILE 93 N -3.55 0.01 -2.32 5.09 -5.35 -0.99 -4.89 119.36 107.37 1bve n ILE 93 Ca -0.32 -0.08 -0.06 0.00 -0.27 0.00 0.00 62.75 62.02 1bve n ILE 93 Cb 1.02 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.03 0.23 3.77 3.28 0.00 -1.23 -4.88 105.19 107.39 1bve n GLY 94 Ca 0.21 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.53 3.51 -0.04 4.61 0.00 0.67 -5.01 121.76 122.97 1bve s ALA 95 Ca 0.05 1.33 -0.00 0.00 0.00 0.00 0.00 51.96 53.34 1bve s ALA 95 Cb -0.02 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.62 1bve s ALA 95 CO 0.06 -0.74 0.01 0.95 0.00 0.00 0.00 175.76 176.04 1bve s THR 96 N -1.14 0.21 -0.88 0.00 -4.23 -1.26 -4.80 115.64 103.53 1bve s THR 96 Ca 0.50 0.13 -0.20 0.00 -1.18 0.00 0.00 61.69 60.94 1bve s THR 96 Cb -0.41 -0.33 0.11 0.00 1.34 0.00 0.00 72.50 73.21 1bve s THR 96 CO 0.55 0.18 1.12 -0.76 -0.54 0.00 0.00 174.62 175.17 1bve s LEU 97 N 1.39 4.79 -0.25 4.79 1.02 -1.26 -4.99 118.68 124.18 1bve s LEU 97 Ca -0.05 -1.79 -0.09 0.00 0.02 0.00 0.00 54.13 52.23 1bve s LEU 97 Cb -0.13 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1bve s LEU 97 CO -0.03 -1.17 0.11 0.20 0.02 0.00 0.00 176.35 175.48 1bve s ASN 98 N 3.77 5.53 0.00 2.29 0.02 -1.26 -5.30 114.94 119.99 1bve s ASN 98 Ca 0.32 -0.09 0.00 0.00 -1.02 0.00 0.00 52.86 52.07 1bve s ASN 98 Cb -0.07 -2.00 0.00 0.00 0.02 0.00 0.00 41.25 39.20 1bve s ASN 98 CO -0.06 -0.01 0.37 2.22 0.02 0.00 0.00 177.10 179.64