#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 4.56 -0.31 0.54 0.74 -1.26 -5.02 119.66 118.92 1bve s GLN 2 Ca 0.00 1.18 0.01 0.00 0.05 0.00 0.00 55.36 56.60 1bve s GLN 2 Cb 0.00 -3.36 0.09 0.00 1.10 0.00 0.00 33.01 30.84 1bve s GLN 2 CO 0.00 0.28 0.06 0.08 -0.55 0.00 0.00 175.29 175.15 1bve s VAL 3 N -0.09 1.46 0.00 1.34 1.01 -1.26 -4.97 120.40 117.88 1bve s VAL 3 Ca 0.41 -1.68 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1bve s VAL 3 Cb -0.21 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1bve s VAL 3 CO 0.25 -0.55 0.00 0.35 0.00 0.00 0.00 175.10 175.15 1bve n THR 4 N 4.62 0.00 -2.37 3.92 -2.24 -1.26 -4.92 114.28 112.02 1bve n THR 4 Ca -0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 1bve n THR 4 Cb 0.42 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.95 -0.17 -2.37 3.22 4.77 -1.26 -2.50 117.00 117.74 1bve n LEU 5 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1bve n LEU 5 Cb 0.00 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1bve n LEU 5 CO 0.00 0.02 0.00 0.79 -1.33 0.00 0.00 177.39 176.87 1bve n TRP 6 N -2.07 0.00 -3.20 -1.77 7.02 -1.26 -4.73 117.44 111.42 1bve n TRP 6 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1bve n TRP 6 Cb 0.33 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.22 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 -0.91 0.00 -3.00 -0.99 6.02 -1.04 -5.13 117.38 112.32 1bve n GLN 7 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 1bve n GLN 7 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 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 -0.15 4.50 -1.42 -1.09 0.52 -1.26 -4.95 118.95 115.10 1bve s ARG 8 Ca 0.00 1.07 -0.14 0.00 -0.52 0.00 0.00 55.73 56.15 1bve s ARG 8 Cb 0.00 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 1bve s ARG 8 CO 0.00 0.40 2.36 -0.35 0.02 0.00 0.00 175.30 177.73 1bve n PRO 9 N 2.35 2.90 -3.16 3.54 -0.04 -1.26 -4.95 135.00 134.38 1bve n PRO 9 Ca -0.04 -2.42 -0.37 0.00 -0.04 0.00 0.00 63.50 60.63 1bve n PRO 9 Cb 0.50 -3.13 -0.06 0.00 -0.04 0.00 0.00 33.50 30.76 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 1.63 4.42 0.07 1.53 1.43 -1.26 -2.79 118.68 123.70 1bve s LEU 10 Ca 0.52 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1bve s LEU 10 Cb 0.15 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 1bve s LEU 10 CO -0.06 0.12 -0.02 0.68 0.23 0.00 0.00 176.35 177.29 1bve s VAL 11 N -1.38 0.26 -0.43 -1.59 -7.23 -0.63 -4.91 120.40 104.49 1bve s VAL 11 Ca 0.38 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.53 1bve s VAL 11 Cb -0.18 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.18 1bve s VAL 11 CO 0.21 -0.92 0.50 -0.89 -0.31 0.00 0.00 175.10 173.69 1bve s THR 12 N -3.90 5.01 0.27 5.32 2.01 -1.26 -0.80 115.64 122.29 1bve s THR 12 Ca 0.10 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.90 1bve s THR 12 Cb 0.08 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 1bve s THR 12 CO -0.08 -0.48 0.42 0.27 -0.69 0.00 0.00 174.62 174.06 1bve s ILE 13 N 2.33 5.21 -0.36 1.82 -4.36 -0.78 -4.46 121.20 120.59 1bve s ILE 13 Ca 0.15 -0.73 0.03 0.00 -0.26 0.00 0.00 60.65 59.84 1bve s ILE 13 Cb -0.16 -3.84 0.10 0.00 1.25 0.00 0.00 42.46 39.81 1bve s ILE 13 CO 0.15 -0.37 0.08 -0.75 0.24 0.00 0.00 174.94 174.29 1bve s LYS 14 N -3.97 1.58 -0.12 0.37 2.20 -0.58 -2.75 119.74 116.46 1bve s LYS 14 Ca 0.36 -1.94 0.00 0.00 -0.36 0.00 0.00 55.97 54.04 1bve s LYS 14 Cb -0.10 -3.26 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1bve s LYS 14 CO 0.31 -0.97 -0.14 0.42 -0.36 0.00 0.00 175.35 174.61 1bve s ILE 15 N 0.82 2.96 -1.25 5.43 1.01 -0.87 -1.89 121.20 127.41 1bve s ILE 15 Ca 0.11 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1bve s ILE 15 Cb -0.20 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 1bve s ILE 15 CO -0.07 0.53 0.83 0.61 0.00 0.00 0.00 174.94 176.85 1bve n GLY 16 N 3.45 -0.36 2.25 6.18 0.00 -1.26 -0.75 105.19 114.69 1bve n GLY 16 Ca -0.18 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.38 0.14 3.67 -0.02 0.00 -1.26 -4.92 105.19 101.43 1bve n GLY 17 Ca -0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.27 2.05 -0.03 1.61 -0.21 0.07 -5.14 119.66 113.74 1bve s GLN 18 Ca 0.00 -2.23 -0.01 0.00 0.02 0.00 0.00 55.36 53.14 1bve s GLN 18 Cb 0.00 -1.56 0.03 0.00 1.00 0.00 0.00 33.01 32.48 1bve s GLN 18 CO 0.00 -0.19 0.05 -0.51 -2.12 0.00 0.00 175.29 172.52 1bve s LEU 19 N -3.77 0.74 0.29 2.90 1.43 -1.26 -2.05 118.68 116.96 1bve s LEU 19 Ca 0.23 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1bve s LEU 19 Cb 0.06 -0.03 -0.02 0.00 0.03 0.00 0.00 46.19 46.23 1bve s LEU 19 CO 0.12 -0.17 0.32 -0.75 0.23 0.00 0.00 176.35 176.10 1bve s LYS 20 N 1.43 1.61 0.98 1.70 2.20 -1.11 -4.99 119.74 121.56 1bve s LYS 20 Ca -0.05 -1.72 -0.16 0.00 -0.36 0.00 0.00 55.97 53.68 1bve s LYS 20 Cb -0.13 0.37 0.21 0.00 -1.51 0.00 0.00 37.83 36.77 1bve s LYS 20 CO -0.03 -0.62 1.31 -1.21 -0.36 0.00 0.00 175.35 174.44 1bve s GLU 21 N -3.61 0.51 -0.28 4.03 0.41 -1.26 -1.87 118.70 116.63 1bve s GLU 21 Ca 0.35 -0.40 -0.08 0.00 -0.41 0.00 0.00 54.97 54.43 1bve s GLU 21 Cb 0.02 -1.83 0.13 0.00 -1.78 0.00 0.00 34.13 30.68 1bve s GLU 21 CO 0.18 -2.50 0.59 0.00 -0.49 0.00 0.00 175.26 173.04 1bve s ALA 22 N -3.85 -1.90 -0.76 5.21 0.00 0.02 -4.49 121.76 115.99 1bve s ALA 22 Ca 0.74 2.07 -0.20 0.00 0.00 0.00 0.00 51.96 54.58 1bve s ALA 22 Cb -0.04 -1.77 0.11 0.00 0.00 0.00 0.00 23.12 21.42 1bve s ALA 22 CO 0.53 -0.98 0.97 -1.17 0.00 0.00 0.00 175.76 175.11 1bve s LEU 23 N 2.83 4.97 -0.87 0.00 2.96 -0.24 -1.61 118.68 126.73 1bve s LEU 23 Ca -0.00 -1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 52.07 1bve s LEU 23 Cb -0.13 -2.38 -0.20 0.00 0.50 0.00 0.00 46.19 43.98 1bve s LEU 23 CO -0.18 -1.18 2.50 0.18 -1.32 0.00 0.00 176.35 176.35 1bve n LEU 24 N 6.79 0.51 -4.26 -0.68 4.77 -1.12 -3.15 117.00 119.86 1bve n LEU 24 Ca 0.07 -0.27 -0.44 0.00 -0.03 0.00 0.00 56.01 55.34 1bve n LEU 24 Cb 0.46 -1.06 -0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1bve n LEU 24 CO 0.56 -1.23 0.28 -0.62 -1.33 0.00 0.00 177.39 175.05 1bve s ASP 25 N 8.08 6.27 0.00 -1.43 -1.08 -0.08 -4.87 116.67 123.57 1bve s ASP 25 Ca 1.23 -2.60 0.12 0.00 -0.52 0.00 0.00 52.55 50.77 1bve s ASP 25 Cb -0.84 -2.11 0.57 0.00 -1.46 0.00 0.00 42.92 39.08 1bve s ASP 25 CO 0.42 -0.56 1.30 0.41 0.52 0.00 0.00 175.17 177.26 1bve n THR 26 N 4.02 0.82 0.14 1.71 -1.04 -1.26 -2.46 114.28 116.21 1bve n THR 26 Ca 0.09 0.21 -0.24 0.00 -2.04 0.00 0.00 64.05 62.06 1bve n THR 26 Cb 0.44 -1.01 -0.16 0.00 -1.82 0.00 0.00 70.33 67.78 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 1.94 0.59 -1.28 3.41 0.00 -1.90 -3.42 103.07 102.41 1bve h GLY 27 Ca 0.00 -1.52 -0.51 0.00 0.00 0.00 0.00 47.33 45.30 1bve h GLY 27 CO 0.00 1.33 0.31 0.00 0.00 0.00 0.00 176.54 178.18 1bve s ALA 28 N -2.61 2.16 -0.38 3.60 0.00 -1.03 -4.90 121.76 118.61 1bve s ALA 28 Ca -0.09 0.22 0.22 0.00 0.00 0.00 0.00 51.96 52.31 1bve s ALA 28 Cb 0.04 -3.26 -0.29 0.00 0.00 0.00 0.00 23.12 19.61 1bve s ALA 28 CO 0.94 -1.84 0.64 -0.25 0.00 0.00 0.00 175.76 175.25 1bve n ASP 29 N -3.57 0.36 -0.16 0.00 9.92 -1.26 -1.42 116.55 120.42 1bve n ASP 29 Ca 0.09 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.00 1bve n ASP 29 Cb 0.53 1.63 0.00 0.00 -0.64 0.00 0.00 41.12 42.64 1bve n ASP 29 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1bve n ASP 30 N -2.00 0.77 -3.92 -2.24 -0.08 -1.26 -1.73 116.55 106.09 1bve n ASP 30 Ca -0.01 -0.12 -0.30 0.00 -1.51 0.00 0.00 54.79 52.85 1bve n ASP 30 Cb 0.48 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.81 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 -0.39 2.47 0.82 5.18 2.01 -1.12 0.66 115.64 125.26 1bve s THR 31 Ca 0.00 -3.26 -0.11 0.00 0.31 0.00 0.00 61.69 58.63 1bve s THR 31 Cb 0.00 -2.71 0.08 0.00 0.01 0.00 0.00 72.50 69.88 1bve s THR 31 CO 0.00 -0.81 1.09 0.54 -0.69 0.00 0.00 174.62 174.75 1bve s VAL 32 N -0.25 3.10 -0.28 3.82 0.11 0.13 -1.09 120.40 125.93 1bve s VAL 32 Ca 0.17 0.36 -0.16 0.00 -2.93 0.00 0.00 61.98 59.42 1bve s VAL 32 Cb -0.25 -2.86 0.09 0.00 -1.53 0.00 0.00 36.38 31.83 1bve s VAL 32 CO -0.00 -0.47 0.72 -0.76 -3.33 0.00 0.00 175.10 171.27 1bve s LEU 33 N -6.02 -0.91 0.84 2.54 1.02 0.24 -0.29 118.68 116.11 1bve s LEU 33 Ca 0.62 1.43 -0.17 0.00 0.02 0.00 0.00 54.13 56.03 1bve s LEU 33 Cb -0.17 2.30 -0.14 0.00 0.02 0.00 0.00 46.19 48.20 1bve s LEU 33 CO 0.56 -0.22 -0.52 1.21 0.02 0.00 0.00 176.35 177.40 1bve n GLU 34 N 4.31 0.00 -1.32 1.70 2.13 -1.08 -1.75 120.64 124.63 1bve n GLU 34 Ca -0.19 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.27 1bve n GLU 34 Cb 0.58 -1.06 0.07 0.00 0.27 0.00 0.00 31.44 31.31 1bve n GLU 34 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bve n GLU 35 N 1.96 0.40 -0.71 5.31 1.02 0.61 -4.25 120.64 124.98 1bve n GLU 35 Ca 0.02 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1bve n GLU 35 Cb 0.53 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bve n MET 36 N -1.06 0.00 -4.35 3.49 0.00 -1.26 -4.93 117.12 109.01 1bve n MET 36 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.47 1bve n MET 36 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.62 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 0.87 5.15 0.20 3.17 0.15 -1.26 -5.08 113.70 116.91 1bve s SER 37 Ca 0.00 0.07 -0.12 0.00 0.70 0.00 0.00 55.95 56.60 1bve s SER 37 Cb 0.00 -1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 62.91 1bve s SER 37 CO 0.00 0.33 0.40 -0.76 1.20 0.00 0.00 173.24 174.41 1bve s LEU 38 N -1.19 0.56 0.23 3.45 1.43 -1.26 -4.78 118.68 117.11 1bve s LEU 38 Ca 0.16 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 1bve s LEU 38 Cb -0.11 1.55 -0.09 0.00 0.03 0.00 0.00 46.19 47.57 1bve s LEU 38 CO 0.06 -1.02 1.04 -2.16 0.23 0.00 0.00 176.35 174.50 1bve s PRO 39 N -3.98 4.70 0.00 1.29 0.04 -1.26 -5.03 135.00 130.76 1bve s PRO 39 Ca 0.19 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1bve s PRO 39 Cb 0.01 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1bve s PRO 39 CO 0.04 0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.75 1bve n GLY 40 N 1.60 -1.48 1.04 0.56 0.00 -1.26 -4.65 105.19 101.00 1bve n GLY 40 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1bve n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bve n ARG 41 N -0.75 0.00 -2.48 1.61 0.63 -1.26 -4.99 116.66 109.43 1bve n ARG 41 Ca 0.00 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1bve n ARG 41 Cb 0.00 -2.26 -0.02 0.00 0.45 0.00 0.00 32.46 30.63 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 1bve n TRP 42 N -1.32 -0.11 -3.72 -0.14 4.27 -1.26 -4.22 117.44 110.94 1bve n TRP 42 Ca 0.00 -0.57 -0.13 0.00 -3.89 0.00 0.00 57.50 52.91 1bve n TRP 42 Cb 0.45 0.04 -0.10 0.00 -1.36 0.00 0.00 31.31 30.35 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 -2.29 0.50 0.25 -2.67 -0.14 -1.09 -4.95 119.74 109.34 1bve s LYS 43 Ca 0.07 0.64 -0.30 0.00 -1.36 0.00 0.00 55.97 55.02 1bve s LYS 43 Cb 0.00 0.21 -0.09 0.00 -1.68 0.00 0.00 37.83 36.28 1bve s LYS 43 CO 0.05 -0.07 1.02 -1.25 -0.76 0.00 0.00 175.35 174.33 1bve s PRO 44 N 0.39 4.74 0.00 -1.68 0.04 -1.26 -0.76 135.00 136.48 1bve s PRO 44 Ca -0.01 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1bve s PRO 44 Cb -0.04 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1bve s PRO 44 CO -0.01 0.35 0.00 0.36 0.04 0.00 0.00 177.00 177.74 1bve n LYS 45 N 1.48 0.00 -3.71 4.56 2.85 -0.57 -4.93 118.16 117.84 1bve n LYS 45 Ca -0.01 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.13 1bve n LYS 45 Cb 0.46 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.72 1bve n LYS 45 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1bve s MET 46 N 1.05 0.30 0.17 -1.58 -1.94 -1.26 -1.56 119.30 114.48 1bve s MET 46 Ca 0.00 0.64 -0.16 0.00 -1.71 0.00 0.00 55.69 54.46 1bve s MET 46 Cb 0.00 -0.06 -0.07 0.00 2.01 0.00 0.00 34.83 36.70 1bve s MET 46 CO 0.00 -0.16 0.60 0.96 -0.01 0.00 0.00 175.02 176.41 1bve s ILE 47 N 1.27 4.77 -0.41 2.53 -4.36 -0.93 -4.83 121.20 119.25 1bve s ILE 47 Ca -0.09 0.97 0.01 0.00 -0.26 0.00 0.00 60.65 61.28 1bve s ILE 47 Cb -0.09 -3.77 0.11 0.00 1.25 0.00 0.00 42.46 39.96 1bve s ILE 47 CO -0.10 0.24 0.16 -0.83 0.24 0.00 0.00 174.94 174.65 1bve s GLY 48 N -1.68 2.07 0.00 6.27 0.00 -1.26 -1.71 107.32 111.01 1bve s GLY 48 Ca 0.39 -2.70 0.00 0.00 0.00 0.00 0.00 44.72 42.41 1bve s GLY 48 CO 0.20 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.90 1bve n GLY 49 N 4.15 2.20 3.57 0.20 0.00 -1.08 -5.00 105.19 109.23 1bve n GLY 49 Ca 0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 3.64 4.66 0.00 -0.61 1.01 -1.26 -4.16 121.20 124.49 1bve s ILE 50 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 1bve s ILE 50 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1bve s ILE 50 CO 0.00 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.95 1bve n GLY 51 N 4.75 3.35 0.00 6.18 0.00 -1.26 -5.01 105.19 113.20 1bve n GLY 51 Ca 0.03 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.62 3.23 -0.02 0.00 -1.26 -5.11 105.19 101.40 1bve n GLY 52 Ca 0.00 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.54 3.04 0.72 1.61 0.40 -1.26 -2.63 117.98 116.31 1bve s PHE 53 Ca 0.00 -1.38 -0.03 0.00 -0.60 0.00 0.00 56.93 54.92 1bve s PHE 53 Cb 0.00 -2.08 0.11 0.00 0.51 0.00 0.00 43.02 41.56 1bve s PHE 53 CO 0.00 -0.68 1.00 0.96 0.70 0.00 0.00 175.22 177.19 1bve s ILE 54 N 1.37 2.23 -0.06 0.64 -4.36 -0.69 -4.83 121.20 115.50 1bve s ILE 54 Ca 0.02 -0.49 -0.02 0.00 -0.26 0.00 0.00 60.65 59.89 1bve s ILE 54 Cb -0.16 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.78 1bve s ILE 54 CO -0.04 0.00 0.07 -0.54 0.24 0.00 0.00 174.94 174.67 1bve s LYS 55 N -5.18 3.13 0.31 0.37 1.02 -1.26 -2.19 119.74 115.94 1bve s LYS 55 Ca 0.65 -0.38 -0.08 0.00 0.02 0.00 0.00 55.97 56.18 1bve s LYS 55 Cb -0.07 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1bve s LYS 55 CO 0.44 0.70 0.51 0.14 -0.92 0.00 0.00 175.35 176.22 1bve s VAL 56 N -1.06 0.00 -0.35 3.17 -7.23 -0.60 -3.25 120.40 111.08 1bve s VAL 56 Ca 0.18 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1bve s VAL 56 Cb -0.12 -2.51 0.11 0.00 0.56 0.00 0.00 36.38 34.41 1bve s VAL 56 CO 0.08 0.00 0.11 -0.13 -0.31 0.00 0.00 175.10 174.85 1bve s ARG 57 N -3.32 1.13 -0.46 4.82 0.52 0.95 -1.51 118.95 121.08 1bve s ARG 57 Ca 0.26 -1.57 -0.27 0.00 -0.52 0.00 0.00 55.73 53.62 1bve s ARG 57 Cb -0.01 -2.55 -0.08 0.00 0.52 0.00 0.00 34.95 32.83 1bve s ARG 57 CO 0.15 -1.00 2.39 0.94 0.02 0.00 0.00 175.30 177.80 1bve n GLN 58 N 4.37 1.16 -3.28 3.54 -0.06 0.06 -2.33 117.38 120.85 1bve n GLN 58 Ca 0.02 0.12 -0.46 0.00 -2.00 0.00 0.00 57.00 54.67 1bve n GLN 58 Cb 0.41 -3.22 -0.03 0.00 -4.06 0.00 0.00 30.24 23.33 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 -0.20 0.00 0.00 177.06 177.57 1bve s TYR 59 N 11.00 3.48 0.23 3.69 2.02 -0.64 -2.67 117.35 134.47 1bve s TYR 59 Ca 1.02 -1.63 -0.30 0.00 -0.37 0.00 0.00 57.07 55.80 1bve s TYR 59 Cb -0.32 -3.86 -0.09 0.00 -0.40 0.00 0.00 41.96 37.30 1bve s TYR 59 CO 0.31 -1.06 0.97 -0.51 -1.57 0.00 0.00 175.55 173.69 1bve s ASP 60 N 2.87 7.57 -0.29 2.29 1.11 -1.26 -1.39 116.67 127.57 1bve s ASP 60 Ca 0.13 1.99 -0.01 0.00 0.18 0.00 0.00 52.55 54.84 1bve s ASP 60 Cb -0.18 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.19 1bve s ASP 60 CO -0.04 0.08 0.26 0.00 1.18 0.00 0.00 175.17 176.66 1bve n GLN 61 N 1.58 -0.60 -4.08 8.23 3.00 -0.70 -4.94 117.38 119.87 1bve n GLN 61 Ca -0.01 0.42 -0.33 0.00 -0.01 0.00 0.00 57.00 57.07 1bve n GLN 61 Cb 0.47 -2.81 -0.15 0.00 0.00 0.00 0.00 30.24 27.75 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 -3.08 2.17 -0.92 5.09 -1.09 -0.18 -4.82 121.20 118.37 1bve s ILE 62 Ca 0.10 -1.31 -0.25 0.00 -2.23 0.00 0.00 60.65 56.95 1bve s ILE 62 Cb -0.01 -2.12 -0.13 0.00 -1.58 0.00 0.00 42.46 38.62 1bve s ILE 62 CO 0.22 0.22 2.19 -0.22 -1.23 0.00 0.00 174.94 176.12 1bve s LEU 63 N 1.19 2.85 -0.35 2.97 1.98 -1.26 -2.13 118.68 123.94 1bve s LEU 63 Ca -0.03 -0.52 -0.21 0.00 -2.89 0.00 0.00 54.13 50.48 1bve s LEU 63 Cb -0.17 -2.57 0.00 0.00 0.66 0.00 0.00 46.19 44.12 1bve s LEU 63 CO -0.08 -3.71 0.68 -0.51 -1.89 0.00 0.00 176.35 170.84 1bve s ILE 64 N 13.75 4.85 -0.19 6.68 2.07 0.13 -4.47 121.20 144.02 1bve s ILE 64 Ca 0.82 0.75 -0.22 0.00 -1.41 0.00 0.00 60.65 60.59 1bve s ILE 64 Cb -0.08 -4.10 -0.02 0.00 0.13 0.00 0.00 42.46 38.38 1bve s ILE 64 CO 0.08 -0.31 0.66 -0.70 -1.91 0.00 0.00 174.94 172.77 1bve s GLU 65 N 2.81 4.23 -0.12 3.50 -6.30 -0.79 -2.16 118.70 119.86 1bve s GLU 65 Ca 0.27 0.69 0.01 0.00 -2.50 0.00 0.00 54.97 53.43 1bve s GLU 65 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 34.13 30.43 1bve s GLU 65 CO 0.15 -0.25 -0.13 0.42 0.02 0.00 0.00 175.26 175.46 1bve s ILE 66 N 1.95 1.40 -1.33 -3.70 1.01 -0.59 -1.52 121.20 118.41 1bve s ILE 66 Ca 0.30 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 1bve s ILE 66 Cb -0.16 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.01 1bve s ILE 66 CO 0.11 0.43 0.90 0.00 0.00 0.00 0.00 174.94 176.37 1bve n GLY 68 N -1.55 1.11 3.15 0.00 0.00 -1.26 -4.98 105.19 101.66 1bve n GLY 68 Ca -0.19 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.65 2.11 0.06 1.61 4.02 -0.56 -5.10 115.29 114.79 1bve s HIS 69 Ca 0.00 -0.81 -0.31 0.00 1.02 0.00 0.00 55.06 54.96 1bve s HIS 69 Cb 0.00 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.58 30.06 1bve s HIS 69 CO 0.00 -0.34 1.27 0.21 1.02 0.00 0.00 174.74 176.91 1bve s LYS 70 N 0.39 4.38 -0.22 1.40 2.20 -1.26 -1.55 119.74 125.09 1bve s LYS 70 Ca -0.15 1.87 -0.04 0.00 -0.36 0.00 0.00 55.97 57.29 1bve s LYS 70 Cb -0.16 -3.36 0.10 0.00 -1.51 0.00 0.00 37.83 32.90 1bve s LYS 70 CO 0.06 -0.35 0.26 0.00 -0.36 0.00 0.00 175.35 174.96 1bve s ALA 71 N 1.29 -0.45 0.36 3.13 0.00 -0.92 -4.90 121.76 120.27 1bve s ALA 71 Ca 0.61 0.37 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 1bve s ALA 71 Cb -0.31 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1bve s ALA 71 CO 0.29 -1.24 0.64 0.42 0.00 0.00 0.00 175.76 175.87 1bve s ILE 72 N 2.37 4.97 -0.01 0.00 -1.09 -1.26 0.21 121.20 126.40 1bve s ILE 72 Ca 0.08 0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.56 1bve s ILE 72 Cb -0.16 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1bve s ILE 72 CO -0.14 -0.52 0.18 0.61 -1.23 0.00 0.00 174.94 173.84 1bve n GLY 73 N -1.46 0.46 3.41 6.18 0.00 -0.90 -4.84 105.19 108.04 1bve n GLY 73 Ca -0.01 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.06 5.03 -0.36 2.61 2.01 -1.26 -1.01 115.64 120.59 1bve s THR 74 Ca 0.04 -0.78 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 1bve s THR 74 Cb -0.00 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1bve s THR 74 CO -0.00 -0.73 0.26 -0.69 -0.69 0.00 0.00 174.62 172.76 1bve s VAL 75 N 2.20 5.22 -0.13 3.82 1.01 -0.49 -2.80 120.40 129.24 1bve s VAL 75 Ca 0.10 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1bve s VAL 75 Cb -0.22 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1bve s VAL 75 CO 0.09 -0.11 0.89 -0.76 0.00 0.00 0.00 175.10 175.21 1bve s LEU 76 N 1.70 4.23 -0.38 3.92 1.02 -0.25 -1.62 118.68 127.30 1bve s LEU 76 Ca 0.06 1.33 -0.11 0.00 0.02 0.00 0.00 54.13 55.42 1bve s LEU 76 Cb -0.18 -3.35 0.02 0.00 0.02 0.00 0.00 46.19 42.70 1bve s LEU 76 CO 0.10 -0.38 0.21 -0.69 0.02 0.00 0.00 176.35 175.62 1bve s VAL 77 N 1.90 4.65 0.05 -1.59 1.01 -0.98 0.80 120.40 126.24 1bve s VAL 77 Ca 0.43 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1bve s VAL 77 Cb -0.18 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 1bve s VAL 77 CO 0.16 -0.23 0.06 0.61 0.00 0.00 0.00 175.10 175.70 1bve n GLY 78 N 5.01 3.29 1.68 4.51 0.00 -0.72 -0.04 105.19 118.94 1bve n GLY 78 Ca -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.09 1.35 -2.85 1.61 -0.04 -1.20 0.22 135.00 134.01 1bve n PRO 79 Ca 0.00 -0.47 -0.38 0.00 -0.04 0.00 0.00 63.50 62.61 1bve n PRO 79 Cb 0.09 -1.32 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 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 -0.14 4.23 -1.31 0.52 -1.32 -1.26 -4.93 115.64 111.44 1bve s THR 80 Ca 0.20 1.84 0.00 0.00 -1.21 0.00 0.00 61.69 62.51 1bve s THR 80 Cb 0.11 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.96 1bve s THR 80 CO -0.01 0.36 0.64 -0.81 -2.21 0.00 0.00 174.62 172.59 1bve n PRO 81 N 1.13 0.99 -3.67 7.08 -0.04 -1.26 -4.01 135.00 135.21 1bve n PRO 81 Ca -0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.36 1bve n PRO 81 Cb 0.49 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.31 0.00 -0.59 0.52 1.01 -1.26 -5.03 120.40 113.74 1bve s VAL 82 Ca 0.00 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 1bve s VAL 82 Cb 0.00 -1.59 0.15 0.00 0.00 0.00 0.00 36.38 34.94 1bve s VAL 82 CO 0.00 0.00 0.50 0.20 0.00 0.00 0.00 175.10 175.80 1bve s ASN 83 N -2.84 6.05 -0.34 3.32 -0.87 -1.26 -2.63 114.94 116.37 1bve s ASN 83 Ca 0.07 -2.16 -0.26 0.00 -1.57 0.00 0.00 52.86 48.94 1bve s ASN 83 Cb -0.04 -2.10 0.01 0.00 -0.02 0.00 0.00 41.25 39.11 1bve s ASN 83 CO -0.01 -0.68 0.95 -0.63 -2.57 0.00 0.00 177.10 174.16 1bve s ILE 84 N 1.01 4.59 -0.82 0.60 -1.09 0.60 -1.08 121.20 125.02 1bve s ILE 84 Ca 0.09 1.36 -0.17 0.00 -2.23 0.00 0.00 60.65 59.71 1bve s ILE 84 Cb -0.23 -4.33 0.16 0.00 -1.58 0.00 0.00 42.46 36.48 1bve s ILE 84 CO -0.02 -0.48 0.89 -0.63 -1.23 0.00 0.00 174.94 173.48 1bve s ILE 85 N 3.46 5.12 0.00 2.92 -1.09 -1.19 -0.69 121.20 129.73 1bve s ILE 85 Ca 0.40 -1.85 0.00 0.00 -2.23 0.00 0.00 60.65 56.97 1bve s ILE 85 Cb -0.12 -4.59 0.00 0.00 -1.58 0.00 0.00 42.46 36.17 1bve s ILE 85 CO 0.17 -1.23 0.00 0.61 -1.23 0.00 0.00 174.94 173.26 1bve n GLY 86 N 4.81 -0.72 0.24 6.18 0.00 0.21 -0.91 105.19 115.00 1bve n GLY 86 Ca 0.13 -1.53 -0.09 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 0.68 -1.19 1.61 2.47 -1.35 -0.65 114.38 115.96 1bve h ARG 87 Ca 0.00 -0.35 0.34 0.00 -1.26 0.00 0.00 59.98 58.71 1bve h ARG 87 Cb 0.00 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.28 1bve h ARG 87 CO 0.00 0.96 0.93 -2.95 0.56 0.00 0.00 179.97 179.47 1bve h ASN 88 N 0.56 0.00 0.00 7.04 -1.07 -1.56 -1.90 115.58 118.66 1bve h ASN 88 Ca 0.05 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.25 1bve h ASN 88 Cb 0.93 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.15 1bve h ASN 88 CO 0.08 0.00 -1.63 0.18 0.07 0.00 0.00 177.43 176.13 1bve n LEU 89 N -3.97 0.29 0.15 6.14 7.99 -1.09 -4.33 117.00 122.18 1bve n LEU 89 Ca 0.26 -0.01 0.07 0.00 -0.01 0.00 0.00 56.01 56.33 1bve n LEU 89 Cb 1.32 0.16 0.57 0.00 -0.11 0.00 0.00 43.42 45.36 1bve n LEU 89 CO 0.37 0.27 1.11 -0.07 -1.51 0.00 0.00 177.39 177.57 1bve h LEU 90 N 0.00 0.17 -0.17 2.23 3.38 -0.37 0.21 115.31 120.76 1bve h LEU 90 Ca -0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1bve h LEU 90 Cb 1.55 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 1bve h LEU 90 CO 0.01 0.12 -0.07 0.71 0.09 0.00 0.00 178.44 179.30 1bve h THR 91 N 0.20 0.12 -0.36 0.22 1.35 -1.62 -0.39 112.91 112.42 1bve h THR 91 Ca 0.07 -1.10 -0.15 0.00 -0.55 0.00 0.00 66.41 64.68 1bve h THR 91 Cb 0.05 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1bve h THR 91 CO -0.01 0.06 -0.36 1.56 -0.25 0.00 0.00 175.52 176.52 1bve h GLN 92 N 0.00 0.89 -0.00 4.72 1.08 -1.15 -2.39 115.11 118.26 1bve h GLN 92 Ca -0.00 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1bve h GLN 92 Cb 0.99 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 1bve h GLN 92 CO 0.01 1.11 -0.13 0.44 -0.95 0.00 0.00 178.83 179.31 1bve n ILE 93 N -4.11 0.00 -2.22 2.54 -5.35 -1.11 -4.94 119.36 104.17 1bve n ILE 93 Ca -0.03 -0.03 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 1bve n ILE 93 Cb 0.53 -0.20 0.02 0.00 -1.74 0.00 0.00 39.64 38.25 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 1.38 -0.18 3.83 3.28 0.00 -0.90 -5.01 105.19 107.58 1bve n GLY 94 Ca 0.11 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.12 3.22 -0.03 4.61 0.00 -0.20 -5.01 121.76 121.23 1bve s ALA 95 Ca 0.14 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1bve s ALA 95 Cb -0.02 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1bve s ALA 95 CO 0.31 0.25 -0.00 0.95 0.00 0.00 0.00 175.76 177.27 1bve s THR 96 N -1.97 0.21 -0.90 0.00 -4.23 -1.26 -4.92 115.64 102.57 1bve s THR 96 Ca 0.55 0.07 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 1bve s THR 96 Cb -0.11 -0.30 0.20 0.00 1.34 0.00 0.00 72.50 73.63 1bve s THR 96 CO 0.17 0.15 0.93 -0.76 -0.54 0.00 0.00 174.62 174.57 1bve s LEU 97 N 1.01 6.17 -0.24 4.79 1.02 -1.26 -5.01 118.68 125.16 1bve s LEU 97 Ca -0.10 -2.61 -0.17 0.00 0.02 0.00 0.00 54.13 51.27 1bve s LEU 97 Cb -0.14 -2.27 -0.03 0.00 0.02 0.00 0.00 46.19 43.77 1bve s LEU 97 CO -0.02 -0.69 0.45 0.20 0.02 0.00 0.00 176.35 176.32 1bve s ASN 98 N 2.52 6.40 0.00 2.29 0.02 -1.26 -5.31 114.94 119.60 1bve s ASN 98 Ca 0.24 0.47 0.00 0.00 -1.02 0.00 0.00 52.86 52.56 1bve s ASN 98 Cb -0.08 -2.25 0.00 0.00 0.02 0.00 0.00 41.25 38.94 1bve s ASN 98 CO -0.09 -0.20 0.28 2.22 0.02 0.00 0.00 177.10 179.33