#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 4.38 -0.29 -0.52 0.74 -1.26 -5.01 119.66 117.71 1bve s GLN 2 Ca 0.00 1.09 0.01 0.00 0.05 0.00 0.00 55.36 56.51 1bve s GLN 2 Cb 0.00 -3.52 0.06 0.00 1.10 0.00 0.00 33.01 30.65 1bve s GLN 2 CO 0.00 -0.19 -0.04 0.08 -0.55 0.00 0.00 175.29 174.58 1bve s VAL 3 N 1.65 2.47 -0.28 1.34 1.01 -1.26 -4.94 120.40 120.38 1bve s VAL 3 Ca 0.41 -1.67 0.16 0.00 0.00 0.00 0.00 61.98 60.88 1bve s VAL 3 Cb -0.18 -2.50 0.48 0.00 0.00 0.00 0.00 36.38 34.19 1bve s VAL 3 CO 0.17 -0.15 1.13 0.35 0.00 0.00 0.00 175.10 176.60 1bve n THR 4 N 4.47 1.77 -1.01 3.92 -2.24 -1.26 -4.87 114.28 115.06 1bve n THR 4 Ca -0.11 -3.50 -0.17 0.00 -2.27 0.00 0.00 64.05 58.00 1bve n THR 4 Cb 0.42 0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1bve n THR 4 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1bve n LEU 5 N -0.60 6.30 -2.34 3.22 -0.00 -1.26 -4.85 117.00 117.47 1bve n LEU 5 Ca 0.22 -3.40 0.00 0.00 -0.00 0.00 0.00 56.01 52.83 1bve n LEU 5 Cb 0.86 -1.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 1bve n LEU 5 CO 0.22 1.36 0.00 0.79 -0.00 0.00 0.00 177.39 179.76 1bve n TRP 6 N 0.72 0.00 -3.71 1.96 7.02 -1.26 -4.77 117.44 117.40 1bve n TRP 6 Ca 0.33 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.71 1bve n TRP 6 Cb 0.59 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.44 1bve n TRP 6 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1bve s GLN 7 N -2.84 1.33 -0.13 -0.99 -0.21 -1.26 -5.10 119.66 110.46 1bve s GLN 7 Ca 0.00 -0.83 -0.35 0.00 0.02 0.00 0.00 55.36 54.20 1bve s GLN 7 Cb 0.00 0.51 -0.12 0.00 1.00 0.00 0.00 33.01 34.41 1bve s GLN 7 CO 0.00 -0.56 1.89 0.54 -2.12 0.00 0.00 175.29 175.05 1bve n ARG 8 N -0.33 2.00 -2.08 2.91 1.74 -1.26 -4.83 116.66 114.82 1bve n ARG 8 Ca -0.11 0.72 -0.41 0.00 -0.77 0.00 0.00 57.85 57.28 1bve n ARG 8 Cb 0.63 -2.59 -0.01 0.00 -1.02 0.00 0.00 32.46 29.47 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 6.67 2.80 -1.85 5.56 -0.04 -1.26 -4.97 135.00 141.90 1bve n PRO 9 Ca 0.24 -2.82 -0.30 0.00 -0.04 0.00 0.00 63.50 60.58 1bve n PRO 9 Cb 0.28 -3.38 0.05 0.00 -0.04 0.00 0.00 33.50 30.41 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 3.66 2.84 -0.15 1.53 1.02 -1.26 -2.74 118.68 123.59 1bve s LEU 10 Ca 0.52 1.12 -0.07 0.00 0.02 0.00 0.00 54.13 55.73 1bve s LEU 10 Cb 0.09 -3.88 0.06 0.00 0.02 0.00 0.00 46.19 42.48 1bve s LEU 10 CO 0.02 -1.44 0.34 0.68 0.02 0.00 0.00 176.35 175.96 1bve s VAL 11 N -3.36 -0.14 -0.81 -1.59 -7.23 -0.16 -4.89 120.40 102.23 1bve s VAL 11 Ca 0.59 0.14 -0.25 0.00 -1.81 0.00 0.00 61.98 60.65 1bve s VAL 11 Cb -0.11 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.22 1bve s VAL 11 CO 0.52 0.06 2.19 -0.89 -0.31 0.00 0.00 175.10 176.67 1bve s THR 12 N 1.60 3.21 0.43 5.32 2.01 -1.26 -1.48 115.64 125.46 1bve s THR 12 Ca -0.07 -0.15 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 1bve s THR 12 Cb -0.10 -3.48 -0.11 0.00 0.01 0.00 0.00 72.50 68.83 1bve s THR 12 CO -0.11 -0.45 0.96 0.27 -0.69 0.00 0.00 174.62 174.60 1bve s ILE 13 N 12.42 4.34 -0.54 1.82 -4.36 -0.58 -4.39 121.20 129.92 1bve s ILE 13 Ca 0.82 1.49 0.01 0.00 -0.26 0.00 0.00 60.65 62.71 1bve s ILE 13 Cb -0.11 -3.61 0.14 0.00 1.25 0.00 0.00 42.46 40.13 1bve s ILE 13 CO 0.06 -0.29 0.31 -0.75 0.24 0.00 0.00 174.94 174.51 1bve s LYS 14 N -3.12 2.15 -0.05 0.37 2.20 -0.88 -2.61 119.74 117.80 1bve s LYS 14 Ca 0.62 -2.52 0.04 0.00 -0.36 0.00 0.00 55.97 53.75 1bve s LYS 14 Cb -0.10 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1bve s LYS 14 CO 0.14 -1.12 -0.15 0.42 -0.36 0.00 0.00 175.35 174.28 1bve s ILE 15 N -0.09 2.98 -1.41 5.43 1.01 -0.92 -2.38 121.20 125.82 1bve s ILE 15 Ca 0.16 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1bve s ILE 15 Cb -0.23 -2.16 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1bve s ILE 15 CO -0.02 0.59 0.44 0.61 0.00 0.00 0.00 174.94 176.56 1bve n GLY 16 N 2.33 -0.23 3.72 6.18 0.00 -1.26 -0.07 105.19 115.85 1bve n GLY 16 Ca -0.17 0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.95 -0.49 3.35 -0.02 0.00 -1.26 -4.89 105.19 99.93 1bve n GLY 17 Ca -0.30 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -6.41 1.44 -0.03 1.61 -1.52 0.90 -5.13 119.66 110.52 1bve s GLN 18 Ca 0.57 -1.77 0.00 0.00 -1.95 0.00 0.00 55.36 52.22 1bve s GLN 18 Cb -0.29 -0.54 0.03 0.00 -0.22 0.00 0.00 33.01 31.99 1bve s GLN 18 CO 0.71 -0.20 0.00 -0.51 -0.25 0.00 0.00 175.29 175.04 1bve s LEU 19 N -3.35 1.11 0.06 2.90 1.43 -1.26 -2.15 118.68 117.41 1bve s LEU 19 Ca 0.34 -0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.26 1bve s LEU 19 Cb 0.07 -0.24 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1bve s LEU 19 CO 0.12 -0.11 0.34 -0.54 0.23 0.00 0.00 176.35 176.39 1bve s LYS 20 N 1.10 0.88 -0.57 1.70 1.02 -1.07 -4.97 119.74 117.83 1bve s LYS 20 Ca -0.09 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 1bve s LYS 20 Cb -0.13 0.38 0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1bve s LYS 20 CO -0.02 -0.30 1.20 -1.21 -0.92 0.00 0.00 175.35 174.10 1bve s GLU 21 N -2.78 3.53 -0.02 1.68 8.01 -1.26 -1.52 118.70 126.33 1bve s GLU 21 Ca -0.03 0.29 -0.22 0.00 0.01 0.00 0.00 54.97 55.02 1bve s GLU 21 Cb -0.00 -4.01 -0.05 0.00 -4.31 0.00 0.00 34.13 25.76 1bve s GLU 21 CO -0.05 -1.66 0.65 0.00 0.01 0.00 0.00 175.26 174.21 1bve s ALA 22 N 4.95 3.41 -0.71 5.21 0.00 -0.55 -4.36 121.76 129.71 1bve s ALA 22 Ca 0.44 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 52.26 1bve s ALA 22 Cb -0.08 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.25 1bve s ALA 22 CO 0.26 0.05 1.07 -1.17 0.00 0.00 0.00 175.76 175.97 1bve s LEU 23 N 0.22 4.09 -0.88 0.00 2.96 0.33 -0.99 118.68 124.41 1bve s LEU 23 Ca 0.34 -0.94 -0.25 0.00 -0.22 0.00 0.00 54.13 53.06 1bve s LEU 23 Cb -0.18 -2.46 -0.21 0.00 0.50 0.00 0.00 46.19 43.84 1bve s LEU 23 CO 0.18 -1.52 2.52 0.18 -1.32 0.00 0.00 176.35 176.39 1bve n LEU 24 N 8.10 0.47 -4.32 -0.68 4.77 -1.11 -3.08 117.00 121.15 1bve n LEU 24 Ca 0.01 -0.23 -0.47 0.00 -0.03 0.00 0.00 56.01 55.30 1bve n LEU 24 Cb 0.47 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 1bve n LEU 24 CO 0.65 -1.18 0.41 -0.62 -1.33 0.00 0.00 177.39 175.32 1bve s ASP 25 N 8.07 6.71 0.35 -1.43 -1.08 -0.35 -4.85 116.67 124.10 1bve s ASP 25 Ca 1.24 -2.68 0.27 0.00 -0.52 0.00 0.00 52.55 50.86 1bve s ASP 25 Cb -0.88 -2.20 1.07 0.00 -1.46 0.00 0.00 42.92 39.45 1bve s ASP 25 CO 0.43 -0.57 1.80 0.74 0.52 0.00 0.00 175.17 178.09 1bve h THR 26 N 4.82 0.00 -0.14 1.71 2.02 -1.87 -2.77 112.91 116.66 1bve h THR 26 Ca 0.09 -0.36 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1bve h THR 26 Cb 1.04 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1bve h THR 26 CO 0.76 0.00 -0.47 1.23 0.37 0.00 0.00 175.52 177.41 1bve h GLY 27 N 2.41 0.39 -1.79 2.16 0.00 -1.90 -3.43 103.07 100.92 1bve h GLY 27 Ca 0.00 -0.41 -0.47 0.00 0.00 0.00 0.00 47.33 46.45 1bve h GLY 27 CO 0.00 0.37 0.36 0.00 0.00 0.00 0.00 176.54 177.27 1bve s ALA 28 N -4.06 3.08 -0.75 3.60 0.00 -1.05 -4.97 121.76 117.62 1bve s ALA 28 Ca -0.05 0.17 0.23 0.00 0.00 0.00 0.00 51.96 52.30 1bve s ALA 28 Cb 0.13 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.27 1bve s ALA 28 CO 0.80 -0.22 1.10 -0.25 0.00 0.00 0.00 175.76 177.19 1bve n ASP 29 N -1.55 0.64 -2.71 0.00 8.00 -1.26 -1.93 116.55 117.73 1bve n ASP 29 Ca 0.06 -0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.12 1bve n ASP 29 Cb 0.54 0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 42.28 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 -1.80 0.93 -4.12 -2.24 9.92 -1.26 -1.57 116.55 116.41 1bve n ASP 30 Ca 0.03 -2.18 -0.37 0.00 -0.53 0.00 0.00 54.79 51.73 1bve n ASP 30 Cb 0.40 0.60 -0.08 0.00 -0.64 0.00 0.00 41.12 41.40 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 -2.42 4.07 0.87 -3.53 2.01 -1.14 0.16 115.64 115.66 1bve s THR 31 Ca 0.12 -3.14 -0.12 0.00 0.31 0.00 0.00 61.69 58.86 1bve s THR 31 Cb 0.01 -3.60 0.11 0.00 0.01 0.00 0.00 72.50 69.03 1bve s THR 31 CO 0.09 -0.95 1.10 0.54 -0.69 0.00 0.00 174.62 174.71 1bve s VAL 32 N -0.37 2.65 -0.28 3.82 0.11 -0.00 -0.84 120.40 125.48 1bve s VAL 32 Ca 0.20 0.21 -0.18 0.00 -2.93 0.00 0.00 61.98 59.28 1bve s VAL 32 Cb -0.16 -2.86 0.10 0.00 -1.53 0.00 0.00 36.38 31.93 1bve s VAL 32 CO -0.06 -0.27 0.81 -0.76 -3.33 0.00 0.00 175.10 171.49 1bve s LEU 33 N -6.02 -0.75 0.99 2.54 1.02 0.34 -1.25 118.68 115.56 1bve s LEU 33 Ca 0.63 1.24 -0.17 0.00 0.02 0.00 0.00 54.13 55.85 1bve s LEU 33 Cb -0.16 2.16 -0.12 0.00 0.02 0.00 0.00 46.19 48.09 1bve s LEU 33 CO 0.55 -0.20 -0.62 1.21 0.02 0.00 0.00 176.35 177.31 1bve n GLU 34 N 3.75 -0.06 -1.86 1.70 2.13 -1.05 -1.86 120.64 123.39 1bve n GLU 34 Ca -0.18 -0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.22 1bve n GLU 34 Cb 0.58 -1.15 -0.01 0.00 0.27 0.00 0.00 31.44 31.12 1bve n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1bve s GLU 35 N -2.29 4.16 0.00 5.31 2.02 0.42 -4.26 118.70 124.06 1bve s GLU 35 Ca 0.43 2.50 0.00 0.00 0.02 0.00 0.00 54.97 57.92 1bve s GLU 35 Cb -0.18 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1bve s GLU 35 CO 0.80 -0.52 0.00 0.00 0.02 0.00 0.00 175.26 175.55 1bve n MET 36 N 1.50 0.00 -3.35 1.61 0.00 -1.26 -4.98 117.12 110.64 1bve n MET 36 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.33 1bve n MET 36 Cb 0.39 0.00 -0.09 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 0.41 6.20 0.30 3.17 0.15 -1.26 -5.04 113.70 117.62 1bve s SER 37 Ca 0.00 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.21 1bve s SER 37 Cb 0.00 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1bve s SER 37 CO 0.00 -0.48 0.14 -0.11 1.20 0.00 0.00 173.24 173.99 1bve n LEU 38 N 5.53 0.00 0.00 3.45 7.94 -1.26 -4.74 117.00 127.91 1bve n LEU 38 Ca -0.08 -2.40 -0.29 0.00 -1.11 0.00 0.00 56.01 52.13 1bve n LEU 38 Cb 0.48 0.94 0.22 0.00 0.53 0.00 0.00 43.42 45.59 1bve n LEU 38 CO 0.44 -0.38 0.78 -0.81 -1.11 0.00 0.00 177.39 176.31 1bve n PRO 39 N -0.64 -1.94 -1.04 1.96 -0.04 -1.26 -4.97 135.00 127.07 1bve n PRO 39 Ca -0.01 -1.93 -0.15 0.00 -0.04 0.00 0.00 63.50 61.37 1bve n PRO 39 Cb 0.47 -1.45 0.19 0.00 -0.04 0.00 0.00 33.50 32.66 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 -4.00 4.70 2.85 0.55 0.00 -1.26 -4.63 105.19 103.40 1bve n GLY 40 Ca 0.16 -1.16 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.14 3.16 -2.76 1.61 5.12 -1.26 -5.04 116.66 116.35 1bve n ARG 41 Ca 0.48 -4.84 -0.09 0.00 -1.93 0.00 0.00 57.85 51.47 1bve n ARG 41 Cb 1.38 -2.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.41 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1bve n TRP 42 N -0.06 0.29 -4.21 -1.55 4.27 -1.26 -4.85 117.44 110.07 1bve n TRP 42 Ca 0.31 -0.73 -0.22 0.00 -3.89 0.00 0.00 57.50 52.98 1bve n TRP 42 Cb 0.39 -0.08 -0.17 0.00 -1.36 0.00 0.00 31.31 30.10 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 -2.51 1.06 0.22 -2.67 1.02 -1.16 -4.92 119.74 110.77 1bve s LYS 43 Ca 0.01 -0.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 1bve s LYS 43 Cb 0.00 -1.03 -0.08 0.00 -0.52 0.00 0.00 37.83 36.20 1bve s LYS 43 CO 0.01 -0.09 1.06 -1.25 -0.92 0.00 0.00 175.35 174.16 1bve s PRO 44 N 1.00 4.67 0.35 -1.68 0.04 -1.26 -0.54 135.00 137.58 1bve s PRO 44 Ca -0.09 1.68 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1bve s PRO 44 Cb -0.14 -3.25 0.04 0.00 0.04 0.00 0.00 34.50 31.18 1bve s PRO 44 CO -0.00 0.23 0.66 0.36 0.04 0.00 0.00 177.00 178.28 1bve n LYS 45 N 1.81 0.95 -3.78 4.56 2.85 -1.10 -4.93 118.16 118.50 1bve n LYS 45 Ca 0.00 -2.18 -0.22 0.00 -1.05 0.00 0.00 58.31 54.86 1bve n LYS 45 Cb 0.46 2.54 -0.17 0.00 -0.65 0.00 0.00 35.03 37.21 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 -2.25 0.46 0.22 -1.58 -1.94 -1.26 -1.44 119.30 111.51 1bve s MET 46 Ca 0.18 0.15 -0.14 0.00 -1.71 0.00 0.00 55.69 54.16 1bve s MET 46 Cb -0.04 -0.83 -0.08 0.00 2.01 0.00 0.00 34.83 35.89 1bve s MET 46 CO 0.13 -0.28 0.62 0.96 -0.01 0.00 0.00 175.02 176.44 1bve s ILE 47 N 1.89 4.78 -0.40 2.53 -4.36 -0.93 -4.84 121.20 119.86 1bve s ILE 47 Ca 0.03 0.86 0.02 0.00 -0.26 0.00 0.00 60.65 61.30 1bve s ILE 47 Cb -0.12 -3.71 0.11 0.00 1.25 0.00 0.00 42.46 39.99 1bve s ILE 47 CO -0.04 0.08 0.15 -0.83 0.24 0.00 0.00 174.94 174.53 1bve s GLY 48 N -1.96 2.06 0.00 6.27 0.00 -1.26 -1.89 107.32 110.53 1bve s GLY 48 Ca 0.44 -2.69 0.00 0.00 0.00 0.00 0.00 44.72 42.47 1bve s GLY 48 CO 0.20 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.89 1bve n GLY 49 N 4.13 3.26 3.57 0.20 0.00 -0.99 -4.99 105.19 110.38 1bve n GLY 49 Ca 0.03 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 3.91 4.44 0.00 -0.61 1.01 -1.26 -3.74 121.20 124.95 1bve s ILE 50 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1bve s ILE 50 Cb 0.00 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 38.02 1bve s ILE 50 CO 0.00 -0.83 0.00 0.61 0.00 0.00 0.00 174.94 174.72 1bve n GLY 51 N 4.86 1.65 0.00 6.18 0.00 -1.26 -5.02 105.19 111.61 1bve n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.42 0.73 3.29 -0.02 0.00 -1.25 -5.05 105.19 102.47 1bve n GLY 52 Ca 0.00 -1.86 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.50 2.75 0.57 1.61 0.40 -1.26 -2.34 117.98 117.21 1bve s PHE 53 Ca 0.00 -0.93 0.08 0.00 -0.60 0.00 0.00 56.93 55.48 1bve s PHE 53 Cb 0.00 -1.85 0.08 0.00 0.51 0.00 0.00 43.02 41.76 1bve s PHE 53 CO 0.00 -0.39 0.67 0.96 0.70 0.00 0.00 175.22 177.16 1bve s ILE 54 N 0.61 1.92 0.05 0.64 -4.36 -0.79 -4.88 121.20 114.39 1bve s ILE 54 Ca -0.09 -1.17 0.07 0.00 -0.26 0.00 0.00 60.65 59.21 1bve s ILE 54 Cb -0.16 -2.09 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 1bve s ILE 54 CO 0.03 0.00 -0.18 -0.54 0.24 0.00 0.00 174.94 174.49 1bve s LYS 55 N -4.55 2.05 0.01 0.37 1.02 -1.26 -2.20 119.74 115.18 1bve s LYS 55 Ca 0.52 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.52 1bve s LYS 55 Cb -0.04 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1bve s LYS 55 CO 0.33 0.53 0.01 1.33 -0.92 0.00 0.00 175.35 176.64 1bve n VAL 56 N 1.47 0.00 -3.64 3.17 0.24 -0.52 -3.50 118.33 115.55 1bve n VAL 56 Ca -0.16 -0.07 -0.29 0.00 -2.04 0.00 0.00 64.34 61.78 1bve n VAL 56 Cb 0.52 0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.79 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 -2.03 0.82 -0.67 7.34 0.52 0.31 -2.71 118.95 122.52 1bve s ARG 57 Ca 0.01 -1.39 -0.27 0.00 -0.52 0.00 0.00 55.73 53.56 1bve s ARG 57 Cb -0.00 -1.87 -0.12 0.00 0.52 0.00 0.00 34.95 33.48 1bve s ARG 57 CO 0.01 -1.10 2.50 0.94 0.02 0.00 0.00 175.30 177.67 1bve n GLN 58 N 4.26 0.68 -3.26 3.54 7.27 0.29 -2.38 117.38 127.79 1bve n GLN 58 Ca 0.04 -0.03 -0.46 0.00 0.07 0.00 0.00 57.00 56.63 1bve n GLN 58 Cb 0.38 -2.82 -0.01 0.00 2.41 0.00 0.00 30.24 30.20 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 11.17 3.91 0.21 3.69 2.02 -0.79 -2.97 117.35 134.58 1bve s TYR 59 Ca 1.10 -2.26 -0.30 0.00 -0.37 0.00 0.00 57.07 55.25 1bve s TYR 59 Cb -0.52 -3.92 -0.08 0.00 -0.40 0.00 0.00 41.96 37.04 1bve s TYR 59 CO 0.33 -1.06 1.00 -0.51 -1.57 0.00 0.00 175.55 173.75 1bve s ASP 60 N 1.99 7.48 0.00 2.29 1.11 -1.26 -1.84 116.67 126.43 1bve s ASP 60 Ca 0.27 2.00 0.00 0.00 0.18 0.00 0.00 52.55 55.00 1bve s ASP 60 Cb -0.09 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.29 1bve s ASP 60 CO -0.08 -0.02 0.00 0.00 1.18 0.00 0.00 175.17 176.26 1bve n GLN 61 N 1.90 0.00 -4.26 8.23 1.13 0.22 -4.97 117.38 119.64 1bve n GLN 61 Ca 0.00 0.11 -0.29 0.00 -1.94 0.00 0.00 57.00 54.88 1bve n GLN 61 Cb 0.47 -1.44 -0.17 0.00 0.11 0.00 0.00 30.24 29.21 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bve s ILE 62 N -2.96 1.54 -1.04 5.09 -1.09 -0.62 -4.83 121.20 117.30 1bve s ILE 62 Ca 0.00 -0.64 -0.23 0.00 -2.23 0.00 0.00 60.65 57.55 1bve s ILE 62 Cb 0.00 -1.43 -0.01 0.00 -1.58 0.00 0.00 42.46 39.45 1bve s ILE 62 CO 0.00 0.45 1.76 -0.22 -1.23 0.00 0.00 174.94 175.70 1bve s LEU 63 N 1.22 3.34 -0.24 2.97 2.96 -1.25 -1.77 118.68 125.91 1bve s LEU 63 Ca -0.01 -1.31 -0.23 0.00 -0.22 0.00 0.00 54.13 52.36 1bve s LEU 63 Cb -0.14 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1bve s LEU 63 CO -0.06 -2.20 0.73 -0.51 -1.32 0.00 0.00 176.35 173.00 1bve s ILE 64 N 7.83 4.91 -0.41 6.68 2.07 0.60 -4.40 121.20 138.47 1bve s ILE 64 Ca 0.60 1.36 -0.22 0.00 -1.41 0.00 0.00 60.65 60.98 1bve s ILE 64 Cb -0.02 -4.03 0.02 0.00 0.13 0.00 0.00 42.46 38.56 1bve s ILE 64 CO -0.00 -0.02 0.72 -0.70 -1.91 0.00 0.00 174.94 173.03 1bve s GLU 65 N 2.63 3.49 -0.20 3.50 2.12 -1.00 -1.92 118.70 127.32 1bve s GLU 65 Ca 0.31 -0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.52 1bve s GLU 65 Cb -0.15 -3.89 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 1bve s GLU 65 CO 0.08 -0.97 0.03 0.42 -0.54 0.00 0.00 175.26 174.27 1bve s ILE 66 N 3.04 4.26 -0.26 -3.70 1.09 -0.72 -2.08 121.20 122.84 1bve s ILE 66 Ca 0.27 -0.21 0.00 0.00 -1.10 0.00 0.00 60.65 59.61 1bve s ILE 66 Cb -0.13 -2.93 0.00 0.00 -1.06 0.00 0.00 42.46 38.34 1bve s ILE 66 CO 0.19 0.43 0.00 0.00 -0.10 0.00 0.00 174.94 175.46 1bve n GLY 68 N -0.20 0.60 3.44 0.00 0.00 -1.26 -5.06 105.19 102.70 1bve n GLY 68 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 3.10 0.35 1.61 3.76 -0.63 -5.06 115.29 116.42 1bve s HIS 69 Ca 0.00 -0.48 -0.28 0.00 -0.15 0.00 0.00 55.06 54.14 1bve s HIS 69 Cb 0.00 -2.25 -0.11 0.00 1.11 0.00 0.00 32.58 31.33 1bve s HIS 69 CO 0.00 -0.39 1.42 0.15 -0.85 0.00 0.00 174.74 175.07 1bve s LYS 70 N 1.61 4.21 -0.11 1.40 3.01 -1.26 -1.76 119.74 126.83 1bve s LYS 70 Ca 0.06 2.43 -0.15 0.00 -1.01 0.00 0.00 55.97 57.30 1bve s LYS 70 Cb -0.15 -3.01 0.04 0.00 -1.01 0.00 0.00 37.83 33.69 1bve s LYS 70 CO 0.04 -0.40 0.39 0.00 0.51 0.00 0.00 175.35 175.89 1bve s ALA 71 N -1.07 -0.99 -0.06 5.17 0.00 -0.81 -4.90 121.76 119.10 1bve s ALA 71 Ca 0.52 0.94 0.03 0.00 0.00 0.00 0.00 51.96 53.44 1bve s ALA 71 Cb -0.44 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1bve s ALA 71 CO 0.58 -0.22 -0.12 0.42 0.00 0.00 0.00 175.76 176.42 1bve s ILE 72 N -0.26 3.23 0.00 0.00 1.01 -1.26 0.22 121.20 124.14 1bve s ILE 72 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1bve s ILE 72 Cb -0.03 -2.29 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1bve s ILE 72 CO 0.02 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1bve n GLY 73 N 2.41 2.70 3.43 6.18 0.00 -0.73 -4.80 105.19 114.39 1bve n GLY 73 Ca -0.17 -0.71 -0.43 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 -2.69 5.23 -0.39 2.61 2.01 -1.26 -0.61 115.64 120.55 1bve s THR 74 Ca 0.00 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 1bve s THR 74 Cb 0.00 -4.00 0.06 0.00 0.01 0.00 0.00 72.50 68.57 1bve s THR 74 CO 0.00 -0.41 0.22 -0.69 -0.69 0.00 0.00 174.62 173.05 1bve s VAL 75 N 1.66 4.24 -0.02 3.82 1.01 -0.77 -2.88 120.40 127.46 1bve s VAL 75 Ca 0.05 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 1bve s VAL 75 Cb -0.21 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1bve s VAL 75 CO 0.09 -0.39 1.04 -0.76 0.00 0.00 0.00 175.10 175.09 1bve s LEU 76 N 1.45 4.33 -0.20 3.92 1.02 -0.02 -1.88 118.68 127.30 1bve s LEU 76 Ca 0.02 1.70 -0.02 0.00 0.02 0.00 0.00 54.13 55.85 1bve s LEU 76 Cb -0.21 -3.57 -0.00 0.00 0.02 0.00 0.00 46.19 42.43 1bve s LEU 76 CO 0.03 -0.37 -0.10 -0.69 0.02 0.00 0.00 176.35 175.25 1bve s VAL 77 N 1.38 2.96 0.00 -1.59 1.01 -1.00 0.13 120.40 123.28 1bve s VAL 77 Ca 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1bve s VAL 77 Cb -0.22 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.84 1bve s VAL 77 CO 0.25 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.43 1bve n GLY 78 N 4.68 3.42 1.51 4.51 0.00 -0.77 0.11 105.19 118.64 1bve n GLY 78 Ca -0.19 -0.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 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 1.26 -2.76 1.61 -0.04 -1.23 0.16 135.00 134.00 1bve n PRO 79 Ca 0.00 -0.53 -0.41 0.00 -0.04 0.00 0.00 63.50 62.52 1bve n PRO 79 Cb 0.00 -1.21 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.72 4.53 -1.14 0.52 -1.32 -1.26 -4.91 115.64 111.34 1bve s THR 80 Ca 0.10 2.02 0.00 0.00 -1.21 0.00 0.00 61.69 62.60 1bve s THR 80 Cb 0.08 -4.30 0.00 0.00 -1.51 0.00 0.00 72.50 66.77 1bve s THR 80 CO 0.00 0.32 0.50 -0.81 -2.21 0.00 0.00 174.62 172.42 1bve n PRO 81 N 2.80 0.87 -3.44 7.08 -0.04 -1.26 -3.30 135.00 137.70 1bve n PRO 81 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 1bve n PRO 81 Cb 0.49 -1.37 -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 -1.14 0.00 -0.95 0.52 1.01 -1.26 -4.99 120.40 113.59 1bve s VAL 82 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1bve s VAL 82 Cb 0.00 -1.03 0.24 0.00 0.00 0.00 0.00 36.38 35.59 1bve s VAL 82 CO 0.00 0.00 0.91 0.20 0.00 0.00 0.00 175.10 176.21 1bve s ASN 83 N -2.72 7.00 -0.18 3.32 0.01 -1.26 -2.54 114.94 118.56 1bve s ASN 83 Ca 0.02 -3.06 -0.26 0.00 -0.71 0.00 0.00 52.86 48.84 1bve s ASN 83 Cb -0.01 -2.21 -0.01 0.00 0.41 0.00 0.00 41.25 39.43 1bve s ASN 83 CO -0.12 -0.46 0.89 -0.63 -1.51 0.00 0.00 177.10 175.27 1bve s ILE 84 N -0.40 4.83 -0.54 0.60 1.01 -0.38 -0.51 121.20 125.80 1bve s ILE 84 Ca 0.23 1.74 -0.18 0.00 0.00 0.00 0.00 60.65 62.44 1bve s ILE 84 Cb -0.10 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.27 1bve s ILE 84 CO -0.09 -0.03 0.61 -0.63 0.00 0.00 0.00 174.94 174.80 1bve s ILE 85 N 2.43 4.95 0.00 2.92 1.09 -1.18 -0.82 121.20 130.59 1bve s ILE 85 Ca 0.40 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 1bve s ILE 85 Cb -0.16 -4.35 0.00 0.00 -1.06 0.00 0.00 42.46 36.88 1bve s ILE 85 CO 0.11 -0.90 0.00 0.61 -0.10 0.00 0.00 174.94 174.66 1bve n GLY 86 N 5.23 0.66 0.37 6.18 0.00 0.12 -1.22 105.19 116.54 1bve n GLY 86 Ca -0.09 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.08 1bve n GLY 86 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1bve h ARG 87 N 0.00 1.15 -1.06 1.61 9.65 -1.34 -0.84 114.38 123.56 1bve h ARG 87 Ca 0.00 -0.07 0.38 0.00 -1.10 0.00 0.00 59.98 59.19 1bve h ARG 87 Cb 0.00 -0.26 -0.16 0.00 -1.39 0.00 0.00 29.97 28.16 1bve h ARG 87 CO 0.00 0.76 0.61 -2.95 2.80 0.00 0.00 179.97 181.19 1bve h ASN 88 N 1.19 0.39 0.00 -3.80 -1.07 -1.55 0.24 115.58 110.97 1bve h ASN 88 Ca 0.43 0.21 -0.07 0.00 0.07 0.00 0.00 56.30 56.94 1bve h ASN 88 Cb 0.15 0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.58 1bve h ASN 88 CO -0.17 -0.27 -2.05 0.18 0.07 0.00 0.00 177.43 175.20 1bve n LEU 89 N -5.07 0.00 0.00 6.14 7.99 -0.76 -4.05 117.00 121.25 1bve n LEU 89 Ca 0.35 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.47 1bve n LEU 89 Cb 1.18 0.10 0.66 0.00 -0.11 0.00 0.00 43.42 45.25 1bve n LEU 89 CO 0.08 0.10 0.87 0.18 -1.51 0.00 0.00 177.39 177.11 1bve n LEU 90 N -2.34 0.00 -0.00 2.23 4.77 0.66 -1.90 117.00 120.42 1bve n LEU 90 Ca -0.10 0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1bve n LEU 90 Cb 0.67 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.53 1bve n LEU 90 CO 0.44 -0.02 -0.62 0.35 -1.33 0.00 0.00 177.39 176.21 1bve n THR 91 N -1.08 0.03 0.08 -5.08 -2.24 -0.19 -0.94 114.28 104.86 1bve n THR 91 Ca 0.16 -0.44 -0.23 0.00 -2.27 0.00 0.00 64.05 61.27 1bve n THR 91 Cb 0.11 0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 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 0.39 0.00 -0.78 1.08 -1.55 -3.27 115.11 110.97 1bve h GLN 92 Ca 0.00 -0.67 0.00 0.00 -1.45 0.00 0.00 58.65 56.53 1bve h GLN 92 Cb 0.93 0.25 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1bve h GLN 92 CO 0.00 1.32 -0.35 0.44 -0.95 0.00 0.00 178.83 179.29 1bve n ILE 93 N -3.80 0.01 -2.76 2.54 -5.35 -1.12 -4.95 119.36 103.93 1bve n ILE 93 Ca -0.21 -0.01 -0.08 0.00 -0.27 0.00 0.00 62.75 62.18 1bve n ILE 93 Cb 1.00 0.01 0.04 0.00 -1.74 0.00 0.00 39.64 38.95 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 1.49 0.21 3.72 3.28 0.00 -1.14 -4.91 105.19 107.85 1bve n GLY 94 Ca 0.06 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.14 3.33 -0.02 4.61 0.00 -0.12 -5.01 121.76 121.41 1bve s ALA 95 Ca 0.11 0.76 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1bve s ALA 95 Cb -0.05 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1bve s ALA 95 CO 0.30 -0.32 -0.13 0.95 0.00 0.00 0.00 175.76 176.56 1bve s THR 96 N 0.72 1.06 -0.25 0.00 -4.23 -1.26 -4.87 115.64 106.81 1bve s THR 96 Ca 0.55 -0.54 -0.20 0.00 -1.18 0.00 0.00 61.69 60.31 1bve s THR 96 Cb -0.27 -0.90 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 1bve s THR 96 CO 0.30 0.31 0.63 -0.76 -0.54 0.00 0.00 174.62 174.57 1bve s LEU 97 N -0.10 4.07 -0.14 4.79 1.02 -1.26 -5.04 118.68 122.02 1bve s LEU 97 Ca 0.01 0.72 0.02 0.00 0.02 0.00 0.00 54.13 54.90 1bve s LEU 97 Cb -0.07 -2.86 0.01 0.00 0.02 0.00 0.00 46.19 43.28 1bve s LEU 97 CO 0.00 -0.37 -0.21 0.20 0.02 0.00 0.00 176.35 175.99 1bve s ASN 98 N 1.45 3.19 0.00 2.29 0.02 -1.26 -5.31 114.94 115.33 1bve s ASN 98 Ca 0.26 -0.59 0.00 0.00 -1.02 0.00 0.00 52.86 51.52 1bve s ASN 98 Cb -0.15 -1.46 0.00 0.00 0.02 0.00 0.00 41.25 39.65 1bve s ASN 98 CO 0.08 0.08 0.00 2.22 0.02 0.00 0.00 177.10 179.50