#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 3.47 -0.26 -0.52 0.74 -1.26 -5.00 119.66 116.84 1bve s GLN 2 Ca 0.00 0.05 -0.09 0.00 0.05 0.00 0.00 55.36 55.37 1bve s GLN 2 Cb 0.00 -3.98 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 1bve s GLN 2 CO 0.00 -1.37 0.13 0.08 -0.55 0.00 0.00 175.29 173.58 1bve s VAL 3 N 3.99 4.84 -1.51 1.34 1.01 -1.26 -4.94 120.40 123.87 1bve s VAL 3 Ca 0.36 0.01 0.20 0.00 0.00 0.00 0.00 61.98 62.55 1bve s VAL 3 Cb -0.10 -3.28 0.38 0.00 0.00 0.00 0.00 36.38 33.38 1bve s VAL 3 CO 0.24 0.31 1.62 0.35 0.00 0.00 0.00 175.10 177.63 1bve n THR 4 N 4.81 0.34 -3.12 3.92 -2.24 -1.26 -4.87 114.28 111.86 1bve n THR 4 Ca -0.15 0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1bve n THR 4 Cb 0.52 -0.76 0.06 0.00 -2.10 0.00 0.00 70.33 68.05 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 -1.24 -3.19 0.30 3.22 4.77 -1.26 -4.88 117.00 114.71 1bve n LEU 5 Ca 0.10 -0.40 0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1bve n LEU 5 Cb 0.15 -2.28 0.89 0.00 -2.33 0.00 0.00 43.42 39.84 1bve n LEU 5 CO 0.15 0.35 1.06 -0.50 -1.33 0.00 0.00 177.39 177.12 1bve h TRP 6 N -1.58 0.00 0.00 -1.77 -0.00 -2.02 -3.46 115.95 107.12 1bve h TRP 6 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.49 1bve h TRP 6 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.40 1bve h TRP 6 CO 0.32 0.02 0.00 1.04 -0.00 0.00 0.00 178.44 179.82 1bve n GLN 7 N -3.16 0.00 -4.83 0.49 1.13 -1.26 -5.14 117.38 104.61 1bve n GLN 7 Ca -0.01 0.00 -0.33 0.00 -1.94 0.00 0.00 57.00 54.72 1bve n GLN 7 Cb 0.21 0.00 -0.13 0.00 0.11 0.00 0.00 30.24 30.44 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 0.90 2.53 -0.62 -1.09 0.52 -1.26 -5.01 118.95 114.92 1bve s ARG 8 Ca 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.46 1bve s ARG 8 Cb 0.00 -2.41 -0.19 0.00 0.52 0.00 0.00 34.95 32.87 1bve s ARG 8 CO 0.00 0.63 3.35 -0.35 0.02 0.00 0.00 175.30 178.95 1bve n PRO 9 N 2.24 2.67 -2.70 3.54 -0.04 -1.26 -4.94 135.00 134.52 1bve n PRO 9 Ca -0.17 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.36 1bve n PRO 9 Cb 0.52 -2.30 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 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 -0.03 4.49 0.16 1.53 1.43 -1.25 -2.43 118.68 122.58 1bve s LEU 10 Ca 0.68 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 1bve s LEU 10 Cb 0.27 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.91 1bve s LEU 10 CO -0.03 -0.10 0.37 0.68 0.23 0.00 0.00 176.35 177.50 1bve s VAL 11 N 0.04 0.06 -0.27 -1.59 -7.23 -0.73 -4.91 120.40 105.78 1bve s VAL 11 Ca 0.48 -1.05 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 1bve s VAL 11 Cb -0.24 -1.60 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1bve s VAL 11 CO 0.30 -0.28 0.77 -0.89 -0.31 0.00 0.00 175.10 174.69 1bve s THR 12 N -3.90 4.86 -0.09 5.32 2.01 -1.26 -0.86 115.64 121.72 1bve s THR 12 Ca 0.11 1.34 -0.00 0.00 0.31 0.00 0.00 61.69 63.45 1bve s THR 12 Cb 0.02 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1bve s THR 12 CO -0.04 -0.11 -0.07 0.27 -0.69 0.00 0.00 174.62 173.98 1bve s ILE 13 N 2.80 3.69 -0.38 1.82 -4.36 -0.73 -4.05 121.20 119.99 1bve s ILE 13 Ca 0.32 -0.47 -0.09 0.00 -0.26 0.00 0.00 60.65 60.15 1bve s ILE 13 Cb -0.15 -2.53 0.05 0.00 1.25 0.00 0.00 42.46 41.09 1bve s ILE 13 CO 0.09 0.57 0.20 -0.75 0.24 0.00 0.00 174.94 175.30 1bve s LYS 14 N -0.52 2.66 -0.12 0.37 2.20 -0.99 -2.61 119.74 120.73 1bve s LYS 14 Ca 0.08 -1.28 -0.00 0.00 -0.36 0.00 0.00 55.97 54.40 1bve s LYS 14 Cb -0.12 -3.67 -0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1bve s LYS 14 CO 0.02 -0.80 -0.12 0.42 -0.36 0.00 0.00 175.35 174.51 1bve s ILE 15 N 1.45 3.19 0.00 5.43 1.01 -1.07 -1.27 121.20 129.94 1bve s ILE 15 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1bve s ILE 15 Cb -0.21 -2.34 0.00 0.00 0.01 0.00 0.00 42.46 39.92 1bve s ILE 15 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1bve n GLY 16 N 3.35 1.28 0.70 6.18 0.00 -1.24 -1.59 105.19 113.88 1bve n GLY 16 Ca -0.18 0.33 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.80 3.78 -0.02 0.00 -1.26 -4.97 105.19 103.52 1bve n GLY 17 Ca 0.00 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 2.20 -0.10 1.61 -0.21 -0.62 -5.14 119.66 117.40 1bve s GLN 18 Ca 0.01 -2.32 -0.04 0.00 0.02 0.00 0.00 55.36 53.03 1bve s GLN 18 Cb 0.01 -1.63 0.05 0.00 1.00 0.00 0.00 33.01 32.44 1bve s GLN 18 CO -0.00 -0.39 0.17 -0.51 -2.12 0.00 0.00 175.29 172.44 1bve s LEU 19 N -3.94 -0.09 0.30 2.90 1.43 -1.26 -2.60 118.68 115.42 1bve s LEU 19 Ca 0.12 0.29 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1bve s LEU 19 Cb 0.01 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.49 1bve s LEU 19 CO 0.07 -0.25 0.12 -0.54 0.23 0.00 0.00 176.35 175.97 1bve s LYS 20 N 2.30 1.57 0.78 1.70 1.02 -1.07 -4.96 119.74 121.08 1bve s LYS 20 Ca 0.03 -1.88 -0.12 0.00 0.02 0.00 0.00 55.97 54.02 1bve s LYS 20 Cb -0.12 -0.32 0.06 0.00 -0.52 0.00 0.00 37.83 36.93 1bve s LYS 20 CO -0.06 -0.36 1.12 -1.21 -0.92 0.00 0.00 175.35 173.91 1bve s GLU 21 N -3.90 2.19 -0.12 1.68 2.02 -1.26 -1.78 118.70 117.54 1bve s GLU 21 Ca 0.35 0.44 -0.07 0.00 0.02 0.00 0.00 54.97 55.71 1bve s GLU 21 Cb 0.06 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.39 1bve s GLU 21 CO 0.15 -1.50 0.28 0.00 0.02 0.00 0.00 175.26 174.22 1bve s ALA 22 N -3.32 -0.67 -0.75 5.21 0.00 -0.03 -4.41 121.76 117.79 1bve s ALA 22 Ca 0.61 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 1bve s ALA 22 Cb -0.13 -0.64 0.20 0.00 0.00 0.00 0.00 23.12 22.55 1bve s ALA 22 CO 0.52 -0.19 0.64 -1.17 0.00 0.00 0.00 175.76 175.56 1bve s LEU 23 N 1.02 6.17 -0.52 0.00 2.96 -0.54 -1.77 118.68 126.00 1bve s LEU 23 Ca -0.07 -2.76 -0.36 0.00 -0.22 0.00 0.00 54.13 50.72 1bve s LEU 23 Cb -0.08 -2.07 -0.15 0.00 0.50 0.00 0.00 46.19 44.39 1bve s LEU 23 CO -0.07 -0.49 2.29 0.18 -1.32 0.00 0.00 176.35 176.94 1bve n LEU 24 N 3.77 1.44 -4.10 -0.68 4.77 -1.02 -2.98 117.00 118.20 1bve n LEU 24 Ca 0.11 0.35 -0.37 0.00 -0.03 0.00 0.00 56.01 56.08 1bve n LEU 24 Cb 0.43 -1.13 -0.09 0.00 -2.33 0.00 0.00 43.42 40.30 1bve n LEU 24 CO 0.33 -0.82 0.06 -0.62 -1.33 0.00 0.00 177.39 175.02 1bve s ASP 25 N 7.74 5.28 0.63 -1.43 -1.08 -0.75 -4.68 116.67 122.37 1bve s ASP 25 Ca 1.16 -2.93 0.40 0.00 -0.52 0.00 0.00 52.55 50.66 1bve s ASP 25 Cb -1.04 -1.86 2.13 0.00 -1.46 0.00 0.00 42.92 40.69 1bve s ASP 25 CO 0.51 -0.35 2.28 0.74 0.52 0.00 0.00 175.17 178.87 1bve h THR 26 N 5.17 0.13 -0.81 1.71 2.02 -1.89 -1.82 112.91 117.42 1bve h THR 26 Ca -0.00 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1bve h THR 26 Cb 0.94 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1bve h THR 26 CO 0.72 0.01 0.51 1.23 0.37 0.00 0.00 175.52 178.35 1bve h GLY 27 N 0.35 1.15 -2.00 2.16 0.00 -1.93 -3.43 103.07 99.38 1bve h GLY 27 Ca -0.00 -0.46 -0.49 0.00 0.00 0.00 0.00 47.33 46.39 1bve h GLY 27 CO 0.00 0.44 0.11 0.00 0.00 0.00 0.00 176.54 177.09 1bve s ALA 28 N -5.86 3.41 -1.62 3.60 0.00 -0.69 -4.99 121.76 115.61 1bve s ALA 28 Ca -0.11 -0.55 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1bve s ALA 28 Cb 0.18 -2.57 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 1bve s ALA 28 CO 0.80 -0.39 1.00 -0.25 0.00 0.00 0.00 175.76 176.92 1bve n ASP 29 N -2.28 1.62 -3.81 0.00 9.92 -1.26 -1.94 116.55 118.80 1bve n ASP 29 Ca 0.01 -1.31 -0.24 0.00 -0.53 0.00 0.00 54.79 52.72 1bve n ASP 29 Cb 0.55 0.68 -0.08 0.00 -0.64 0.00 0.00 41.12 41.64 1bve n ASP 29 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bve s ASP 30 N -2.66 2.48 -0.58 -2.24 -1.08 -1.26 -1.05 116.67 110.28 1bve s ASP 30 Ca 0.14 -1.74 -0.09 0.00 -0.52 0.00 0.00 52.55 50.34 1bve s ASP 30 Cb 0.17 0.58 0.15 0.00 -1.46 0.00 0.00 42.92 42.36 1bve s ASP 30 CO 0.68 -1.01 0.46 -0.89 0.52 0.00 0.00 175.17 174.93 1bve s THR 31 N -3.27 4.47 -0.55 1.71 2.01 -1.18 -0.49 115.64 118.35 1bve s THR 31 Ca 0.29 -2.15 -0.23 0.00 0.31 0.00 0.00 61.69 59.90 1bve s THR 31 Cb 0.02 -3.89 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1bve s THR 31 CO 0.19 -0.86 0.90 -0.69 -0.69 0.00 0.00 174.62 173.48 1bve s VAL 32 N 0.84 4.45 -0.17 3.82 1.01 -0.46 -0.44 120.40 129.44 1bve s VAL 32 Ca 0.10 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.14 1bve s VAL 32 Cb -0.22 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 1bve s VAL 32 CO -0.03 -1.09 0.13 -0.76 0.00 0.00 0.00 175.10 173.35 1bve s LEU 33 N 3.78 4.25 0.68 3.92 1.02 0.18 -0.28 118.68 132.23 1bve s LEU 33 Ca 0.28 0.30 -0.17 0.00 0.02 0.00 0.00 54.13 54.56 1bve s LEU 33 Cb -0.14 -2.08 -0.13 0.00 0.02 0.00 0.00 46.19 43.87 1bve s LEU 33 CO 0.18 0.26 -0.16 -1.84 0.02 0.00 0.00 176.35 174.81 1bve n GLU 34 N 3.00 0.07 -1.65 1.70 0.28 -1.05 -2.66 120.64 120.33 1bve n GLU 34 Ca -0.17 0.03 -0.47 0.00 -0.16 0.00 0.00 57.16 56.39 1bve n GLU 34 Cb 0.53 -1.18 -0.04 0.00 1.43 0.00 0.00 31.44 32.18 1bve n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1bve n GLU 35 N 1.29 1.84 -4.12 3.44 1.02 0.38 -4.50 120.64 119.98 1bve n GLU 35 Ca 0.06 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.72 1bve n GLU 35 Cb 0.50 -2.36 -0.06 0.00 -0.02 0.00 0.00 31.44 29.50 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bve s MET 36 N 0.44 1.70 -0.52 3.49 0.23 -1.26 -4.98 119.30 118.41 1bve s MET 36 Ca 0.77 -1.68 -0.24 0.00 -1.03 0.00 0.00 55.69 53.51 1bve s MET 36 Cb -0.74 0.40 0.04 0.00 -1.53 0.00 0.00 34.83 32.99 1bve s MET 36 CO 0.43 -0.68 0.91 0.45 -2.03 0.00 0.00 175.02 174.11 1bve s SER 37 N -3.21 6.38 -0.25 -1.18 0.15 -1.26 -5.00 113.70 109.34 1bve s SER 37 Ca 0.32 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1bve s SER 37 Cb 0.01 -2.43 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 1bve s SER 37 CO 0.18 -1.14 -0.11 -0.76 1.20 0.00 0.00 173.24 172.61 1bve s LEU 38 N 3.80 3.18 -0.29 3.45 1.43 -1.26 -4.94 118.68 124.04 1bve s LEU 38 Ca 0.32 -1.30 -0.29 0.00 -1.03 0.00 0.00 54.13 51.83 1bve s LEU 38 Cb -0.12 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.64 1bve s LEU 38 CO 0.21 -0.18 1.13 -2.16 0.23 0.00 0.00 176.35 175.58 1bve s PRO 39 N 1.17 4.08 0.00 1.29 0.04 -1.26 -4.89 135.00 135.43 1bve s PRO 39 Ca -0.07 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1bve s PRO 39 Cb -0.19 -3.75 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1bve s PRO 39 CO -0.06 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1bve n GLY 40 N 3.85 -0.34 3.92 0.56 0.00 -1.26 -5.11 105.19 106.81 1bve n GLY 40 Ca 0.13 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 1bve n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bve s ARG 41 N -2.00 3.57 0.31 1.61 1.81 -1.26 -5.09 118.95 117.90 1bve s ARG 41 Ca 0.00 -0.11 -0.19 0.00 -1.72 0.00 0.00 55.73 53.71 1bve s ARG 41 Cb 0.00 -2.63 0.03 0.00 -0.45 0.00 0.00 34.95 31.90 1bve s ARG 41 CO 0.00 0.15 0.74 1.67 -0.68 0.00 0.00 175.30 177.19 1bve s TRP 42 N -2.23 -0.09 0.10 -0.53 1.48 -1.26 -4.70 118.94 111.70 1bve s TRP 42 Ca 0.43 -0.44 0.01 0.00 -1.06 0.00 0.00 56.10 55.04 1bve s TRP 42 Cb -0.10 0.75 -0.04 0.00 -1.16 0.00 0.00 33.47 32.92 1bve s TRP 42 CO 0.34 -1.35 -0.06 0.15 -4.06 0.00 0.00 176.95 171.97 1bve s LYS 43 N -3.39 0.82 0.27 3.25 1.02 -1.16 -4.96 119.74 115.60 1bve s LYS 43 Ca 0.12 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.50 1bve s LYS 43 Cb -0.06 -0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.01 1bve s LYS 43 CO 0.08 -0.04 0.97 -1.25 -0.92 0.00 0.00 175.35 174.20 1bve s PRO 44 N -3.85 4.73 0.25 -1.68 0.04 -1.26 -0.00 135.00 133.22 1bve s PRO 44 Ca 0.12 1.51 -0.07 0.00 0.04 0.00 0.00 61.00 62.60 1bve s PRO 44 Cb 0.06 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 1bve s PRO 44 CO -0.05 0.38 0.35 0.21 0.04 0.00 0.00 177.00 177.94 1bve s LYS 45 N -1.47 1.49 -0.16 4.56 2.36 -0.53 -4.73 119.74 121.25 1bve s LYS 45 Ca 0.44 -1.47 -0.10 0.00 -2.55 0.00 0.00 55.97 52.29 1bve s LYS 45 Cb -0.25 0.40 0.05 0.00 -1.05 0.00 0.00 37.83 36.97 1bve s LYS 45 CO 0.32 -0.58 0.40 1.41 1.55 0.00 0.00 175.35 178.44 1bve s MET 46 N -3.92 0.40 0.07 4.03 1.75 -1.26 -1.60 119.30 118.77 1bve s MET 46 Ca 0.30 0.70 0.08 0.00 -1.25 0.00 0.00 55.69 55.52 1bve s MET 46 Cb 0.02 0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.70 1bve s MET 46 CO 0.12 -0.13 -0.21 0.96 -0.65 0.00 0.00 175.02 175.12 1bve s ILE 47 N 1.05 2.62 -0.15 10.11 -4.36 -0.71 -4.98 121.20 124.79 1bve s ILE 47 Ca -0.07 -1.36 0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1bve s ILE 47 Cb -0.07 -2.12 0.01 0.00 1.25 0.00 0.00 42.46 41.53 1bve s ILE 47 CO -0.09 0.26 -0.20 -0.83 0.24 0.00 0.00 174.94 174.33 1bve s GLY 48 N -1.63 1.40 0.00 6.27 0.00 -1.26 -1.33 107.32 110.77 1bve s GLY 48 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.76 1bve s GLY 48 CO 0.06 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.81 1bve n GLY 49 N 4.17 4.24 3.72 0.20 0.00 -0.70 -4.99 105.19 111.84 1bve n GLY 49 Ca -0.20 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 3.07 4.90 0.00 -0.61 1.01 -1.26 -3.94 121.20 124.37 1bve s ILE 50 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 60.65 62.29 1bve s ILE 50 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1bve s ILE 50 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1bve n GLY 51 N 2.83 2.97 0.00 6.18 0.00 -1.26 -4.83 105.19 111.08 1bve n GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 -0.09 3.53 -0.02 0.00 -1.25 -5.13 105.19 100.22 1bve n GLY 52 Ca 0.00 -1.28 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.17 2.51 0.04 1.61 0.40 -1.26 -1.71 117.98 116.40 1bve s PHE 53 Ca 0.00 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1bve s PHE 53 Cb 0.00 -1.20 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 1bve s PHE 53 CO 0.00 0.54 -0.12 0.96 0.70 0.00 0.00 175.22 177.30 1bve s ILE 54 N -1.85 0.95 0.32 0.64 -4.36 -0.44 -4.99 121.20 111.46 1bve s ILE 54 Ca 0.25 -0.97 -0.07 0.00 -0.26 0.00 0.00 60.65 59.60 1bve s ILE 54 Cb -0.08 -0.89 -0.06 0.00 1.25 0.00 0.00 42.46 42.69 1bve s ILE 54 CO 0.14 -0.07 0.62 -0.54 0.24 0.00 0.00 174.94 175.33 1bve s LYS 55 N -1.17 3.70 0.35 0.37 1.02 -1.26 -1.73 119.74 121.02 1bve s LYS 55 Ca -0.01 0.18 -0.03 0.00 0.02 0.00 0.00 55.97 56.13 1bve s LYS 55 Cb -0.08 -2.57 0.01 0.00 -0.52 0.00 0.00 37.83 34.67 1bve s LYS 55 CO 0.01 0.15 0.51 0.14 -0.92 0.00 0.00 175.35 175.23 1bve s VAL 56 N -2.14 0.00 -0.30 3.17 -7.23 -0.62 -3.35 120.40 109.93 1bve s VAL 56 Ca 0.47 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1bve s VAL 56 Cb -0.11 -2.68 0.08 0.00 0.56 0.00 0.00 36.38 34.24 1bve s VAL 56 CO 0.29 0.00 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.95 1bve s ARG 57 N -2.94 1.63 -0.51 4.82 1.81 0.14 -1.46 118.95 122.45 1bve s ARG 57 Ca 0.29 -1.48 -0.26 0.00 -1.72 0.00 0.00 55.73 52.56 1bve s ARG 57 Cb -0.01 -2.88 -0.07 0.00 -0.45 0.00 0.00 34.95 31.55 1bve s ARG 57 CO 0.20 -0.78 2.38 -1.14 -0.68 0.00 0.00 175.30 175.28 1bve s GLN 58 N 1.12 2.10 -0.51 3.54 0.74 1.00 -2.17 119.66 125.47 1bve s GLN 58 Ca 0.02 1.33 -0.19 0.00 0.05 0.00 0.00 55.36 56.57 1bve s GLN 58 Cb -0.19 -4.59 0.07 0.00 1.10 0.00 0.00 33.01 29.40 1bve s GLN 58 CO -0.09 -3.31 0.60 0.71 -0.55 0.00 0.00 175.29 172.66 1bve s TYR 59 N 12.19 3.07 -0.10 1.67 2.02 -1.00 -2.96 117.35 132.24 1bve s TYR 59 Ca 0.96 -0.65 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 1bve s TYR 59 Cb -0.17 -3.56 -0.04 0.00 -0.40 0.00 0.00 41.96 37.80 1bve s TYR 59 CO 0.25 -1.04 0.61 -0.51 -1.57 0.00 0.00 175.55 173.29 1bve s ASP 60 N 2.81 6.84 0.00 2.29 1.11 -1.26 -1.28 116.67 127.18 1bve s ASP 60 Ca 0.13 1.01 0.00 0.00 0.18 0.00 0.00 52.55 53.87 1bve s ASP 60 Cb -0.21 -2.36 0.00 0.00 1.07 0.00 0.00 42.92 41.43 1bve s ASP 60 CO 0.10 -0.09 0.00 1.67 1.18 0.00 0.00 175.17 178.04 1bve n GLN 61 N 3.87 0.00 -4.07 8.23 7.27 -0.59 -4.97 117.38 127.12 1bve n GLN 61 Ca -0.03 0.02 -0.34 0.00 0.07 0.00 0.00 57.00 56.71 1bve n GLN 61 Cb 0.51 -1.35 -0.15 0.00 2.41 0.00 0.00 30.24 31.67 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1bve s ILE 62 N -2.90 2.82 -0.77 1.69 -1.09 -0.24 -4.77 121.20 115.94 1bve s ILE 62 Ca 0.00 -0.69 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 1bve s ILE 62 Cb 0.00 -2.24 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 1bve s ILE 62 CO 0.00 0.48 1.82 -0.22 -1.23 0.00 0.00 174.94 175.79 1bve s LEU 63 N 1.31 3.24 -0.33 2.97 1.98 -1.26 -1.33 118.68 125.26 1bve s LEU 63 Ca 0.04 -0.26 -0.14 0.00 -2.89 0.00 0.00 54.13 50.88 1bve s LEU 63 Cb -0.14 -2.55 -0.02 0.00 0.66 0.00 0.00 46.19 44.15 1bve s LEU 63 CO -0.06 -2.42 0.32 -0.51 -1.89 0.00 0.00 176.35 171.78 1bve s ILE 64 N 8.93 5.21 -0.55 6.68 2.07 0.08 -3.67 121.20 139.95 1bve s ILE 64 Ca 0.64 0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.68 1bve s ILE 64 Cb -0.09 -3.76 0.05 0.00 0.13 0.00 0.00 42.46 38.79 1bve s ILE 64 CO 0.09 -0.03 0.83 -0.70 -1.91 0.00 0.00 174.94 173.23 1bve s GLU 65 N 1.92 3.23 -0.25 3.50 2.12 -0.40 -1.60 118.70 127.22 1bve s GLU 65 Ca 0.10 -0.55 -0.08 0.00 0.36 0.00 0.00 54.97 54.80 1bve s GLU 65 Cb -0.17 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 1bve s GLU 65 CO 0.11 -1.43 0.10 0.42 -0.54 0.00 0.00 175.26 173.93 1bve s ILE 66 N 3.48 4.62 -1.11 -3.70 1.09 -0.85 -2.35 121.20 122.37 1bve s ILE 66 Ca 0.24 -0.07 -0.13 0.00 -1.10 0.00 0.00 60.65 59.59 1bve s ILE 66 Cb -0.15 -3.17 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1bve s ILE 66 CO 0.16 0.32 0.85 0.00 -0.10 0.00 0.00 174.94 176.17 1bve n GLY 68 N -1.47 -0.49 2.77 0.00 0.00 -1.26 -4.91 105.19 99.82 1bve n GLY 68 Ca -0.10 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.80 1.77 0.31 1.61 3.76 -0.59 -5.10 115.29 114.24 1bve s HIS 69 Ca 0.25 -1.66 -0.28 0.00 -0.15 0.00 0.00 55.06 53.22 1bve s HIS 69 Cb -0.13 -1.66 -0.14 0.00 1.11 0.00 0.00 32.58 31.77 1bve s HIS 69 CO 0.31 -0.83 1.08 1.63 -0.85 0.00 0.00 174.74 176.07 1bve n LYS 70 N 4.83 1.54 -3.15 1.40 4.01 -1.26 -2.01 118.16 123.53 1bve n LYS 70 Ca -0.04 0.54 0.04 0.00 -0.51 0.00 0.00 58.31 58.34 1bve n LYS 70 Cb 0.43 -1.97 -0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bve s ALA 71 N -1.07 -2.50 0.59 7.82 0.00 -0.63 -4.85 121.76 121.12 1bve s ALA 71 Ca 0.58 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 1bve s ALA 71 Cb -0.66 -2.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1bve s ALA 71 CO 0.60 -1.86 1.02 0.42 0.00 0.00 0.00 175.76 175.95 1bve s ILE 72 N 2.81 4.47 0.00 0.00 -1.09 -1.26 -0.74 121.20 125.39 1bve s ILE 72 Ca 0.11 0.98 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 1bve s ILE 72 Cb -0.09 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.08 1bve s ILE 72 CO -0.25 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.19 1bve n GLY 73 N -2.04 0.54 3.45 6.18 0.00 -0.44 -4.82 105.19 108.06 1bve n GLY 73 Ca 0.07 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.03 5.17 -0.45 2.61 2.01 -1.26 -1.08 115.64 120.62 1bve s THR 74 Ca 0.00 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.20 1bve s THR 74 Cb 0.00 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.53 1bve s THR 74 CO 0.00 -0.46 0.33 -0.69 -0.69 0.00 0.00 174.62 173.11 1bve s VAL 75 N 1.89 4.86 -0.47 3.82 1.01 -0.41 -3.09 120.40 128.01 1bve s VAL 75 Ca 0.08 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 1bve s VAL 75 Cb -0.20 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.30 1bve s VAL 75 CO 0.10 -0.52 1.23 -0.76 0.00 0.00 0.00 175.10 175.15 1bve s LEU 76 N 1.56 3.61 -0.36 3.92 1.02 0.41 -2.36 118.68 126.48 1bve s LEU 76 Ca 0.04 0.55 -0.19 0.00 0.02 0.00 0.00 54.13 54.55 1bve s LEU 76 Cb -0.23 -3.52 -0.00 0.00 0.02 0.00 0.00 46.19 42.45 1bve s LEU 76 CO 0.05 -1.33 0.54 -0.69 0.02 0.00 0.00 176.35 174.95 1bve s VAL 77 N 4.80 4.98 0.00 -1.59 1.01 -0.92 -0.64 120.40 128.04 1bve s VAL 77 Ca 0.52 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1bve s VAL 77 Cb -0.09 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1bve s VAL 77 CO 0.32 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1bve n GLY 78 N 4.79 4.34 1.73 4.51 0.00 -1.09 0.29 105.19 119.76 1bve n GLY 78 Ca -0.04 -1.39 -0.06 0.00 0.00 0.00 0.00 46.02 44.52 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 1.43 -3.18 1.61 -0.04 -1.21 0.14 135.00 133.75 1bve n PRO 79 Ca 0.00 -0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 62.52 1bve n PRO 79 Cb 0.00 -1.40 -0.05 0.00 -0.04 0.00 0.00 33.50 32.01 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 4.93 -1.15 0.52 -1.32 -1.26 -4.93 115.64 112.39 1bve s THR 80 Ca 0.25 1.27 0.00 0.00 -1.21 0.00 0.00 61.69 62.00 1bve s THR 80 Cb 0.13 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 1bve s THR 80 CO -0.01 0.39 0.53 -0.81 -2.21 0.00 0.00 174.62 172.51 1bve n PRO 81 N 2.91 0.92 -3.49 7.08 -0.04 -1.26 -3.67 135.00 137.46 1bve n PRO 81 Ca -0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.29 1bve n PRO 81 Cb 0.51 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 1bve n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bve s VAL 82 N -1.15 0.00 -0.10 0.52 0.11 -1.26 -5.00 120.40 113.53 1bve s VAL 82 Ca 0.00 -0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 58.79 1bve s VAL 82 Cb 0.00 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.67 1bve s VAL 82 CO 0.00 0.00 0.33 0.20 -3.33 0.00 0.00 175.10 172.30 1bve s ASN 83 N -2.74 6.58 -0.14 3.54 -0.87 -1.26 -2.54 114.94 117.52 1bve s ASN 83 Ca 0.03 0.69 0.01 0.00 -1.57 0.00 0.00 52.86 52.01 1bve s ASN 83 Cb -0.02 -2.20 0.02 0.00 -0.02 0.00 0.00 41.25 39.03 1bve s ASN 83 CO -0.10 0.20 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.85 1bve s ILE 84 N -0.22 1.59 -0.92 0.60 -1.09 0.61 -1.47 121.20 120.31 1bve s ILE 84 Ca 0.20 -0.66 -0.14 0.00 -2.23 0.00 0.00 60.65 57.82 1bve s ILE 84 Cb -0.14 -1.47 0.22 0.00 -1.58 0.00 0.00 42.46 39.48 1bve s ILE 84 CO 0.08 0.46 0.92 -0.63 -1.23 0.00 0.00 174.94 174.54 1bve s ILE 85 N 1.30 5.54 0.00 2.92 -1.09 -1.16 -1.36 121.20 127.36 1bve s ILE 85 Ca 0.01 -2.54 0.00 0.00 -2.23 0.00 0.00 60.65 55.89 1bve s ILE 85 Cb -0.14 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.18 1bve s ILE 85 CO -0.08 -1.16 0.00 0.61 -1.23 0.00 0.00 174.94 173.09 1bve n GLY 86 N 3.94 -1.13 0.37 6.18 0.00 0.36 -1.81 105.19 113.10 1bve n GLY 86 Ca 0.18 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 1.09 -1.49 1.61 2.47 -1.37 -0.69 114.38 116.00 1bve h ARG 87 Ca 0.00 -0.07 0.44 0.00 -1.26 0.00 0.00 59.98 59.09 1bve h ARG 87 Cb 0.00 -0.25 -0.07 0.00 -1.65 0.00 0.00 29.97 28.00 1bve h ARG 87 CO 0.00 0.72 1.06 -2.95 0.56 0.00 0.00 179.97 179.36 1bve h ASN 88 N 1.12 0.06 0.00 7.04 -1.07 -1.36 0.22 115.58 121.59 1bve h ASN 88 Ca 0.41 0.02 -0.21 0.00 0.07 0.00 0.00 56.30 56.59 1bve h ASN 88 Cb 0.15 0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 36.38 1bve h ASN 88 CO -0.15 -0.02 -1.96 0.18 0.07 0.00 0.00 177.43 175.55 1bve n LEU 89 N -4.18 0.00 0.00 6.14 7.99 -0.57 -4.26 117.00 122.12 1bve n LEU 89 Ca 0.34 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.41 1bve n LEU 89 Cb 1.54 0.28 0.34 0.00 -0.11 0.00 0.00 43.42 45.47 1bve n LEU 89 CO 0.39 0.28 0.73 0.18 -1.51 0.00 0.00 177.39 177.46 1bve n LEU 90 N -2.43 0.00 0.07 2.23 4.77 0.57 -1.46 117.00 120.74 1bve n LEU 90 Ca -0.19 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.33 1bve n LEU 90 Cb 0.85 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1bve n LEU 90 CO 0.33 -0.21 -0.24 0.35 -1.33 0.00 0.00 177.39 176.29 1bve n THR 91 N -1.44 0.45 0.06 -5.08 -2.24 0.06 -0.64 114.28 105.45 1bve n THR 91 Ca 0.05 -0.54 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1bve n THR 91 Cb 0.16 -0.25 -0.15 0.00 -2.10 0.00 0.00 70.33 68.00 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 0.37 -0.00 -0.78 1.08 -1.44 -3.30 115.11 111.04 1bve h GLN 92 Ca -0.01 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.56 1bve h GLN 92 Cb 1.03 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 1bve h GLN 92 CO 0.00 1.30 -0.10 0.44 -0.95 0.00 0.00 178.83 179.52 1bve n ILE 93 N -3.58 0.00 -2.46 2.54 -5.35 -0.74 -4.92 119.36 104.85 1bve n ILE 93 Ca -0.26 -0.02 -0.08 0.00 -0.27 0.00 0.00 62.75 62.12 1bve n ILE 93 Cb 1.07 -0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.69 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 1.39 0.22 3.72 3.28 0.00 -1.10 -4.93 105.19 107.77 1bve n GLY 94 Ca 0.10 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.68 3.55 -0.07 4.61 0.00 0.18 -5.01 121.76 122.34 1bve s ALA 95 Ca 0.09 1.07 0.02 0.00 0.00 0.00 0.00 51.96 53.14 1bve s ALA 95 Cb -0.04 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1bve s ALA 95 CO 0.11 -0.58 -0.13 0.95 0.00 0.00 0.00 175.76 176.11 1bve s THR 96 N 1.06 1.22 -0.73 0.00 -4.23 -1.26 -4.83 115.64 106.88 1bve s THR 96 Ca 0.63 -0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.39 1bve s THR 96 Cb -0.35 -1.11 0.08 0.00 1.34 0.00 0.00 72.50 72.46 1bve s THR 96 CO 0.30 0.37 1.01 -0.76 -0.54 0.00 0.00 174.62 175.01 1bve s LEU 97 N 0.63 4.51 -0.21 4.79 1.02 -1.26 -5.00 118.68 123.16 1bve s LEU 97 Ca -0.15 -1.24 -0.06 0.00 0.02 0.00 0.00 54.13 52.70 1bve s LEU 97 Cb -0.16 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.61 1bve s LEU 97 CO 0.04 -1.36 0.03 0.20 0.02 0.00 0.00 176.35 175.28 1bve s ASN 98 N 3.72 5.01 0.00 2.29 0.02 -1.26 -5.31 114.94 119.41 1bve s ASN 98 Ca 0.25 -0.17 0.00 0.00 -1.02 0.00 0.00 52.86 51.92 1bve s ASN 98 Cb -0.14 -1.87 0.00 0.00 0.02 0.00 0.00 41.25 39.26 1bve s ASN 98 CO 0.05 0.05 0.00 2.22 0.02 0.00 0.00 177.10 179.44