#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 4.55 -0.12 0.54 0.74 -1.26 -5.05 119.66 119.07 1bve s GLN 2 Ca 0.00 1.14 -0.04 0.00 0.05 0.00 0.00 55.36 56.51 1bve s GLN 2 Cb 0.00 -3.27 0.06 0.00 1.10 0.00 0.00 33.01 30.90 1bve s GLN 2 CO 0.00 0.56 0.18 0.08 -0.55 0.00 0.00 175.29 175.56 1bve s VAL 3 N -1.09 -0.27 -0.20 1.34 1.01 -1.26 -4.97 120.40 114.95 1bve s VAL 3 Ca 0.36 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.67 1bve s VAL 3 Cb -0.23 -0.40 -0.22 0.00 0.00 0.00 0.00 36.38 35.53 1bve s VAL 3 CO 0.26 0.05 0.03 0.35 0.00 0.00 0.00 175.10 175.79 1bve n THR 4 N 5.32 1.47 -2.04 3.92 -2.24 -1.26 -4.99 114.28 114.46 1bve n THR 4 Ca -0.05 -0.74 -0.04 0.00 -2.27 0.00 0.00 64.05 60.96 1bve n THR 4 Cb 0.50 -0.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 1bve n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bve n LEU 5 N -3.01 -0.25 0.27 3.22 7.99 -1.26 -4.55 117.00 119.42 1bve n LEU 5 Ca -0.36 -0.07 0.05 0.00 -0.01 0.00 0.00 56.01 55.61 1bve n LEU 5 Cb 1.08 -0.19 0.14 0.00 -0.11 0.00 0.00 43.42 44.35 1bve n LEU 5 CO 0.37 0.03 1.04 -0.50 -1.51 0.00 0.00 177.39 176.82 1bve h TRP 6 N 0.58 0.00 0.00 -1.77 4.06 -2.06 -3.33 115.95 113.43 1bve h TRP 6 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 1bve h TRP 6 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 1bve h TRP 6 CO 0.01 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 175.93 1bve n GLN 7 N -2.63 0.00 -4.58 0.49 6.02 -1.26 -5.07 117.38 110.35 1bve n GLN 7 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 1bve n GLN 7 Cb 0.99 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 32.12 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 1.51 3.34 -1.44 -1.09 0.52 -1.25 -5.02 118.95 115.53 1bve s ARG 8 Ca 0.00 -0.58 -0.13 0.00 -0.52 0.00 0.00 55.73 54.50 1bve s ARG 8 Cb 0.00 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 1bve s ARG 8 CO 0.00 0.34 2.44 -0.35 0.02 0.00 0.00 175.30 177.75 1bve n PRO 9 N 3.19 2.99 -2.63 3.54 -0.04 -1.26 -4.92 135.00 135.88 1bve n PRO 9 Ca -0.18 -2.36 -0.33 0.00 -0.04 0.00 0.00 63.50 60.59 1bve n PRO 9 Cb 0.53 -3.07 -0.05 0.00 -0.04 0.00 0.00 33.50 30.87 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 1.38 3.79 0.22 1.53 1.43 -1.26 -2.73 118.68 123.05 1bve s LEU 10 Ca 0.55 1.63 -0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1bve s LEU 10 Cb 0.15 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.82 1bve s LEU 10 CO -0.06 -0.46 0.21 0.68 0.23 0.00 0.00 176.35 176.94 1bve s VAL 11 N -2.39 0.00 -0.75 -1.59 -7.23 -0.63 -4.87 120.40 102.94 1bve s VAL 11 Ca 0.61 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.74 1bve s VAL 11 Cb -0.09 -2.46 0.20 0.00 0.56 0.00 0.00 36.38 34.58 1bve s VAL 11 CO 0.21 0.00 0.68 -0.89 -0.31 0.00 0.00 175.10 174.80 1bve s THR 12 N -4.06 5.37 0.17 5.32 2.01 -1.26 -0.98 115.64 122.22 1bve s THR 12 Ca 0.36 -2.30 -0.21 0.00 0.31 0.00 0.00 61.69 59.85 1bve s THR 12 Cb 0.05 -4.35 -0.08 0.00 0.01 0.00 0.00 72.50 68.13 1bve s THR 12 CO 0.13 -0.98 0.70 0.27 -0.69 0.00 0.00 174.62 174.05 1bve s ILE 13 N 0.46 4.55 -0.41 1.82 -4.36 -0.74 -4.40 121.20 118.11 1bve s ILE 13 Ca 0.15 1.39 -0.01 0.00 -0.26 0.00 0.00 60.65 61.92 1bve s ILE 13 Cb -0.15 -3.95 0.11 0.00 1.25 0.00 0.00 42.46 39.72 1bve s ILE 13 CO -0.06 0.39 0.18 -0.75 0.24 0.00 0.00 174.94 174.94 1bve s LYS 14 N -1.52 1.91 0.25 0.37 2.20 -0.91 -2.25 119.74 119.79 1bve s LYS 14 Ca 0.37 -1.89 0.10 0.00 -0.36 0.00 0.00 55.97 54.20 1bve s LYS 14 Cb -0.19 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 1bve s LYS 14 CO 0.22 -1.05 -0.10 0.42 -0.36 0.00 0.00 175.35 174.48 1bve s ILE 15 N 1.00 3.00 -1.13 5.43 1.09 -0.87 -1.91 121.20 127.79 1bve s ILE 15 Ca 0.09 -2.05 -0.02 0.00 -1.10 0.00 0.00 60.65 57.57 1bve s ILE 15 Cb -0.22 -2.56 0.00 0.00 -1.06 0.00 0.00 42.46 38.62 1bve s ILE 15 CO -0.05 -0.32 0.04 0.61 -0.10 0.00 0.00 174.94 175.11 1bve n GLY 16 N -0.57 -0.13 3.78 6.18 0.00 -1.26 0.92 105.19 114.11 1bve n GLY 16 Ca -0.07 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.15 -0.44 3.60 -0.02 0.00 -1.26 -4.96 105.19 99.95 1bve n GLY 17 Ca -0.23 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.16 1.69 -0.04 1.61 1.11 0.26 -5.17 119.66 112.96 1bve s GLN 18 Ca 0.12 -1.36 -0.02 0.00 0.01 0.00 0.00 55.36 54.11 1bve s GLN 18 Cb -0.04 0.48 0.03 0.00 -1.01 0.00 0.00 33.01 32.47 1bve s GLN 18 CO 0.85 -0.72 0.09 -0.51 0.01 0.00 0.00 175.29 175.01 1bve s LEU 19 N -3.06 1.05 0.14 2.90 1.43 -1.26 -2.06 118.68 117.82 1bve s LEU 19 Ca 0.23 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1bve s LEU 19 Cb -0.01 0.19 0.01 0.00 0.03 0.00 0.00 46.19 46.41 1bve s LEU 19 CO 0.11 -0.12 0.34 -0.54 0.23 0.00 0.00 176.35 176.38 1bve s LYS 20 N 0.91 1.11 0.27 1.70 -0.14 -0.96 -4.99 119.74 117.65 1bve s LYS 20 Ca -0.07 -0.94 -0.29 0.00 -1.36 0.00 0.00 55.97 53.31 1bve s LYS 20 Cb -0.10 0.42 -0.09 0.00 -1.68 0.00 0.00 37.83 36.38 1bve s LYS 20 CO -0.04 -0.42 0.96 -1.21 -0.76 0.00 0.00 175.35 173.89 1bve s GLU 21 N -3.88 4.73 -0.07 1.68 0.41 -1.26 -1.79 118.70 118.51 1bve s GLU 21 Ca 0.09 1.47 0.04 0.00 -0.41 0.00 0.00 54.97 56.16 1bve s GLU 21 Cb 0.02 -3.10 0.00 0.00 -1.78 0.00 0.00 34.13 29.28 1bve s GLU 21 CO -0.06 0.39 -0.19 0.00 -0.49 0.00 0.00 175.26 174.91 1bve s ALA 22 N -1.33 1.74 -0.69 5.21 0.00 -0.15 -4.33 121.76 122.22 1bve s ALA 22 Ca 0.45 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.46 1bve s ALA 22 Cb -0.24 -0.65 0.10 0.00 0.00 0.00 0.00 23.12 22.32 1bve s ALA 22 CO 0.30 0.25 0.89 -1.17 0.00 0.00 0.00 175.76 176.03 1bve s LEU 23 N 0.32 4.95 -0.38 0.00 2.96 -0.48 -1.61 118.68 124.44 1bve s LEU 23 Ca -0.13 -1.39 -0.41 0.00 -0.22 0.00 0.00 54.13 51.98 1bve s LEU 23 Cb -0.15 -2.37 -0.16 0.00 0.50 0.00 0.00 46.19 44.01 1bve s LEU 23 CO 0.05 -1.23 1.93 0.18 -1.32 0.00 0.00 176.35 175.97 1bve n LEU 24 N 6.88 1.81 -3.78 -0.68 7.99 -1.11 -2.99 117.00 125.13 1bve n LEU 24 Ca -0.01 0.83 -0.29 0.00 -0.01 0.00 0.00 56.01 56.54 1bve n LEU 24 Cb 0.45 -1.09 -0.12 0.00 -0.11 0.00 0.00 43.42 42.55 1bve n LEU 24 CO 0.59 -0.63 -0.16 -0.62 -1.51 0.00 0.00 177.39 175.05 1bve s ASP 25 N 5.03 3.89 0.12 -1.43 2.15 -0.46 -4.83 116.67 121.14 1bve s ASP 25 Ca 1.07 -3.27 0.11 0.00 0.43 0.00 0.00 52.55 50.89 1bve s ASP 25 Cb -1.17 -1.29 0.55 0.00 -0.30 0.00 0.00 42.92 40.71 1bve s ASP 25 CO 0.64 -0.17 1.34 0.41 -0.17 0.00 0.00 175.17 177.22 1bve n THR 26 N 2.71 1.43 -0.06 1.71 -1.04 -1.26 -2.05 114.28 115.73 1bve n THR 26 Ca 0.16 0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 62.52 1bve n THR 26 Cb 0.36 -1.45 -0.06 0.00 -1.82 0.00 0.00 70.33 67.36 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 0.64 0.80 -0.89 3.41 0.00 -1.90 -3.42 103.07 101.71 1bve h GLY 27 Ca 0.00 -1.00 -0.46 0.00 0.00 0.00 0.00 47.33 45.87 1bve h GLY 27 CO 0.00 0.89 0.23 0.00 0.00 0.00 0.00 176.54 177.66 1bve s ALA 28 N -3.98 1.27 -0.04 3.60 0.00 -0.87 -4.95 121.76 116.79 1bve s ALA 28 Ca -0.12 -0.35 0.21 0.00 0.00 0.00 0.00 51.96 51.70 1bve s ALA 28 Cb 0.08 -3.11 -0.32 0.00 0.00 0.00 0.00 23.12 19.78 1bve s ALA 28 CO 0.86 -2.60 0.43 -0.25 0.00 0.00 0.00 175.76 174.20 1bve n ASP 29 N -4.01 0.19 -0.67 0.00 8.00 -1.26 -2.82 116.55 115.98 1bve n ASP 29 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1bve n ASP 29 Cb 0.57 1.88 0.00 0.00 -0.02 0.00 0.00 41.12 43.56 1bve n ASP 29 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bve n ASP 30 N -2.27 0.67 -4.09 -2.24 -0.08 -1.26 -1.84 116.55 105.44 1bve n ASP 30 Ca -0.06 -0.50 -0.36 0.00 -1.51 0.00 0.00 54.79 52.36 1bve n ASP 30 Cb 0.60 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.96 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 -1.00 3.67 1.05 5.18 2.01 -1.15 0.14 115.64 125.54 1bve s THR 31 Ca 0.00 -2.93 -0.14 0.00 0.31 0.00 0.00 61.69 58.93 1bve s THR 31 Cb 0.00 -3.40 0.21 0.00 0.01 0.00 0.00 72.50 69.32 1bve s THR 31 CO 0.00 -0.87 1.10 0.54 -0.69 0.00 0.00 174.62 174.70 1bve s VAL 32 N -0.02 1.92 -0.30 3.82 0.11 -0.08 -0.87 120.40 124.98 1bve s VAL 32 Ca 0.17 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.08 1bve s VAL 32 Cb -0.20 -2.50 0.15 0.00 -1.53 0.00 0.00 36.38 32.30 1bve s VAL 32 CO -0.03 0.00 0.85 -0.76 -3.33 0.00 0.00 175.10 171.83 1bve s LEU 33 N -6.57 -0.80 0.60 2.54 1.02 0.43 -1.15 118.68 114.75 1bve s LEU 33 Ca 0.67 1.12 -0.16 0.00 0.02 0.00 0.00 54.13 55.77 1bve s LEU 33 Cb -0.17 1.94 -0.14 0.00 0.02 0.00 0.00 46.19 47.84 1bve s LEU 33 CO 0.57 -0.16 -0.30 -1.84 0.02 0.00 0.00 176.35 174.65 1bve n GLU 34 N 5.00 0.00 -1.50 1.70 -0.00 -1.10 -2.81 120.64 121.94 1bve n GLU 34 Ca -0.12 0.00 -0.45 0.00 -0.00 0.00 0.00 57.16 56.60 1bve n GLU 34 Cb 0.52 -0.92 -0.01 0.00 -0.00 0.00 0.00 31.44 31.02 1bve n GLU 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1bve n GLU 35 N 1.65 0.74 -3.08 3.44 1.02 0.27 -4.45 120.64 120.24 1bve n GLU 35 Ca 0.05 0.26 -0.07 0.00 -0.02 0.00 0.00 57.16 57.38 1bve n GLU 35 Cb 0.46 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.77 0.78 -3.37 3.49 0.00 -1.26 -4.95 117.12 112.57 1bve n MET 36 Ca 0.12 -1.70 -0.45 0.00 0.00 0.00 0.00 57.70 55.68 1bve n MET 36 Cb 0.32 2.03 -0.06 0.00 0.00 0.00 0.00 33.22 35.51 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 -2.53 6.10 0.29 3.17 0.15 -1.26 -5.06 113.70 114.56 1bve s SER 37 Ca 0.13 -1.66 0.07 0.00 0.70 0.00 0.00 55.95 55.20 1bve s SER 37 Cb -0.03 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1bve s SER 37 CO 0.10 -0.77 0.22 -0.76 1.20 0.00 0.00 173.24 173.23 1bve s LEU 38 N 1.58 3.66 -1.40 3.45 1.43 -1.26 -4.96 118.68 121.18 1bve s LEU 38 Ca 0.04 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1bve s LEU 38 Cb -0.28 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 1bve s LEU 38 CO 0.04 -0.18 2.43 -0.81 0.23 0.00 0.00 176.35 178.05 1bve n PRO 39 N -1.24 2.92 0.00 1.29 -0.04 -1.26 -4.96 135.00 131.71 1bve n PRO 39 Ca -0.05 -2.29 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1bve n PRO 39 Cb 0.59 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 1bve n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bve n GLY 40 N 3.95 0.40 2.68 0.55 0.00 -1.26 -4.87 105.19 106.64 1bve n GLY 40 Ca 0.60 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.54 -4.02 1.61 5.12 -1.26 -5.01 116.66 111.57 1bve n ARG 41 Ca 0.00 0.59 -0.10 0.00 -1.93 0.00 0.00 57.85 56.41 1bve n ARG 41 Cb 0.00 -4.43 -0.07 0.00 -1.16 0.00 0.00 32.46 26.80 1bve n ARG 41 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 1bve s TRP 42 N -3.26 0.50 -0.03 -1.55 1.48 -1.26 -4.28 118.94 110.54 1bve s TRP 42 Ca 0.31 -0.84 0.03 0.00 -1.06 0.00 0.00 56.10 54.54 1bve s TRP 42 Cb -0.04 -0.00 0.00 0.00 -1.16 0.00 0.00 33.47 32.27 1bve s TRP 42 CO 0.50 -0.86 -0.11 0.15 -4.06 0.00 0.00 176.95 172.57 1bve s LYS 43 N -4.03 1.08 0.23 3.25 1.02 -0.99 -4.81 119.74 115.50 1bve s LYS 43 Ca 0.24 -0.37 -0.30 0.00 0.02 0.00 0.00 55.97 55.56 1bve s LYS 43 Cb 0.02 -1.00 -0.09 0.00 -0.52 0.00 0.00 37.83 36.24 1bve s LYS 43 CO 0.07 0.15 1.00 -1.25 -0.92 0.00 0.00 175.35 174.40 1bve s PRO 44 N 0.10 4.76 0.00 -1.68 0.04 -1.26 0.30 135.00 137.26 1bve s PRO 44 Ca -0.02 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1bve s PRO 44 Cb -0.08 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.19 1bve s PRO 44 CO 0.01 0.36 0.00 0.36 0.04 0.00 0.00 177.00 177.77 1bve n LYS 45 N 1.61 0.00 -3.71 4.56 2.85 -0.67 -4.95 118.16 117.84 1bve n LYS 45 Ca -0.01 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.11 1bve n LYS 45 Cb 0.46 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.70 1bve n LYS 45 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1bve s MET 46 N -0.68 0.12 -0.12 -1.58 1.75 -1.26 -1.82 119.30 115.70 1bve s MET 46 Ca 0.00 0.50 -0.13 0.00 -1.25 0.00 0.00 55.69 54.81 1bve s MET 46 Cb 0.00 -0.17 -0.05 0.00 2.84 0.00 0.00 34.83 37.46 1bve s MET 46 CO 0.00 -0.21 0.30 0.96 -0.65 0.00 0.00 175.02 175.41 1bve s ILE 47 N 1.60 5.28 -0.35 10.11 -4.36 -0.28 -4.88 121.20 128.31 1bve s ILE 47 Ca -0.05 0.56 0.02 0.00 -0.26 0.00 0.00 60.65 60.92 1bve s ILE 47 Cb -0.11 -3.62 0.10 0.00 1.25 0.00 0.00 42.46 40.08 1bve s ILE 47 CO -0.07 0.46 0.09 -0.83 0.24 0.00 0.00 174.94 174.83 1bve s GLY 48 N -0.08 1.93 0.00 6.27 0.00 -1.26 -1.15 107.32 113.03 1bve s GLY 48 Ca 0.18 -2.46 0.00 0.00 0.00 0.00 0.00 44.72 42.44 1bve s GLY 48 CO 0.06 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.71 1bve n GLY 49 N 4.38 1.88 3.65 0.20 0.00 -1.07 -4.97 105.19 109.26 1bve n GLY 49 Ca 0.00 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 2.75 5.00 0.00 -0.61 1.01 -1.26 -4.30 121.20 123.79 1bve s ILE 50 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1bve s ILE 50 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1bve s ILE 50 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1bve n GLY 51 N 3.84 2.88 0.00 6.18 0.00 -1.26 -4.95 105.19 111.87 1bve n GLY 51 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 0.72 3.38 -0.02 0.00 -1.26 -5.14 105.19 102.87 1bve n GLY 52 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 2.85 0.14 1.61 0.40 -1.26 -2.61 117.98 117.11 1bve s PHE 53 Ca 0.00 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1bve s PHE 53 Cb 0.00 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 1bve s PHE 53 CO 0.00 -0.21 0.00 0.96 0.70 0.00 0.00 175.22 176.68 1bve s ILE 54 N 0.41 3.85 -0.22 0.64 -4.36 -0.30 -4.91 121.20 116.31 1bve s ILE 54 Ca -0.09 -1.26 -0.16 0.00 -0.26 0.00 0.00 60.65 58.88 1bve s ILE 54 Cb -0.16 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.62 1bve s ILE 54 CO 0.05 -0.03 0.43 -0.54 0.24 0.00 0.00 174.94 175.09 1bve s LYS 55 N -2.72 4.13 0.00 0.37 1.02 -1.26 -1.13 119.74 120.16 1bve s LYS 55 Ca 0.27 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.49 1bve s LYS 55 Cb -0.10 -3.58 -0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1bve s LYS 55 CO 0.19 -0.15 0.00 1.33 -0.92 0.00 0.00 175.35 175.80 1bve n VAL 56 N 4.63 0.00 -4.60 3.17 0.24 -0.76 -3.61 118.33 117.40 1bve n VAL 56 Ca -0.07 -0.02 -0.27 0.00 -2.04 0.00 0.00 64.34 61.93 1bve n VAL 56 Cb 0.51 0.01 -0.09 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 -2.01 1.95 -0.33 7.34 0.52 -0.06 -1.68 118.95 124.68 1bve s ARG 57 Ca 0.00 -2.17 -0.00 0.00 -0.52 0.00 0.00 55.73 53.04 1bve s ARG 57 Cb 0.00 -1.18 0.11 0.00 0.52 0.00 0.00 34.95 34.40 1bve s ARG 57 CO 0.00 -0.28 0.12 -1.14 0.02 0.00 0.00 175.30 174.02 1bve s GLN 58 N -3.80 0.83 -0.63 3.54 0.74 0.15 -2.82 119.66 117.66 1bve s GLN 58 Ca 0.24 -1.25 -0.17 0.00 0.05 0.00 0.00 55.36 54.23 1bve s GLN 58 Cb 0.05 -2.09 0.14 0.00 1.10 0.00 0.00 33.01 32.22 1bve s GLN 58 CO 0.12 -1.01 0.65 0.71 -0.55 0.00 0.00 175.29 175.21 1bve s TYR 59 N 1.39 3.26 0.18 1.67 2.02 -1.09 -2.35 117.35 122.43 1bve s TYR 59 Ca 0.11 -1.32 -0.27 0.00 -0.37 0.00 0.00 57.07 55.22 1bve s TYR 59 Cb -0.18 -3.90 -0.08 0.00 -0.40 0.00 0.00 41.96 37.39 1bve s TYR 59 CO -0.20 -1.13 0.84 -0.51 -1.57 0.00 0.00 175.55 172.98 1bve s ASP 60 N 3.34 7.48 -0.23 2.29 1.11 -1.26 -1.48 116.67 127.93 1bve s ASP 60 Ca 0.10 1.75 -0.01 0.00 0.18 0.00 0.00 52.55 54.57 1bve s ASP 60 Cb -0.23 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.20 1bve s ASP 60 CO 0.01 0.17 0.20 1.67 1.18 0.00 0.00 175.17 178.40 1bve n GLN 61 N 1.67 -0.49 -4.29 8.23 -0.06 -1.19 -4.94 117.38 116.31 1bve n GLN 61 Ca -0.04 0.21 -0.33 0.00 -2.00 0.00 0.00 57.00 54.83 1bve n GLN 61 Cb 0.48 -2.45 -0.15 0.00 -4.06 0.00 0.00 30.24 24.06 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1bve s ILE 62 N -3.08 2.64 -0.82 1.69 -1.09 -0.22 -4.80 121.20 115.52 1bve s ILE 62 Ca 0.10 -0.76 -0.25 0.00 -2.23 0.00 0.00 60.65 57.50 1bve s ILE 62 Cb -0.01 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.74 1bve s ILE 62 CO 0.16 0.50 1.64 -0.22 -1.23 0.00 0.00 174.94 175.80 1bve s LEU 63 N 1.08 3.28 -0.26 2.97 1.98 -1.26 -0.91 118.68 125.56 1bve s LEU 63 Ca -0.00 -0.55 -0.13 0.00 -2.89 0.00 0.00 54.13 50.56 1bve s LEU 63 Cb -0.14 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.11 1bve s LEU 63 CO -0.04 -2.13 0.27 -0.51 -1.89 0.00 0.00 176.35 172.04 1bve s ILE 64 N 7.55 5.27 -0.61 6.68 2.07 0.20 -4.22 121.20 138.13 1bve s ILE 64 Ca 0.55 0.37 -0.22 0.00 -1.41 0.00 0.00 60.65 59.94 1bve s ILE 64 Cb -0.07 -3.60 0.07 0.00 0.13 0.00 0.00 42.46 38.99 1bve s ILE 64 CO 0.06 0.25 0.88 -0.70 -1.91 0.00 0.00 174.94 173.52 1bve s GLU 65 N 1.62 3.13 -0.26 3.50 2.12 -0.80 -2.45 118.70 125.56 1bve s GLU 65 Ca 0.11 -0.84 -0.09 0.00 0.36 0.00 0.00 54.97 54.51 1bve s GLU 65 Cb -0.15 -4.19 -0.04 0.00 0.26 0.00 0.00 34.13 30.01 1bve s GLU 65 CO 0.09 -1.65 0.13 0.42 -0.54 0.00 0.00 175.26 173.71 1bve s ILE 66 N 3.64 4.88 -1.32 -3.70 1.09 -0.72 -2.15 121.20 122.93 1bve s ILE 66 Ca 0.21 0.02 -0.04 0.00 -1.10 0.00 0.00 60.65 59.74 1bve s ILE 66 Cb -0.18 -3.30 0.00 0.00 -1.06 0.00 0.00 42.46 37.92 1bve s ILE 66 CO 0.11 0.30 0.49 0.00 -0.10 0.00 0.00 174.94 175.74 1bve n GLY 68 N -1.39 0.46 3.67 0.00 0.00 -1.26 -4.99 105.19 101.68 1bve n GLY 68 Ca -0.10 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 1bve n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bve s HIS 69 N -1.81 3.19 -0.14 1.61 4.02 -0.54 -5.07 115.29 116.54 1bve s HIS 69 Ca 0.00 0.14 -0.28 0.00 1.02 0.00 0.00 55.06 55.93 1bve s HIS 69 Cb 0.00 -1.86 -0.01 0.00 -1.02 0.00 0.00 32.58 29.69 1bve s HIS 69 CO 0.00 0.38 0.98 0.21 1.02 0.00 0.00 174.74 177.32 1bve s LYS 70 N -0.55 4.36 0.04 1.40 2.20 -1.26 -1.75 119.74 124.17 1bve s LYS 70 Ca 0.10 1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 56.97 1bve s LYS 70 Cb -0.12 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1bve s LYS 70 CO 0.02 -0.38 0.06 0.00 -0.36 0.00 0.00 175.35 174.69 1bve s ALA 71 N 2.29 0.05 0.10 3.13 0.00 -1.03 -4.96 121.76 121.34 1bve s ALA 71 Ca 0.45 -0.68 0.08 0.00 0.00 0.00 0.00 51.96 51.81 1bve s ALA 71 Cb -0.17 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1bve s ALA 71 CO 0.14 -0.32 -0.21 0.42 0.00 0.00 0.00 175.76 175.79 1bve s ILE 72 N -2.79 1.70 0.00 0.00 -1.09 -1.26 0.60 121.20 118.37 1bve s ILE 72 Ca -0.03 -1.53 -0.28 0.00 -2.23 0.00 0.00 60.65 56.58 1bve s ILE 72 Cb -0.00 -1.54 0.10 0.00 -1.58 0.00 0.00 42.46 39.44 1bve s ILE 72 CO -0.06 -0.05 1.26 -0.83 -1.23 0.00 0.00 174.94 174.03 1bve s GLY 73 N -1.88 -0.20 -0.48 6.18 0.00 -0.09 -4.80 107.32 106.05 1bve s GLY 73 Ca 0.06 0.22 -0.24 0.00 0.00 0.00 0.00 44.72 44.76 1bve s GLY 73 CO 0.04 3.44 0.88 -1.59 0.00 0.00 0.00 173.10 175.86 1bve s THR 74 N -2.18 4.52 -0.41 0.90 2.01 -1.26 -1.05 115.64 118.17 1bve s THR 74 Ca 0.23 0.48 -0.16 0.00 0.31 0.00 0.00 61.69 62.56 1bve s THR 74 Cb 0.01 -4.42 0.02 0.00 0.01 0.00 0.00 72.50 68.12 1bve s THR 74 CO -0.01 -0.87 0.36 -0.69 -0.69 0.00 0.00 174.62 172.72 1bve s VAL 75 N 3.63 5.18 0.23 3.82 1.01 -0.55 -2.93 120.40 130.79 1bve s VAL 75 Ca 0.32 -0.46 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 1bve s VAL 75 Cb -0.12 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.21 1bve s VAL 75 CO 0.23 -0.34 0.98 -0.76 0.00 0.00 0.00 175.10 175.20 1bve s LEU 76 N 1.91 4.61 -0.19 3.92 1.02 -0.05 -2.68 118.68 127.22 1bve s LEU 76 Ca 0.09 1.99 0.01 0.00 0.02 0.00 0.00 54.13 56.23 1bve s LEU 76 Cb -0.18 -3.61 0.04 0.00 0.02 0.00 0.00 46.19 42.46 1bve s LEU 76 CO 0.12 0.07 -0.09 -0.69 0.02 0.00 0.00 176.35 175.77 1bve s VAL 77 N -0.99 1.56 0.00 -1.59 1.01 -1.13 0.16 120.40 119.42 1bve s VAL 77 Ca 0.43 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1bve s VAL 77 Cb -0.27 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1bve s VAL 77 CO 0.33 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1bve n GLY 78 N 4.71 3.63 1.56 4.51 0.00 -1.12 -0.88 105.19 117.61 1bve n GLY 78 Ca -0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 46.02 44.93 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 1.10 -3.14 1.61 -0.04 -1.24 0.95 135.00 134.25 1bve n PRO 79 Ca 0.00 -0.11 -0.39 0.00 -0.04 0.00 0.00 63.50 62.96 1bve n PRO 79 Cb 0.00 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.13 4.95 -1.37 0.52 -1.32 -1.26 -4.93 115.64 112.35 1bve s THR 80 Ca 0.07 1.32 0.00 0.00 -1.21 0.00 0.00 61.69 61.88 1bve s THR 80 Cb 0.03 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 67.05 1bve s THR 80 CO 0.00 0.36 0.59 -0.81 -2.21 0.00 0.00 174.62 172.54 1bve n PRO 81 N 3.12 0.86 -3.61 7.08 -0.04 -1.26 -3.82 135.00 137.33 1bve n PRO 81 Ca -0.05 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.32 1bve n PRO 81 Cb 0.51 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.37 0.00 -0.17 0.52 1.01 -1.26 -5.00 120.40 114.12 1bve s VAL 82 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1bve s VAL 82 Cb 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1bve s VAL 82 CO 0.00 0.00 0.12 0.20 0.00 0.00 0.00 175.10 175.42 1bve s ASN 83 N -2.80 6.13 -0.18 3.32 -0.87 -1.26 -2.71 114.94 116.57 1bve s ASN 83 Ca 0.06 0.26 0.01 0.00 -1.57 0.00 0.00 52.86 51.62 1bve s ASN 83 Cb -0.03 -2.04 0.02 0.00 -0.02 0.00 0.00 41.25 39.18 1bve s ASN 83 CO -0.04 0.24 -0.20 -0.63 -2.57 0.00 0.00 177.10 173.91 1bve s ILE 84 N -0.04 2.09 -0.90 0.60 -1.09 -0.30 -1.38 121.20 120.18 1bve s ILE 84 Ca 0.09 -0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 57.42 1bve s ILE 84 Cb -0.11 -1.88 0.18 0.00 -1.58 0.00 0.00 42.46 39.07 1bve s ILE 84 CO -0.00 0.54 0.97 -0.63 -1.23 0.00 0.00 174.94 174.59 1bve s ILE 85 N 1.29 5.23 0.00 2.92 -1.09 -1.16 -0.90 121.20 127.49 1bve s ILE 85 Ca 0.05 -2.15 0.00 0.00 -2.23 0.00 0.00 60.65 56.32 1bve s ILE 85 Cb -0.13 -4.63 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 1bve s ILE 85 CO -0.13 -1.27 0.00 0.61 -1.23 0.00 0.00 174.94 172.92 1bve n GLY 86 N 4.57 -1.09 0.36 6.18 0.00 0.12 -1.36 105.19 113.96 1bve n GLY 86 Ca 0.20 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.57 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 1.20 -0.73 1.61 3.08 -1.60 -0.87 114.38 117.08 1bve h ARG 87 Ca 0.00 -0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.19 1bve h ARG 87 Cb 0.00 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1bve h ARG 87 CO 0.00 0.79 0.89 -2.95 -1.07 0.00 0.00 179.97 177.63 1bve h ASN 88 N 1.24 0.00 0.00 7.04 -1.07 -1.61 0.14 115.58 121.32 1bve h ASN 88 Ca 0.36 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.61 1bve h ASN 88 Cb -0.07 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.15 1bve h ASN 88 CO -0.10 0.00 -1.59 0.18 0.07 0.00 0.00 177.43 175.99 1bve n LEU 89 N -3.37 0.00 0.00 6.14 7.99 -0.62 -4.23 117.00 122.91 1bve n LEU 89 Ca 0.16 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.24 1bve n LEU 89 Cb 1.13 0.16 0.44 0.00 -0.11 0.00 0.00 43.42 45.04 1bve n LEU 89 CO 0.24 0.16 0.78 0.18 -1.51 0.00 0.00 177.39 177.23 1bve n LEU 90 N -2.20 0.00 -0.01 2.23 4.77 0.35 -1.87 117.00 120.28 1bve n LEU 90 Ca -0.11 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1bve n LEU 90 Cb 0.64 -0.35 -0.16 0.00 -2.33 0.00 0.00 43.42 41.22 1bve n LEU 90 CO 0.21 -0.14 -0.69 0.35 -1.33 0.00 0.00 177.39 175.79 1bve n THR 91 N -1.35 0.00 0.07 -5.08 -2.24 -0.27 -1.27 114.28 104.14 1bve n THR 91 Ca 0.07 -0.44 -0.23 0.00 -2.27 0.00 0.00 64.05 61.19 1bve n THR 91 Cb 0.16 0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.38 -0.00 -0.78 1.08 -1.54 -3.26 115.11 110.99 1bve h GLN 92 Ca 0.00 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.54 1bve h GLN 92 Cb 0.91 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1bve h GLN 92 CO 0.00 1.31 -0.01 0.44 -0.95 0.00 0.00 178.83 179.62 1bve n ILE 93 N -3.73 0.00 -2.48 2.54 -6.64 -0.90 -4.93 119.36 103.22 1bve n ILE 93 Ca -0.23 -0.00 -0.08 0.00 -1.77 0.00 0.00 62.75 60.67 1bve n ILE 93 Cb 1.03 -0.47 0.04 0.00 -1.44 0.00 0.00 39.64 38.79 1bve n ILE 93 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1bve n GLY 94 N 1.37 -0.22 3.89 3.28 0.00 -1.23 -5.02 105.19 107.26 1bve n GLY 94 Ca 0.12 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.21 3.37 -0.16 4.61 0.00 -0.40 -5.03 121.76 120.94 1bve s ALA 95 Ca 0.24 -0.38 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 1bve s ALA 95 Cb -0.03 -2.65 0.06 0.00 0.00 0.00 0.00 23.12 20.50 1bve s ALA 95 CO 0.41 -0.23 0.37 0.95 0.00 0.00 0.00 175.76 177.25 1bve s THR 96 N -2.61 -0.21 -0.43 0.00 -4.23 -1.26 -4.93 115.64 101.97 1bve s THR 96 Ca 0.49 0.14 -0.25 0.00 -1.18 0.00 0.00 61.69 60.90 1bve s THR 96 Cb -0.10 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.20 1bve s THR 96 CO 0.40 0.06 0.87 -0.76 -0.54 0.00 0.00 174.62 174.65 1bve s LEU 97 N 1.76 4.08 -0.22 4.79 1.02 -1.26 -5.02 118.68 123.83 1bve s LEU 97 Ca -0.07 0.19 -0.05 0.00 0.02 0.00 0.00 54.13 54.22 1bve s LEU 97 Cb -0.10 -3.12 -0.02 0.00 0.02 0.00 0.00 46.19 42.97 1bve s LEU 97 CO -0.12 -0.93 0.01 0.20 0.02 0.00 0.00 176.35 175.54 1bve s ASN 98 N 2.09 4.78 0.00 2.29 0.02 -1.26 -5.30 114.94 117.56 1bve s ASN 98 Ca 0.35 -0.26 0.00 0.00 -1.02 0.00 0.00 52.86 51.93 1bve s ASN 98 Cb -0.11 -1.83 0.00 0.00 0.02 0.00 0.00 41.25 39.32 1bve s ASN 98 CO 0.23 0.01 0.11 2.22 0.02 0.00 0.00 177.10 179.68