#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 4.36 -0.61 0.54 0.74 -1.26 -5.00 119.66 118.42 1bve s GLN 2 Ca 0.00 0.91 -0.03 0.00 0.05 0.00 0.00 55.36 56.29 1bve s GLN 2 Cb 0.00 -3.51 0.16 0.00 1.10 0.00 0.00 33.01 30.76 1bve s GLN 2 CO 0.00 -0.12 0.43 0.08 -0.55 0.00 0.00 175.29 175.13 1bve s VAL 3 N 1.44 3.71 -0.27 1.34 1.01 -1.26 -4.86 120.40 121.52 1bve s VAL 3 Ca 0.37 -2.90 0.09 0.00 0.00 0.00 0.00 61.98 59.54 1bve s VAL 3 Cb -0.17 -3.43 0.45 0.00 0.00 0.00 0.00 36.38 33.23 1bve s VAL 3 CO 0.15 -0.87 1.30 0.35 0.00 0.00 0.00 175.10 176.03 1bve n THR 4 N 3.56 2.43 0.24 3.92 -2.24 -1.26 -4.70 114.28 116.23 1bve n THR 4 Ca 0.07 -3.39 -0.08 0.00 -2.27 0.00 0.00 64.05 58.38 1bve n THR 4 Cb 0.38 -0.53 0.06 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.01 4.28 -2.48 3.22 7.94 -1.26 -4.86 117.00 122.83 1bve n LEU 5 Ca 0.31 -2.22 0.00 0.00 -1.11 0.00 0.00 56.01 52.99 1bve n LEU 5 Cb 0.84 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1bve n LEU 5 CO 0.16 0.69 0.00 0.79 -1.11 0.00 0.00 177.39 177.92 1bve n TRP 6 N -0.06 0.00 -2.95 1.96 7.02 -1.26 -4.72 117.44 117.43 1bve n TRP 6 Ca 0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1bve n TRP 6 Cb 0.90 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.79 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 -0.87 0.00 -2.36 -0.99 6.02 -1.26 -5.10 117.38 112.82 1bve n GLN 7 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1bve n GLN 7 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 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 -0.01 3.89 -1.31 -1.09 0.52 -1.26 -4.90 118.95 114.78 1bve s ARG 8 Ca 0.00 1.32 -0.16 0.00 -0.52 0.00 0.00 55.73 56.37 1bve s ARG 8 Cb 0.00 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.56 1bve s ARG 8 CO 0.00 -1.16 2.12 -0.35 0.02 0.00 0.00 175.30 175.93 1bve n PRO 9 N 7.39 2.61 -3.33 3.54 -0.04 -1.26 -4.94 135.00 138.96 1bve n PRO 9 Ca 0.15 -2.52 -0.26 0.00 -0.04 0.00 0.00 63.50 60.83 1bve n PRO 9 Cb 0.46 -3.25 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 1bve n PRO 9 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bve s LEU 10 N 2.39 4.02 -0.13 1.53 2.96 -1.26 -2.56 118.68 125.63 1bve s LEU 10 Ca 0.50 0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 54.86 1bve s LEU 10 Cb 0.13 -3.42 0.03 0.00 0.50 0.00 0.00 46.19 43.43 1bve s LEU 10 CO -0.03 -0.26 0.36 0.68 -1.32 0.00 0.00 176.35 175.77 1bve s VAL 11 N -2.23 0.00 -0.82 1.68 -7.23 -0.87 -4.94 120.40 105.99 1bve s VAL 11 Ca 0.42 -0.03 -0.25 0.00 -1.81 0.00 0.00 61.98 60.31 1bve s VAL 11 Cb -0.10 -0.51 -0.01 0.00 0.56 0.00 0.00 36.38 36.32 1bve s VAL 11 CO 0.34 -0.01 1.73 -0.89 -0.31 0.00 0.00 175.10 175.96 1bve s THR 12 N 0.11 3.55 0.68 5.32 2.01 -1.26 -1.80 115.64 124.25 1bve s THR 12 Ca -0.01 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.70 1bve s THR 12 Cb -0.03 -4.32 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1bve s THR 12 CO 0.01 -1.26 1.07 0.27 -0.69 0.00 0.00 174.62 174.02 1bve s ILE 13 N 8.20 3.69 -0.28 1.82 -4.36 -0.66 -4.40 121.20 125.21 1bve s ILE 13 Ca 0.60 0.51 -0.00 0.00 -0.26 0.00 0.00 60.65 61.50 1bve s ILE 13 Cb -0.07 -3.54 0.09 0.00 1.25 0.00 0.00 42.46 40.19 1bve s ILE 13 CO 0.05 -0.70 0.05 -0.75 0.24 0.00 0.00 174.94 173.84 1bve s LYS 14 N -5.31 0.97 -0.21 0.37 2.20 -0.97 -2.70 119.74 114.09 1bve s LYS 14 Ca 0.57 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.12 1bve s LYS 14 Cb -0.11 -2.28 0.03 0.00 -1.51 0.00 0.00 37.83 33.96 1bve s LYS 14 CO 0.52 -0.86 -0.16 0.42 -0.36 0.00 0.00 175.35 174.90 1bve s ILE 15 N 1.51 2.16 -0.87 5.43 1.01 -1.01 -1.87 121.20 127.56 1bve s ILE 15 Ca 0.06 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.58 1bve s ILE 15 Cb -0.18 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1bve s ILE 15 CO -0.17 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1bve n GLY 16 N 4.58 0.48 2.71 6.18 0.00 -1.26 -2.18 105.19 115.69 1bve n GLY 16 Ca -0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.39 1.24 3.96 -0.02 0.00 -1.26 -5.02 105.19 102.70 1bve n GLY 17 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 1bve n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1bve s GLN 18 N -0.10 2.75 -0.04 1.61 2.00 -0.93 -5.08 119.66 119.88 1bve s GLN 18 Ca 0.00 -0.57 0.03 0.00 -2.00 0.00 0.00 55.36 52.82 1bve s GLN 18 Cb 0.00 -2.47 0.00 0.00 0.80 0.00 0.00 33.01 31.34 1bve s GLN 18 CO 0.00 -0.58 -0.11 -0.51 -0.50 0.00 0.00 175.29 173.59 1bve s LEU 19 N -4.74 1.79 -0.07 3.68 1.43 -1.26 -2.41 118.68 117.10 1bve s LEU 19 Ca 0.54 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 1bve s LEU 19 Cb -0.10 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.46 1bve s LEU 19 CO 0.39 0.08 0.39 -0.75 0.23 0.00 0.00 176.35 176.69 1bve s LYS 20 N 0.24 0.64 -0.52 1.70 2.47 -1.10 -4.98 119.74 118.19 1bve s LYS 20 Ca -0.05 0.14 -0.29 0.00 -1.56 0.00 0.00 55.97 54.22 1bve s LYS 20 Cb -0.10 0.29 0.03 0.00 -1.46 0.00 0.00 37.83 36.58 1bve s LYS 20 CO 0.01 -0.15 1.23 -1.21 0.16 0.00 0.00 175.35 175.39 1bve s GLU 21 N -0.72 3.57 -0.17 4.03 0.41 -1.26 -1.65 118.70 122.90 1bve s GLU 21 Ca -0.08 0.48 -0.11 0.00 -0.41 0.00 0.00 54.97 54.85 1bve s GLU 21 Cb -0.04 -3.99 -0.05 0.00 -1.78 0.00 0.00 34.13 28.27 1bve s GLU 21 CO 0.03 -1.59 0.19 0.00 -0.49 0.00 0.00 175.26 173.40 1bve s ALA 22 N 4.98 3.69 -0.56 5.21 0.00 -0.74 -4.12 121.76 130.22 1bve s ALA 22 Ca 0.48 -0.59 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1bve s ALA 22 Cb -0.08 -2.22 0.05 0.00 0.00 0.00 0.00 23.12 20.86 1bve s ALA 22 CO 0.29 0.22 0.91 -1.17 0.00 0.00 0.00 175.76 176.00 1bve s LEU 23 N 0.14 4.22 -0.30 0.00 2.96 0.34 -2.04 118.68 124.01 1bve s LEU 23 Ca 0.12 -0.48 -0.41 0.00 -0.22 0.00 0.00 54.13 53.14 1bve s LEU 23 Cb -0.12 -2.74 -0.16 0.00 0.50 0.00 0.00 46.19 43.67 1bve s LEU 23 CO 0.01 -1.22 1.72 0.18 -1.32 0.00 0.00 176.35 175.72 1bve n LEU 24 N 7.36 2.22 -3.81 -0.68 4.77 -1.06 -2.69 117.00 123.12 1bve n LEU 24 Ca 0.00 1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.79 1bve n LEU 24 Cb 0.47 -1.11 -0.12 0.00 -2.33 0.00 0.00 43.42 40.33 1bve n LEU 24 CO 0.63 -0.50 -0.14 -0.62 -1.33 0.00 0.00 177.39 175.43 1bve s ASP 25 N 3.41 4.04 0.32 -1.43 -1.08 0.26 -4.83 116.67 117.36 1bve s ASP 25 Ca 0.99 -3.35 0.24 0.00 -0.52 0.00 0.00 52.55 49.91 1bve s ASP 25 Cb -1.12 -1.36 1.14 0.00 -1.46 0.00 0.00 42.92 40.12 1bve s ASP 25 CO 0.67 -0.16 1.74 0.74 0.52 0.00 0.00 175.17 178.68 1bve h THR 26 N 4.81 0.00 -0.25 1.71 2.02 -1.89 -2.46 112.91 116.86 1bve h THR 26 Ca 0.09 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1bve h THR 26 Cb 0.84 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1bve h THR 26 CO 0.62 0.00 -0.04 1.23 0.37 0.00 0.00 175.52 177.70 1bve h GLY 27 N 1.28 0.50 -0.94 2.16 0.00 -1.90 -3.42 103.07 100.75 1bve h GLY 27 Ca 0.00 -0.40 -0.47 0.00 0.00 0.00 0.00 47.33 46.46 1bve h GLY 27 CO 0.00 0.37 0.26 0.00 0.00 0.00 0.00 176.54 177.17 1bve s ALA 28 N -4.81 1.52 -0.05 3.60 0.00 -0.92 -4.97 121.76 116.12 1bve s ALA 28 Ca -0.14 -0.29 0.22 0.00 0.00 0.00 0.00 51.96 51.76 1bve s ALA 28 Cb 0.07 -3.12 -0.34 0.00 0.00 0.00 0.00 23.12 19.74 1bve s ALA 28 CO 0.76 -2.39 0.49 -0.25 0.00 0.00 0.00 175.76 174.37 1bve n ASP 29 N -3.88 0.03 -3.71 0.00 8.00 -1.26 -3.00 116.55 112.73 1bve n ASP 29 Ca 0.06 -0.02 -0.23 0.00 0.71 0.00 0.00 54.79 55.31 1bve n ASP 29 Cb 0.57 1.97 -0.08 0.00 -0.02 0.00 0.00 41.12 43.56 1bve n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1bve s ASP 30 N -4.50 2.31 -0.80 -2.24 1.01 -1.26 -1.56 116.67 109.63 1bve s ASP 30 Ca -0.08 -1.75 -0.17 0.00 0.71 0.00 0.00 52.55 51.27 1bve s ASP 30 Cb 0.14 0.58 0.15 0.00 1.01 0.00 0.00 42.92 44.80 1bve s ASP 30 CO 0.91 -1.02 0.88 -0.89 0.21 0.00 0.00 175.17 175.26 1bve s THR 31 N -3.30 5.07 -0.26 -1.27 2.01 -1.16 -2.14 115.64 114.58 1bve s THR 31 Ca 0.31 -1.73 -0.25 0.00 0.31 0.00 0.00 61.69 60.33 1bve s THR 31 Cb 0.02 -4.59 -0.00 0.00 0.01 0.00 0.00 72.50 67.94 1bve s THR 31 CO 0.21 -1.23 0.86 0.54 -0.69 0.00 0.00 174.62 174.31 1bve s VAL 32 N 1.79 4.78 0.02 3.82 0.11 0.10 -0.88 120.40 130.15 1bve s VAL 32 Ca 0.22 1.53 0.05 0.00 -2.93 0.00 0.00 61.98 60.85 1bve s VAL 32 Cb -0.12 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.53 1bve s VAL 32 CO -0.05 -0.16 -0.14 -0.76 -3.33 0.00 0.00 175.10 170.66 1bve s LEU 33 N 2.98 2.82 0.98 2.54 1.02 0.37 -0.35 118.68 129.04 1bve s LEU 33 Ca 0.36 -0.31 -0.17 0.00 0.02 0.00 0.00 54.13 54.04 1bve s LEU 33 Cb -0.15 -1.63 0.05 0.00 0.02 0.00 0.00 46.19 44.48 1bve s LEU 33 CO 0.09 0.27 -0.23 -1.84 0.02 0.00 0.00 176.35 174.66 1bve n GLU 34 N 1.61 -1.33 -1.70 1.70 0.00 -0.98 -1.84 120.64 118.11 1bve n GLU 34 Ca -0.16 -0.39 -0.39 0.00 0.00 0.00 0.00 57.16 56.23 1bve n GLU 34 Cb 0.52 -1.38 0.04 0.00 0.00 0.00 0.00 31.44 30.62 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bve n GLU 35 N -0.48 1.53 -2.65 3.44 0.00 0.62 -3.82 120.64 119.28 1bve n GLU 35 Ca 0.02 0.56 -0.04 0.00 0.00 0.00 0.00 57.16 57.70 1bve n GLU 35 Cb 0.48 -2.41 0.01 0.00 0.00 0.00 0.00 31.44 29.53 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1bve n MET 36 N -0.73 0.51 -3.90 5.31 0.00 -1.26 -4.92 117.12 112.13 1bve n MET 36 Ca 0.10 -1.06 -0.35 0.00 0.00 0.00 0.00 57.70 56.39 1bve n MET 36 Cb 0.44 1.36 -0.14 0.00 0.00 0.00 0.00 33.22 34.88 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 -2.24 4.47 0.13 3.17 0.15 -1.26 -5.05 113.70 113.07 1bve s SER 37 Ca 0.11 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.44 1bve s SER 37 Cb -0.02 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1bve s SER 37 CO 0.05 -0.01 -0.09 -0.76 1.20 0.00 0.00 173.24 173.62 1bve s LEU 38 N 1.46 2.50 0.11 3.45 1.43 -1.26 -4.88 118.68 121.49 1bve s LEU 38 Ca 0.05 -0.98 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 1bve s LEU 38 Cb -0.14 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.75 1bve s LEU 38 CO -0.02 -0.35 1.09 -2.16 0.23 0.00 0.00 176.35 175.14 1bve s PRO 39 N -3.60 4.55 -0.02 1.29 0.04 -1.26 -4.94 135.00 131.06 1bve s PRO 39 Ca 0.13 1.65 -0.35 0.00 0.04 0.00 0.00 61.00 62.48 1bve s PRO 39 Cb 0.02 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 1bve s PRO 39 CO -0.01 -0.03 0.95 0.41 0.04 0.00 0.00 177.00 178.36 1bve n GLY 40 N 2.56 -0.22 0.00 0.56 0.00 -1.26 -4.59 105.19 102.24 1bve n GLY 40 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 1.41 0.00 -2.77 1.61 1.74 -1.26 -5.15 116.66 112.24 1bve n ARG 41 Ca 0.18 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.19 1bve n ARG 41 Cb 0.06 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 1bve n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1bve n TRP 42 N 0.00 -0.22 -3.89 -1.55 4.27 -1.26 -3.49 117.44 111.30 1bve n TRP 42 Ca 0.00 -0.94 -0.09 0.00 -3.89 0.00 0.00 57.50 52.57 1bve n TRP 42 Cb 0.00 0.08 -0.06 0.00 -1.36 0.00 0.00 31.31 29.97 1bve n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bve s LYS 43 N -2.47 1.12 0.36 -2.67 3.01 -0.77 -4.92 119.74 113.40 1bve s LYS 43 Ca 0.13 -1.06 -0.25 0.00 -1.01 0.00 0.00 55.97 53.78 1bve s LYS 43 Cb 0.01 0.40 -0.10 0.00 -1.01 0.00 0.00 37.83 37.12 1bve s LYS 43 CO 0.09 -0.41 0.98 -1.25 0.51 0.00 0.00 175.35 175.27 1bve s PRO 44 N -3.92 4.40 -0.06 -1.68 0.04 -1.26 0.69 135.00 133.20 1bve s PRO 44 Ca 0.13 1.36 -0.09 0.00 0.04 0.00 0.00 61.00 62.44 1bve s PRO 44 Cb 0.03 -2.63 0.02 0.00 0.04 0.00 0.00 34.50 31.96 1bve s PRO 44 CO -0.03 0.10 0.23 0.15 0.04 0.00 0.00 177.00 177.48 1bve s LYS 45 N -2.35 0.35 -0.27 4.56 -0.14 -0.93 -4.70 119.74 116.25 1bve s LYS 45 Ca 0.54 0.14 0.02 0.00 -1.36 0.00 0.00 55.97 55.32 1bve s LYS 45 Cb -0.18 0.16 0.07 0.00 -1.68 0.00 0.00 37.83 36.20 1bve s LYS 45 CO 0.24 -0.06 -0.05 -1.64 -0.76 0.00 0.00 175.35 173.07 1bve s MET 46 N -0.29 1.84 -0.17 1.68 -1.94 -1.26 -0.82 119.30 118.34 1bve s MET 46 Ca -0.04 -1.37 -0.08 0.00 -1.71 0.00 0.00 55.69 52.49 1bve s MET 46 Cb -0.03 -2.85 -0.04 0.00 2.01 0.00 0.00 34.83 33.92 1bve s MET 46 CO 0.01 -0.68 0.10 0.96 -0.01 0.00 0.00 175.02 175.40 1bve s ILE 47 N 1.15 5.13 -0.32 2.53 -4.36 -1.07 -4.89 121.20 119.37 1bve s ILE 47 Ca -0.03 0.08 0.01 0.00 -0.26 0.00 0.00 60.65 60.46 1bve s ILE 47 Cb -0.19 -3.30 0.08 0.00 1.25 0.00 0.00 42.46 40.29 1bve s ILE 47 CO -0.07 0.49 0.01 -0.83 0.24 0.00 0.00 174.94 174.78 1bve s GLY 48 N 0.04 1.82 0.00 6.27 0.00 -1.26 -1.10 107.32 113.08 1bve s GLY 48 Ca 0.08 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.67 1bve s GLY 48 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 173.10 174.51 1bve n GLY 49 N 4.44 1.74 3.59 0.20 0.00 -1.03 -4.95 105.19 109.19 1bve n GLY 49 Ca -0.06 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 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 2.59 4.83 0.00 -0.61 1.01 -1.26 -4.16 121.20 123.60 1bve s ILE 50 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1bve s ILE 50 Cb 0.00 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1bve s ILE 50 CO 0.00 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1bve n GLY 51 N 4.44 3.10 0.00 6.18 0.00 -1.26 -4.98 105.19 112.66 1bve n GLY 51 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.59 3.90 -0.02 0.00 -1.26 -5.15 105.19 102.07 1bve n GLY 52 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -3.00 3.36 0.31 1.61 0.40 -1.26 -2.46 117.98 116.93 1bve s PHE 53 Ca 0.00 0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.41 1bve s PHE 53 Cb 0.00 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1bve s PHE 53 CO 0.00 0.51 0.14 0.96 0.70 0.00 0.00 175.22 177.53 1bve s ILE 54 N -1.79 0.46 0.02 0.64 -4.36 -0.26 -4.97 121.20 110.94 1bve s ILE 54 Ca 0.33 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.78 1bve s ILE 54 Cb -0.10 -2.54 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1bve s ILE 54 CO 0.27 0.00 -0.14 -0.54 0.24 0.00 0.00 174.94 174.77 1bve s LYS 55 N -3.86 2.27 0.26 0.37 1.02 -1.26 -2.60 119.74 115.94 1bve s LYS 55 Ca 0.35 -0.88 0.03 0.00 0.02 0.00 0.00 55.97 55.49 1bve s LYS 55 Cb 0.06 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 1bve s LYS 55 CO 0.16 0.57 0.28 1.33 -0.92 0.00 0.00 175.35 176.77 1bve n VAL 56 N 1.58 0.00 -3.66 3.17 0.24 0.00 -3.34 118.33 116.32 1bve n VAL 56 Ca -0.16 -1.67 -0.29 0.00 -2.04 0.00 0.00 64.34 60.18 1bve n VAL 56 Cb 0.52 0.90 -0.13 0.00 -1.47 0.00 0.00 33.84 33.67 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 -2.87 1.20 -0.91 7.34 0.52 0.15 -2.18 118.95 122.20 1bve s ARG 57 Ca 0.27 -1.97 -0.17 0.00 -0.52 0.00 0.00 55.73 53.34 1bve s ARG 57 Cb 0.01 -2.16 -0.25 0.00 0.52 0.00 0.00 34.95 33.06 1bve s ARG 57 CO 0.19 -1.19 2.30 0.94 0.02 0.00 0.00 175.30 177.57 1bve n GLN 58 N 3.51 0.22 -2.93 3.54 7.27 0.22 -3.05 117.38 126.15 1bve n GLN 58 Ca 0.11 -0.24 -0.44 0.00 0.07 0.00 0.00 57.00 56.50 1bve n GLN 58 Cb 0.36 -1.96 -0.03 0.00 2.41 0.00 0.00 30.24 31.02 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 5.91 2.93 0.08 3.69 2.02 -0.69 -1.85 117.35 129.45 1bve s TYR 59 Ca 1.20 -0.99 -0.30 0.00 -0.37 0.00 0.00 57.07 56.60 1bve s TYR 59 Cb -0.66 -4.24 -0.05 0.00 -0.40 0.00 0.00 41.96 36.62 1bve s TYR 59 CO 0.41 -1.52 0.99 -0.51 -1.57 0.00 0.00 175.55 173.35 1bve s ASP 60 N 3.63 7.42 0.00 2.29 1.11 -1.23 -1.42 116.67 128.47 1bve s ASP 60 Ca 0.25 1.80 0.00 0.00 0.18 0.00 0.00 52.55 54.78 1bve s ASP 60 Cb -0.13 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.28 1bve s ASP 60 CO 0.01 -0.16 0.00 0.00 1.18 0.00 0.00 175.17 176.20 1bve n GLN 61 N 3.12 0.00 -4.05 8.23 1.13 -0.73 -4.92 117.38 120.16 1bve n GLN 61 Ca 0.04 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.83 1bve n GLN 61 Cb 0.49 -1.36 -0.15 0.00 0.11 0.00 0.00 30.24 29.33 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 -2.91 2.71 -1.19 5.09 -1.09 -0.02 -4.79 121.20 119.00 1bve s ILE 62 Ca 0.00 -0.72 -0.22 0.00 -2.23 0.00 0.00 60.65 57.48 1bve s ILE 62 Cb 0.00 -2.19 -0.04 0.00 -1.58 0.00 0.00 42.46 38.64 1bve s ILE 62 CO 0.00 0.48 1.88 -0.22 -1.23 0.00 0.00 174.94 175.85 1bve s LEU 63 N 1.35 3.26 -0.29 2.97 1.98 -1.26 -1.50 118.68 125.18 1bve s LEU 63 Ca 0.05 -1.77 -0.22 0.00 -2.89 0.00 0.00 54.13 49.29 1bve s LEU 63 Cb -0.14 -2.58 -0.00 0.00 0.66 0.00 0.00 46.19 44.12 1bve s LEU 63 CO -0.08 -2.57 0.74 -0.51 -1.89 0.00 0.00 176.35 172.04 1bve s ILE 64 N 9.21 4.86 -0.39 6.68 2.07 0.35 -4.28 121.20 139.69 1bve s ILE 64 Ca 0.64 1.15 -0.19 0.00 -1.41 0.00 0.00 60.65 60.85 1bve s ILE 64 Cb -0.00 -4.08 0.01 0.00 0.13 0.00 0.00 42.46 38.52 1bve s ILE 64 CO 0.10 -0.17 0.53 -0.70 -1.91 0.00 0.00 174.94 172.80 1bve s GLU 65 N 2.80 3.40 -0.29 3.50 2.12 -0.78 -1.59 118.70 127.86 1bve s GLU 65 Ca 0.30 -0.37 -0.11 0.00 0.36 0.00 0.00 54.97 55.15 1bve s GLU 65 Cb -0.15 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.32 1bve s GLU 65 CO 0.11 -0.80 0.20 0.42 -0.54 0.00 0.00 175.26 174.65 1bve s ILE 66 N 2.45 5.25 -1.18 -3.70 1.09 -0.93 -2.30 121.20 121.88 1bve s ILE 66 Ca 0.18 0.05 -0.05 0.00 -1.10 0.00 0.00 60.65 59.73 1bve s ILE 66 Cb -0.15 -3.55 -0.02 0.00 -1.06 0.00 0.00 42.46 37.67 1bve s ILE 66 CO 0.15 0.19 0.85 0.00 -0.10 0.00 0.00 174.94 176.02 1bve n GLY 68 N -1.39 1.16 3.18 0.00 0.00 -1.26 -4.89 105.19 101.99 1bve n GLY 68 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.99 3.53 0.18 1.61 3.76 0.04 -5.05 115.29 117.36 1bve s HIS 69 Ca 0.00 -2.41 -0.31 0.00 -0.15 0.00 0.00 55.06 52.19 1bve s HIS 69 Cb 0.00 -3.43 -0.17 0.00 1.11 0.00 0.00 32.58 30.10 1bve s HIS 69 CO 0.00 -0.90 0.82 1.17 -0.85 0.00 0.00 174.74 174.98 1bve n LYS 70 N 3.76 0.47 -3.65 1.40 4.81 -1.26 -2.19 118.16 121.50 1bve n LYS 70 Ca 0.08 0.17 -0.04 0.00 -0.87 0.00 0.00 58.31 57.65 1bve n LYS 70 Cb 0.41 -1.41 -0.06 0.00 0.02 0.00 0.00 35.03 33.99 1bve n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bve s ALA 71 N -0.68 -1.89 0.19 3.14 0.00 -0.62 -4.84 121.76 117.05 1bve s ALA 71 Ca 0.69 2.31 -0.03 0.00 0.00 0.00 0.00 51.96 54.93 1bve s ALA 71 Cb -0.93 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1bve s ALA 71 CO 0.56 -0.65 0.42 0.42 0.00 0.00 0.00 175.76 176.51 1bve s ILE 72 N 2.27 5.15 0.00 0.00 -1.09 -1.26 0.13 121.20 126.40 1bve s ILE 72 Ca -0.08 -0.10 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1bve s ILE 72 Cb -0.09 -3.68 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 1bve s ILE 72 CO -0.19 -0.10 0.23 0.61 -1.23 0.00 0.00 174.94 174.26 1bve n GLY 73 N -0.37 0.67 3.45 6.18 0.00 -0.56 -4.81 105.19 109.75 1bve n GLY 73 Ca -0.03 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.19 5.17 -0.41 2.61 2.01 -1.26 -0.84 115.64 120.73 1bve s THR 74 Ca 0.05 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.28 1bve s THR 74 Cb -0.00 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1bve s THR 74 CO 0.00 -0.43 0.33 -0.69 -0.69 0.00 0.00 174.62 173.14 1bve s VAL 75 N 1.89 5.22 -0.71 3.82 1.01 -0.51 -2.97 120.40 128.15 1bve s VAL 75 Ca 0.08 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1bve s VAL 75 Cb -0.19 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1bve s VAL 75 CO 0.11 -0.34 1.30 -0.76 0.00 0.00 0.00 175.10 175.41 1bve s LEU 76 N 1.79 3.21 -0.21 3.92 1.02 -0.05 -1.70 118.68 126.65 1bve s LEU 76 Ca 0.07 -0.32 -0.23 0.00 0.02 0.00 0.00 54.13 53.67 1bve s LEU 76 Cb -0.19 -2.65 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 1bve s LEU 76 CO 0.11 -1.82 0.73 -0.69 0.02 0.00 0.00 176.35 174.70 1bve s VAL 77 N 5.81 4.93 0.00 -1.59 1.01 -1.17 -0.48 120.40 128.91 1bve s VAL 77 Ca 0.38 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1bve s VAL 77 Cb -0.08 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1bve s VAL 77 CO 0.17 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1bve n GLY 78 N 3.79 2.72 1.57 4.51 0.00 -0.76 0.34 105.19 117.36 1bve n GLY 78 Ca 0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 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 1.13 -2.83 1.61 -0.04 -1.21 0.23 135.00 133.89 1bve n PRO 79 Ca 0.00 -0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 62.86 1bve n PRO 79 Cb 0.00 -1.12 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1bve n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bve s THR 80 N -0.14 4.18 -1.43 0.52 -1.32 -1.26 -4.92 115.64 111.28 1bve s THR 80 Ca 0.07 1.93 0.00 0.00 -1.21 0.00 0.00 61.69 62.48 1bve s THR 80 Cb 0.04 -4.23 0.00 0.00 -1.51 0.00 0.00 72.50 66.80 1bve s THR 80 CO -0.00 0.47 0.67 -0.81 -2.21 0.00 0.00 174.62 172.73 1bve n PRO 81 N 1.42 0.94 -3.57 7.08 -0.04 -1.26 -4.01 135.00 135.56 1bve n PRO 81 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 1bve n PRO 81 Cb 0.48 -1.27 -0.02 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.43 0.00 -0.94 0.52 1.01 -1.26 -5.02 120.40 113.28 1bve s VAL 82 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1bve s VAL 82 Cb 0.00 -1.34 0.24 0.00 0.00 0.00 0.00 36.38 35.29 1bve s VAL 82 CO 0.00 0.00 0.90 0.20 0.00 0.00 0.00 175.10 176.20 1bve s ASN 83 N -2.79 6.90 -0.17 3.32 0.01 -1.26 -2.33 114.94 118.62 1bve s ASN 83 Ca 0.05 -3.12 -0.21 0.00 -0.71 0.00 0.00 52.86 48.86 1bve s ASN 83 Cb -0.03 -2.18 -0.03 0.00 0.41 0.00 0.00 41.25 39.42 1bve s ASN 83 CO -0.06 -0.43 0.63 -0.63 -1.51 0.00 0.00 177.10 175.10 1bve s ILE 84 N -0.51 5.04 0.33 0.60 1.01 0.53 -0.50 121.20 127.70 1bve s ILE 84 Ca 0.24 1.22 -0.16 0.00 0.00 0.00 0.00 60.65 61.94 1bve s ILE 84 Cb -0.10 -3.95 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 1bve s ILE 84 CO -0.09 0.16 0.77 -0.63 0.00 0.00 0.00 174.94 175.15 1bve s ILE 85 N 1.58 4.62 0.01 2.92 1.09 -1.09 -0.72 121.20 129.61 1bve s ILE 85 Ca 0.30 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 60.91 1bve s ILE 85 Cb -0.16 -3.63 -0.00 0.00 -1.06 0.00 0.00 42.46 37.61 1bve s ILE 85 CO 0.12 -0.17 0.00 0.61 -0.10 0.00 0.00 174.94 175.40 1bve n GLY 86 N -0.31 4.13 0.26 6.18 0.00 -0.91 -0.57 105.19 113.98 1bve n GLY 86 Ca 0.04 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.10 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 0.00 -0.20 1.61 2.47 -1.44 -0.54 114.38 116.29 1bve h ARG 87 Ca -0.01 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 1bve h ARG 87 Cb 0.03 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1bve h ARG 87 CO 0.01 0.10 0.16 -2.95 0.56 0.00 0.00 179.97 177.86 1bve h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.58 -1.66 115.58 118.31 1bve h ASN 88 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 1bve h ASN 88 Cb 0.23 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.45 1bve h ASN 88 CO 0.01 0.00 -2.03 0.18 0.07 0.00 0.00 177.43 175.66 1bve n LEU 89 N -4.24 0.00 0.00 6.14 7.99 -0.34 -4.06 117.00 122.49 1bve n LEU 89 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.10 1bve n LEU 89 Cb 0.30 0.19 0.46 0.00 -0.11 0.00 0.00 43.42 44.26 1bve n LEU 89 CO 0.33 0.19 0.75 0.18 -1.51 0.00 0.00 177.39 177.33 1bve n LEU 90 N -2.38 0.00 -0.01 2.23 4.77 -0.43 -1.61 117.00 119.57 1bve n LEU 90 Ca -0.15 0.24 0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1bve n LEU 90 Cb 0.76 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.46 1bve n LEU 90 CO 0.39 -0.10 -0.47 0.35 -1.33 0.00 0.00 177.39 176.23 1bve n THR 91 N -1.24 0.00 0.04 -5.08 -2.24 -0.74 -1.15 114.28 103.87 1bve n THR 91 Ca 0.09 -0.30 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1bve n THR 91 Cb 0.13 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.34 -0.02 -0.78 1.08 -1.46 -3.30 115.11 110.97 1bve h GLN 92 Ca 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1bve h GLN 92 Cb 0.76 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1bve h GLN 92 CO 0.00 1.28 0.00 0.44 -0.95 0.00 0.00 178.83 179.60 1bve n ILE 93 N -3.64 0.02 -3.03 2.54 -5.35 -1.07 -4.92 119.36 103.90 1bve n ILE 93 Ca -0.27 -0.15 -0.13 0.00 -0.27 0.00 0.00 62.75 61.94 1bve n ILE 93 Cb 1.03 0.07 0.07 0.00 -1.74 0.00 0.00 39.64 39.07 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 1.08 -0.23 3.86 3.28 0.00 -1.24 -5.00 105.19 106.94 1bve n GLY 94 Ca 0.20 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.27 3.21 -0.12 4.61 0.00 -0.30 -5.03 121.76 120.85 1bve s ALA 95 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.90 1bve s ALA 95 Cb -0.01 -2.91 0.05 0.00 0.00 0.00 0.00 23.12 20.26 1bve s ALA 95 CO 0.55 -0.18 0.29 0.95 0.00 0.00 0.00 175.76 177.37 1bve s THR 96 N -2.56 -0.03 -0.61 0.00 -4.23 -1.26 -4.87 115.64 102.07 1bve s THR 96 Ca 0.55 0.12 -0.21 0.00 -1.18 0.00 0.00 61.69 60.97 1bve s THR 96 Cb -0.10 -0.44 0.08 0.00 1.34 0.00 0.00 72.50 73.38 1bve s THR 96 CO 0.34 0.05 0.82 -0.76 -0.54 0.00 0.00 174.62 174.53 1bve s LEU 97 N 1.20 4.84 -0.24 4.79 1.02 -1.26 -5.02 118.68 124.01 1bve s LEU 97 Ca -0.09 -1.13 -0.09 0.00 0.02 0.00 0.00 54.13 52.84 1bve s LEU 97 Cb -0.09 -2.40 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1bve s LEU 97 CO -0.09 -1.24 0.13 0.20 0.02 0.00 0.00 176.35 175.36 1bve s ASN 98 N 3.52 5.76 0.00 2.29 0.02 -1.26 -5.32 114.94 119.95 1bve s ASN 98 Ca 0.18 -0.01 0.00 0.00 -1.02 0.00 0.00 52.86 52.01 1bve s ASN 98 Cb -0.20 -2.04 0.00 0.00 0.02 0.00 0.00 41.25 39.03 1bve s ASN 98 CO 0.09 0.03 0.00 2.22 0.02 0.00 0.00 177.10 179.46