#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 4.31 -0.07 -0.52 0.74 -1.26 -5.06 119.66 117.81 1bve s GLN 2 Ca 0.00 0.47 0.03 0.00 0.05 0.00 0.00 55.36 55.91 1bve s GLN 2 Cb 0.00 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1bve s GLN 2 CO 0.00 0.08 -0.17 0.08 -0.55 0.00 0.00 175.29 174.73 1bve s VAL 3 N 0.88 1.47 -0.39 1.34 1.01 -1.26 -5.02 120.40 118.43 1bve s VAL 3 Ca 0.26 -0.70 0.11 0.00 0.00 0.00 0.00 61.98 61.65 1bve s VAL 3 Cb -0.15 -1.29 0.40 0.00 0.00 0.00 0.00 36.38 35.33 1bve s VAL 3 CO 0.11 0.43 1.21 0.35 0.00 0.00 0.00 175.10 177.19 1bve n THR 4 N 3.50 0.23 -1.26 3.92 -2.24 -1.26 -4.97 114.28 112.19 1bve n THR 4 Ca -0.20 -2.00 -0.27 0.00 -2.27 0.00 0.00 64.05 59.30 1bve n THR 4 Cb 0.52 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.33 7.04 -2.18 3.22 7.94 -1.26 -4.89 117.00 126.55 1bve n LEU 5 Ca 0.02 -3.95 0.00 0.00 -1.11 0.00 0.00 56.01 50.97 1bve n LEU 5 Cb 0.82 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1bve n LEU 5 CO 0.03 1.45 0.00 0.79 -1.11 0.00 0.00 177.39 178.55 1bve n TRP 6 N -0.13 0.00 -3.55 1.96 7.02 -1.26 -4.68 117.44 116.81 1bve n TRP 6 Ca 0.47 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.94 1bve n TRP 6 Cb 0.56 0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.46 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 -0.86 0.30 -1.80 -0.99 3.00 -1.26 -5.09 117.38 110.67 1bve n GLN 7 Ca 0.00 -0.65 -0.43 0.00 -0.01 0.00 0.00 57.00 55.91 1bve n GLN 7 Cb 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 30.24 31.07 1bve n GLN 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1bve s ARG 8 N -2.02 3.33 -1.15 -1.09 0.52 -1.26 -4.87 118.95 112.40 1bve s ARG 8 Ca 0.08 1.81 -0.21 0.00 -0.52 0.00 0.00 55.73 56.90 1bve s ARG 8 Cb -0.01 -4.26 0.03 0.00 0.52 0.00 0.00 34.95 31.22 1bve s ARG 8 CO 0.03 -1.87 1.70 -1.25 0.02 0.00 0.00 175.30 173.93 1bve s PRO 9 N 5.82 3.47 0.23 3.54 0.04 -1.26 -4.97 135.00 141.88 1bve s PRO 9 Ca 0.90 -1.40 -0.11 0.00 0.04 0.00 0.00 61.00 60.42 1bve s PRO 9 Cb -0.29 -5.38 -0.07 0.00 0.04 0.00 0.00 34.50 28.79 1bve s PRO 9 CO 0.34 -2.63 0.58 -0.51 0.04 0.00 0.00 177.00 174.82 1bve s LEU 10 N 6.16 4.18 -0.01 -3.56 1.43 -1.26 -3.15 118.68 122.47 1bve s LEU 10 Ca 0.55 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.68 1bve s LEU 10 Cb 0.01 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1bve s LEU 10 CO 0.02 -0.06 -0.05 0.68 0.23 0.00 0.00 176.35 177.17 1bve s VAL 11 N -1.78 0.40 -0.69 -1.59 -7.23 -0.48 -4.87 120.40 104.17 1bve s VAL 11 Ca 0.47 -0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 60.19 1bve s VAL 11 Cb -0.12 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.45 1bve s VAL 11 CO 0.20 0.13 1.69 -0.89 -0.31 0.00 0.00 175.10 175.93 1bve s THR 12 N 0.12 3.48 0.16 5.32 2.01 -1.26 -1.35 115.64 124.12 1bve s THR 12 Ca -0.01 0.18 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 1bve s THR 12 Cb -0.05 -4.25 -0.07 0.00 0.01 0.00 0.00 72.50 68.14 1bve s THR 12 CO -0.00 -1.21 0.61 0.27 -0.69 0.00 0.00 174.62 173.60 1bve s ILE 13 N 8.10 4.74 -0.41 1.82 -4.36 -0.76 -4.37 121.20 125.96 1bve s ILE 13 Ca 0.58 1.04 -0.09 0.00 -0.26 0.00 0.00 60.65 61.92 1bve s ILE 13 Cb -0.10 -3.80 0.07 0.00 1.25 0.00 0.00 42.46 39.88 1bve s ILE 13 CO 0.16 0.28 0.24 -0.75 0.24 0.00 0.00 174.94 175.12 1bve s LYS 14 N -1.83 2.59 -0.13 0.37 2.47 -0.96 -2.09 119.74 120.15 1bve s LYS 14 Ca 0.38 -1.44 0.02 0.00 -1.56 0.00 0.00 55.97 53.37 1bve s LYS 14 Cb -0.16 -3.75 0.01 0.00 -1.46 0.00 0.00 37.83 32.47 1bve s LYS 14 CO 0.20 -0.93 -0.19 0.42 0.16 0.00 0.00 175.35 175.00 1bve s ILE 15 N 1.42 1.87 -1.04 5.43 1.01 -1.02 -1.56 121.20 127.31 1bve s ILE 15 Ca 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1bve s ILE 15 Cb -0.23 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.57 1bve s ILE 15 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.08 1bve n GLY 16 N 4.19 1.11 1.83 6.18 0.00 -1.26 -1.73 105.19 115.51 1bve n GLY 16 Ca -0.20 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.43 0.80 3.48 -0.02 0.00 -1.26 -5.04 105.19 101.73 1bve n GLY 17 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1bve n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bve n GLN 18 N -2.04 0.64 -3.76 1.61 1.13 -0.70 -5.09 117.38 109.16 1bve n GLN 18 Ca 0.00 -2.78 -0.15 0.00 -1.94 0.00 0.00 57.00 52.14 1bve n GLN 18 Cb 0.00 -0.22 -0.15 0.00 0.11 0.00 0.00 30.24 29.97 1bve n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1bve s LEU 19 N 0.00 0.90 0.00 1.08 1.43 -1.26 -2.43 118.68 118.41 1bve s LEU 19 Ca 0.54 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1bve s LEU 19 Cb -0.04 0.09 -0.00 0.00 0.03 0.00 0.00 46.19 46.26 1bve s LEU 19 CO 0.35 -0.14 0.02 0.29 0.23 0.00 0.00 176.35 177.09 1bve n LYS 20 N 4.24 0.03 -4.04 1.70 4.76 -0.89 -4.97 118.16 118.99 1bve n LYS 20 Ca -0.27 -0.16 -0.33 0.00 -2.87 0.00 0.00 58.31 54.69 1bve n LYS 20 Cb 0.51 0.14 -0.06 0.00 -1.84 0.00 0.00 35.03 33.77 1bve n LYS 20 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1bve s GLU 21 N -2.06 3.15 -0.03 1.97 2.02 -1.26 -1.83 118.70 120.66 1bve s GLU 21 Ca 0.02 -0.47 0.03 0.00 0.02 0.00 0.00 54.97 54.57 1bve s GLU 21 Cb 0.00 -2.91 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 1bve s GLU 21 CO 0.01 0.64 -0.12 0.00 0.02 0.00 0.00 175.26 175.81 1bve s ALA 22 N -1.27 1.07 -0.35 5.21 0.00 -0.46 -4.01 121.76 121.96 1bve s ALA 22 Ca 0.26 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1bve s ALA 22 Cb -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.65 1bve s ALA 22 CO 0.17 0.19 0.18 -1.17 0.00 0.00 0.00 175.76 175.13 1bve s LEU 23 N 0.09 4.50 -0.87 0.00 2.96 -0.53 -1.38 118.68 123.44 1bve s LEU 23 Ca -0.02 -0.90 -0.23 0.00 -0.22 0.00 0.00 54.13 52.76 1bve s LEU 23 Cb -0.09 -1.99 -0.22 0.00 0.50 0.00 0.00 46.19 44.39 1bve s LEU 23 CO 0.01 -0.33 2.45 0.18 -1.32 0.00 0.00 176.35 177.33 1bve n LEU 24 N 4.97 0.38 -4.04 -0.68 7.99 -1.19 -3.09 117.00 121.34 1bve n LEU 24 Ca -0.12 -0.41 -0.43 0.00 -0.01 0.00 0.00 56.01 55.03 1bve n LEU 24 Cb 0.47 -1.04 0.01 0.00 -0.11 0.00 0.00 43.42 42.74 1bve n LEU 24 CO 0.35 -1.38 1.19 -0.67 -1.51 0.00 0.00 177.39 175.37 1bve n ASP 25 N 11.30 6.16 0.20 -1.43 -0.08 0.19 -4.76 116.55 128.14 1bve n ASP 25 Ca 0.58 -3.33 0.12 0.00 -1.51 0.00 0.00 54.79 50.65 1bve n ASP 25 Cb 0.22 -1.31 0.66 0.00 2.34 0.00 0.00 41.12 43.02 1bve n ASP 25 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1bve h THR 26 N 3.50 0.00 -0.35 5.18 2.02 -1.86 -0.46 112.91 120.93 1bve h THR 26 Ca 0.22 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.26 1bve h THR 26 Cb 0.65 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1bve h THR 26 CO 1.33 0.00 -0.33 1.23 0.37 0.00 0.00 175.52 178.12 1bve h GLY 27 N 0.00 0.92 -1.64 2.16 0.00 -1.90 -3.41 103.07 99.20 1bve h GLY 27 Ca 0.00 -0.93 -0.49 0.00 0.00 0.00 0.00 47.33 45.91 1bve h GLY 27 CO 0.00 0.84 0.38 0.00 0.00 0.00 0.00 176.54 177.76 1bve s ALA 28 N -4.41 2.88 -1.01 3.60 0.00 -0.18 -4.94 121.76 117.71 1bve s ALA 28 Ca -0.12 0.22 0.22 0.00 0.00 0.00 0.00 51.96 52.29 1bve s ALA 28 Cb 0.10 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1bve s ALA 28 CO 0.86 -0.66 1.08 -0.25 0.00 0.00 0.00 175.76 176.79 1bve n ASP 29 N -2.12 0.83 -1.45 0.00 9.92 -1.26 -1.21 116.55 121.26 1bve n ASP 29 Ca 0.08 -0.74 -0.00 0.00 -0.53 0.00 0.00 54.79 53.59 1bve n ASP 29 Cb 0.53 0.73 -0.00 0.00 -0.64 0.00 0.00 41.12 41.75 1bve n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bve n ASP 30 N -1.49 0.84 -4.06 -2.24 9.92 -1.26 -0.63 116.55 117.62 1bve n ASP 30 Ca 0.05 -1.03 -0.35 0.00 -0.53 0.00 0.00 54.79 52.93 1bve n ASP 30 Cb 0.33 0.01 -0.10 0.00 -0.64 0.00 0.00 41.12 40.73 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 -1.60 3.58 1.04 -3.53 2.01 -1.15 0.57 115.64 116.56 1bve s THR 31 Ca 0.00 -3.23 -0.14 0.00 0.31 0.00 0.00 61.69 58.64 1bve s THR 31 Cb 0.00 -3.34 0.21 0.00 0.01 0.00 0.00 72.50 69.38 1bve s THR 31 CO 0.00 -0.90 1.10 0.54 -0.69 0.00 0.00 174.62 174.67 1bve s VAL 32 N -0.37 1.94 -0.29 3.82 0.11 0.50 -1.24 120.40 124.87 1bve s VAL 32 Ca 0.19 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.10 1bve s VAL 32 Cb -0.19 -2.50 0.13 0.00 -1.53 0.00 0.00 36.38 32.30 1bve s VAL 32 CO -0.05 0.00 0.80 -0.76 -3.33 0.00 0.00 175.10 171.76 1bve s LEU 33 N -6.55 -0.86 0.39 2.54 1.02 0.24 -0.77 118.68 114.69 1bve s LEU 33 Ca 0.66 1.24 -0.22 0.00 0.02 0.00 0.00 54.13 55.83 1bve s LEU 33 Cb -0.17 2.06 -0.15 0.00 0.02 0.00 0.00 46.19 47.96 1bve s LEU 33 CO 0.57 -0.18 0.29 1.21 0.02 0.00 0.00 176.35 178.26 1bve n GLU 34 N 4.85 0.21 -1.56 1.70 0.00 -1.09 -2.40 120.64 122.35 1bve n GLU 34 Ca -0.14 0.08 -0.46 0.00 0.00 0.00 0.00 57.16 56.64 1bve n GLU 34 Cb 0.53 -1.19 -0.02 0.00 0.00 0.00 0.00 31.44 30.76 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 1.03 1.12 -0.72 5.31 2.13 0.34 -4.59 120.64 125.25 1bve n GLU 35 Ca 0.12 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.33 1bve n GLU 35 Cb 0.39 -1.74 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1bve n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bve n MET 36 N 0.98 0.00 -3.33 5.31 0.00 -1.26 -5.00 117.12 113.82 1bve n MET 36 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.35 1bve n MET 36 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.50 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 0.32 6.90 0.26 3.17 0.15 -1.26 -5.03 113.70 118.21 1bve s SER 37 Ca 0.00 -2.91 0.09 0.00 0.70 0.00 0.00 55.95 53.82 1bve s SER 37 Cb 0.00 -2.21 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 1bve s SER 37 CO 0.00 -0.50 0.05 -0.76 1.20 0.00 0.00 173.24 173.23 1bve s LEU 38 N -0.19 3.37 0.54 3.45 1.43 -1.26 -4.95 118.68 121.08 1bve s LEU 38 Ca 0.21 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1bve s LEU 38 Cb -0.10 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 1bve s LEU 38 CO -0.09 -0.01 1.02 -2.16 0.23 0.00 0.00 176.35 175.34 1bve s PRO 39 N -3.72 3.69 0.00 1.29 0.04 -1.26 -5.06 135.00 129.98 1bve s PRO 39 Ca 0.32 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1bve s PRO 39 Cb -0.07 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1bve s PRO 39 CO 0.21 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1bve n GLY 40 N -1.24 -3.15 2.25 0.56 0.00 -1.26 -4.68 105.19 97.67 1bve n GLY 40 Ca 0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.39 -2.34 1.61 5.12 -1.26 -5.04 116.66 111.36 1bve n ARG 41 Ca 0.00 0.43 -0.03 0.00 -1.93 0.00 0.00 57.85 56.32 1bve n ARG 41 Cb 0.00 -4.21 -0.01 0.00 -1.16 0.00 0.00 32.46 27.08 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 -2.64 -0.05 -3.89 -1.55 4.27 -1.26 -4.88 117.44 107.44 1bve n TRP 42 Ca -0.14 -0.39 -0.15 0.00 -3.89 0.00 0.00 57.50 52.93 1bve n TRP 42 Cb 0.58 0.02 -0.15 0.00 -1.36 0.00 0.00 31.31 30.40 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 -2.21 0.12 0.24 -2.67 1.02 -1.15 -4.96 119.74 110.13 1bve s LYS 43 Ca 0.04 0.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.79 1bve s LYS 43 Cb 0.00 -0.25 -0.09 0.00 -0.52 0.00 0.00 37.83 36.97 1bve s LYS 43 CO 0.03 -0.07 1.01 -1.25 -0.92 0.00 0.00 175.35 174.15 1bve s PRO 44 N 0.57 4.75 0.03 -1.68 0.04 -1.26 -0.04 135.00 137.40 1bve s PRO 44 Ca -0.05 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 1bve s PRO 44 Cb -0.08 -3.26 0.07 0.00 0.04 0.00 0.00 34.50 31.27 1bve s PRO 44 CO -0.01 0.36 0.62 -1.59 0.04 0.00 0.00 177.00 176.41 1bve s LYS 45 N -1.12 1.10 -0.15 4.56 -2.85 -1.12 -4.90 119.74 115.27 1bve s LYS 45 Ca 0.43 -0.04 -0.03 0.00 -1.00 0.00 0.00 55.97 55.33 1bve s LYS 45 Cb -0.28 0.51 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1bve s LYS 45 CO 0.35 -0.40 -0.07 1.41 0.10 0.00 0.00 175.35 176.75 1bve s MET 46 N -2.12 3.56 -0.02 1.78 1.75 -1.26 -1.14 119.30 121.83 1bve s MET 46 Ca -0.07 -0.58 -0.09 0.00 -1.25 0.00 0.00 55.69 53.70 1bve s MET 46 Cb -0.01 -2.84 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 1bve s MET 46 CO 0.01 0.19 0.28 0.96 -0.65 0.00 0.00 175.02 175.81 1bve s ILE 47 N 0.47 5.27 -0.35 10.11 -4.36 -0.62 -4.90 121.20 126.83 1bve s ILE 47 Ca -0.05 0.39 0.03 0.00 -0.26 0.00 0.00 60.65 60.75 1bve s ILE 47 Cb -0.15 -3.56 0.10 0.00 1.25 0.00 0.00 42.46 40.10 1bve s ILE 47 CO 0.03 0.49 0.07 -0.83 0.24 0.00 0.00 174.94 174.94 1bve s GLY 48 N -1.34 1.93 0.00 6.27 0.00 -1.26 -1.76 107.32 111.15 1bve s GLY 48 Ca 0.23 -2.50 0.00 0.00 0.00 0.00 0.00 44.72 42.46 1bve s GLY 48 CO 0.12 0.94 0.00 0.61 0.00 0.00 0.00 173.10 174.77 1bve n GLY 49 N 4.32 2.28 3.66 0.20 0.00 -1.08 -4.99 105.19 109.59 1bve n GLY 49 Ca 0.02 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 3.28 4.96 0.00 -0.61 1.01 -1.26 -4.20 121.20 124.37 1bve s ILE 50 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1bve s ILE 50 Cb 0.00 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.45 1bve s ILE 50 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 1bve n GLY 51 N 3.69 2.98 0.00 6.18 0.00 -1.26 -4.96 105.19 111.82 1bve n GLY 51 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1bve n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 52 N 0.00 -0.62 3.29 -0.02 0.00 -1.26 -5.12 105.19 101.46 1bve n GLY 52 Ca 0.00 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1bve n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bve s PHE 53 N -3.48 2.88 0.29 1.61 0.40 -1.26 -2.62 117.98 115.79 1bve s PHE 53 Ca 0.00 -0.97 0.06 0.00 -0.60 0.00 0.00 56.93 55.42 1bve s PHE 53 Cb 0.00 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1bve s PHE 53 CO 0.00 -0.49 0.33 0.96 0.70 0.00 0.00 175.22 176.73 1bve s ILE 54 N 1.08 4.38 0.04 0.64 -4.36 -0.72 -4.86 121.20 117.39 1bve s ILE 54 Ca 0.00 -1.18 -0.08 0.00 -0.26 0.00 0.00 60.65 59.14 1bve s ILE 54 Cb -0.15 -3.49 -0.05 0.00 1.25 0.00 0.00 42.46 40.03 1bve s ILE 54 CO -0.02 -0.26 0.33 -0.54 0.24 0.00 0.00 174.94 174.69 1bve s LYS 55 N -4.00 3.67 0.13 0.37 3.01 -1.26 -1.58 119.74 120.07 1bve s LYS 55 Ca 0.38 0.04 0.02 0.00 -1.01 0.00 0.00 55.97 55.40 1bve s LYS 55 Cb -0.08 -3.04 -0.01 0.00 -1.01 0.00 0.00 37.83 33.69 1bve s LYS 55 CO 0.28 0.61 0.14 1.33 0.51 0.00 0.00 175.35 178.22 1bve n VAL 56 N 1.03 0.00 -3.66 3.17 0.24 -0.29 -3.15 118.33 115.67 1bve n VAL 56 Ca -0.10 -0.85 -0.29 0.00 -2.04 0.00 0.00 64.34 61.06 1bve n VAL 56 Cb 0.53 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.45 0.91 -0.68 7.34 0.52 0.25 -2.78 118.95 122.06 1bve s ARG 57 Ca 0.14 -1.53 -0.30 0.00 -0.52 0.00 0.00 55.73 53.53 1bve s ARG 57 Cb 0.00 -1.96 -0.14 0.00 0.52 0.00 0.00 34.95 33.38 1bve s ARG 57 CO 0.10 -1.12 2.50 0.94 0.02 0.00 0.00 175.30 177.74 1bve n GLN 58 N 4.10 0.60 -3.36 3.54 7.27 0.94 -2.98 117.38 127.48 1bve n GLN 58 Ca 0.06 0.04 -0.46 0.00 0.07 0.00 0.00 57.00 56.71 1bve n GLN 58 Cb 0.37 -2.47 -0.02 0.00 2.41 0.00 0.00 30.24 30.54 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 10.08 3.83 0.19 3.69 2.02 -0.94 -2.96 117.35 133.27 1bve s TYR 59 Ca 1.16 -2.17 -0.30 0.00 -0.37 0.00 0.00 57.07 55.39 1bve s TYR 59 Cb -0.75 -3.77 -0.08 0.00 -0.40 0.00 0.00 41.96 36.96 1bve s TYR 59 CO 0.40 -0.97 0.99 -0.51 -1.57 0.00 0.00 175.55 173.88 1bve s ASP 60 N 1.88 7.51 -0.30 2.29 1.11 -1.26 -1.42 116.67 126.48 1bve s ASP 60 Ca 0.20 1.96 -0.01 0.00 0.18 0.00 0.00 52.55 54.87 1bve s ASP 60 Cb -0.11 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.26 1bve s ASP 60 CO -0.09 0.00 0.26 0.00 1.18 0.00 0.00 175.17 176.53 1bve n GLN 61 N 2.00 -0.62 -4.49 8.23 3.00 -0.76 -4.94 117.38 119.79 1bve n GLN 61 Ca 0.00 0.36 -0.31 0.00 -0.01 0.00 0.00 57.00 57.04 1bve n GLN 61 Cb 0.47 -2.80 -0.16 0.00 0.00 0.00 0.00 30.24 27.75 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1bve s ILE 62 N -3.10 1.84 -0.84 5.09 1.01 -0.36 -4.79 121.20 120.05 1bve s ILE 62 Ca 0.11 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 1bve s ILE 62 Cb -0.01 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1bve s ILE 62 CO 0.22 0.51 1.91 -0.22 0.00 0.00 0.00 174.94 177.36 1bve s LEU 63 N 0.97 3.20 -0.29 2.97 1.98 -1.26 -1.65 118.68 124.60 1bve s LEU 63 Ca -0.05 -0.47 -0.14 0.00 -2.89 0.00 0.00 54.13 50.58 1bve s LEU 63 Cb -0.15 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 44.12 1bve s LEU 63 CO -0.04 -2.63 0.34 -0.51 -1.89 0.00 0.00 176.35 171.62 1bve s ILE 64 N 9.72 5.20 -0.63 6.68 2.07 0.01 -4.26 121.20 139.99 1bve s ILE 64 Ca 0.69 0.34 -0.22 0.00 -1.41 0.00 0.00 60.65 60.05 1bve s ILE 64 Cb -0.08 -3.71 0.07 0.00 0.13 0.00 0.00 42.46 38.88 1bve s ILE 64 CO 0.04 0.10 0.89 -0.70 -1.91 0.00 0.00 174.94 173.35 1bve s GLU 65 N 2.00 3.12 -0.25 3.50 2.12 -0.60 -1.62 118.70 126.96 1bve s GLU 65 Ca 0.13 -0.89 -0.13 0.00 0.36 0.00 0.00 54.97 54.44 1bve s GLU 65 Cb -0.16 -4.21 -0.04 0.00 0.26 0.00 0.00 34.13 29.97 1bve s GLU 65 CO 0.11 -1.70 0.30 0.42 -0.54 0.00 0.00 175.26 173.85 1bve s ILE 66 N 3.70 5.24 -1.11 -3.70 1.09 -0.26 -2.27 121.20 123.89 1bve s ILE 66 Ca 0.20 0.44 -0.06 0.00 -1.10 0.00 0.00 60.65 60.13 1bve s ILE 66 Cb -0.18 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.54 1bve s ILE 66 CO 0.10 0.23 0.90 0.00 -0.10 0.00 0.00 174.94 176.07 1bve n GLY 68 N -1.30 0.04 3.06 0.00 0.00 -1.26 -4.90 105.19 100.83 1bve n GLY 68 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.27 2.53 0.36 1.61 3.76 -0.43 -5.10 115.29 115.75 1bve s HIS 69 Ca 0.00 -1.51 -0.28 0.00 -0.15 0.00 0.00 55.06 53.12 1bve s HIS 69 Cb 0.00 -1.76 -0.11 0.00 1.11 0.00 0.00 32.58 31.82 1bve s HIS 69 CO 0.00 -0.75 1.47 0.15 -0.85 0.00 0.00 174.74 174.76 1bve s LYS 70 N 1.37 4.14 -0.29 1.40 3.01 -1.26 -1.10 119.74 127.01 1bve s LYS 70 Ca 0.04 2.52 0.04 0.00 -1.01 0.00 0.00 55.97 57.56 1bve s LYS 70 Cb -0.14 -2.99 0.20 0.00 -1.01 0.00 0.00 37.83 33.89 1bve s LYS 70 CO -0.11 -0.50 0.59 0.00 0.51 0.00 0.00 175.35 175.84 1bve s ALA 71 N -1.03 -2.35 0.39 5.17 0.00 -0.64 -4.86 121.76 118.45 1bve s ALA 71 Ca 0.53 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 53.49 1bve s ALA 71 Cb -0.46 -2.45 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 1bve s ALA 71 CO 0.61 -1.71 0.98 0.42 0.00 0.00 0.00 175.76 176.05 1bve s ILE 72 N 2.83 4.14 0.01 0.00 -1.09 -1.26 -0.81 121.20 125.02 1bve s ILE 72 Ca 0.13 1.54 -0.02 0.00 -2.23 0.00 0.00 60.65 60.06 1bve s ILE 72 Cb -0.11 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.03 1bve s ILE 72 CO -0.25 -0.09 0.10 0.61 -1.23 0.00 0.00 174.94 174.09 1bve n GLY 73 N 0.00 0.89 3.44 6.18 0.00 -0.66 -4.80 105.19 110.26 1bve n GLY 73 Ca 0.05 -0.89 -0.44 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.32 4.95 -0.46 2.61 2.01 -1.26 -1.23 115.64 119.95 1bve s THR 74 Ca 0.02 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 1bve s THR 74 Cb -0.00 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.32 1bve s THR 74 CO 0.00 -0.72 0.41 -0.69 -0.69 0.00 0.00 174.62 172.93 1bve s VAL 75 N 2.42 5.19 -0.40 3.82 1.01 -0.51 -2.95 120.40 128.98 1bve s VAL 75 Ca 0.13 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 1bve s VAL 75 Cb -0.20 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.11 1bve s VAL 75 CO 0.11 -0.54 1.12 -0.76 0.00 0.00 0.00 175.10 175.03 1bve s LEU 76 N 1.81 3.78 -0.45 3.92 1.02 -0.37 -2.22 118.68 126.18 1bve s LEU 76 Ca 0.06 0.77 -0.17 0.00 0.02 0.00 0.00 54.13 54.82 1bve s LEU 76 Cb -0.22 -3.55 0.04 0.00 0.02 0.00 0.00 46.19 42.48 1bve s LEU 76 CO 0.08 -1.07 0.43 -0.69 0.02 0.00 0.00 176.35 175.12 1bve s VAL 77 N 4.09 5.13 0.00 -1.59 1.01 -1.16 0.81 120.40 128.69 1bve s VAL 77 Ca 0.47 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1bve s VAL 77 Cb -0.10 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1bve s VAL 77 CO 0.24 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1bve n GLY 78 N 5.16 4.41 1.52 4.51 0.00 -1.01 -0.58 105.19 119.20 1bve n GLY 78 Ca -0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 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 1.04 -2.84 1.61 -0.04 -1.19 0.13 135.00 133.71 1bve n PRO 79 Ca 0.00 -0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 63.02 1bve n PRO 79 Cb 0.00 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 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 4.39 -1.37 0.52 -1.32 -1.26 -4.90 115.64 111.75 1bve s THR 80 Ca 0.03 1.92 0.00 0.00 -1.21 0.00 0.00 61.69 62.43 1bve s THR 80 Cb 0.01 -4.25 0.00 0.00 -1.51 0.00 0.00 72.50 66.76 1bve s THR 80 CO 0.00 0.42 0.65 -0.81 -2.21 0.00 0.00 174.62 172.67 1bve n PRO 81 N 2.17 0.95 -3.53 7.08 -0.04 -1.26 -3.58 135.00 136.78 1bve n PRO 81 Ca -0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.28 1bve n PRO 81 Cb 0.49 -1.30 -0.06 0.00 -0.04 0.00 0.00 33.50 32.59 1bve n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bve s VAL 82 N -1.37 0.00 -0.68 0.52 1.01 -1.26 -4.98 120.40 113.64 1bve s VAL 82 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 1bve s VAL 82 Cb 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1bve s VAL 82 CO 0.00 0.00 1.05 0.20 0.00 0.00 0.00 175.10 176.35 1bve s ASN 83 N -1.13 6.17 -0.23 3.32 -0.87 -1.26 -2.66 114.94 118.29 1bve s ASN 83 Ca -0.10 -0.84 -0.25 0.00 -1.57 0.00 0.00 52.86 50.11 1bve s ASN 83 Cb -0.00 -2.46 -0.00 0.00 -0.02 0.00 0.00 41.25 38.77 1bve s ASN 83 CO 0.09 -1.55 0.85 -0.63 -2.57 0.00 0.00 177.10 173.28 1bve s ILE 84 N 4.52 4.83 -0.53 0.60 -1.09 0.05 -1.46 121.20 128.13 1bve s ILE 84 Ca 0.26 1.61 -0.13 0.00 -2.23 0.00 0.00 60.65 60.16 1bve s ILE 84 Cb -0.14 -4.13 0.13 0.00 -1.58 0.00 0.00 42.46 36.73 1bve s ILE 84 CO 0.12 -0.07 0.45 -0.63 -1.23 0.00 0.00 174.94 173.58 1bve s ILE 85 N 2.78 4.80 0.51 2.92 1.09 -1.18 -0.37 121.20 131.75 1bve s ILE 85 Ca 0.36 -1.69 0.07 0.00 -1.10 0.00 0.00 60.65 58.29 1bve s ILE 85 Cb -0.15 -4.10 0.03 0.00 -1.06 0.00 0.00 42.46 37.18 1bve s ILE 85 CO 0.08 -0.84 0.49 -0.83 -0.10 0.00 0.00 174.94 173.74 1bve s GLY 86 N 3.10 2.15 0.10 6.18 0.00 0.19 -0.64 107.32 118.42 1bve s GLY 86 Ca 0.05 -1.65 0.05 0.00 0.00 0.00 0.00 44.72 43.17 1bve s GLY 86 CO 0.01 -1.81 0.46 0.54 0.00 0.00 0.00 173.10 172.30 1bve n ARG 87 N -1.82 -0.02 -0.29 2.90 5.12 -0.35 0.07 116.66 122.27 1bve n ARG 87 Ca 0.04 0.41 0.07 0.00 -1.93 0.00 0.00 57.85 56.43 1bve n ARG 87 Cb 0.63 -0.71 0.22 0.00 -1.16 0.00 0.00 32.46 31.43 1bve n ARG 87 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1bve h ASN 88 N 0.00 0.54 0.56 0.55 -1.07 -1.11 -0.52 115.58 114.54 1bve h ASN 88 Ca 0.23 0.09 -0.12 0.00 0.07 0.00 0.00 56.30 56.56 1bve h ASN 88 Cb 0.59 -0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.82 1bve h ASN 88 CO -0.23 0.24 -1.54 0.18 0.07 0.00 0.00 177.43 176.15 1bve n LEU 89 N -4.86 0.61 0.00 6.14 7.99 0.11 -3.63 117.00 123.37 1bve n LEU 89 Ca 0.17 0.26 0.06 0.00 -0.01 0.00 0.00 56.01 56.48 1bve n LEU 89 Cb 0.42 0.08 0.27 0.00 -0.11 0.00 0.00 43.42 44.07 1bve n LEU 89 CO 0.22 0.09 0.66 0.18 -1.51 0.00 0.00 177.39 177.02 1bve n LEU 90 N -2.72 0.00 0.01 2.23 4.32 -0.58 -1.41 117.00 118.86 1bve n LEU 90 Ca -0.09 0.40 0.10 0.00 -0.02 0.00 0.00 56.01 56.40 1bve n LEU 90 Cb 0.76 -0.40 -0.13 0.00 -1.62 0.00 0.00 43.42 42.03 1bve n LEU 90 CO 0.43 -0.24 -0.62 0.35 -1.22 0.00 0.00 177.39 176.09 1bve n THR 91 N -1.40 0.22 0.07 -5.08 -2.24 -0.31 0.33 114.28 105.87 1bve n THR 91 Ca 0.04 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.06 1bve n THR 91 Cb 0.12 -0.11 -0.15 0.00 -2.10 0.00 0.00 70.33 68.09 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 -0.03 -0.78 1.08 -1.36 -3.25 115.11 111.15 1bve h GLN 92 Ca -0.03 -0.66 0.00 0.00 -1.45 0.00 0.00 58.65 56.51 1bve h GLN 92 Cb 1.08 0.24 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1bve h GLN 92 CO 0.00 1.31 0.00 0.44 -0.95 0.00 0.00 178.83 179.64 1bve n ILE 93 N -3.61 0.03 -2.46 2.54 -5.35 -0.75 -4.88 119.36 104.88 1bve n ILE 93 Ca -0.25 -0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 61.99 1bve n ILE 93 Cb 1.07 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.84 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 0.97 -0.19 3.76 3.28 0.00 -1.21 -4.86 105.19 106.95 1bve n GLY 94 Ca 0.18 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.81 3.14 -0.14 4.61 0.00 0.15 -4.99 121.76 121.72 1bve s ALA 95 Ca 0.08 1.41 -0.16 0.00 0.00 0.00 0.00 51.96 53.29 1bve s ALA 95 Cb -0.03 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1bve s ALA 95 CO 0.10 -1.21 0.43 0.95 0.00 0.00 0.00 175.76 176.02 1bve s THR 96 N -1.23 0.01 -0.30 0.00 -4.23 -1.26 -4.82 115.64 103.80 1bve s THR 96 Ca 0.63 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.96 1bve s THR 96 Cb -0.42 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 1bve s THR 96 CO 0.53 -0.03 0.28 -0.22 -0.54 0.00 0.00 174.62 174.65 1bve s LEU 97 N 0.00 4.19 -0.16 4.79 1.98 -1.26 -5.05 118.68 123.17 1bve s LEU 97 Ca -0.02 -0.04 0.01 0.00 -2.89 0.00 0.00 54.13 51.19 1bve s LEU 97 Cb -0.03 -2.25 0.01 0.00 0.66 0.00 0.00 46.19 44.57 1bve s LEU 97 CO 0.01 -0.18 -0.18 0.20 -1.89 0.00 0.00 176.35 174.32 1bve s ASN 98 N 1.72 3.41 0.00 3.68 0.02 -1.26 -5.32 114.94 117.19 1bve s ASN 98 Ca 0.10 -0.55 0.00 0.00 -1.02 0.00 0.00 52.86 51.39 1bve s ASN 98 Cb -0.16 -1.52 0.00 0.00 0.02 0.00 0.00 41.25 39.59 1bve s ASN 98 CO 0.11 0.06 0.00 2.22 0.02 0.00 0.00 177.10 179.51