#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 3.89 -0.31 -0.52 0.74 -1.26 -5.06 119.66 117.14 1bve s GLN 2 Ca 0.00 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.06 1bve s GLN 2 Cb 0.00 -3.27 0.09 0.00 1.10 0.00 0.00 33.01 30.93 1bve s GLN 2 CO 0.00 0.12 0.02 0.08 -0.55 0.00 0.00 175.29 174.96 1bve s VAL 3 N 0.80 2.04 0.00 1.34 1.01 -1.26 -5.04 120.40 119.29 1bve s VAL 3 Ca 0.04 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1bve s VAL 3 Cb -0.13 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1bve s VAL 3 CO 0.02 -0.47 0.29 0.35 0.00 0.00 0.00 175.10 175.29 1bve n THR 4 N 4.38 0.00 0.00 3.92 -2.24 -1.26 -4.95 114.28 114.13 1bve n THR 4 Ca -0.01 0.79 0.00 0.00 -2.27 0.00 0.00 64.05 62.56 1bve n THR 4 Cb 0.42 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.40 0.00 0.32 3.22 7.94 -1.26 -4.95 117.00 121.87 1bve n LEU 5 Ca 0.00 0.00 0.16 0.00 -1.11 0.00 0.00 56.01 55.06 1bve n LEU 5 Cb 0.00 0.00 0.85 0.00 0.53 0.00 0.00 43.42 44.80 1bve n LEU 5 CO 0.00 0.00 1.10 -0.50 -1.11 0.00 0.00 177.39 176.88 1bve h TRP 6 N 0.00 0.00 -3.47 1.96 4.06 -2.04 -3.38 115.95 113.08 1bve h TRP 6 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 1bve h TRP 6 Cb 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 29.16 27.83 1bve h TRP 6 CO 0.00 0.00 -0.81 -0.65 -3.56 0.00 0.00 178.44 173.42 1bve s GLN 7 N -4.02 1.55 0.47 0.49 -0.21 -1.26 -5.11 119.66 111.57 1bve s GLN 7 Ca -0.03 -0.38 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 1bve s GLN 7 Cb 0.09 -1.31 -0.11 0.00 1.00 0.00 0.00 33.01 32.68 1bve s GLN 7 CO 0.28 0.03 0.68 0.54 -2.12 0.00 0.00 175.29 174.70 1bve n ARG 8 N 3.78 0.76 -0.88 2.91 1.74 -1.26 -4.78 116.66 118.93 1bve n ARG 8 Ca -0.23 0.28 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1bve n ARG 8 Cb 0.52 -1.72 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 1bve n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1bve n PRO 9 N 0.23 1.76 -2.78 5.56 -0.04 -1.26 -4.93 135.00 133.54 1bve n PRO 9 Ca 0.11 -0.77 -0.37 0.00 -0.04 0.00 0.00 63.50 62.43 1bve n PRO 9 Cb 0.42 -1.77 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.00 4.34 0.10 1.53 1.43 -1.26 -3.04 118.68 121.78 1bve s LEU 10 Ca 0.51 1.83 -0.11 0.00 -1.03 0.00 0.00 54.13 55.34 1bve s LEU 10 Cb 0.25 -4.02 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1bve s LEU 10 CO 0.00 -0.07 0.26 0.68 0.23 0.00 0.00 176.35 177.45 1bve s VAL 11 N -1.62 0.12 -0.48 -1.59 -7.23 -0.90 -4.90 120.40 103.80 1bve s VAL 11 Ca 0.50 -1.00 -0.21 0.00 -1.81 0.00 0.00 61.98 59.46 1bve s VAL 11 Cb -0.19 -1.30 0.04 0.00 0.56 0.00 0.00 36.38 35.49 1bve s VAL 11 CO 0.24 -0.54 0.71 -0.89 -0.31 0.00 0.00 175.10 174.30 1bve s THR 12 N -3.85 4.74 0.22 5.32 2.01 -1.26 -0.62 115.64 122.20 1bve s THR 12 Ca 0.05 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1bve s THR 12 Cb 0.04 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1bve s THR 12 CO -0.11 -0.77 0.36 0.27 -0.69 0.00 0.00 174.62 173.67 1bve s ILE 13 N 3.02 5.26 -0.35 1.82 -4.36 -0.55 -4.46 121.20 121.57 1bve s ILE 13 Ca 0.22 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.84 1bve s ILE 13 Cb -0.15 -3.81 0.10 0.00 1.25 0.00 0.00 42.46 39.84 1bve s ILE 13 CO 0.17 -0.27 0.08 -0.75 0.24 0.00 0.00 174.94 174.41 1bve s LYS 14 N -3.73 1.68 -0.06 0.37 2.20 -0.53 -2.36 119.74 117.31 1bve s LYS 14 Ca 0.35 -1.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.15 1bve s LYS 14 Cb -0.10 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 1bve s LYS 14 CO 0.29 -0.94 -0.05 0.42 -0.36 0.00 0.00 175.35 174.71 1bve s ILE 15 N 0.98 3.82 0.00 5.43 1.01 -0.98 -1.62 121.20 129.84 1bve s ILE 15 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1bve s ILE 15 Cb -0.20 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1bve s ILE 15 CO -0.07 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1bve n GLY 16 N 2.06 0.48 1.93 6.18 0.00 -1.26 -1.60 105.19 112.97 1bve n GLY 16 Ca -0.17 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 1.33 3.26 -0.02 0.00 -1.26 -5.04 105.19 103.45 1bve n GLY 17 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.32 1.46 -0.08 1.61 -0.21 -0.63 -5.07 119.66 116.42 1bve s GLN 18 Ca 0.10 -1.81 -0.01 0.00 0.02 0.00 0.00 55.36 53.66 1bve s GLN 18 Cb 0.26 0.20 0.03 0.00 1.00 0.00 0.00 33.01 34.49 1bve s GLN 18 CO -0.07 -0.48 -0.03 -0.51 -2.12 0.00 0.00 175.29 172.08 1bve s LEU 19 N -3.27 0.90 0.00 2.90 1.43 -1.26 -2.30 118.68 117.08 1bve s LEU 19 Ca 0.39 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 1bve s LEU 19 Cb 0.05 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 1bve s LEU 19 CO 0.18 -0.14 0.22 0.29 0.23 0.00 0.00 176.35 177.13 1bve n LYS 20 N 4.86 0.48 -1.79 1.70 5.02 -1.00 -4.95 118.16 122.48 1bve n LYS 20 Ca -0.12 -3.47 -0.30 0.00 -2.02 0.00 0.00 58.31 52.40 1bve n LYS 20 Cb 0.50 2.40 0.18 0.00 -0.02 0.00 0.00 35.03 38.09 1bve n LYS 20 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1bve s GLU 21 N -3.48 0.61 -0.29 1.97 2.02 -1.26 -1.49 118.70 116.78 1bve s GLU 21 Ca 0.32 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 55.05 1bve s GLU 21 Cb 0.02 -1.83 0.18 0.00 0.10 0.00 0.00 34.13 32.60 1bve s GLU 21 CO 0.22 -2.46 0.54 0.00 0.02 0.00 0.00 175.26 173.58 1bve s ALA 22 N -3.69 -1.97 -0.87 5.21 0.00 0.21 -4.44 121.76 116.21 1bve s ALA 22 Ca 0.71 1.50 -0.22 0.00 0.00 0.00 0.00 51.96 53.96 1bve s ALA 22 Cb -0.06 -2.09 0.08 0.00 0.00 0.00 0.00 23.12 21.05 1bve s ALA 22 CO 0.53 -1.37 1.21 -1.17 0.00 0.00 0.00 175.76 174.95 1bve s LEU 23 N 2.77 4.21 -0.93 0.00 2.96 0.40 -2.13 118.68 125.96 1bve s LEU 23 Ca 0.18 -1.44 -0.25 0.00 -0.22 0.00 0.00 54.13 52.40 1bve s LEU 23 Cb -0.15 -2.47 -0.23 0.00 0.50 0.00 0.00 46.19 43.84 1bve s LEU 23 CO -0.21 -1.38 2.52 0.18 -1.32 0.00 0.00 176.35 176.15 1bve n LEU 24 N 7.85 0.15 -4.17 -0.68 4.77 -1.17 -3.04 117.00 120.70 1bve n LEU 24 Ca 0.18 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1bve n LEU 24 Cb 0.49 -0.93 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1bve n LEU 24 CO 0.61 -1.07 0.76 -0.67 -1.33 0.00 0.00 177.39 175.68 1bve n ASP 25 N 10.26 5.42 0.33 -1.43 -0.08 -0.09 -4.81 116.55 126.15 1bve n ASP 25 Ca 0.62 -3.17 0.17 0.00 -1.51 0.00 0.00 54.79 50.91 1bve n ASP 25 Cb 0.13 -1.26 0.91 0.00 2.34 0.00 0.00 41.12 43.25 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 3.65 0.01 -0.38 5.18 2.02 -1.87 0.73 112.91 122.25 1bve h THR 26 Ca 0.18 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 1bve h THR 26 Cb 0.79 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1bve h THR 26 CO 1.06 0.00 0.06 1.23 0.37 0.00 0.00 175.52 178.24 1bve h GLY 27 N 0.00 0.69 -1.64 2.16 0.00 -1.92 -3.40 103.07 98.96 1bve h GLY 27 Ca 0.00 -0.46 -0.51 0.00 0.00 0.00 0.00 47.33 46.36 1bve h GLY 27 CO -0.00 0.43 0.37 0.00 0.00 0.00 0.00 176.54 177.33 1bve s ALA 28 N -5.18 2.42 -0.46 3.60 0.00 0.25 -4.94 121.76 117.45 1bve s ALA 28 Ca -0.13 0.52 0.23 0.00 0.00 0.00 0.00 51.96 52.58 1bve s ALA 28 Cb 0.10 -3.32 0.23 0.00 0.00 0.00 0.00 23.12 20.13 1bve s ALA 28 CO 0.77 -1.37 1.26 -0.44 0.00 0.00 0.00 175.76 175.99 1bve h ASP 29 N -0.16 0.00 -0.08 0.00 3.32 -1.84 -2.94 116.42 114.73 1bve h ASP 29 Ca -0.46 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1bve h ASP 29 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1bve h ASP 29 CO 0.53 0.05 0.00 0.47 -1.72 0.00 0.00 179.24 178.57 1bve n ASP 30 N -2.46 0.15 -4.05 6.45 8.00 -1.26 -2.69 116.55 120.68 1bve n ASP 30 Ca 0.02 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.18 1bve n ASP 30 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 1bve n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bve s THR 31 N -0.76 3.30 0.70 -3.53 2.01 -1.15 0.25 115.64 116.46 1bve s THR 31 Ca 0.00 -2.98 -0.11 0.00 0.31 0.00 0.00 61.69 58.91 1bve s THR 31 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.32 1bve s THR 31 CO 0.00 -0.83 1.06 0.54 -0.69 0.00 0.00 174.62 174.70 1bve s VAL 32 N -0.01 3.98 -0.29 3.82 0.11 0.34 -1.35 120.40 127.00 1bve s VAL 32 Ca 0.16 0.64 -0.12 0.00 -2.93 0.00 0.00 61.98 59.73 1bve s VAL 32 Cb -0.22 -3.38 0.11 0.00 -1.53 0.00 0.00 36.38 31.37 1bve s VAL 32 CO -0.03 -0.84 0.67 -0.76 -3.33 0.00 0.00 175.10 170.81 1bve s LEU 33 N -5.57 -1.07 0.68 2.54 1.02 0.13 -0.10 118.68 116.31 1bve s LEU 33 Ca 0.58 1.55 -0.17 0.00 0.02 0.00 0.00 54.13 56.10 1bve s LEU 33 Cb -0.14 2.33 -0.13 0.00 0.02 0.00 0.00 46.19 48.27 1bve s LEU 33 CO 0.55 -0.23 -0.20 1.21 0.02 0.00 0.00 176.35 177.71 1bve n GLU 34 N 5.02 0.06 -1.37 1.70 2.13 -1.15 -2.43 120.64 124.60 1bve n GLU 34 Ca -0.15 0.03 -0.41 0.00 0.66 0.00 0.00 57.16 57.28 1bve n GLU 34 Cb 0.53 -1.15 0.01 0.00 0.27 0.00 0.00 31.44 31.10 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bve n GLU 35 N 1.39 0.25 -0.40 5.31 0.00 0.32 -4.51 120.64 123.00 1bve n GLU 35 Ca 0.06 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1bve n GLU 35 Cb 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.69 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 0.95 0.00 -3.37 5.31 0.00 -1.26 -4.97 117.12 113.78 1bve n MET 36 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 57.70 57.36 1bve n MET 36 Cb 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.61 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 0.91 6.78 -0.36 3.17 0.15 -1.26 -4.97 113.70 118.12 1bve s SER 37 Ca 0.00 -2.99 0.01 0.00 0.70 0.00 0.00 55.95 53.68 1bve s SER 37 Cb 0.00 -2.17 0.11 0.00 -1.71 0.00 0.00 66.02 62.25 1bve s SER 37 CO 0.00 -0.47 0.12 -0.22 1.20 0.00 0.00 173.24 173.88 1bve s LEU 38 N -0.30 3.11 0.97 3.45 2.96 -1.26 -4.22 118.68 123.39 1bve s LEU 38 Ca 0.22 -2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 51.91 1bve s LEU 38 Cb -0.11 -1.14 0.20 0.00 0.50 0.00 0.00 46.19 45.65 1bve s LEU 38 CO -0.08 -0.37 1.33 -2.16 -1.32 0.00 0.00 176.35 173.75 1bve s PRO 39 N 1.06 0.59 0.00 0.98 0.04 -1.26 -4.99 135.00 131.42 1bve s PRO 39 Ca 0.12 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1bve s PRO 39 Cb -0.20 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1bve s PRO 39 CO -0.14 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 174.87 1bve n GLY 40 N -3.78 -0.95 3.73 0.56 0.00 -1.26 -4.98 105.19 98.51 1bve n GLY 40 Ca 0.15 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.39 4.67 0.09 1.61 1.81 -1.26 -5.04 118.95 120.45 1bve s ARG 41 Ca 0.00 1.52 -0.10 0.00 -1.72 0.00 0.00 55.73 55.43 1bve s ARG 41 Cb 0.00 -3.35 0.00 0.00 -0.45 0.00 0.00 34.95 31.15 1bve s ARG 41 CO 0.00 0.18 0.21 1.67 -0.68 0.00 0.00 175.30 176.68 1bve s TRP 42 N -0.05 0.10 -0.04 -0.53 1.48 -1.26 -4.17 118.94 114.47 1bve s TRP 42 Ca 0.48 -0.49 0.04 0.00 -1.06 0.00 0.00 56.10 55.06 1bve s TRP 42 Cb -0.25 -0.02 -0.00 0.00 -1.16 0.00 0.00 33.47 32.04 1bve s TRP 42 CO 0.31 -0.55 -0.14 0.15 -4.06 0.00 0.00 176.95 172.66 1bve s LYS 43 N -3.71 1.48 0.17 3.25 -0.14 -1.16 -4.93 119.74 114.70 1bve s LYS 43 Ca 0.04 -0.50 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 1bve s LYS 43 Cb 0.04 -1.31 -0.07 0.00 -1.68 0.00 0.00 37.83 34.80 1bve s LYS 43 CO -0.10 0.19 1.11 -1.25 -0.76 0.00 0.00 175.35 174.54 1bve s PRO 44 N 0.10 4.58 0.00 -1.68 0.04 -1.26 -0.62 135.00 136.15 1bve s PRO 44 Ca -0.04 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1bve s PRO 44 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1bve s PRO 44 CO 0.02 0.04 0.00 0.36 0.04 0.00 0.00 177.00 177.46 1bve n LYS 45 N 2.49 0.00 -3.68 4.56 2.85 -0.42 -4.92 118.16 119.05 1bve n LYS 45 Ca 0.03 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.19 1bve n LYS 45 Cb 0.46 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.73 1bve n LYS 45 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1bve s MET 46 N -0.70 0.31 0.20 -1.58 -1.94 -1.26 -1.57 119.30 112.76 1bve s MET 46 Ca 0.00 0.82 -0.13 0.00 -1.71 0.00 0.00 55.69 54.67 1bve s MET 46 Cb 0.00 0.06 -0.07 0.00 2.01 0.00 0.00 34.83 36.83 1bve s MET 46 CO 0.00 -0.20 0.58 0.96 -0.01 0.00 0.00 175.02 176.35 1bve s ILE 47 N 1.86 4.85 -0.31 2.53 -4.36 -0.33 -4.85 121.20 120.58 1bve s ILE 47 Ca -0.06 0.75 0.02 0.00 -0.26 0.00 0.00 60.65 61.09 1bve s ILE 47 Cb -0.10 -3.69 0.08 0.00 1.25 0.00 0.00 42.46 39.99 1bve s ILE 47 CO -0.12 0.09 0.00 -0.83 0.24 0.00 0.00 174.94 174.33 1bve s GLY 48 N -1.98 1.81 0.00 6.27 0.00 -1.26 -1.45 107.32 110.71 1bve s GLY 48 Ca 0.43 -2.09 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1bve s GLY 48 CO 0.20 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.69 1bve n GLY 49 N 4.44 3.79 3.66 0.20 0.00 -0.48 -4.96 105.19 111.84 1bve n GLY 49 Ca -0.07 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 3.80 4.80 0.00 -0.61 1.01 -1.26 -3.71 121.20 125.23 1bve s ILE 50 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1bve s ILE 50 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1bve s ILE 50 CO 0.00 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.47 1bve n GLY 51 N 3.53 3.42 0.00 6.18 0.00 -1.26 -4.94 105.19 112.12 1bve n GLY 51 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1bve n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bve n GLY 52 N -1.90 0.13 3.10 -0.02 0.00 -1.24 -5.11 105.19 100.15 1bve n GLY 52 Ca 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.95 1.75 0.51 1.61 0.08 -1.26 -1.38 117.98 116.34 1bve s PHE 53 Ca 0.00 -0.60 0.08 0.00 0.12 0.00 0.00 56.93 56.53 1bve s PHE 53 Cb 0.00 -1.21 0.04 0.00 -0.57 0.00 0.00 43.02 41.28 1bve s PHE 53 CO 0.00 -0.25 0.55 0.96 -0.10 0.00 0.00 175.22 176.38 1bve s ILE 54 N 0.33 2.25 -0.10 0.64 -4.36 -0.52 -4.85 121.20 114.59 1bve s ILE 54 Ca -0.11 -1.22 -0.04 0.00 -0.26 0.00 0.00 60.65 59.03 1bve s ILE 54 Cb -0.14 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 1bve s ILE 54 CO 0.04 0.00 0.07 -0.54 0.24 0.00 0.00 174.94 174.75 1bve s LYS 55 N -4.39 3.18 0.22 0.37 1.02 -1.26 -1.19 119.74 117.70 1bve s LYS 55 Ca 0.50 -0.29 -0.05 0.00 0.02 0.00 0.00 55.97 56.14 1bve s LYS 55 Cb -0.05 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 1bve s LYS 55 CO 0.31 0.73 0.26 0.14 -0.92 0.00 0.00 175.35 175.87 1bve s VAL 56 N -0.97 0.00 -0.50 3.17 -7.23 -0.61 -3.77 120.40 110.49 1bve s VAL 56 Ca 0.15 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1bve s VAL 56 Cb -0.12 -2.39 0.13 0.00 0.56 0.00 0.00 36.38 34.56 1bve s VAL 56 CO 0.04 0.00 0.32 -0.13 -0.31 0.00 0.00 175.10 175.02 1bve s ARG 57 N -4.10 2.32 -0.75 4.82 0.52 0.50 -1.29 118.95 120.98 1bve s ARG 57 Ca 0.33 -2.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.25 1bve s ARG 57 Cb 0.04 -3.73 -0.15 0.00 0.52 0.00 0.00 34.95 31.63 1bve s ARG 57 CO 0.11 -1.14 2.41 0.94 0.02 0.00 0.00 175.30 177.64 1bve n GLN 58 N 4.30 0.58 -3.15 3.54 7.27 0.20 -2.89 117.38 127.24 1bve n GLN 58 Ca 0.00 -0.43 -0.40 0.00 0.07 0.00 0.00 57.00 56.25 1bve n GLN 58 Cb 0.40 -3.10 -0.06 0.00 2.41 0.00 0.00 30.24 29.89 1bve n GLN 58 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1bve s TYR 59 N 11.72 3.44 -0.14 3.69 2.02 -0.66 -2.96 117.35 134.46 1bve s TYR 59 Ca 1.03 0.97 -0.04 0.00 -0.37 0.00 0.00 57.07 58.66 1bve s TYR 59 Cb -0.33 -2.75 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 1bve s TYR 59 CO 0.23 -0.06 0.01 -0.51 -1.57 0.00 0.00 175.55 173.66 1bve s ASP 60 N 1.01 5.26 -0.26 2.29 1.01 -1.26 -1.29 116.67 123.42 1bve s ASP 60 Ca 0.30 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 1bve s ASP 60 Cb -0.16 -1.74 -0.01 0.00 1.01 0.00 0.00 42.92 42.02 1bve s ASP 60 CO 0.12 0.25 0.24 0.00 0.21 0.00 0.00 175.17 175.99 1bve n GLN 61 N 2.99 -0.54 -3.99 8.23 6.02 -1.20 -4.94 117.38 123.95 1bve n GLN 61 Ca -0.18 0.42 -0.34 0.00 -0.01 0.00 0.00 57.00 56.89 1bve n GLN 61 Cb 0.53 -2.70 -0.15 0.00 1.02 0.00 0.00 30.24 28.94 1bve n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bve s ILE 62 N -3.07 2.85 -0.90 5.09 -1.09 -0.20 -4.80 121.20 119.08 1bve s ILE 62 Ca 0.09 -0.71 -0.24 0.00 -2.23 0.00 0.00 60.65 57.55 1bve s ILE 62 Cb -0.01 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1bve s ILE 62 CO 0.21 0.44 1.91 -0.22 -1.23 0.00 0.00 174.94 176.05 1bve s LEU 63 N 1.40 3.19 -0.38 2.97 0.20 -1.26 -0.71 118.68 124.08 1bve s LEU 63 Ca 0.05 -0.71 -0.22 0.00 0.69 0.00 0.00 54.13 53.94 1bve s LEU 63 Cb -0.14 -2.56 0.01 0.00 -0.43 0.00 0.00 46.19 43.07 1bve s LEU 63 CO -0.07 -2.66 0.75 -0.51 -0.29 0.00 0.00 176.35 173.57 1bve s ILE 64 N 9.73 4.76 -0.42 6.68 2.07 0.75 -4.29 121.20 140.47 1bve s ILE 64 Ca 0.68 0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 60.40 1bve s ILE 64 Cb -0.06 -4.20 0.02 0.00 0.13 0.00 0.00 42.46 38.34 1bve s ILE 64 CO -0.01 -0.47 0.79 -0.70 -1.91 0.00 0.00 174.94 172.64 1bve s GLU 65 N 3.04 3.55 0.44 3.50 -6.30 -0.64 -2.17 118.70 120.12 1bve s GLU 65 Ca 0.29 0.06 0.05 0.00 -2.50 0.00 0.00 54.97 52.87 1bve s GLU 65 Cb -0.13 -3.89 0.01 0.00 0.00 0.00 0.00 34.13 30.12 1bve s GLU 65 CO 0.18 -1.01 0.62 0.42 0.02 0.00 0.00 175.26 175.48 1bve s ILE 66 N 3.22 3.30 -0.39 -3.70 -1.09 -1.15 -1.46 121.20 119.94 1bve s ILE 66 Ca 0.31 -0.83 -0.03 0.00 -2.23 0.00 0.00 60.65 57.86 1bve s ILE 66 Cb -0.12 -3.16 -0.13 0.00 -1.58 0.00 0.00 42.46 37.46 1bve s ILE 66 CO 0.20 -0.08 0.88 0.00 -1.23 0.00 0.00 174.94 174.71 1bve n GLY 68 N 2.34 -0.96 3.02 0.00 0.00 -1.26 -4.90 105.19 103.43 1bve n GLY 68 Ca 0.26 0.45 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.48 -1.51 -0.27 1.61 4.02 0.11 -5.05 115.29 110.72 1bve s HIS 69 Ca 0.43 -0.01 -0.39 0.00 1.02 0.00 0.00 55.06 56.11 1bve s HIS 69 Cb -0.13 0.28 -0.15 0.00 -1.02 0.00 0.00 32.58 31.57 1bve s HIS 69 CO 0.83 -1.07 1.83 1.17 1.02 0.00 0.00 174.74 178.52 1bve n LYS 70 N 3.85 1.24 -3.57 1.40 4.81 -1.26 -2.95 118.16 121.68 1bve n LYS 70 Ca 0.12 0.44 -0.25 0.00 -0.87 0.00 0.00 58.31 57.76 1bve n LYS 70 Cb 0.58 -2.20 -0.16 0.00 0.02 0.00 0.00 35.03 33.27 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 4.17 0.28 0.59 3.14 0.00 -0.92 -4.89 121.76 124.13 1bve s ALA 71 Ca 1.00 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 1bve s ALA 71 Cb -1.01 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1bve s ALA 71 CO 0.62 -1.26 1.00 0.42 0.00 0.00 0.00 175.76 176.54 1bve s ILE 72 N 2.18 4.71 0.00 0.00 -1.09 -1.26 -0.18 121.20 125.56 1bve s ILE 72 Ca 0.04 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.31 1bve s ILE 72 Cb -0.16 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1bve s ILE 72 CO -0.14 -1.07 0.00 0.61 -1.23 0.00 0.00 174.94 173.11 1bve n GLY 73 N -2.58 -0.30 3.57 6.18 0.00 0.11 -4.80 105.19 107.38 1bve n GLY 73 Ca 0.06 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.00 4.67 -0.28 2.61 2.01 -1.26 -1.04 115.64 120.35 1bve s THR 74 Ca 0.00 0.77 -0.10 0.00 0.31 0.00 0.00 61.69 62.67 1bve s THR 74 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1bve s THR 74 CO 0.00 -0.57 0.16 -0.69 -0.69 0.00 0.00 174.62 172.83 1bve s VAL 75 N 3.26 4.95 -0.54 3.82 1.01 -0.42 -2.94 120.40 129.55 1bve s VAL 75 Ca 0.32 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.03 1bve s VAL 75 Cb -0.12 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.91 1bve s VAL 75 CO 0.20 0.22 0.88 -0.76 0.00 0.00 0.00 175.10 175.64 1bve s LEU 76 N 1.70 4.27 -0.37 3.92 1.02 -0.45 -1.65 118.68 127.11 1bve s LEU 76 Ca 0.06 -0.45 -0.22 0.00 0.02 0.00 0.00 54.13 53.54 1bve s LEU 76 Cb -0.16 -2.76 0.01 0.00 0.02 0.00 0.00 46.19 43.30 1bve s LEU 76 CO 0.08 -1.16 0.73 -0.69 0.02 0.00 0.00 176.35 175.33 1bve s VAL 77 N 3.70 4.78 0.00 -1.59 1.01 -1.14 -0.70 120.40 126.46 1bve s VAL 77 Ca 0.28 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1bve s VAL 77 Cb -0.14 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1bve s VAL 77 CO 0.18 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.46 1bve n GLY 78 N 4.63 2.75 1.74 4.51 0.00 -1.02 -0.37 105.19 117.43 1bve n GLY 78 Ca 0.01 -1.18 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 1.47 -2.90 1.61 -0.04 -1.25 0.12 135.00 134.01 1bve n PRO 79 Ca 0.00 -0.50 -0.39 0.00 -0.04 0.00 0.00 63.50 62.57 1bve n PRO 79 Cb 0.00 -1.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.36 4.28 -1.20 0.52 -1.32 -1.26 -4.93 115.64 112.09 1bve s THR 80 Ca 0.31 1.78 0.01 0.00 -1.21 0.00 0.00 61.69 62.58 1bve s THR 80 Cb 0.15 -4.14 0.05 0.00 -1.51 0.00 0.00 72.50 67.05 1bve s THR 80 CO -0.00 0.42 0.68 -0.81 -2.21 0.00 0.00 174.62 172.70 1bve n PRO 81 N 1.29 1.21 -3.57 7.08 -0.04 -1.26 -3.72 135.00 136.00 1bve n PRO 81 Ca -0.03 -0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.15 1bve n PRO 81 Cb 0.49 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.30 0.00 -0.86 0.52 1.01 -1.26 -5.02 120.40 113.49 1bve s VAL 82 Ca 0.03 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1bve s VAL 82 Cb 0.02 -1.33 0.22 0.00 0.00 0.00 0.00 36.38 35.29 1bve s VAL 82 CO 0.01 0.00 0.82 0.20 0.00 0.00 0.00 175.10 176.13 1bve s ASN 83 N -2.78 6.79 -0.30 3.32 0.01 -1.26 -2.93 114.94 117.80 1bve s ASN 83 Ca 0.05 -2.71 -0.29 0.00 -0.71 0.00 0.00 52.86 49.20 1bve s ASN 83 Cb -0.02 -2.22 0.01 0.00 0.41 0.00 0.00 41.25 39.42 1bve s ASN 83 CO -0.06 -0.59 1.16 -0.63 -1.51 0.00 0.00 177.10 175.47 1bve s ILE 84 N 0.26 4.38 -0.92 0.60 -1.09 0.86 -0.46 121.20 124.83 1bve s ILE 84 Ca 0.20 1.59 -0.11 0.00 -2.23 0.00 0.00 60.65 60.10 1bve s ILE 84 Cb -0.10 -4.29 0.24 0.00 -1.58 0.00 0.00 42.46 36.73 1bve s ILE 84 CO -0.09 -0.44 0.87 -0.63 -1.23 0.00 0.00 174.94 173.42 1bve s ILE 85 N 3.85 5.53 0.00 2.92 1.09 -1.17 -0.51 121.20 132.91 1bve s ILE 85 Ca 0.50 -2.94 0.00 0.00 -1.10 0.00 0.00 60.65 57.11 1bve s ILE 85 Cb -0.15 -4.39 0.00 0.00 -1.06 0.00 0.00 42.46 36.87 1bve s ILE 85 CO 0.17 -1.08 0.00 0.61 -0.10 0.00 0.00 174.94 174.55 1bve n GLY 86 N 3.38 -1.13 0.37 6.18 0.00 0.14 -0.91 105.19 113.22 1bve n GLY 86 Ca 0.17 -1.62 0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 1.15 -0.63 1.61 3.08 -1.65 -1.29 114.38 116.65 1bve h ARG 87 Ca 0.00 -0.07 0.18 0.00 0.07 0.00 0.00 59.98 60.16 1bve h ARG 87 Cb 0.00 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 1bve h ARG 87 CO 0.00 0.76 0.86 -2.95 -1.07 0.00 0.00 179.97 177.57 1bve h ASN 88 N 1.18 0.00 0.00 7.04 -1.07 -1.76 -0.89 115.58 120.08 1bve h ASN 88 Ca 0.43 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.65 1bve h ASN 88 Cb 0.16 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.38 1bve h ASN 88 CO -0.17 0.00 -1.57 0.18 0.07 0.00 0.00 177.43 175.94 1bve n LEU 89 N -3.28 0.74 -0.19 6.14 7.99 -0.59 -4.29 117.00 123.53 1bve n LEU 89 Ca 0.13 -0.01 0.05 0.00 -0.01 0.00 0.00 56.01 56.17 1bve n LEU 89 Cb 1.07 0.06 0.33 0.00 -0.11 0.00 0.00 43.42 44.77 1bve n LEU 89 CO 0.21 0.32 1.22 -0.07 -1.51 0.00 0.00 177.39 177.56 1bve h LEU 90 N 0.00 0.71 -0.63 2.23 3.38 -0.14 0.12 115.31 120.97 1bve h LEU 90 Ca -0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1bve h LEU 90 Cb 1.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1bve h LEU 90 CO 0.00 0.48 -0.04 0.71 0.09 0.00 0.00 178.44 179.67 1bve h THR 91 N 0.82 0.08 -0.21 0.22 1.35 -1.58 -0.01 112.91 113.58 1bve h THR 91 Ca 0.30 -0.89 -0.20 0.00 -0.55 0.00 0.00 66.41 65.08 1bve h THR 91 Cb 0.16 1.82 0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1bve h THR 91 CO -0.09 0.04 -0.65 1.56 -0.25 0.00 0.00 175.52 176.12 1bve h GLN 92 N 0.00 0.82 -0.00 4.72 1.08 -0.97 -2.50 115.11 118.25 1bve h GLN 92 Ca -0.00 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 1bve h GLN 92 Cb 0.82 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1bve h GLN 92 CO 0.01 1.22 -0.01 0.44 -0.95 0.00 0.00 178.83 179.53 1bve n ILE 93 N -3.99 0.00 -2.58 2.54 -5.35 -0.90 -4.91 119.36 104.17 1bve n ILE 93 Ca -0.06 -0.04 -0.08 0.00 -0.27 0.00 0.00 62.75 62.30 1bve n ILE 93 Cb 0.68 -0.34 0.04 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.45 3.86 3.28 0.00 -0.94 -5.00 105.19 107.01 1bve n GLY 94 Ca 0.22 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 3.52 -0.04 4.61 0.00 -0.05 -5.01 121.76 121.58 1bve s ALA 95 Ca 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 52.01 1bve s ALA 95 Cb -0.03 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.60 1bve s ALA 95 CO 0.46 0.47 0.01 0.95 0.00 0.00 0.00 175.76 177.66 1bve s THR 96 N -1.80 0.16 -0.59 0.00 -4.23 -1.26 -4.85 115.64 103.07 1bve s THR 96 Ca 0.47 0.17 -0.24 0.00 -1.18 0.00 0.00 61.69 60.91 1bve s THR 96 Cb -0.12 -0.31 0.05 0.00 1.34 0.00 0.00 72.50 73.47 1bve s THR 96 CO 0.20 0.18 0.98 -0.76 -0.54 0.00 0.00 174.62 174.68 1bve s LEU 97 N 1.49 4.07 -0.24 4.79 1.02 -1.26 -5.01 118.68 123.54 1bve s LEU 97 Ca -0.03 -0.48 -0.08 0.00 0.02 0.00 0.00 54.13 53.56 1bve s LEU 97 Cb -0.13 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.31 1bve s LEU 97 CO -0.03 -1.33 0.09 0.20 0.02 0.00 0.00 176.35 175.30 1bve s ASN 98 N 3.10 5.42 0.00 2.29 0.02 -1.26 -5.32 114.94 119.19 1bve s ASN 98 Ca 0.29 -0.10 0.00 0.00 -1.02 0.00 0.00 52.86 52.03 1bve s ASN 98 Cb -0.13 -1.97 0.00 0.00 0.02 0.00 0.00 41.25 39.17 1bve s ASN 98 CO 0.17 0.01 0.00 2.22 0.02 0.00 0.00 177.10 179.52