#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 4.42 -0.23 -0.52 0.74 -1.26 -5.03 119.66 117.78 1bve s GLN 2 Ca 0.00 0.93 0.01 0.00 0.05 0.00 0.00 55.36 56.35 1bve s GLN 2 Cb 0.00 -3.47 0.05 0.00 1.10 0.00 0.00 33.01 30.70 1bve s GLN 2 CO 0.00 0.00 -0.08 0.08 -0.55 0.00 0.00 175.29 174.74 1bve s VAL 3 N 1.00 1.70 0.00 1.34 1.01 -1.26 -4.97 120.40 119.21 1bve s VAL 3 Ca 0.38 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1bve s VAL 3 Cb -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1bve s VAL 3 CO 0.18 -0.01 0.00 0.35 0.00 0.00 0.00 175.10 175.62 1bve n THR 4 N 4.63 0.00 -2.38 3.92 -2.24 -1.26 -4.96 114.28 111.99 1bve n THR 4 Ca -0.13 0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1bve n THR 4 Cb 0.44 -0.88 -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 -2.10 -0.21 -2.16 3.22 7.99 -1.26 -2.83 117.00 119.65 1bve n LEU 5 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 1bve n LEU 5 Cb 0.00 -1.17 0.00 0.00 -0.11 0.00 0.00 43.42 42.14 1bve n LEU 5 CO 0.00 -0.03 0.00 0.79 -1.51 0.00 0.00 177.39 176.64 1bve n TRP 6 N -2.54 0.00 -2.81 -1.77 7.02 -1.26 -4.63 117.44 111.45 1bve n TRP 6 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1bve n TRP 6 Cb 0.49 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 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 -0.85 0.00 -1.86 -0.99 6.02 -1.13 -5.10 117.38 113.48 1bve n GLN 7 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1bve n GLN 7 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -0.58 3.89 -1.25 -1.09 0.52 -1.26 -4.86 118.95 114.32 1bve s ARG 8 Ca 0.00 2.17 -0.18 0.00 -0.52 0.00 0.00 55.73 57.20 1bve s ARG 8 Cb 0.00 -4.12 -0.00 0.00 0.52 0.00 0.00 34.95 31.35 1bve s ARG 8 CO 0.00 -1.21 1.95 -0.35 0.02 0.00 0.00 175.30 175.71 1bve n PRO 9 N 7.67 2.56 -1.84 3.54 -0.04 -1.26 -4.96 135.00 140.67 1bve n PRO 9 Ca 0.21 -2.72 -0.31 0.00 -0.04 0.00 0.00 63.50 60.64 1bve n PRO 9 Cb 0.43 -3.39 0.01 0.00 -0.04 0.00 0.00 33.50 30.52 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 4.34 3.22 -0.12 1.53 1.02 -1.26 -2.73 118.68 124.68 1bve s LEU 10 Ca 0.55 1.44 -0.11 0.00 0.02 0.00 0.00 54.13 56.03 1bve s LEU 10 Cb 0.08 -4.47 0.03 0.00 0.02 0.00 0.00 46.19 41.85 1bve s LEU 10 CO 0.05 -0.93 0.31 0.68 0.02 0.00 0.00 176.35 176.48 1bve s VAL 11 N -3.17 -0.00 -0.67 -1.59 -7.23 -0.63 -4.88 120.40 102.23 1bve s VAL 11 Ca 0.55 0.01 -0.26 0.00 -1.81 0.00 0.00 61.98 60.47 1bve s VAL 11 Cb -0.11 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.36 1bve s VAL 11 CO 0.54 0.00 1.85 -0.89 -0.31 0.00 0.00 175.10 176.29 1bve s THR 12 N 0.27 3.39 0.21 5.32 2.01 -1.26 -1.57 115.64 124.00 1bve s THR 12 Ca -0.01 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.02 1bve s THR 12 Cb -0.03 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.41 1bve s THR 12 CO -0.01 -0.96 0.50 0.27 -0.69 0.00 0.00 174.62 173.73 1bve s ILE 13 N 9.07 5.00 -0.53 1.82 -4.36 -0.93 -4.19 121.20 127.07 1bve s ILE 13 Ca 0.66 0.35 -0.04 0.00 -0.26 0.00 0.00 60.65 61.36 1bve s ILE 13 Cb -0.11 -3.62 0.14 0.00 1.25 0.00 0.00 42.46 40.12 1bve s ILE 13 CO 0.17 -0.05 0.35 -0.75 0.24 0.00 0.00 174.94 174.90 1bve s LYS 14 N -2.79 2.35 -0.14 0.37 2.47 -0.67 -2.77 119.74 118.56 1bve s LYS 14 Ca 0.46 -2.19 -0.00 0.00 -1.56 0.00 0.00 55.97 52.67 1bve s LYS 14 Cb -0.11 -3.70 -0.01 0.00 -1.46 0.00 0.00 37.83 32.54 1bve s LYS 14 CO 0.22 -1.14 -0.13 0.42 0.16 0.00 0.00 175.35 174.89 1bve s ILE 15 N 0.53 3.00 -1.32 5.43 1.01 -0.88 -2.20 121.20 126.76 1bve s ILE 15 Ca 0.13 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 1bve s ILE 15 Cb -0.21 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 39.98 1bve s ILE 15 CO -0.04 0.51 0.05 0.61 0.00 0.00 0.00 174.94 176.07 1bve n GLY 16 N 3.74 -0.27 2.47 6.18 0.00 -1.26 -1.37 105.19 114.69 1bve n GLY 16 Ca -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.05 0.27 3.90 -0.02 0.00 -1.26 -4.80 105.19 102.24 1bve n GLY 17 Ca -0.17 0.00 -0.24 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 -0.92 2.33 -0.07 1.61 -1.52 -0.47 -5.10 119.66 115.52 1bve s GLN 18 Ca 0.00 -1.84 -0.03 0.00 -1.95 0.00 0.00 55.36 51.54 1bve s GLN 18 Cb 0.00 -2.23 0.04 0.00 -0.22 0.00 0.00 33.01 30.60 1bve s GLN 18 CO 0.00 -0.51 0.14 -0.51 -0.25 0.00 0.00 175.29 174.16 1bve s LEU 19 N -4.27 0.09 0.06 2.90 1.43 -1.26 -2.08 118.68 115.55 1bve s LEU 19 Ca 0.42 0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1bve s LEU 19 Cb -0.03 0.22 -0.04 0.00 0.03 0.00 0.00 46.19 46.37 1bve s LEU 19 CO 0.25 -0.23 -0.02 -0.54 0.23 0.00 0.00 176.35 176.04 1bve s LYS 20 N 2.09 0.65 -0.12 1.70 -0.14 -1.11 -4.96 119.74 117.84 1bve s LYS 20 Ca 0.01 -1.24 -0.29 0.00 -1.36 0.00 0.00 55.97 53.09 1bve s LYS 20 Cb -0.12 0.21 -0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1bve s LYS 20 CO -0.05 -0.13 1.07 -1.21 -0.76 0.00 0.00 175.35 174.26 1bve s GLU 21 N -3.93 4.37 -0.16 1.68 8.01 -1.26 -2.19 118.70 125.22 1bve s GLU 21 Ca 0.09 1.45 -0.04 0.00 0.01 0.00 0.00 54.97 56.48 1bve s GLU 21 Cb 0.08 -3.58 -0.03 0.00 -4.31 0.00 0.00 34.13 26.29 1bve s GLU 21 CO -0.09 -0.43 -0.02 0.00 0.01 0.00 0.00 175.26 174.73 1bve s ALA 22 N 2.38 3.08 -0.88 5.21 0.00 -0.61 -4.19 121.76 126.75 1bve s ALA 22 Ca 0.49 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.40 1bve s ALA 22 Cb -0.19 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.37 1bve s ALA 22 CO 0.16 0.23 1.36 -1.17 0.00 0.00 0.00 175.76 176.34 1bve s LEU 23 N 0.29 3.37 -0.88 0.00 2.96 -0.27 -1.61 118.68 122.54 1bve s LEU 23 Ca -0.02 -0.97 -0.22 0.00 -0.22 0.00 0.00 54.13 52.70 1bve s LEU 23 Cb -0.14 -2.56 -0.22 0.00 0.50 0.00 0.00 46.19 43.77 1bve s LEU 23 CO 0.02 -1.66 2.42 0.18 -1.32 0.00 0.00 176.35 176.00 1bve n LEU 24 N 9.08 0.31 -4.33 -0.68 4.77 -1.11 -2.85 117.00 122.19 1bve n LEU 24 Ca 0.18 -0.46 -0.47 0.00 -0.03 0.00 0.00 56.01 55.23 1bve n LEU 24 Cb 0.50 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1bve n LEU 24 CO 0.68 -1.43 0.46 -0.62 -1.33 0.00 0.00 177.39 175.16 1bve s ASP 25 N 6.92 6.82 0.41 -1.43 -1.08 -0.68 -4.78 116.67 122.85 1bve s ASP 25 Ca 1.21 -2.78 0.29 0.00 -0.52 0.00 0.00 52.55 50.75 1bve s ASP 25 Cb -0.75 -2.21 1.38 0.00 -1.46 0.00 0.00 42.92 39.87 1bve s ASP 25 CO 0.41 -0.55 1.86 0.74 0.52 0.00 0.00 175.17 178.16 1bve h THR 26 N 4.67 0.00 -0.14 1.71 2.02 -1.87 -1.73 112.91 117.57 1bve h THR 26 Ca 0.12 -0.17 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1bve h THR 26 Cb 1.03 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1bve h THR 26 CO 0.78 0.00 -0.54 1.23 0.37 0.00 0.00 175.52 177.36 1bve h GLY 27 N 1.10 0.45 -1.41 2.16 0.00 -1.91 -3.44 103.07 100.02 1bve h GLY 27 Ca 0.00 -0.52 -0.50 0.00 0.00 0.00 0.00 47.33 46.31 1bve h GLY 27 CO 0.00 0.46 0.35 0.00 0.00 0.00 0.00 176.54 177.35 1bve s ALA 28 N -3.95 3.12 -0.76 3.60 0.00 -0.65 -4.98 121.76 118.14 1bve s ALA 28 Ca -0.06 -0.26 0.21 0.00 0.00 0.00 0.00 51.96 51.86 1bve s ALA 28 Cb 0.12 -2.95 -0.22 0.00 0.00 0.00 0.00 23.12 20.07 1bve s ALA 28 CO 0.82 -0.74 0.83 -0.25 0.00 0.00 0.00 175.76 176.41 1bve n ASP 29 N -2.72 0.74 -4.02 0.00 8.00 -1.26 -2.54 116.55 114.75 1bve n ASP 29 Ca 0.05 -0.71 -0.16 0.00 0.71 0.00 0.00 54.79 54.68 1bve n ASP 29 Cb 0.55 1.19 -0.09 0.00 -0.02 0.00 0.00 41.12 42.75 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 -3.40 1.09 -0.47 -2.24 1.01 -1.26 -1.38 116.67 110.01 1bve s ASP 30 Ca 0.04 -1.51 -0.19 0.00 0.71 0.00 0.00 52.55 51.60 1bve s ASP 30 Cb 0.15 0.37 0.04 0.00 1.01 0.00 0.00 42.92 44.50 1bve s ASP 30 CO 0.87 -0.87 0.60 -0.89 0.21 0.00 0.00 175.17 175.09 1bve s THR 31 N -3.77 4.90 -0.31 -1.27 2.01 -1.15 -1.33 115.64 114.72 1bve s THR 31 Ca 0.38 -0.32 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1bve s THR 31 Cb 0.06 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1bve s THR 31 CO 0.17 -0.69 0.21 0.54 -0.69 0.00 0.00 174.62 174.16 1bve s VAL 32 N 2.59 5.25 -0.25 3.82 0.11 -0.36 -0.16 120.40 131.41 1bve s VAL 32 Ca 0.16 -0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.08 1bve s VAL 32 Cb -0.18 -3.62 -0.02 0.00 -1.53 0.00 0.00 36.38 31.04 1bve s VAL 32 CO 0.14 0.10 0.05 -0.76 -3.33 0.00 0.00 175.10 171.30 1bve s LEU 33 N 1.73 3.39 1.02 2.54 1.02 0.62 0.51 118.68 129.51 1bve s LEU 33 Ca 0.06 -0.31 -0.24 0.00 0.02 0.00 0.00 54.13 53.66 1bve s LEU 33 Cb -0.17 -1.88 -0.13 0.00 0.02 0.00 0.00 46.19 44.03 1bve s LEU 33 CO 0.10 -0.05 -1.11 -1.84 0.02 0.00 0.00 176.35 173.47 1bve n GLU 34 N 4.89 -0.32 -1.39 1.70 0.28 -1.18 -2.88 120.64 121.75 1bve n GLU 34 Ca -0.16 -0.09 -0.42 0.00 -0.16 0.00 0.00 57.16 56.33 1bve n GLU 34 Cb 0.51 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.22 1bve n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1bve n GLU 35 N 1.48 0.30 0.00 3.44 2.13 0.50 -4.31 120.64 124.19 1bve n GLU 35 Ca -0.01 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.92 1bve n GLU 35 Cb 0.70 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 31.13 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 0.91 0.00 -2.61 5.31 0.00 -1.26 -4.95 117.12 114.52 1bve n MET 36 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.40 1bve n MET 36 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.58 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 0.00 6.31 -0.30 3.17 0.15 -1.26 -4.96 113.70 116.80 1bve s SER 37 Ca 0.00 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1bve s SER 37 Cb 0.00 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1bve s SER 37 CO 0.00 -1.60 -0.00 -0.22 1.20 0.00 0.00 173.24 172.61 1bve s LEU 38 N 5.14 3.89 0.40 3.45 2.96 -1.26 -4.82 118.68 128.43 1bve s LEU 38 Ca 0.38 -1.77 -0.23 0.00 -0.22 0.00 0.00 54.13 52.28 1bve s LEU 38 Cb -0.09 -1.48 -0.10 0.00 0.50 0.00 0.00 46.19 45.03 1bve s LEU 38 CO 0.20 -0.31 1.00 -2.16 -1.32 0.00 0.00 176.35 173.76 1bve s PRO 39 N 1.08 4.24 0.00 0.98 0.04 -1.26 -4.97 135.00 135.12 1bve s PRO 39 Ca 0.03 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1bve s PRO 39 Cb -0.19 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1bve s PRO 39 CO -0.08 -0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1bve n GLY 40 N 0.12 2.48 3.70 0.56 0.00 -1.26 -4.92 105.19 105.87 1bve n GLY 40 Ca 0.05 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.73 4.44 0.34 1.61 0.52 -1.26 -5.02 118.95 117.85 1bve s ARG 41 Ca 0.00 1.56 0.03 0.00 -0.52 0.00 0.00 55.73 56.80 1bve s ARG 41 Cb 0.00 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.94 1bve s ARG 41 CO 0.00 -0.26 0.09 1.67 0.02 0.00 0.00 175.30 176.82 1bve s TRP 42 N 1.57 1.81 0.02 -0.53 1.48 -1.26 -4.15 118.94 117.88 1bve s TRP 42 Ca 0.54 -1.13 0.01 0.00 -1.06 0.00 0.00 56.10 54.46 1bve s TRP 42 Cb -0.23 -1.15 -0.02 0.00 -1.16 0.00 0.00 33.47 30.91 1bve s TRP 42 CO 0.24 -0.18 -0.05 0.15 -4.06 0.00 0.00 176.95 173.05 1bve s LYS 43 N -3.85 0.38 0.07 3.25 -0.14 -1.06 -4.95 119.74 113.43 1bve s LYS 43 Ca 0.32 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 1bve s LYS 43 Cb 0.06 -0.15 -0.05 0.00 -1.68 0.00 0.00 37.83 36.01 1bve s LYS 43 CO 0.15 0.02 1.10 -1.25 -0.76 0.00 0.00 175.35 174.61 1bve s PRO 44 N -1.12 4.52 -0.28 -1.68 0.04 -1.26 -0.61 135.00 134.60 1bve s PRO 44 Ca -0.09 1.64 -0.22 0.00 0.04 0.00 0.00 61.00 62.37 1bve s PRO 44 Cb -0.08 -3.37 0.09 0.00 0.04 0.00 0.00 34.50 31.19 1bve s PRO 44 CO -0.00 -0.10 0.78 0.21 0.04 0.00 0.00 177.00 177.93 1bve s LYS 45 N 0.69 0.72 0.04 4.56 2.20 -0.93 -4.88 119.74 122.14 1bve s LYS 45 Ca 0.54 0.96 0.05 0.00 -0.36 0.00 0.00 55.97 57.17 1bve s LYS 45 Cb -0.27 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.31 1bve s LYS 45 CO 0.30 -0.10 -0.10 0.00 -0.36 0.00 0.00 175.35 175.09 1bve s MET 46 N 0.73 2.32 -0.11 4.03 0.00 -1.26 -0.93 119.30 124.07 1bve s MET 46 Ca -0.03 -0.88 -0.06 0.00 0.00 0.00 0.00 55.69 54.73 1bve s MET 46 Cb -0.05 -2.37 -0.04 0.00 0.00 0.00 0.00 34.83 32.37 1bve s MET 46 CO -0.07 0.56 0.12 0.96 0.00 0.00 0.00 175.02 176.59 1bve s ILE 47 N -1.06 5.33 -0.31 3.16 -4.36 -0.14 -4.88 121.20 118.94 1bve s ILE 47 Ca 0.18 0.13 0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1bve s ILE 47 Cb -0.11 -3.32 0.08 0.00 1.25 0.00 0.00 42.46 40.36 1bve s ILE 47 CO 0.09 0.61 0.01 -0.83 0.24 0.00 0.00 174.94 175.05 1bve s GLY 48 N -1.05 1.83 0.00 6.27 0.00 -1.26 -1.13 107.32 111.98 1bve s GLY 48 Ca 0.15 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.69 1bve s GLY 48 CO 0.04 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.56 1bve n GLY 49 N 4.39 2.59 3.64 0.20 0.00 -1.06 -4.98 105.19 109.97 1bve n GLY 49 Ca -0.05 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 2.95 4.86 0.00 -0.61 1.01 -1.26 -4.24 121.20 123.90 1bve s ILE 50 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1bve s ILE 50 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.39 1bve s ILE 50 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.48 1bve n GLY 51 N 3.86 2.92 0.00 6.18 0.00 -1.26 -4.96 105.19 111.93 1bve n GLY 51 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.05 3.25 -0.02 0.00 -1.26 -5.14 105.19 103.07 1bve n GLY 52 Ca 0.00 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.83 2.73 0.26 1.61 0.40 -1.26 -2.55 117.98 117.34 1bve s PHE 53 Ca 0.00 -1.04 0.07 0.00 -0.60 0.00 0.00 56.93 55.36 1bve s PHE 53 Cb 0.00 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1bve s PHE 53 CO 0.00 -0.45 0.23 0.96 0.70 0.00 0.00 175.22 176.66 1bve s ILE 54 N 0.67 4.45 0.01 0.64 -5.25 -0.28 -4.90 121.20 116.54 1bve s ILE 54 Ca -0.09 -1.35 -0.01 0.00 -0.99 0.00 0.00 60.65 58.22 1bve s ILE 54 Cb -0.16 -3.44 -0.04 0.00 2.95 0.00 0.00 42.46 41.77 1bve s ILE 54 CO 0.02 -0.33 0.12 -0.54 -1.79 0.00 0.00 174.94 172.42 1bve s LYS 55 N -3.88 3.17 0.29 0.37 1.02 -1.26 -0.97 119.74 118.48 1bve s LYS 55 Ca 0.34 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.84 1bve s LYS 55 Cb -0.08 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1bve s LYS 55 CO 0.26 0.64 0.42 1.33 -0.92 0.00 0.00 175.35 177.08 1bve n VAL 56 N 0.95 0.00 -3.95 3.17 0.24 -0.11 -3.34 118.33 115.28 1bve n VAL 56 Ca -0.11 -1.42 -0.31 0.00 -2.04 0.00 0.00 64.34 60.46 1bve n VAL 56 Cb 0.52 0.89 -0.15 0.00 -1.47 0.00 0.00 33.84 33.64 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 -2.62 1.38 -0.49 7.34 1.81 0.14 -2.20 118.95 124.32 1bve s ARG 57 Ca 0.23 -1.57 -0.28 0.00 -1.72 0.00 0.00 55.73 52.39 1bve s ARG 57 Cb -0.01 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.64 1bve s ARG 57 CO 0.17 -0.89 1.57 -1.14 -0.68 0.00 0.00 175.30 174.33 1bve s GLN 58 N 1.12 3.24 -0.08 3.54 0.74 0.22 -2.31 119.66 126.14 1bve s GLN 58 Ca 0.08 0.78 -0.20 0.00 0.05 0.00 0.00 55.36 56.06 1bve s GLN 58 Cb -0.19 -4.17 -0.04 0.00 1.10 0.00 0.00 33.01 29.72 1bve s GLN 58 CO -0.11 -1.99 0.58 0.71 -0.55 0.00 0.00 175.29 173.93 1bve s TYR 59 N 6.64 3.56 -0.27 1.67 1.51 -0.09 -2.58 117.35 127.79 1bve s TYR 59 Ca 0.62 1.07 -0.10 0.00 -1.01 0.00 0.00 57.07 57.65 1bve s TYR 59 Cb -0.14 -2.65 -0.05 0.00 -0.11 0.00 0.00 41.96 39.01 1bve s TYR 59 CO 0.28 0.17 0.17 -0.51 -1.11 0.00 0.00 175.55 174.54 1bve s ASP 60 N 0.57 5.92 0.00 2.29 1.01 -1.26 -2.29 116.67 122.91 1bve s ASP 60 Ca 0.31 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.56 1bve s ASP 60 Cb -0.16 -2.09 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1bve s ASP 60 CO 0.14 -0.02 0.00 0.00 0.21 0.00 0.00 175.17 175.50 1bve n GLN 61 N 4.87 0.00 -3.74 8.23 1.13 -1.20 -4.98 117.38 121.70 1bve n GLN 61 Ca -0.14 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.55 1bve n GLN 61 Cb 0.52 -1.33 -0.12 0.00 0.11 0.00 0.00 30.24 29.41 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 -2.67 4.41 -0.64 5.09 -1.09 -0.42 -4.76 121.20 121.12 1bve s ILE 62 Ca 0.00 -0.14 -0.26 0.00 -2.23 0.00 0.00 60.65 58.02 1bve s ILE 62 Cb 0.00 -3.07 -0.03 0.00 -1.58 0.00 0.00 42.46 37.78 1bve s ILE 62 CO 0.00 0.33 1.93 -0.22 -1.23 0.00 0.00 174.94 175.75 1bve s LEU 63 N 1.63 3.28 -0.27 2.97 1.98 -1.26 -1.42 118.68 125.58 1bve s LEU 63 Ca 0.06 0.28 -0.10 0.00 -2.89 0.00 0.00 54.13 51.48 1bve s LEU 63 Cb -0.15 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 1bve s LEU 63 CO 0.04 -2.50 0.14 -0.51 -1.89 0.00 0.00 176.35 171.64 1bve s ILE 64 N 9.60 4.85 -0.31 6.68 2.07 -0.11 -4.32 121.20 139.66 1bve s ILE 64 Ca 0.71 -0.04 -0.21 0.00 -1.41 0.00 0.00 60.65 59.70 1bve s ILE 64 Cb -0.12 -3.32 -0.00 0.00 0.13 0.00 0.00 42.46 39.14 1bve s ILE 64 CO 0.18 0.25 0.67 -0.70 -1.91 0.00 0.00 174.94 173.43 1bve s GLU 65 N 1.69 3.87 -0.16 3.50 2.12 -0.94 -1.97 118.70 126.82 1bve s GLU 65 Ca 0.06 0.32 -0.04 0.00 0.36 0.00 0.00 54.97 55.68 1bve s GLU 65 Cb -0.16 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 1bve s GLU 65 CO 0.08 -0.63 -0.04 0.42 -0.54 0.00 0.00 175.26 174.55 1bve s ILE 66 N 2.71 3.86 -1.33 -3.70 1.09 -0.58 -1.68 121.20 121.56 1bve s ILE 66 Ca 0.27 -0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.38 1bve s ILE 66 Cb -0.15 -2.70 0.01 0.00 -1.06 0.00 0.00 42.46 38.57 1bve s ILE 66 CO 0.13 0.49 0.13 0.00 -0.10 0.00 0.00 174.94 175.58 1bve n GLY 68 N -2.34 -0.24 2.84 0.00 0.00 -1.26 -4.94 105.19 99.25 1bve n GLY 68 Ca -0.26 0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.30 -0.29 0.19 1.61 4.02 0.12 -5.11 115.29 112.52 1bve s HIS 69 Ca 0.06 0.52 -0.32 0.00 1.02 0.00 0.00 55.06 56.33 1bve s HIS 69 Cb -0.02 -0.25 -0.11 0.00 -1.02 0.00 0.00 32.58 31.17 1bve s HIS 69 CO 0.61 -0.45 1.71 0.21 1.02 0.00 0.00 174.74 177.84 1bve s LYS 70 N 2.34 4.14 -0.29 1.40 2.20 -1.26 -1.53 119.74 126.74 1bve s LYS 70 Ca 0.04 2.56 0.03 0.00 -0.36 0.00 0.00 55.97 58.25 1bve s LYS 70 Cb -0.14 -3.17 0.17 0.00 -1.51 0.00 0.00 37.83 33.19 1bve s LYS 70 CO -0.10 -0.74 0.46 0.00 -0.36 0.00 0.00 175.35 174.61 1bve s ALA 71 N 1.41 -1.53 0.63 3.13 0.00 -0.83 -4.87 121.76 119.70 1bve s ALA 71 Ca 0.75 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.01 1bve s ALA 71 Cb -0.48 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1bve s ALA 71 CO 0.32 -1.79 1.04 0.42 0.00 0.00 0.00 175.76 175.75 1bve s ILE 72 N 2.59 4.54 0.00 0.00 1.01 -1.26 -0.94 121.20 127.14 1bve s ILE 72 Ca 0.10 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.57 1bve s ILE 72 Cb -0.12 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1bve s ILE 72 CO -0.28 -1.08 0.00 0.61 0.00 0.00 0.00 174.94 174.19 1bve n GLY 73 N -2.71 -0.66 3.55 6.18 0.00 -0.51 -4.83 105.19 106.22 1bve n GLY 73 Ca 0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 4.73 0.27 2.61 2.01 -1.26 -1.30 115.64 120.70 1bve s THR 74 Ca 0.00 0.52 0.06 0.00 0.31 0.00 0.00 61.69 62.57 1bve s THR 74 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1bve s THR 74 CO 0.00 -0.57 0.36 -0.69 -0.69 0.00 0.00 174.62 173.03 1bve s VAL 75 N 3.09 4.82 -0.26 3.82 1.01 -0.97 -2.91 120.40 129.00 1bve s VAL 75 Ca 0.28 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1bve s VAL 75 Cb -0.13 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.66 1bve s VAL 75 CO 0.20 -0.29 0.04 -0.76 0.00 0.00 0.00 175.10 174.29 1bve s LEU 76 N -4.00 2.17 -0.30 3.92 1.02 0.78 -0.92 118.68 121.35 1bve s LEU 76 Ca 0.36 -1.34 -0.21 0.00 0.02 0.00 0.00 54.13 52.96 1bve s LEU 76 Cb -0.09 -0.91 -0.01 0.00 0.02 0.00 0.00 46.19 45.21 1bve s LEU 76 CO 0.29 -0.34 0.66 -0.69 0.02 0.00 0.00 176.35 176.28 1bve s VAL 77 N 1.59 4.92 0.00 -1.59 1.01 -0.98 -0.28 120.40 125.08 1bve s VAL 77 Ca 0.03 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1bve s VAL 77 Cb -0.18 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.19 1bve s VAL 77 CO -0.15 -0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.43 1bve n GLY 78 N 4.35 2.67 1.57 4.51 0.00 -1.14 0.25 105.19 117.39 1bve n GLY 78 Ca -0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 1.23 -3.05 1.61 -0.04 -1.21 0.19 135.00 133.72 1bve n PRO 79 Ca 0.00 -0.45 -0.39 0.00 -0.04 0.00 0.00 63.50 62.62 1bve n PRO 79 Cb 0.00 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.64 4.61 -0.70 0.52 -1.32 -1.26 -4.93 115.64 111.92 1bve s THR 80 Ca 0.09 1.55 0.00 0.00 -1.21 0.00 0.00 61.69 62.12 1bve s THR 80 Cb 0.07 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 1bve s THR 80 CO 0.00 0.46 0.58 -0.81 -2.21 0.00 0.00 174.62 172.65 1bve n PRO 81 N 2.15 0.90 -3.62 7.08 -0.04 -1.26 -4.05 135.00 136.16 1bve n PRO 81 Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 1bve n PRO 81 Cb 0.50 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 1bve n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bve s VAL 82 N -0.66 0.00 0.51 0.52 0.11 -1.26 -5.02 120.40 114.59 1bve s VAL 82 Ca 0.00 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 1bve s VAL 82 Cb 0.00 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.77 1bve s VAL 82 CO 0.00 0.00 0.97 0.20 -3.33 0.00 0.00 175.10 172.94 1bve s ASN 83 N 0.19 6.60 -0.22 3.54 0.01 -1.26 -3.10 114.94 120.70 1bve s ASN 83 Ca 0.00 1.52 -0.15 0.00 -0.71 0.00 0.00 52.86 53.52 1bve s ASN 83 Cb -0.05 -2.49 0.06 0.00 0.41 0.00 0.00 41.25 39.19 1bve s ASN 83 CO -0.01 -0.58 0.55 -0.63 -1.51 0.00 0.00 177.10 174.92 1bve s ILE 84 N -2.63 -0.01 -0.49 0.60 1.01 0.18 -1.11 121.20 118.76 1bve s ILE 84 Ca 0.58 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 61.10 1bve s ILE 84 Cb -0.10 -0.79 0.08 0.00 0.01 0.00 0.00 42.46 41.66 1bve s ILE 84 CO 0.32 0.01 0.44 -0.63 0.00 0.00 0.00 174.94 175.09 1bve s ILE 85 N 1.02 5.18 0.00 2.92 -1.09 -1.13 -1.22 121.20 126.89 1bve s ILE 85 Ca -0.06 -1.07 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 1bve s ILE 85 Cb -0.06 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 1bve s ILE 85 CO -0.09 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.57 1bve n GLY 86 N 5.21 0.03 0.29 6.18 0.00 -0.44 -1.68 105.19 114.77 1bve n GLY 86 Ca -0.12 -1.76 -0.01 0.00 0.00 0.00 0.00 46.02 44.13 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 0.65 -0.08 1.61 3.08 -1.13 -1.67 114.38 116.85 1bve h ARG 87 Ca 0.00 -0.13 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1bve h ARG 87 Cb 0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1bve h ARG 87 CO 0.00 0.62 0.45 -2.95 -1.07 0.00 0.00 179.97 177.03 1bve h ASN 88 N 0.63 0.00 0.00 7.04 -1.07 -1.53 -1.78 115.58 118.86 1bve h ASN 88 Ca 0.14 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.38 1bve h ASN 88 Cb 0.30 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.53 1bve h ASN 88 CO 0.00 0.00 -1.48 0.18 0.07 0.00 0.00 177.43 176.20 1bve n LEU 89 N -2.95 0.00 0.05 6.14 7.99 -0.79 -4.34 117.00 123.10 1bve n LEU 89 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.07 1bve n LEU 89 Cb 0.52 0.17 0.31 0.00 -0.11 0.00 0.00 43.42 44.30 1bve n LEU 89 CO 0.14 0.17 0.71 0.18 -1.51 0.00 0.00 177.39 177.08 1bve n LEU 90 N -2.25 0.21 -0.00 2.23 4.77 -0.70 -1.25 117.00 120.02 1bve n LEU 90 Ca -0.11 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 1bve n LEU 90 Cb 0.71 -0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 1bve n LEU 90 CO 0.15 -0.47 -0.05 0.35 -1.33 0.00 0.00 177.39 176.04 1bve n THR 91 N -1.75 0.00 -0.01 -5.08 -2.24 -0.89 -1.29 114.28 103.01 1bve n THR 91 Ca 0.02 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.54 1bve n THR 91 Cb 0.12 0.99 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 1bve n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bve n GLN 92 N -1.47 0.74 -0.04 -0.78 1.13 -0.38 -3.98 117.38 112.60 1bve n GLN 92 Ca 0.04 0.30 0.12 0.00 -1.94 0.00 0.00 57.00 55.52 1bve n GLN 92 Cb 0.31 -1.71 0.45 0.00 0.11 0.00 0.00 30.24 29.39 1bve n GLN 92 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1bve n ILE 93 N -3.60 0.11 -2.89 5.09 -5.35 -1.07 -4.94 119.36 106.72 1bve n ILE 93 Ca -0.32 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 61.75 1bve n ILE 93 Cb 1.01 0.42 0.06 0.00 -1.74 0.00 0.00 39.64 39.38 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 1.15 -0.32 3.75 3.28 0.00 -1.24 -4.98 105.19 106.83 1bve n GLY 94 Ca 0.17 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.26 3.36 -0.04 4.61 0.00 -0.42 -5.03 121.76 120.98 1bve s ALA 95 Ca 0.15 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1bve s ALA 95 Cb -0.02 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1bve s ALA 95 CO 0.52 0.14 -0.22 0.95 0.00 0.00 0.00 175.76 177.15 1bve s THR 96 N -0.56 1.77 -0.66 0.00 -4.23 -1.26 -4.87 115.64 105.82 1bve s THR 96 Ca 0.40 -0.92 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 1bve s THR 96 Cb -0.23 -1.49 0.14 0.00 1.34 0.00 0.00 72.50 72.27 1bve s THR 96 CO 0.27 0.50 0.69 -0.76 -0.54 0.00 0.00 174.62 174.78 1bve s LEU 97 N -0.23 5.97 -0.23 4.79 1.02 -1.26 -5.03 118.68 123.71 1bve s LEU 97 Ca 0.01 -1.92 -0.10 0.00 0.02 0.00 0.00 54.13 52.14 1bve s LEU 97 Cb -0.11 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 1bve s LEU 97 CO 0.02 -0.89 0.14 0.20 0.02 0.00 0.00 176.35 175.84 1bve s ASN 98 N 3.25 5.96 0.00 2.29 0.02 -1.26 -5.31 114.94 119.89 1bve s ASN 98 Ca 0.12 0.08 0.00 0.00 -1.02 0.00 0.00 52.86 52.04 1bve s ASN 98 Cb -0.21 -2.07 0.00 0.00 0.02 0.00 0.00 41.25 38.99 1bve s ASN 98 CO 0.00 0.07 0.02 2.22 0.02 0.00 0.00 177.10 179.43