#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpv s GLN 2 N 0.00 3.43 -0.19 -0.52 0.74 -1.26 -5.10 119.66 116.76 2bpv s GLN 2 Ca 0.00 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.76 2bpv s GLN 2 Cb 0.00 -2.89 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 2bpv s GLN 2 CO 0.00 -0.01 -0.07 0.42 -0.55 0.00 0.00 175.29 175.08 2bpv s ILE 3 N 0.98 3.27 0.52 -2.34 1.01 -1.26 -5.12 121.20 118.26 2bpv s ILE 3 Ca -0.00 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.04 2bpv s ILE 3 Cb -0.15 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2bpv s ILE 3 CO 0.00 0.46 0.84 0.42 0.00 0.00 0.00 174.94 176.66 2bpv s THR 4 N 1.10 4.71 -0.27 2.92 -4.23 -1.26 -5.02 115.64 113.60 2bpv s THR 4 Ca 0.01 0.29 0.12 0.00 -1.18 0.00 0.00 61.69 60.93 2bpv s THR 4 Cb -0.15 -3.81 0.70 0.00 1.34 0.00 0.00 72.50 70.58 2bpv s THR 4 CO -0.01 -0.85 1.68 0.18 -0.54 0.00 0.00 174.62 175.08 2bpv n LEU 5 N -2.39 5.35 -0.08 4.79 7.99 -1.26 -4.42 117.00 126.99 2bpv n LEU 5 Ca 0.02 -3.15 -0.03 0.00 -0.01 0.00 0.00 56.01 52.84 2bpv n LEU 5 Cb 0.55 -0.68 0.19 0.00 -0.11 0.00 0.00 43.42 43.37 2bpv n LEU 5 CO 0.54 0.77 0.88 -0.50 -1.51 0.00 0.00 177.39 177.57 2bpv h TRP 6 N 2.68 0.77 -1.67 -1.77 4.06 -2.06 -3.44 115.95 114.52 2bpv h TRP 6 Ca 0.13 -0.10 -0.63 0.00 2.06 0.00 0.00 58.89 60.35 2bpv h TRP 6 Cb 1.99 -0.21 -0.13 0.00 -1.00 0.00 0.00 29.16 29.81 2bpv h TRP 6 CO 1.04 0.73 -0.60 -0.65 -3.56 0.00 0.00 178.44 175.39 2bpv s GLN 7 N -4.96 1.96 0.24 0.49 1.11 -1.26 -5.11 119.66 112.13 2bpv s GLN 7 Ca -0.09 -2.11 -0.30 0.00 0.01 0.00 0.00 55.36 52.87 2bpv s GLN 7 Cb 0.15 -1.63 -0.10 0.00 -1.01 0.00 0.00 33.01 30.41 2bpv s GLN 7 CO 0.80 -0.05 1.45 1.03 0.01 0.00 0.00 175.29 178.53 2bpv s ARG 8 N -3.71 4.26 -1.20 2.91 0.52 -1.26 -4.90 118.95 115.57 2bpv s ARG 8 Ca 0.35 2.31 -0.18 0.00 -0.52 0.00 0.00 55.73 57.68 2bpv s ARG 8 Cb 0.10 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 2bpv s ARG 8 CO 0.18 -0.44 1.99 -0.35 0.02 0.00 0.00 175.30 176.70 2bpv n PRO 9 N 2.50 2.39 -3.43 3.54 -0.04 -1.26 -4.94 135.00 133.76 2bpv n PRO 9 Ca 0.07 -2.54 -0.38 0.00 -0.04 0.00 0.00 63.50 60.62 2bpv n PRO 9 Cb 0.40 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.50 2bpv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpv s LEU 10 N 3.69 4.43 0.14 1.53 1.43 -1.26 -1.29 118.68 127.36 2bpv s LEU 10 Ca 0.55 0.96 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 2bpv s LEU 10 Cb 0.10 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2bpv s LEU 10 CO 0.04 0.24 0.00 0.68 0.23 0.00 0.00 176.35 177.54 2bpv s VAL 11 N -0.68 0.51 -0.07 -1.59 -7.23 0.44 -4.94 120.40 106.86 2bpv s VAL 11 Ca 0.25 -1.94 -0.18 0.00 -1.81 0.00 0.00 61.98 58.29 2bpv s VAL 11 Cb -0.17 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2bpv s VAL 11 CO 0.13 -0.58 0.50 -0.89 -0.31 0.00 0.00 175.10 173.95 2bpv s THR 12 N -3.76 5.09 0.17 5.32 2.01 -1.26 -0.53 115.64 122.67 2bpv s THR 12 Ca 0.21 1.02 0.09 0.00 0.31 0.00 0.00 61.69 63.32 2bpv s THR 12 Cb 0.06 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2bpv s THR 12 CO 0.01 0.39 -0.20 0.27 -0.69 0.00 0.00 174.62 174.40 2bpv s ILE 13 N 0.14 1.93 -0.12 1.82 -4.36 0.49 -3.19 121.20 117.90 2bpv s ILE 13 Ca 0.27 -1.92 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 2bpv s ILE 13 Cb -0.16 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.67 2bpv s ILE 13 CO 0.13 -0.26 -0.19 -0.75 0.24 0.00 0.00 174.94 174.11 2bpv s LYS 14 N -2.72 2.61 -0.09 0.37 2.20 -0.66 -0.30 119.74 121.14 2bpv s LYS 14 Ca 0.16 -0.70 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 2bpv s LYS 14 Cb -0.06 -2.15 0.05 0.00 -1.51 0.00 0.00 37.83 34.15 2bpv s LYS 14 CO 0.07 -0.04 0.19 -1.50 -0.36 0.00 0.00 175.35 173.71 2bpv s ILE 15 N 0.91 -0.26 -1.28 5.43 2.07 0.26 -1.91 121.20 126.41 2bpv s ILE 15 Ca -0.07 0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 59.46 2bpv s ILE 15 Cb -0.15 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.11 2bpv s ILE 15 CO -0.02 0.13 0.33 0.61 -1.91 0.00 0.00 174.94 174.08 2bpv n GLY 16 N 5.14 -0.28 3.54 1.50 0.00 -1.26 -1.71 105.19 112.13 2bpv n GLY 16 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2bpv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpv n GLY 17 N -1.26 3.01 3.76 -0.02 0.00 -1.26 -4.99 105.19 104.44 2bpv n GLY 17 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2bpv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpv s GLN 18 N -0.09 4.51 -0.13 1.61 -0.21 -0.69 -5.05 119.66 119.61 2bpv s GLN 18 Ca 0.00 1.09 -0.15 0.00 0.02 0.00 0.00 55.36 56.32 2bpv s GLN 18 Cb 0.00 -3.32 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 2bpv s GLN 18 CO 0.00 0.42 0.36 -0.51 -2.12 0.00 0.00 175.29 173.43 2bpv s LEU 19 N -0.55 4.28 0.14 2.90 1.43 -1.26 -0.58 118.68 125.04 2bpv s LEU 19 Ca 0.37 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2bpv s LEU 19 Cb -0.22 -2.49 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 2bpv s LEU 19 CO 0.24 0.09 0.01 -0.54 0.23 0.00 0.00 176.35 176.38 2bpv s LYS 20 N 0.36 0.99 -0.16 1.70 1.02 0.59 -4.97 119.74 119.27 2bpv s LYS 20 Ca 0.20 -1.46 -0.05 0.00 0.02 0.00 0.00 55.97 54.67 2bpv s LYS 20 Cb -0.14 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.05 2bpv s LYS 20 CO 0.07 -0.15 0.02 -2.00 -0.92 0.00 0.00 175.35 172.37 2bpv s GLU 21 N -3.94 3.74 0.08 1.68 2.12 -1.26 -0.38 118.70 120.73 2bpv s GLU 21 Ca 0.21 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 55.15 2bpv s GLU 21 Cb 0.07 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2bpv s GLU 21 CO 0.01 0.34 -0.05 0.00 -0.54 0.00 0.00 175.26 175.02 2bpv s ALA 22 N 0.16 0.76 -0.18 6.30 0.00 0.31 -4.50 121.76 124.60 2bpv s ALA 22 Ca 0.02 -1.26 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 2bpv s ALA 22 Cb -0.13 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2bpv s ALA 22 CO 0.01 -0.28 0.23 -1.17 0.00 0.00 0.00 175.76 174.56 2bpv s LEU 23 N -2.91 4.22 -0.58 0.00 2.96 -0.39 -0.42 118.68 121.56 2bpv s LEU 23 Ca 0.09 0.39 -0.26 0.00 -0.22 0.00 0.00 54.13 54.13 2bpv s LEU 23 Cb 0.06 -2.27 0.04 0.00 0.50 0.00 0.00 46.19 44.52 2bpv s LEU 23 CO -0.07 0.12 1.06 -0.76 -1.32 0.00 0.00 176.35 175.38 2bpv s LEU 24 N 0.50 3.81 -0.32 -0.68 1.43 -0.41 -0.80 118.68 122.20 2bpv s LEU 24 Ca 0.13 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 2bpv s LEU 24 Cb -0.12 -2.91 0.07 0.00 0.03 0.00 0.00 46.19 43.25 2bpv s LEU 24 CO 0.02 -1.38 0.02 -0.62 0.23 0.00 0.00 176.35 174.62 2bpv s ASP 25 N 2.99 4.83 0.52 2.29 -1.08 -0.73 -4.80 116.67 120.70 2bpv s ASP 25 Ca 0.35 -1.58 0.32 0.00 -0.52 0.00 0.00 52.55 51.12 2bpv s ASP 25 Cb -0.11 -1.68 1.24 0.00 -1.46 0.00 0.00 42.92 40.92 2bpv s ASP 25 CO 0.21 -0.31 1.93 0.71 0.52 0.00 0.00 175.17 178.23 2bpv h THR 26 N 6.54 0.00 0.00 1.71 1.35 -1.94 -2.67 112.91 117.90 2bpv h THR 26 Ca -0.16 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 2bpv h THR 26 Cb 1.05 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2bpv h THR 26 CO 0.54 0.00 -0.21 1.23 -0.25 0.00 0.00 175.52 176.83 2bpv h GLY 27 N 2.27 0.00 -5.83 5.82 0.00 -1.95 -3.45 103.07 99.93 2bpv h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2bpv h GLY 27 CO 0.00 0.00 0.20 0.00 0.00 0.00 0.00 176.54 176.74 2bpv s ALA 28 N -3.16 3.54 0.18 3.60 0.00 -1.01 -4.95 121.76 119.96 2bpv s ALA 28 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2bpv s ALA 28 Cb 0.11 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.25 2bpv s ALA 28 CO 0.65 -0.59 1.47 -0.44 0.00 0.00 0.00 175.76 176.85 2bpv h ASP 29 N 7.45 0.63 -1.25 0.00 3.32 -1.87 0.15 116.42 124.85 2bpv h ASP 29 Ca -0.31 -0.36 -0.59 0.00 0.02 0.00 0.00 57.03 55.80 2bpv h ASP 29 Cb 1.14 -0.18 -0.09 0.00 0.22 0.00 0.00 39.33 40.42 2bpv h ASP 29 CO 0.79 1.09 -0.47 -1.81 -1.72 0.00 0.00 179.24 177.12 2bpv s ASP 30 N -6.95 4.39 -0.22 6.45 1.01 -1.26 -3.05 116.67 117.04 2bpv s ASP 30 Ca -0.07 -1.20 -0.06 0.00 0.71 0.00 0.00 52.55 51.93 2bpv s ASP 30 Cb 0.11 -0.19 -0.02 0.00 1.01 0.00 0.00 42.92 43.83 2bpv s ASP 30 CO 0.85 -0.68 0.03 -0.89 0.21 0.00 0.00 175.17 174.69 2bpv s THR 31 N -2.67 4.07 -0.09 -1.27 2.01 -1.26 -2.74 115.64 113.68 2bpv s THR 31 Ca 0.35 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.11 2bpv s THR 31 Cb 0.03 -2.87 0.01 0.00 0.01 0.00 0.00 72.50 69.68 2bpv s THR 31 CO 0.19 0.39 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.65 2bpv s VAL 32 N 1.27 1.57 0.18 3.82 1.01 -0.60 -0.79 120.40 126.85 2bpv s VAL 32 Ca 0.04 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.40 2bpv s VAL 32 Cb -0.15 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2bpv s VAL 32 CO 0.02 0.45 -0.24 -0.76 0.00 0.00 0.00 175.10 174.57 2bpv s LEU 33 N 0.58 2.41 0.59 3.92 1.43 0.86 -0.08 118.68 128.39 2bpv s LEU 33 Ca -0.15 -0.84 -0.19 0.00 -1.03 0.00 0.00 54.13 51.92 2bpv s LEU 33 Cb -0.17 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 2bpv s LEU 33 CO 0.05 0.12 1.24 -1.61 0.23 0.00 0.00 176.35 176.37 2bpv s GLU 34 N -2.53 2.95 -0.28 1.70 2.02 -1.26 -1.20 118.70 120.10 2bpv s GLU 34 Ca 0.18 1.91 -0.32 0.00 0.02 0.00 0.00 54.97 56.76 2bpv s GLU 34 Cb -0.08 -1.97 -0.14 0.00 0.10 0.00 0.00 34.13 32.04 2bpv s GLU 34 CO 0.09 -1.24 1.05 0.39 0.02 0.00 0.00 175.26 175.57 2bpv n GLU 35 N -1.53 0.00 -3.60 1.61 -0.58 -0.93 -4.59 120.64 111.02 2bpv n GLU 35 Ca 0.13 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 2bpv n GLU 35 Cb 0.49 -1.07 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 2bpv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bpv s MET 36 N 1.66 1.28 -0.27 3.49 0.23 -1.26 -5.01 119.30 119.42 2bpv s MET 36 Ca 0.73 -0.58 -0.15 0.00 -1.03 0.00 0.00 55.69 54.65 2bpv s MET 36 Cb -1.03 0.52 -0.04 0.00 -1.53 0.00 0.00 34.83 32.75 2bpv s MET 36 CO 0.54 -0.57 0.40 0.45 -2.03 0.00 0.00 175.02 173.81 2bpv s SER 37 N -2.76 6.28 0.06 -1.18 0.15 -1.26 -5.02 113.70 109.97 2bpv s SER 37 Ca 0.06 0.33 0.09 0.00 0.70 0.00 0.00 55.95 57.13 2bpv s SER 37 Cb -0.02 -2.22 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 2bpv s SER 37 CO -0.05 -0.20 -0.26 -0.76 1.20 0.00 0.00 173.24 173.17 2bpv s LEU 38 N 2.10 2.23 0.45 3.45 1.43 -1.26 -5.07 118.68 122.02 2bpv s LEU 38 Ca 0.16 -0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 2bpv s LEU 38 Cb -0.16 -1.30 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 2bpv s LEU 38 CO 0.10 0.25 0.98 -2.16 0.23 0.00 0.00 176.35 175.74 2bpv s PRO 39 N -1.38 4.10 0.00 1.29 0.04 -1.26 -4.95 135.00 132.84 2bpv s PRO 39 Ca 0.12 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2bpv s PRO 39 Cb -0.10 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2bpv s PRO 39 CO 0.03 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.33 2bpv n GLY 40 N -0.61 -1.90 3.87 0.56 0.00 -1.26 -5.01 105.19 100.84 2bpv n GLY 40 Ca 0.08 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2bpv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpv s ARG 41 N -0.83 3.85 0.19 1.61 3.00 -1.26 -5.09 118.95 120.41 2bpv s ARG 41 Ca 0.00 0.39 0.03 0.00 0.00 0.00 0.00 55.73 56.14 2bpv s ARG 41 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 34.95 32.33 2bpv s ARG 41 CO 0.00 0.25 -0.02 1.67 0.00 0.00 0.00 175.30 177.20 2bpv s TRP 42 N -1.90 1.34 0.00 -0.53 1.48 -1.26 -4.61 118.94 113.47 2bpv s TRP 42 Ca 0.49 -0.93 0.06 0.00 -1.06 0.00 0.00 56.10 54.66 2bpv s TRP 42 Cb -0.11 -0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 31.43 2bpv s TRP 42 CO 0.21 -0.09 -0.18 0.15 -4.06 0.00 0.00 176.95 172.97 2bpv s LYS 43 N -3.86 1.40 0.28 3.25 3.01 -0.58 -4.88 119.74 118.36 2bpv s LYS 43 Ca 0.24 -0.73 -0.29 0.00 -1.01 0.00 0.00 55.97 54.18 2bpv s LYS 43 Cb 0.05 -1.39 -0.10 0.00 -1.01 0.00 0.00 37.83 35.38 2bpv s LYS 43 CO 0.05 0.37 1.16 -2.14 0.51 0.00 0.00 175.35 175.30 2bpv s PRO 44 N -0.67 4.56 0.05 -1.68 0.02 -1.26 0.40 135.00 136.43 2bpv s PRO 44 Ca 0.07 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.95 2bpv s PRO 44 Cb -0.07 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 2bpv s PRO 44 CO 0.00 0.09 0.07 0.21 -0.33 0.00 0.00 177.00 177.04 2bpv s LYS 45 N -1.37 0.64 -0.16 5.54 2.20 -0.57 -4.88 119.74 121.12 2bpv s LYS 45 Ca 0.46 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 55.14 2bpv s LYS 45 Cb -0.34 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.25 2bpv s LYS 45 CO 0.43 -0.16 -0.16 1.41 -0.36 0.00 0.00 175.35 176.52 2bpv s MET 46 N -3.23 2.50 0.04 4.03 -2.45 -1.26 -1.05 119.30 117.87 2bpv s MET 46 Ca 0.00 -0.68 0.09 0.00 -1.25 0.00 0.00 55.69 53.86 2bpv s MET 46 Cb 0.03 -2.29 -0.03 0.00 1.25 0.00 0.00 34.83 33.79 2bpv s MET 46 CO -0.07 -0.25 -0.25 0.96 1.05 0.00 0.00 175.02 176.45 2bpv s ILE 47 N 1.41 2.21 0.15 10.11 -4.36 -0.51 -4.95 121.20 125.27 2bpv s ILE 47 Ca 0.04 -1.34 0.05 0.00 -0.26 0.00 0.00 60.65 59.14 2bpv s ILE 47 Cb -0.13 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 2bpv s ILE 47 CO -0.11 0.38 -0.11 -0.83 0.24 0.00 0.00 174.94 174.51 2bpv s GLY 48 N -1.21 1.12 0.00 6.27 0.00 -1.26 -0.64 107.32 111.60 2bpv s GLY 48 Ca 0.12 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2bpv s GLY 48 CO 0.02 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.13 2bpv n GLY 49 N -0.18 3.30 3.68 0.20 0.00 -0.58 -4.96 105.19 106.64 2bpv n GLY 49 Ca -0.10 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2bpv n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bpv s ILE 50 N -0.31 3.43 0.00 -0.61 -1.09 -1.26 -2.14 121.20 119.22 2bpv s ILE 50 Ca 0.00 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 2bpv s ILE 50 Cb 0.00 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.41 2bpv s ILE 50 CO 0.00 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 2bpv n GLY 51 N 3.96 0.06 0.00 6.18 0.00 -1.26 -4.97 105.19 109.16 2bpv n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bpv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpv n GLY 52 N -2.00 -0.18 3.86 -0.02 0.00 -0.91 -5.06 105.19 100.88 2bpv n GLY 52 Ca 0.00 -2.22 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 2bpv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpv s PHE 53 N 0.00 3.38 0.09 1.61 0.40 -1.26 -1.53 117.98 120.67 2bpv s PHE 53 Ca 0.00 0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.56 2bpv s PHE 53 Cb 0.00 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.80 2bpv s PHE 53 CO 0.00 0.56 -0.15 0.96 0.70 0.00 0.00 175.22 177.29 2bpv s ILE 54 N -1.45 1.25 -0.13 0.64 -4.36 0.19 -4.97 121.20 112.38 2bpv s ILE 54 Ca 0.32 -1.49 -0.16 0.00 -0.26 0.00 0.00 60.65 59.06 2bpv s ILE 54 Cb -0.13 -1.30 -0.05 0.00 1.25 0.00 0.00 42.46 42.24 2bpv s ILE 54 CO 0.25 -0.29 0.38 -0.75 0.24 0.00 0.00 174.94 174.78 2bpv s LYS 55 N -2.13 4.25 0.25 0.37 2.20 -1.26 -1.43 119.74 121.99 2bpv s LYS 55 Ca 0.03 0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 2bpv s LYS 55 Cb -0.08 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2bpv s LYS 55 CO 0.03 0.25 -0.00 0.14 -0.36 0.00 0.00 175.35 175.41 2bpv s VAL 56 N 0.37 1.10 -0.22 4.02 -7.23 -0.22 -4.52 120.40 113.69 2bpv s VAL 56 Ca 0.21 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.28 2bpv s VAL 56 Cb -0.14 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2bpv s VAL 56 CO 0.08 -0.28 0.05 -0.13 -0.31 0.00 0.00 175.10 174.51 2bpv s ARG 57 N -3.86 3.75 -0.33 4.82 0.52 -0.06 -1.52 118.95 122.27 2bpv s ARG 57 Ca 0.30 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 54.88 2bpv s ARG 57 Cb 0.06 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.28 2bpv s ARG 57 CO 0.10 -0.00 0.52 -1.14 0.02 0.00 0.00 175.30 174.79 2bpv s GLN 58 N 1.11 3.75 -0.16 3.54 0.74 0.16 -0.96 119.66 127.84 2bpv s GLN 58 Ca 0.04 -0.02 -0.03 0.00 0.05 0.00 0.00 55.36 55.39 2bpv s GLN 58 Cb -0.14 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 2bpv s GLN 58 CO 0.03 -0.57 -0.05 0.71 -0.55 0.00 0.00 175.29 174.87 2bpv s TYR 59 N 2.39 2.99 0.24 1.67 2.02 -0.45 -1.53 117.35 124.68 2bpv s TYR 59 Ca 0.20 -0.42 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 2bpv s TYR 59 Cb -0.15 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 2bpv s TYR 59 CO 0.12 -0.13 0.38 -0.51 -1.57 0.00 0.00 175.55 173.85 2bpv s ASP 60 N 0.53 6.32 -1.18 2.29 1.01 -1.26 -0.86 116.67 123.53 2bpv s ASP 60 Ca -0.04 0.17 -0.25 0.00 0.71 0.00 0.00 52.55 53.14 2bpv s ASP 60 Cb -0.14 -1.90 0.01 0.00 1.01 0.00 0.00 42.92 41.89 2bpv s ASP 60 CO 0.03 -0.08 0.73 0.00 0.21 0.00 0.00 175.17 176.05 2bpv n GLN 61 N -1.28 -0.92 -4.23 8.23 6.02 -1.10 -4.89 117.38 119.21 2bpv n GLN 61 Ca -0.08 0.30 -0.35 0.00 -0.01 0.00 0.00 57.00 56.86 2bpv n GLN 61 Cb 0.56 -3.52 -0.09 0.00 1.02 0.00 0.00 30.24 28.21 2bpv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpv s ILE 62 N -3.52 4.60 -0.09 5.09 -1.09 0.47 -4.79 121.20 121.87 2bpv s ILE 62 Ca 0.46 -0.13 -0.15 0.00 -2.23 0.00 0.00 60.65 58.60 2bpv s ILE 62 Cb -0.20 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 2bpv s ILE 62 CO 0.91 0.59 0.37 -0.22 -1.23 0.00 0.00 174.94 175.36 2bpv s LEU 63 N -0.70 4.34 0.02 2.97 1.98 -1.26 -1.21 118.68 124.82 2bpv s LEU 63 Ca 0.12 0.75 0.03 0.00 -2.89 0.00 0.00 54.13 52.13 2bpv s LEU 63 Cb -0.12 -2.52 -0.01 0.00 0.66 0.00 0.00 46.19 44.20 2bpv s LEU 63 CO 0.02 0.17 -0.09 -0.63 -1.89 0.00 0.00 176.35 173.94 2bpv s ILE 64 N -0.14 0.69 -0.32 6.68 1.01 0.41 -4.65 121.20 124.88 2bpv s ILE 64 Ca 0.21 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 60.12 2bpv s ILE 64 Cb -0.15 -0.64 0.04 0.00 0.01 0.00 0.00 42.46 41.72 2bpv s ILE 64 CO 0.09 -0.02 0.08 -1.61 0.00 0.00 0.00 174.94 173.48 2bpv s GLU 65 N -0.79 2.68 -0.45 2.79 2.02 -0.80 -0.76 118.70 123.40 2bpv s GLU 65 Ca -0.01 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.75 2bpv s GLU 65 Cb -0.06 -3.39 0.10 0.00 0.10 0.00 0.00 34.13 30.87 2bpv s GLU 65 CO 0.00 -0.61 0.32 0.42 0.02 0.00 0.00 175.26 175.41 2bpv s ILE 66 N 1.40 4.38 -1.22 -1.63 1.01 0.60 -1.66 121.20 124.08 2bpv s ILE 66 Ca -0.01 -1.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.07 2bpv s ILE 66 Cb -0.19 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2bpv s ILE 66 CO 0.02 -0.63 0.78 0.00 0.00 0.00 0.00 174.94 175.11 2bpv n GLY 68 N -1.50 1.34 3.70 0.00 0.00 -1.26 -4.96 105.19 102.51 2bpv n GLY 68 Ca -0.22 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 2bpv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpv s HIS 69 N -0.12 2.58 0.18 1.61 4.02 -0.87 -4.95 115.29 117.74 2bpv s HIS 69 Ca 0.00 0.33 -0.14 0.00 1.02 0.00 0.00 55.06 56.27 2bpv s HIS 69 Cb 0.00 -4.01 -0.07 0.00 -1.02 0.00 0.00 32.58 27.47 2bpv s HIS 69 CO 0.00 -4.00 0.58 0.15 1.02 0.00 0.00 174.74 172.49 2bpv s LYS 70 N 2.13 3.97 -0.05 1.40 1.02 -1.26 -0.29 119.74 126.66 2bpv s LYS 70 Ca 0.74 0.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.11 2bpv s LYS 70 Cb -0.43 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.07 2bpv s LYS 70 CO 0.33 0.41 0.27 0.00 -0.92 0.00 0.00 175.35 175.44 2bpv s ALA 71 N -1.58 -0.67 -0.03 5.17 0.00 0.06 -4.81 121.76 119.90 2bpv s ALA 71 Ca 0.41 0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2bpv s ALA 71 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 2bpv s ALA 71 CO 0.20 -0.20 -0.21 0.42 0.00 0.00 0.00 175.76 175.97 2bpv s ILE 72 N -0.79 1.66 -0.65 0.00 1.01 -1.26 -0.45 121.20 120.73 2bpv s ILE 72 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2bpv s ILE 72 Cb -0.04 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.03 2bpv s ILE 72 CO 0.02 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2bpv n GLY 73 N 2.79 -1.27 3.73 6.18 0.00 -0.35 -4.90 105.19 111.37 2bpv n GLY 73 Ca -0.16 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.56 2bpv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpv s THR 74 N -2.83 4.82 -0.05 2.61 2.01 -1.26 -0.40 115.64 120.55 2bpv s THR 74 Ca 0.00 1.70 0.03 0.00 0.31 0.00 0.00 61.69 63.74 2bpv s THR 74 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2bpv s THR 74 CO 0.00 0.29 -0.14 0.68 -0.69 0.00 0.00 174.62 174.76 2bpv s VAL 75 N 0.38 1.23 -0.15 3.82 -7.23 -0.04 -4.48 120.40 113.94 2bpv s VAL 75 Ca 0.42 -0.58 -0.08 0.00 -1.81 0.00 0.00 61.98 59.92 2bpv s VAL 75 Cb -0.20 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 2bpv s VAL 75 CO 0.23 0.37 0.14 -0.76 -0.31 0.00 0.00 175.10 174.77 2bpv s LEU 76 N 0.27 4.33 -0.14 1.32 1.43 0.03 -1.34 118.68 124.57 2bpv s LEU 76 Ca -0.07 0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 2bpv s LEU 76 Cb -0.12 -2.08 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 2bpv s LEU 76 CO 0.03 0.33 -0.16 -0.69 0.23 0.00 0.00 176.35 176.08 2bpv s VAL 77 N -0.57 2.60 0.00 -1.59 1.01 -0.13 -0.10 120.40 121.63 2bpv s VAL 77 Ca 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2bpv s VAL 77 Cb -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 2bpv s VAL 77 CO 0.02 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2bpv n GLY 78 N 3.92 0.94 2.46 4.51 0.00 -0.34 -0.88 105.19 115.79 2bpv n GLY 78 Ca -0.19 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 2bpv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpv n PRO 79 N 0.00 2.22 -3.57 1.61 -0.04 -1.26 -2.18 135.00 131.78 2bpv n PRO 79 Ca 0.00 -1.42 -0.36 0.00 -0.04 0.00 0.00 63.50 61.68 2bpv n PRO 79 Cb 0.00 -2.38 -0.06 0.00 -0.04 0.00 0.00 33.50 31.02 2bpv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpv s THR 80 N 2.80 5.10 -0.43 0.52 -1.32 -1.26 -4.99 115.64 116.06 2bpv s THR 80 Ca 0.46 0.60 0.26 0.00 -1.21 0.00 0.00 61.69 61.80 2bpv s THR 80 Cb 0.14 -3.66 0.32 0.00 -1.51 0.00 0.00 72.50 67.80 2bpv s THR 80 CO -0.03 0.43 1.75 1.55 -2.21 0.00 0.00 174.62 176.11 2bpv h PRO 81 N 4.22 0.00 -3.72 7.08 0.13 -1.98 -3.43 132.00 134.30 2bpv h PRO 81 Ca -0.51 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2bpv h PRO 81 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2bpv h PRO 81 CO 0.64 0.00 -0.62 0.08 -0.23 0.00 0.00 178.00 177.86 2bpv s VAL 82 N -3.28 0.07 -0.04 1.56 1.01 -1.26 -5.09 120.40 113.37 2bpv s VAL 82 Ca 0.07 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2bpv s VAL 82 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 2bpv s VAL 82 CO 0.58 -0.30 1.12 0.20 0.00 0.00 0.00 175.10 176.70 2bpv s ASN 83 N -0.95 7.15 -0.13 3.32 0.01 -1.26 -4.70 114.94 118.38 2bpv s ASN 83 Ca -0.10 1.75 0.00 0.00 -0.71 0.00 0.00 52.86 53.80 2bpv s ASN 83 Cb -0.06 -2.56 -0.01 0.00 0.41 0.00 0.00 41.25 39.02 2bpv s ASN 83 CO 0.00 -0.48 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.34 2bpv s ILE 84 N 1.78 2.88 -0.41 0.60 -1.09 0.88 -1.26 121.20 124.58 2bpv s ILE 84 Ca 0.54 -0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 58.13 2bpv s ILE 84 Cb -0.23 -2.20 0.05 0.00 -1.58 0.00 0.00 42.46 38.49 2bpv s ILE 84 CO 0.23 0.52 0.26 -0.63 -1.23 0.00 0.00 174.94 174.09 2bpv s ILE 85 N 0.48 4.62 0.44 2.92 -1.09 0.02 -1.56 121.20 127.03 2bpv s ILE 85 Ca -0.10 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.25 2bpv s ILE 85 Cb -0.16 -3.68 0.09 0.00 -1.58 0.00 0.00 42.46 37.13 2bpv s ILE 85 CO 0.05 -0.38 0.61 0.61 -1.23 0.00 0.00 174.94 174.60 2bpv n GLY 86 N 5.02 0.13 0.32 6.18 0.00 -1.11 -1.77 105.19 113.96 2bpv n GLY 86 Ca -0.11 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.12 2bpv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bpv h ARG 87 N 0.00 0.11 -0.50 1.61 3.08 -0.74 -1.67 114.38 116.26 2bpv h ARG 87 Ca -0.20 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.86 2bpv h ARG 87 Cb 0.67 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 2bpv h ARG 87 CO 0.19 0.07 0.33 -2.95 -1.07 0.00 0.00 179.97 176.55 2bpv h ASN 88 N 0.11 0.54 0.02 7.04 -1.07 -1.80 -2.69 115.58 117.73 2bpv h ASN 88 Ca 0.15 -0.01 -0.28 0.00 0.07 0.00 0.00 56.30 56.23 2bpv h ASN 88 Cb 0.44 -0.13 -0.05 0.00 -2.07 0.00 0.00 38.32 36.51 2bpv h ASN 88 CO -0.02 0.38 -2.27 0.18 0.07 0.00 0.00 177.43 175.78 2bpv n LEU 89 N -4.47 0.03 -0.34 6.14 4.77 -0.91 -4.34 117.00 117.88 2bpv n LEU 89 Ca 0.05 0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2bpv n LEU 89 Cb 0.09 0.37 0.17 0.00 -2.33 0.00 0.00 43.42 41.72 2bpv n LEU 89 CO 0.35 0.38 1.27 -0.07 -1.33 0.00 0.00 177.39 177.99 2bpv h LEU 90 N 0.00 1.04 -1.24 2.23 3.38 -1.19 -2.16 115.31 117.37 2bpv h LEU 90 Ca -0.41 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 2bpv h LEU 90 Cb 1.95 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2bpv h LEU 90 CO 0.02 0.72 0.05 0.71 0.09 0.00 0.00 178.44 180.03 2bpv h THR 91 N 1.21 1.19 0.00 0.22 1.35 -1.68 -1.54 112.91 113.67 2bpv h THR 91 Ca 0.37 -0.73 -0.05 0.00 -0.55 0.00 0.00 66.41 65.46 2bpv h THR 91 Cb -0.01 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 2bpv h THR 91 CO -0.11 0.26 -0.22 1.56 -0.25 0.00 0.00 175.52 176.75 2bpv h GLN 92 N 0.55 0.00 -0.61 4.72 1.08 -1.58 -2.25 115.11 117.02 2bpv h GLN 92 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2bpv h GLN 92 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 2bpv h GLN 92 CO 0.00 0.22 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 2bpv n ILE 93 N -3.78 0.81 -2.23 2.54 -5.35 -1.08 -4.94 119.36 105.32 2bpv n ILE 93 Ca -0.02 -0.88 -0.10 0.00 -0.27 0.00 0.00 62.75 61.49 2bpv n ILE 93 Cb 0.33 0.59 -0.00 0.00 -1.74 0.00 0.00 39.64 38.81 2bpv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpv n GLY 94 N 1.58 -0.00 3.76 3.28 0.00 -0.85 -4.99 105.19 107.97 2bpv n GLY 94 Ca 0.22 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2bpv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpv s THR 96 N -0.87 0.12 -0.21 0.00 -1.32 -1.26 -4.72 115.64 107.38 2bpv s THR 96 Ca 0.48 -0.99 -0.07 0.00 -1.21 0.00 0.00 61.69 59.90 2bpv s THR 96 Cb -0.35 -0.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 2bpv s THR 96 CO 0.44 -0.54 0.06 -0.22 -2.21 0.00 0.00 174.62 172.15 2bpv s LEU 97 N -1.81 3.66 0.00 9.08 2.96 -1.26 -5.09 118.68 126.22 2bpv s LEU 97 Ca -0.10 -0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 2bpv s LEU 97 Cb -0.05 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 2bpv s LEU 97 CO -0.02 0.09 -0.14 0.20 -1.32 0.00 0.00 176.35 175.16 2bpv s ASN 98 N 0.85 1.64 0.00 3.68 -0.87 -1.26 -5.30 114.94 113.68 2bpv s ASN 98 Ca 0.04 -0.31 0.00 0.00 -1.57 0.00 0.00 52.86 51.01 2bpv s ASN 98 Cb -0.14 -0.16 0.00 0.00 -0.02 0.00 0.00 41.25 40.93 2bpv s ASN 98 CO 0.02 0.13 0.00 2.22 -2.57 0.00 0.00 177.10 176.90