#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpz s GLN 2 N 0.00 2.54 -0.15 0.54 0.74 -1.26 -5.09 119.66 116.98 2bpz s GLN 2 Ca 0.00 -1.22 -0.12 0.00 0.05 0.00 0.00 55.36 54.07 2bpz s GLN 2 Cb 0.00 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.70 2bpz s GLN 2 CO 0.00 -0.66 0.24 0.42 -0.55 0.00 0.00 175.29 174.75 2bpz s ILE 3 N 1.34 5.33 0.36 -2.34 1.01 -1.26 -5.09 121.20 120.55 2bpz s ILE 3 Ca -0.03 0.44 0.02 0.00 0.00 0.00 0.00 60.65 61.08 2bpz s ILE 3 Cb -0.20 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 2bpz s ILE 3 CO 0.01 0.44 0.54 0.42 0.00 0.00 0.00 174.94 176.36 2bpz s THR 4 N 0.14 4.76 -0.35 2.92 -4.23 -1.26 -5.04 115.64 112.58 2bpz s THR 4 Ca 0.15 -0.60 0.08 0.00 -1.18 0.00 0.00 61.69 60.14 2bpz s THR 4 Cb -0.13 -3.72 0.65 0.00 1.34 0.00 0.00 72.50 70.63 2bpz s THR 4 CO 0.03 -0.44 1.73 0.18 -0.54 0.00 0.00 174.62 175.59 2bpz n LEU 5 N -1.79 5.66 0.02 4.79 4.32 -1.26 -4.39 117.00 124.35 2bpz n LEU 5 Ca -0.03 -3.47 -0.11 0.00 -0.02 0.00 0.00 56.01 52.37 2bpz n LEU 5 Cb 0.57 -0.73 0.02 0.00 -1.62 0.00 0.00 43.42 41.65 2bpz n LEU 5 CO 0.47 0.99 0.38 -0.50 -1.22 0.00 0.00 177.39 177.51 2bpz h TRP 6 N 1.63 0.68 -1.84 -1.77 4.06 -2.05 -3.45 115.95 113.21 2bpz h TRP 6 Ca 0.36 -0.28 -0.60 0.00 2.06 0.00 0.00 58.89 60.43 2bpz h TRP 6 Cb 2.29 -0.11 -0.13 0.00 -1.00 0.00 0.00 29.16 30.20 2bpz h TRP 6 CO 1.27 1.05 -0.59 -0.65 -3.56 0.00 0.00 178.44 175.95 2bpz s GLN 7 N -3.75 1.91 0.25 0.49 1.11 -1.26 -5.10 119.66 113.30 2bpz s GLN 7 Ca -0.07 -2.09 -0.30 0.00 0.01 0.00 0.00 55.36 52.91 2bpz s GLN 7 Cb 0.10 -1.44 -0.10 0.00 -1.01 0.00 0.00 33.01 30.56 2bpz s GLN 7 CO 0.85 -0.11 1.47 1.03 0.01 0.00 0.00 175.29 178.54 2bpz s ARG 8 N -3.76 4.24 -1.31 2.91 0.52 -1.26 -4.89 118.95 115.39 2bpz s ARG 8 Ca 0.33 2.35 -0.17 0.00 -0.52 0.00 0.00 55.73 57.72 2bpz s ARG 8 Cb 0.09 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.49 2bpz s ARG 8 CO 0.16 -0.47 1.93 -0.35 0.02 0.00 0.00 175.30 176.59 2bpz n PRO 9 N 2.44 2.86 -3.40 3.54 -0.04 -1.26 -4.95 135.00 134.19 2bpz n PRO 9 Ca 0.08 -2.91 -0.38 0.00 -0.04 0.00 0.00 63.50 60.24 2bpz n PRO 9 Cb 0.40 -3.42 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 2bpz n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bpz s LEU 10 N 3.97 4.40 0.26 1.53 2.01 -1.26 -1.73 118.68 127.86 2bpz s LEU 10 Ca 0.53 0.94 0.04 0.00 0.01 0.00 0.00 54.13 55.64 2bpz s LEU 10 Cb 0.07 -2.66 -0.05 0.00 0.01 0.00 0.00 46.19 43.56 2bpz s LEU 10 CO 0.03 0.19 0.02 0.68 1.01 0.00 0.00 176.35 178.28 2bpz s VAL 11 N -0.41 1.07 -0.20 -1.59 -7.23 0.28 -4.92 120.40 107.40 2bpz s VAL 11 Ca 0.25 -2.03 -0.14 0.00 -1.81 0.00 0.00 61.98 58.25 2bpz s VAL 11 Cb -0.16 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2bpz s VAL 11 CO 0.13 -0.22 0.30 -0.89 -0.31 0.00 0.00 175.10 174.11 2bpz s THR 12 N -3.39 5.28 0.13 5.32 2.01 -1.26 -0.81 115.64 122.92 2bpz s THR 12 Ca 0.31 0.51 0.11 0.00 0.31 0.00 0.00 61.69 62.93 2bpz s THR 12 Cb 0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 2bpz s THR 12 CO 0.11 0.32 -0.25 0.27 -0.69 0.00 0.00 174.62 174.38 2bpz s ILE 13 N 0.97 2.38 -0.11 1.82 -4.36 0.64 -2.35 121.20 120.19 2bpz s ILE 13 Ca 0.15 -1.73 0.03 0.00 -0.26 0.00 0.00 60.65 58.84 2bpz s ILE 13 Cb -0.14 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.50 2bpz s ILE 13 CO 0.05 0.07 -0.22 -0.75 0.24 0.00 0.00 174.94 174.34 2bpz s LYS 14 N -2.13 3.08 -0.14 0.37 2.20 0.16 -0.52 119.74 122.76 2bpz s LYS 14 Ca 0.15 -0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 54.83 2bpz s LYS 14 Cb -0.10 -2.38 0.05 0.00 -1.51 0.00 0.00 37.83 33.89 2bpz s LYS 14 CO 0.07 0.13 0.33 -1.50 -0.36 0.00 0.00 175.35 174.02 2bpz s ILE 15 N 0.48 -0.03 -1.45 5.43 2.07 -0.29 -1.25 121.20 126.16 2bpz s ILE 15 Ca -0.15 0.10 -0.07 0.00 -1.41 0.00 0.00 60.65 59.13 2bpz s ILE 15 Cb -0.17 -0.50 0.03 0.00 0.13 0.00 0.00 42.46 41.96 2bpz s ILE 15 CO 0.06 0.04 0.59 0.61 -1.91 0.00 0.00 174.94 174.33 2bpz n GLY 16 N 4.07 -0.51 2.88 1.50 0.00 -1.26 -0.96 105.19 110.90 2bpz n GLY 16 Ca -0.23 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2bpz n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpz n GLY 17 N -1.41 0.70 3.55 -0.02 0.00 -1.26 -5.00 105.19 101.74 2bpz n GLY 17 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2bpz n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2bpz s GLN 18 N -0.23 2.70 -0.26 1.61 -0.21 -0.14 -5.09 119.66 118.04 2bpz s GLN 18 Ca 0.00 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.66 2bpz s GLN 18 Cb 0.00 -2.53 -0.05 0.00 1.00 0.00 0.00 33.01 31.43 2bpz s GLN 18 CO 0.00 0.64 0.25 -0.51 -2.12 0.00 0.00 175.29 173.55 2bpz s LEU 19 N -0.75 4.07 0.21 2.90 1.43 -1.26 -1.13 118.68 124.14 2bpz s LEU 19 Ca 0.11 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 2bpz s LEU 19 Cb -0.11 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2bpz s LEU 19 CO 0.01 -0.05 -0.10 -0.54 0.23 0.00 0.00 176.35 175.90 2bpz s LYS 20 N 1.55 1.31 -0.11 1.70 1.02 0.32 -4.99 119.74 120.53 2bpz s LYS 20 Ca 0.10 -1.60 -0.03 0.00 0.02 0.00 0.00 55.97 54.46 2bpz s LYS 20 Cb -0.15 -0.96 -0.03 0.00 -0.52 0.00 0.00 37.83 36.17 2bpz s LYS 20 CO 0.08 0.10 0.01 -2.00 -0.92 0.00 0.00 175.35 172.63 2bpz s GLU 21 N -3.71 3.28 0.05 1.68 2.12 -1.26 -0.26 118.70 120.61 2bpz s GLU 21 Ca 0.23 -0.40 -0.03 0.00 0.36 0.00 0.00 54.97 55.12 2bpz s GLU 21 Cb 0.01 -2.90 -0.03 0.00 0.26 0.00 0.00 34.13 31.48 2bpz s GLU 21 CO 0.06 0.56 0.04 0.00 -0.54 0.00 0.00 175.26 175.38 2bpz s ALA 22 N -0.48 0.22 -0.03 6.30 0.00 0.01 -4.52 121.76 123.27 2bpz s ALA 22 Ca 0.09 -0.92 -0.17 0.00 0.00 0.00 0.00 51.96 50.96 2bpz s ALA 22 Cb -0.12 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 2bpz s ALA 22 CO 0.02 -0.37 0.46 -1.17 0.00 0.00 0.00 175.76 174.70 2bpz s LEU 23 N -2.64 4.42 -0.64 0.00 0.20 -0.18 -0.55 118.68 119.28 2bpz s LEU 23 Ca 0.03 0.97 -0.23 0.00 0.69 0.00 0.00 54.13 55.59 2bpz s LEU 23 Cb 0.04 -2.68 0.07 0.00 -0.43 0.00 0.00 46.19 43.19 2bpz s LEU 23 CO -0.08 0.21 0.95 -0.76 -0.29 0.00 0.00 176.35 176.37 2bpz s LEU 24 N -0.50 4.37 -0.41 -0.68 1.43 -0.71 -0.07 118.68 122.12 2bpz s LEU 24 Ca 0.25 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 2bpz s LEU 24 Cb -0.17 -2.47 0.07 0.00 0.03 0.00 0.00 46.19 43.65 2bpz s LEU 24 CO 0.13 -1.39 0.24 -0.62 0.23 0.00 0.00 176.35 174.94 2bpz s ASP 25 N 3.54 5.60 0.52 2.29 -1.08 -0.01 -4.87 116.67 122.65 2bpz s ASP 25 Ca 0.23 -1.47 0.30 0.00 -0.52 0.00 0.00 52.55 51.09 2bpz s ASP 25 Cb -0.16 -1.97 1.08 0.00 -1.46 0.00 0.00 42.92 40.40 2bpz s ASP 25 CO 0.11 -0.51 1.88 0.71 0.52 0.00 0.00 175.17 177.88 2bpz h THR 26 N 6.09 0.04 -0.00 1.71 1.35 -1.94 -2.83 112.91 117.32 2bpz h THR 26 Ca -0.23 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 2bpz h THR 26 Cb 1.08 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 2bpz h THR 26 CO 0.74 0.02 -0.22 0.61 -0.25 0.00 0.00 175.52 176.42 2bpz n GLY 27 N 0.32 -0.99 3.62 5.82 0.00 -1.26 -4.79 105.19 107.90 2bpz n GLY 27 Ca 0.01 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 2bpz n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpz s ALA 28 N -2.65 3.56 0.09 4.61 0.00 -1.07 -4.97 121.76 121.34 2bpz s ALA 28 Ca 0.22 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.15 2bpz s ALA 28 Cb 0.19 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.65 2bpz s ALA 28 CO 0.54 -0.51 1.39 -0.44 0.00 0.00 0.00 175.76 176.74 2bpz h ASP 29 N 8.04 0.75 -1.49 0.00 3.32 -1.86 0.42 116.42 125.60 2bpz h ASP 29 Ca -0.34 -0.51 -0.51 0.00 0.02 0.00 0.00 57.03 55.69 2bpz h ASP 29 Cb 1.17 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2bpz h ASP 29 CO 0.62 1.11 -0.39 -1.81 -1.72 0.00 0.00 179.24 177.05 2bpz s ASP 30 N -6.61 4.92 -0.27 6.45 1.01 -1.26 -3.02 116.67 117.89 2bpz s ASP 30 Ca -0.12 -0.83 -0.08 0.00 0.71 0.00 0.00 52.55 52.23 2bpz s ASP 30 Cb 0.08 -0.51 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 2bpz s ASP 30 CO 0.83 -0.65 0.10 -0.89 0.21 0.00 0.00 175.17 174.77 2bpz s THR 31 N -2.51 4.49 -0.12 -1.27 2.01 -1.26 -3.33 115.64 113.65 2bpz s THR 31 Ca 0.46 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.28 2bpz s THR 31 Cb -0.02 -3.16 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 2bpz s THR 31 CO 0.27 0.26 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 2bpz s VAL 32 N 1.63 2.48 0.22 3.82 1.01 -0.84 -1.15 120.40 127.57 2bpz s VAL 32 Ca 0.06 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2bpz s VAL 32 Cb -0.16 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2bpz s VAL 32 CO 0.05 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.74 2bpz s LEU 33 N 0.47 2.52 0.58 3.92 1.02 0.56 -0.67 118.68 127.09 2bpz s LEU 33 Ca -0.13 -0.96 -0.18 0.00 0.02 0.00 0.00 54.13 52.88 2bpz s LEU 33 Cb -0.17 -0.94 -0.04 0.00 0.02 0.00 0.00 46.19 45.06 2bpz s LEU 33 CO 0.05 -0.02 1.12 -1.61 0.02 0.00 0.00 176.35 175.91 2bpz s GLU 34 N -3.26 3.20 -0.28 1.70 2.02 -1.26 -1.51 118.70 119.32 2bpz s GLU 34 Ca 0.23 1.52 -0.38 0.00 0.02 0.00 0.00 54.97 56.36 2bpz s GLU 34 Cb -0.04 -1.99 -0.17 0.00 0.10 0.00 0.00 34.13 32.02 2bpz s GLU 34 CO 0.10 -0.96 1.22 0.39 0.02 0.00 0.00 175.26 176.03 2bpz n GLU 35 N -1.65 0.00 -3.58 1.61 -0.58 -1.00 -4.62 120.64 110.81 2bpz n GLU 35 Ca 0.11 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2bpz n GLU 35 Cb 0.51 -1.30 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 2bpz n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bpz s MET 36 N 1.67 1.08 -0.21 3.49 0.23 -1.26 -5.02 119.30 119.27 2bpz s MET 36 Ca 0.86 -0.48 -0.13 0.00 -1.03 0.00 0.00 55.69 54.91 2bpz s MET 36 Cb -1.23 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 32.47 2bpz s MET 36 CO 0.63 -0.48 0.27 -1.54 -2.03 0.00 0.00 175.02 171.87 2bpz s SER 37 N -2.69 6.28 0.02 -1.18 1.04 -1.26 -5.01 113.70 110.91 2bpz s SER 37 Ca 0.07 0.32 0.08 0.00 0.48 0.00 0.00 55.95 56.90 2bpz s SER 37 Cb -0.01 -2.16 -0.02 0.00 0.10 0.00 0.00 66.02 63.92 2bpz s SER 37 CO -0.05 0.02 -0.24 -0.76 0.98 0.00 0.00 173.24 173.18 2bpz s LEU 38 N 1.06 2.12 0.69 2.42 1.43 -1.26 -5.05 118.68 120.08 2bpz s LEU 38 Ca 0.13 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.58 2bpz s LEU 38 Cb -0.14 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.88 2bpz s LEU 38 CO 0.05 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 2bpz s PRO 39 N -0.96 2.70 0.00 1.29 0.04 -1.26 -4.89 135.00 131.92 2bpz s PRO 39 Ca 0.10 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2bpz s PRO 39 Cb -0.09 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2bpz s PRO 39 CO 0.01 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2bpz n GLY 40 N -0.96 0.93 3.92 0.56 0.00 -1.26 -4.99 105.19 103.40 2bpz n GLY 40 Ca 0.09 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 2bpz n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bpz s ARG 41 N -1.61 3.56 0.39 1.61 1.81 -1.26 -5.10 118.95 118.33 2bpz s ARG 41 Ca 0.00 -0.20 0.08 0.00 -1.72 0.00 0.00 55.73 53.89 2bpz s ARG 41 Cb 0.00 -2.71 -0.07 0.00 -0.45 0.00 0.00 34.95 31.71 2bpz s ARG 41 CO 0.00 0.25 -0.03 1.67 -0.68 0.00 0.00 175.30 176.52 2bpz s TRP 42 N -2.08 2.48 -0.06 -0.53 1.48 -1.26 -4.58 118.94 114.39 2bpz s TRP 42 Ca 0.41 -0.61 0.02 0.00 -1.06 0.00 0.00 56.10 54.86 2bpz s TRP 42 Cb -0.10 -1.64 0.01 0.00 -1.16 0.00 0.00 33.47 30.58 2bpz s TRP 42 CO 0.31 0.50 -0.11 0.21 -4.06 0.00 0.00 176.95 173.80 2bpz s LYS 43 N -3.68 1.46 0.36 3.25 2.47 -0.85 -4.91 119.74 117.84 2bpz s LYS 43 Ca 0.34 -0.35 -0.28 0.00 -1.56 0.00 0.00 55.97 54.12 2bpz s LYS 43 Cb 0.07 -1.25 -0.10 0.00 -1.46 0.00 0.00 37.83 35.10 2bpz s LYS 43 CO 0.17 0.03 1.27 -2.14 0.16 0.00 0.00 175.35 174.85 2bpz s PRO 44 N 0.62 4.23 0.01 4.03 0.02 -1.26 -0.17 135.00 142.48 2bpz s PRO 44 Ca -0.12 2.12 -0.17 0.00 0.02 0.00 0.00 61.00 62.85 2bpz s PRO 44 Cb -0.15 -2.94 0.03 0.00 0.02 0.00 0.00 34.50 31.46 2bpz s PRO 44 CO 0.03 -0.26 0.37 0.21 -0.33 0.00 0.00 177.00 177.02 2bpz s LYS 45 N -1.95 0.81 -0.13 5.54 2.20 -0.76 -4.88 119.74 120.57 2bpz s LYS 45 Ca 0.52 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.87 2bpz s LYS 45 Cb -0.38 0.36 -0.00 0.00 -1.51 0.00 0.00 37.83 36.30 2bpz s LYS 45 CO 0.49 -0.26 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.41 2bpz s MET 46 N -1.95 3.21 0.04 4.03 -1.94 -1.26 -0.77 119.30 120.65 2bpz s MET 46 Ca -0.09 -0.78 0.06 0.00 -1.71 0.00 0.00 55.69 53.17 2bpz s MET 46 Cb -0.02 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.28 2bpz s MET 46 CO 0.01 0.13 -0.17 0.96 -0.01 0.00 0.00 175.02 175.94 2bpz s ILE 47 N 0.52 1.34 0.31 2.53 -4.36 -0.80 -4.96 121.20 115.77 2bpz s ILE 47 Ca -0.11 -1.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 2bpz s ILE 47 Cb -0.16 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.35 2bpz s ILE 47 CO 0.04 0.11 0.15 0.61 0.24 0.00 0.00 174.94 176.09 2bpz n GLY 48 N 1.94 3.33 0.00 6.27 0.00 -1.26 -0.79 105.19 114.68 2bpz n GLY 48 Ca -0.17 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2bpz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpz n GLY 49 N -0.28 -0.69 3.74 -0.02 0.00 -0.67 -4.97 105.19 102.31 2bpz n GLY 49 Ca -0.02 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2bpz n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2bpz s ILE 50 N -3.67 3.31 0.00 -0.61 -5.25 -1.26 -1.98 121.20 111.74 2bpz s ILE 50 Ca 0.00 1.09 0.00 0.00 -0.99 0.00 0.00 60.65 60.75 2bpz s ILE 50 Cb 0.00 -3.70 0.00 0.00 2.95 0.00 0.00 42.46 41.71 2bpz s ILE 50 CO 0.00 0.17 0.00 0.61 -1.79 0.00 0.00 174.94 173.93 2bpz n GLY 51 N 2.23 3.05 0.00 6.27 0.00 -1.26 -4.97 105.19 110.51 2bpz n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2bpz n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpz n GLY 52 N -1.19 0.53 3.76 -0.02 0.00 -0.84 -5.07 105.19 102.35 2bpz n GLY 52 Ca 0.00 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.50 2bpz n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bpz s PHE 53 N -0.08 3.06 0.02 1.61 0.40 -1.26 -1.67 117.98 120.07 2bpz s PHE 53 Ca 0.00 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.29 2bpz s PHE 53 Cb 0.00 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 2bpz s PHE 53 CO 0.00 0.52 -0.04 0.96 0.70 0.00 0.00 175.22 177.36 2bpz s ILE 54 N -1.74 0.22 -0.09 0.64 -4.36 0.03 -4.97 121.20 110.93 2bpz s ILE 54 Ca 0.30 -0.88 -0.21 0.00 -0.26 0.00 0.00 60.65 59.61 2bpz s ILE 54 Cb -0.10 -0.33 -0.04 0.00 1.25 0.00 0.00 42.46 43.24 2bpz s ILE 54 CO 0.22 -0.42 0.59 -0.75 0.24 0.00 0.00 174.94 174.81 2bpz s LYS 55 N -1.36 4.38 0.30 0.37 2.36 -1.26 -1.91 119.74 122.62 2bpz s LYS 55 Ca -0.13 0.66 0.02 0.00 -2.55 0.00 0.00 55.97 53.98 2bpz s LYS 55 Cb -0.09 -3.44 -0.05 0.00 -1.05 0.00 0.00 37.83 33.20 2bpz s LYS 55 CO -0.01 0.13 0.10 0.14 1.55 0.00 0.00 175.35 177.27 2bpz s VAL 56 N 0.66 0.65 -0.16 4.02 -7.23 0.05 -4.50 120.40 113.89 2bpz s VAL 56 Ca 0.32 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 2bpz s VAL 56 Cb -0.16 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 2bpz s VAL 56 CO 0.14 0.00 -0.11 -0.13 -0.31 0.00 0.00 175.10 174.69 2bpz s ARG 57 N -3.92 3.33 -0.43 4.82 0.52 0.32 -1.83 118.95 121.75 2bpz s ARG 57 Ca 0.36 -0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 54.69 2bpz s ARG 57 Cb 0.07 -2.73 0.03 0.00 0.52 0.00 0.00 34.95 32.83 2bpz s ARG 57 CO 0.15 0.04 0.53 -1.14 0.02 0.00 0.00 175.30 174.90 2bpz s GLN 58 N 0.80 3.16 -0.20 3.54 0.74 0.76 -0.81 119.66 127.65 2bpz s GLN 58 Ca -0.04 -0.63 -0.08 0.00 0.05 0.00 0.00 55.36 54.66 2bpz s GLN 58 Cb -0.15 -3.97 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 2bpz s GLN 58 CO 0.01 -0.94 0.08 0.71 -0.55 0.00 0.00 175.29 174.60 2bpz s TYR 59 N 2.43 3.26 0.24 1.67 2.02 -0.43 -2.01 117.35 124.54 2bpz s TYR 59 Ca 0.16 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 2bpz s TYR 59 Cb -0.16 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2bpz s TYR 59 CO 0.15 0.12 0.42 -0.51 -1.57 0.00 0.00 175.55 174.16 2bpz s ASP 60 N 0.56 6.34 -0.97 2.29 1.01 -1.26 -0.98 116.67 123.66 2bpz s ASP 60 Ca 0.04 0.32 -0.13 0.00 0.71 0.00 0.00 52.55 53.50 2bpz s ASP 60 Cb -0.13 -1.97 0.01 0.00 1.01 0.00 0.00 42.92 41.84 2bpz s ASP 60 CO 0.01 -0.11 0.68 0.00 0.21 0.00 0.00 175.17 175.96 2bpz n GLN 61 N -1.12 -1.15 -4.14 8.23 6.02 -1.15 -4.92 117.38 119.14 2bpz n GLN 61 Ca -0.06 0.65 -0.27 0.00 -0.01 0.00 0.00 57.00 57.30 2bpz n GLN 61 Cb 0.55 -3.30 -0.07 0.00 1.02 0.00 0.00 30.24 28.44 2bpz n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bpz s ILE 62 N -3.22 4.07 -0.21 5.09 -1.09 -0.11 -4.81 121.20 120.92 2bpz s ILE 62 Ca 0.23 -1.19 -0.08 0.00 -2.23 0.00 0.00 60.65 57.38 2bpz s ILE 62 Cb -0.10 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.71 2bpz s ILE 62 CO 0.88 -0.05 0.07 -0.22 -1.23 0.00 0.00 174.94 174.39 2bpz s LEU 63 N -2.84 3.71 -0.04 2.97 1.98 -1.26 -1.18 118.68 122.02 2bpz s LEU 63 Ca 0.28 -0.01 0.04 0.00 -2.89 0.00 0.00 54.13 51.55 2bpz s LEU 63 Cb -0.10 -1.96 -0.00 0.00 0.66 0.00 0.00 46.19 44.79 2bpz s LEU 63 CO 0.20 0.10 -0.15 -0.63 -1.89 0.00 0.00 176.35 173.98 2bpz s ILE 64 N 0.84 1.27 -0.42 6.68 1.01 0.16 -4.62 121.20 126.11 2bpz s ILE 64 Ca 0.04 -0.62 -0.12 0.00 0.00 0.00 0.00 60.65 59.94 2bpz s ILE 64 Cb -0.14 -1.09 0.06 0.00 0.01 0.00 0.00 42.46 41.30 2bpz s ILE 64 CO 0.02 0.37 0.29 -0.70 0.00 0.00 0.00 174.94 174.92 2bpz s GLU 65 N 0.09 2.82 -0.51 2.79 2.12 -0.38 -0.44 118.70 125.18 2bpz s GLU 65 Ca -0.04 -1.27 -0.16 0.00 0.36 0.00 0.00 54.97 53.86 2bpz s GLU 65 Cb -0.11 -3.89 0.10 0.00 0.26 0.00 0.00 34.13 30.49 2bpz s GLU 65 CO 0.02 -0.88 0.47 0.42 -0.54 0.00 0.00 175.26 174.75 2bpz s ILE 66 N 1.56 5.18 -1.30 -3.70 1.01 0.12 -0.66 121.20 123.41 2bpz s ILE 66 Ca 0.03 -1.22 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 2bpz s ILE 66 Cb -0.22 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2bpz s ILE 66 CO 0.06 -0.75 0.83 0.00 0.00 0.00 0.00 174.94 175.08 2bpz n GLY 68 N -1.49 2.65 3.70 0.00 0.00 -1.26 -4.98 105.19 103.81 2bpz n GLY 68 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2bpz n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bpz s HIS 69 N -0.80 3.53 0.27 1.61 4.02 -0.81 -5.02 115.29 118.09 2bpz s HIS 69 Ca 0.00 1.54 -0.18 0.00 1.02 0.00 0.00 55.06 57.44 2bpz s HIS 69 Cb 0.00 -3.23 -0.09 0.00 -1.02 0.00 0.00 32.58 28.25 2bpz s HIS 69 CO 0.00 -0.45 0.74 0.15 1.02 0.00 0.00 174.74 176.20 2bpz s LYS 70 N 1.38 4.16 -0.01 1.40 1.02 -1.26 0.13 119.74 126.56 2bpz s LYS 70 Ca 0.53 0.81 -0.10 0.00 0.02 0.00 0.00 55.97 57.23 2bpz s LYS 70 Cb -0.22 -2.67 0.01 0.00 -0.52 0.00 0.00 37.83 34.43 2bpz s LYS 70 CO 0.25 0.28 0.20 0.00 -0.92 0.00 0.00 175.35 175.16 2bpz s ALA 71 N -1.74 -0.48 -0.02 5.17 0.00 0.41 -4.81 121.76 120.29 2bpz s ALA 71 Ca 0.48 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.54 2bpz s ALA 71 Cb -0.14 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 2bpz s ALA 71 CO 0.19 -0.22 -0.20 0.42 0.00 0.00 0.00 175.76 175.95 2bpz s ILE 72 N -1.32 1.57 -1.37 0.00 -1.09 -1.26 -0.67 121.20 117.07 2bpz s ILE 72 Ca -0.14 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.44 2bpz s ILE 72 Cb -0.07 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.50 2bpz s ILE 72 CO 0.02 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.79 2bpz n GLY 73 N 2.68 -1.46 3.74 6.18 0.00 -0.32 -4.91 105.19 111.10 2bpz n GLY 73 Ca -0.16 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 2bpz n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpz s THR 74 N -2.42 4.18 -0.07 2.61 2.01 -1.26 -0.93 115.64 119.76 2bpz s THR 74 Ca 0.00 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.96 2bpz s THR 74 Cb 0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.29 2bpz s THR 74 CO 0.00 0.37 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 2bpz s VAL 75 N -0.49 0.75 -0.22 3.82 1.01 -0.15 -4.45 120.40 120.67 2bpz s VAL 75 Ca 0.45 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.14 2bpz s VAL 75 Cb -0.26 -0.78 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2bpz s VAL 75 CO 0.32 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 175.11 2bpz s LEU 76 N 1.26 4.16 -0.16 3.92 1.43 -0.30 -1.32 118.68 127.67 2bpz s LEU 76 Ca -0.05 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2bpz s LEU 76 Cb -0.14 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2bpz s LEU 76 CO -0.02 0.12 -0.04 -0.69 0.23 0.00 0.00 176.35 175.94 2bpz s VAL 77 N 0.72 3.81 0.00 -1.59 1.01 0.01 -0.32 120.40 124.04 2bpz s VAL 77 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.68 2bpz s VAL 77 Cb -0.12 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2bpz s VAL 77 CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2bpz n GLY 78 N 3.66 0.92 2.50 4.51 0.00 -0.57 -0.52 105.19 115.70 2bpz n GLY 78 Ca -0.17 -0.83 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 2bpz n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bpz n PRO 79 N 0.00 3.14 -3.48 1.61 -0.04 -1.26 -2.36 135.00 132.60 2bpz n PRO 79 Ca 0.00 -2.17 -0.35 0.00 -0.04 0.00 0.00 63.50 60.94 2bpz n PRO 79 Cb 0.00 -2.88 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 2bpz n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bpz s THR 80 N 2.76 4.99 0.11 0.52 -1.32 -1.26 -4.98 115.64 116.46 2bpz s THR 80 Ca 0.59 0.58 0.30 0.00 -1.21 0.00 0.00 61.69 61.95 2bpz s THR 80 Cb 0.16 -3.68 0.33 0.00 -1.51 0.00 0.00 72.50 67.80 2bpz s THR 80 CO -0.05 0.23 1.92 1.55 -2.21 0.00 0.00 174.62 176.06 2bpz h PRO 81 N 3.53 0.00 -2.72 7.08 0.13 -1.98 -3.44 132.00 134.61 2bpz h PRO 81 Ca -0.49 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2bpz h PRO 81 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 2bpz h PRO 81 CO 0.67 0.08 -0.16 0.54 -0.23 0.00 0.00 178.00 178.89 2bpz s VAL 82 N -3.66 0.03 0.03 1.56 0.11 -1.26 -5.10 120.40 112.10 2bpz s VAL 82 Ca 0.01 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.53 2bpz s VAL 82 Cb 0.09 -0.69 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 2bpz s VAL 82 CO 0.58 -0.12 1.32 0.20 -3.33 0.00 0.00 175.10 173.75 2bpz s ASN 83 N -0.77 6.93 -0.03 3.54 0.01 -1.26 -4.77 114.94 118.59 2bpz s ASN 83 Ca -0.08 2.09 0.05 0.00 -0.71 0.00 0.00 52.86 54.20 2bpz s ASN 83 Cb -0.04 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2bpz s ASN 83 CO 0.04 -0.63 -0.16 0.27 -1.51 0.00 0.00 177.10 175.11 2bpz s ILE 84 N 1.79 1.33 -0.28 0.60 -5.25 0.16 -1.01 121.20 118.55 2bpz s ILE 84 Ca 0.62 -0.69 -0.09 0.00 -0.99 0.00 0.00 60.65 59.49 2bpz s ILE 84 Cb -0.31 -1.13 -0.03 0.00 2.95 0.00 0.00 42.46 43.94 2bpz s ILE 84 CO 0.27 0.38 0.14 -0.63 -1.79 0.00 0.00 174.94 173.31 2bpz s ILE 85 N -0.18 4.77 0.42 8.37 -1.09 0.91 -1.98 121.20 132.41 2bpz s ILE 85 Ca 0.02 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.34 2bpz s ILE 85 Cb -0.09 -3.30 0.08 0.00 -1.58 0.00 0.00 42.46 37.57 2bpz s ILE 85 CO 0.01 0.23 0.58 0.61 -1.23 0.00 0.00 174.94 175.13 2bpz n GLY 86 N 4.99 1.13 0.30 6.18 0.00 -1.21 -0.83 105.19 115.75 2bpz n GLY 86 Ca -0.15 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 43.90 2bpz n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bpz h ARG 87 N 0.00 0.15 -0.78 1.61 3.08 -0.93 -1.02 114.38 116.50 2bpz h ARG 87 Ca -0.19 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.88 2bpz h ARG 87 Cb 0.76 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.73 2bpz h ARG 87 CO 0.23 0.10 0.50 -2.95 -1.07 0.00 0.00 179.97 176.77 2bpz h ASN 88 N 0.16 0.82 0.54 7.04 -1.07 -1.80 -2.44 115.58 118.84 2bpz h ASN 88 Ca 0.10 -0.01 -0.25 0.00 0.07 0.00 0.00 56.30 56.22 2bpz h ASN 88 Cb 0.20 -0.18 -0.04 0.00 -2.07 0.00 0.00 38.32 36.22 2bpz h ASN 88 CO -0.02 0.57 -1.63 0.18 0.07 0.00 0.00 177.43 176.61 2bpz n LEU 89 N -4.60 0.83 -0.10 6.14 4.77 -0.98 -4.13 117.00 118.93 2bpz n LEU 89 Ca 0.09 0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 2bpz n LEU 89 Cb 0.08 0.15 0.25 0.00 -2.33 0.00 0.00 43.42 41.57 2bpz n LEU 89 CO 0.34 0.30 1.04 -0.07 -1.33 0.00 0.00 177.39 177.66 2bpz h LEU 90 N 0.00 0.68 -1.01 2.23 3.38 -1.07 -2.58 115.31 116.94 2bpz h LEU 90 Ca -0.25 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2bpz h LEU 90 Cb 1.86 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.40 2bpz h LEU 90 CO 0.06 0.64 0.27 0.71 0.09 0.00 0.00 178.44 180.22 2bpz h THR 91 N 0.74 1.23 0.00 0.22 1.35 -1.59 -2.26 112.91 112.59 2bpz h THR 91 Ca 0.17 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 2bpz h THR 91 Cb 0.19 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.02 2bpz h THR 91 CO -0.01 0.29 -0.14 1.56 -0.25 0.00 0.00 175.52 176.97 2bpz h GLN 92 N 0.97 0.00 -0.69 4.72 1.08 -1.63 -1.94 115.11 117.61 2bpz h GLN 92 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 2bpz h GLN 92 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2bpz h GLN 92 CO -0.02 0.14 0.00 0.44 -0.95 0.00 0.00 178.83 178.44 2bpz n ILE 93 N -4.06 0.92 -2.89 2.54 -5.35 -1.14 -4.96 119.36 104.43 2bpz n ILE 93 Ca -0.02 -0.92 -0.16 0.00 -0.27 0.00 0.00 62.75 61.38 2bpz n ILE 93 Cb 0.22 0.46 0.03 0.00 -1.74 0.00 0.00 39.64 38.61 2bpz n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bpz n GLY 94 N 1.59 -0.12 3.73 3.28 0.00 -0.73 -4.98 105.19 107.95 2bpz n GLY 94 Ca 0.23 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2bpz n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpz s THR 96 N 0.11 1.04 -0.16 0.00 -4.23 -1.26 -4.75 115.64 106.38 2bpz s THR 96 Ca 0.49 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 2bpz s THR 96 Cb -0.25 -1.75 -0.02 0.00 1.34 0.00 0.00 72.50 71.82 2bpz s THR 96 CO 0.31 -0.75 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.37 2bpz s LEU 97 N -3.04 3.11 0.12 4.79 2.96 -1.26 -5.10 118.68 120.27 2bpz s LEU 97 Ca 0.14 -0.20 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 2bpz s LEU 97 Cb 0.02 -1.75 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 2bpz s LEU 97 CO -0.01 0.14 -0.16 0.20 -1.32 0.00 0.00 176.35 175.20 2bpz s ASN 98 N 0.56 2.17 0.00 3.68 0.01 -1.26 -5.31 114.94 114.79 2bpz s ASN 98 Ca -0.04 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 2bpz s ASN 98 Cb -0.15 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.42 2bpz s ASN 98 CO 0.03 -0.09 0.00 2.22 -1.51 0.00 0.00 177.10 177.74