#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 3.06 -0.11 0.54 0.74 -1.26 -5.10 119.66 117.53 2bpz s GLN 2 Ca 0.00 -0.49 0.02 0.00 0.05 0.00 0.00 55.36 54.95 2bpz s GLN 2 Cb 0.00 -2.75 0.01 0.00 1.10 0.00 0.00 33.01 31.37 2bpz s GLN 2 CO 0.00 0.58 -0.16 0.42 -0.55 0.00 0.00 175.29 175.58 2bpz s ILE 3 N -0.56 1.57 0.27 -2.34 1.01 -1.26 -5.13 121.20 114.76 2bpz s ILE 3 Ca 0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 2bpz s ILE 3 Cb -0.12 -1.42 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2bpz s ILE 3 CO 0.02 0.45 0.51 0.42 0.00 0.00 0.00 174.94 176.34 2bpz s THR 4 N 0.89 5.09 -0.39 2.92 -4.23 -1.26 -5.02 115.64 113.63 2bpz s THR 4 Ca -0.08 -0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.35 2bpz s THR 4 Cb -0.15 -3.75 0.70 0.00 1.34 0.00 0.00 72.50 70.64 2bpz s THR 4 CO -0.00 -0.31 1.86 0.18 -0.54 0.00 0.00 174.62 175.80 2bpz n LEU 5 N -0.98 6.43 0.10 4.79 4.77 -1.26 -4.37 117.00 126.48 2bpz n LEU 5 Ca -0.03 -3.39 -0.04 0.00 -0.03 0.00 0.00 56.01 52.52 2bpz n LEU 5 Cb 0.54 -0.80 0.15 0.00 -2.33 0.00 0.00 43.42 40.99 2bpz n LEU 5 CO 0.48 0.93 0.51 -0.50 -1.33 0.00 0.00 177.39 177.48 2bpz h TRP 6 N 1.76 0.22 -1.34 -1.77 4.06 -2.06 -3.44 115.95 113.37 2bpz h TRP 6 Ca 0.46 -0.08 -0.61 0.00 2.06 0.00 0.00 58.89 60.72 2bpz h TRP 6 Cb 2.62 -0.04 -0.11 0.00 -1.00 0.00 0.00 29.16 30.63 2bpz h TRP 6 CO 1.45 0.71 -0.52 1.14 -3.56 0.00 0.00 178.44 177.65 2bpz s GLN 7 N -3.78 2.13 0.04 0.49 0.00 -1.26 -5.09 119.66 112.19 2bpz s GLN 7 Ca -0.03 -2.04 -0.30 0.00 -0.00 0.00 0.00 55.36 52.98 2bpz s GLN 7 Cb 0.12 -1.80 -0.06 0.00 0.00 0.00 0.00 33.01 31.28 2bpz s GLN 7 CO 0.78 -0.17 1.27 1.03 0.00 0.00 0.00 175.29 178.20 2bpz s ARG 8 N -3.86 4.37 -0.97 9.60 0.52 -1.26 -4.90 118.95 122.44 2bpz s ARG 8 Ca 0.33 1.85 -0.22 0.00 -0.52 0.00 0.00 55.73 57.17 2bpz s ARG 8 Cb 0.05 -3.40 -0.11 0.00 0.52 0.00 0.00 34.95 32.01 2bpz s ARG 8 CO 0.18 -0.38 1.94 -0.35 0.02 0.00 0.00 175.30 176.71 2bpz n PRO 9 N 4.39 1.72 -3.52 3.54 -0.04 -1.26 -4.93 135.00 134.90 2bpz n PRO 9 Ca 0.10 -2.17 -0.38 0.00 -0.04 0.00 0.00 63.50 61.02 2bpz n PRO 9 Cb 0.45 -3.23 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 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 4.50 4.41 0.27 1.53 1.43 -1.26 -1.64 118.68 127.92 2bpz s LEU 10 Ca 0.60 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 2bpz s LEU 10 Cb 0.09 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 2bpz s LEU 10 CO 0.11 0.27 0.03 0.68 0.23 0.00 0.00 176.35 177.66 2bpz s VAL 11 N -0.67 1.06 -0.22 -1.59 -7.23 0.25 -4.93 120.40 107.06 2bpz s VAL 11 Ca 0.22 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.25 2bpz s VAL 11 Cb -0.16 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.20 2bpz s VAL 11 CO 0.11 -0.17 0.19 -0.89 -0.31 0.00 0.00 175.10 174.03 2bpz s THR 12 N -3.40 5.34 0.22 5.32 2.01 -1.26 -0.66 115.64 123.22 2bpz s THR 12 Ca 0.32 0.27 0.09 0.00 0.31 0.00 0.00 61.69 62.69 2bpz s THR 12 Cb 0.07 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 2bpz s THR 12 CO 0.12 0.35 -0.05 0.27 -0.69 0.00 0.00 174.62 174.62 2bpz s ILE 13 N 0.95 3.35 -0.18 1.82 -4.36 0.43 -2.64 121.20 120.57 2bpz s ILE 13 Ca 0.10 -1.76 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 2bpz s ILE 13 Cb -0.13 -2.73 0.04 0.00 1.25 0.00 0.00 42.46 40.89 2bpz s ILE 13 CO 0.04 -0.24 -0.09 -0.75 0.24 0.00 0.00 174.94 174.14 2bpz s LYS 14 N -3.24 1.88 -0.10 0.37 2.20 0.17 -0.61 119.74 120.41 2bpz s LYS 14 Ca 0.28 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2bpz s LYS 14 Cb -0.08 -2.26 0.04 0.00 -1.51 0.00 0.00 37.83 34.02 2bpz s LYS 14 CO 0.18 -0.41 0.03 -1.50 -0.36 0.00 0.00 175.35 173.29 2bpz s ILE 15 N 1.48 0.25 -0.56 5.43 2.07 -0.03 -1.38 121.20 128.45 2bpz s ILE 15 Ca -0.00 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.24 2bpz s ILE 15 Cb -0.16 -0.56 0.00 0.00 0.13 0.00 0.00 42.46 41.88 2bpz s ILE 15 CO -0.08 0.09 0.18 0.61 -1.91 0.00 0.00 174.94 173.82 2bpz n GLY 16 N 5.18 0.23 2.98 1.50 0.00 -1.26 -2.68 105.19 111.13 2bpz n GLY 16 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.02 0.56 3.58 -0.02 0.00 -1.26 -4.98 105.19 102.05 2bpz n GLY 17 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 2.52 0.05 1.61 -0.21 -1.09 -5.11 119.66 117.00 2bpz s GLN 18 Ca 0.00 -0.73 -0.15 0.00 0.02 0.00 0.00 55.36 54.50 2bpz s GLN 18 Cb 0.00 -2.48 -0.06 0.00 1.00 0.00 0.00 33.01 31.47 2bpz s GLN 18 CO 0.00 0.60 0.46 -0.51 -2.12 0.00 0.00 175.29 173.72 2bpz s LEU 19 N -1.37 4.44 0.09 2.90 1.43 -1.26 -0.85 118.68 124.05 2bpz s LEU 19 Ca 0.16 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.24 2bpz s LEU 19 Cb -0.11 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 2bpz s LEU 19 CO 0.07 0.25 0.08 -0.54 0.23 0.00 0.00 176.35 176.44 2bpz s LYS 20 N -1.39 0.80 -0.11 1.70 3.01 0.22 -4.97 119.74 119.00 2bpz s LYS 20 Ca 0.29 -1.19 -0.10 0.00 -1.01 0.00 0.00 55.97 53.96 2bpz s LYS 20 Cb -0.16 0.27 -0.05 0.00 -1.01 0.00 0.00 37.83 36.88 2bpz s LYS 20 CO 0.16 -0.22 0.21 -2.00 0.51 0.00 0.00 175.35 174.01 2bpz s GLU 21 N -3.94 3.69 0.01 1.68 2.56 -1.26 -0.43 118.70 121.01 2bpz s GLU 21 Ca 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 54.97 55.00 2bpz s GLU 21 Cb 0.06 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.95 2bpz s GLU 21 CO -0.07 0.66 0.14 0.00 -0.56 0.00 0.00 175.26 175.43 2bpz s ALA 22 N -0.76 -0.31 -0.22 6.30 0.00 0.17 -4.31 121.76 122.63 2bpz s ALA 22 Ca 0.16 -0.16 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 2bpz s ALA 22 Cb -0.13 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2bpz s ALA 22 CO 0.05 -0.22 0.31 -1.17 0.00 0.00 0.00 175.76 174.74 2bpz s LEU 23 N -1.43 4.14 -0.67 0.00 2.96 0.21 -0.59 118.68 123.30 2bpz s LEU 23 Ca -0.14 0.37 -0.27 0.00 -0.22 0.00 0.00 54.13 53.87 2bpz s LEU 23 Cb -0.07 -2.37 0.01 0.00 0.50 0.00 0.00 46.19 44.26 2bpz s LEU 23 CO 0.01 -0.03 1.46 -0.76 -1.32 0.00 0.00 176.35 175.72 2bpz s LEU 24 N 1.22 3.25 -0.37 -0.68 1.02 -0.65 -1.17 118.68 121.29 2bpz s LEU 24 Ca 0.15 -0.09 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 2bpz s LEU 24 Cb -0.14 -2.66 0.08 0.00 0.02 0.00 0.00 46.19 43.49 2bpz s LEU 24 CO 0.07 -1.95 0.14 -0.62 0.02 0.00 0.00 176.35 174.00 2bpz s ASP 25 N 5.03 5.19 0.25 2.29 -1.08 -0.50 -4.87 116.67 122.97 2bpz s ASP 25 Ca 0.47 -1.66 0.25 0.00 -0.52 0.00 0.00 52.55 51.10 2bpz s ASP 25 Cb -0.10 -1.81 0.87 0.00 -1.46 0.00 0.00 42.92 40.42 2bpz s ASP 25 CO 0.19 -0.43 1.75 0.71 0.52 0.00 0.00 175.17 177.91 2bpz h THR 26 N 6.35 0.00 -0.05 1.71 1.35 -1.93 -2.57 112.91 117.77 2bpz h THR 26 Ca -0.17 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2bpz h THR 26 Cb 1.06 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 2bpz h THR 26 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 2bpz n GLY 27 N 0.81 -0.05 3.49 5.82 0.00 -1.26 -4.79 105.19 109.21 2bpz n GLY 27 Ca 0.04 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.95 3.23 0.23 4.61 0.00 -0.97 -4.95 121.76 121.96 2bpz s ALA 28 Ca 0.37 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2bpz s ALA 28 Cb 0.20 -2.10 0.23 0.00 0.00 0.00 0.00 23.12 21.45 2bpz s ALA 28 CO 0.32 -0.40 1.56 -0.44 0.00 0.00 0.00 175.76 176.80 2bpz h ASP 29 N 8.03 0.37 -2.15 0.00 3.32 -1.86 0.16 116.42 124.28 2bpz h ASP 29 Ca -0.37 -0.20 -0.61 0.00 0.02 0.00 0.00 57.03 55.87 2bpz h ASP 29 Cb 1.18 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2bpz h ASP 29 CO 0.59 0.86 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.42 2bpz s ASP 30 N -6.90 3.67 -0.32 6.45 1.01 -1.26 -3.19 116.67 116.13 2bpz s ASP 30 Ca -0.05 -1.04 -0.17 0.00 0.71 0.00 0.00 52.55 52.00 2bpz s ASP 30 Cb 0.12 -0.34 -0.02 0.00 1.01 0.00 0.00 42.92 43.70 2bpz s ASP 30 CO 0.81 -0.01 0.45 -0.89 0.21 0.00 0.00 175.17 175.74 2bpz s THR 31 N -2.52 5.09 -0.22 -1.27 2.01 -1.26 -3.53 115.64 113.93 2bpz s THR 31 Ca 0.31 0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.73 2bpz s THR 31 Cb -0.04 -3.86 0.03 0.00 0.01 0.00 0.00 72.50 68.65 2bpz s THR 31 CO 0.16 -0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.20 2bpz s VAL 32 N 2.24 2.36 0.31 3.82 1.01 -0.44 -1.17 120.40 128.52 2bpz s VAL 32 Ca 0.17 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.05 2bpz s VAL 32 Cb -0.16 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2bpz s VAL 32 CO 0.12 0.27 0.40 -0.76 0.00 0.00 0.00 175.10 175.13 2bpz s LEU 33 N 1.25 3.99 1.03 3.92 1.02 0.17 -0.65 118.68 129.40 2bpz s LEU 33 Ca -0.01 -0.18 -0.16 0.00 0.02 0.00 0.00 54.13 53.80 2bpz s LEU 33 Cb -0.16 -2.67 0.21 0.00 0.02 0.00 0.00 46.19 43.59 2bpz s LEU 33 CO -0.08 -0.31 1.20 -1.61 0.02 0.00 0.00 176.35 175.57 2bpz s GLU 34 N -4.08 0.14 -0.11 1.70 2.02 -1.26 -2.57 118.70 114.54 2bpz s GLU 34 Ca 0.41 -0.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.00 2bpz s GLU 34 Cb -0.09 -1.76 -0.06 0.00 0.10 0.00 0.00 34.13 32.33 2bpz s GLU 34 CO 0.29 -2.80 1.87 -2.00 0.02 0.00 0.00 175.26 172.65 2bpz s GLU 35 N -5.57 3.82 0.33 1.61 2.56 -1.26 -4.59 118.70 115.60 2bpz s GLU 35 Ca 0.70 2.14 -0.12 0.00 0.00 0.00 0.00 54.97 57.69 2bpz s GLU 35 Cb -0.09 -4.15 0.02 0.00 2.00 0.00 0.00 34.13 31.92 2bpz s GLU 35 CO 0.54 -1.30 0.62 0.00 -0.56 0.00 0.00 175.26 174.56 2bpz s MET 36 N 4.88 1.93 -0.26 4.30 0.23 -1.26 -5.10 119.30 124.02 2bpz s MET 36 Ca 0.84 -1.44 -0.12 0.00 -1.03 0.00 0.00 55.69 53.95 2bpz s MET 36 Cb -0.34 0.54 -0.05 0.00 -1.53 0.00 0.00 34.83 33.45 2bpz s MET 36 CO 0.35 -0.86 0.21 -1.12 -2.03 0.00 0.00 175.02 171.57 2bpz s SER 37 N -3.09 6.11 0.12 -1.18 0.01 -1.26 -5.08 113.70 109.34 2bpz s SER 37 Ca 0.21 0.10 0.10 0.00 1.31 0.00 0.00 55.95 57.67 2bpz s SER 37 Cb -0.03 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 2bpz s SER 37 CO 0.13 -0.02 -0.24 -0.76 0.41 0.00 0.00 173.24 172.76 2bpz s LEU 38 N 1.49 2.32 0.44 2.44 1.43 -1.26 -5.06 118.68 120.49 2bpz s LEU 38 Ca 0.09 -0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 2bpz s LEU 38 Cb -0.15 -1.06 -0.08 0.00 0.03 0.00 0.00 46.19 44.93 2bpz s LEU 38 CO 0.08 0.12 1.07 -2.16 0.23 0.00 0.00 176.35 175.69 2bpz s PRO 39 N -2.06 3.95 0.33 1.29 0.04 -1.26 -4.93 135.00 132.37 2bpz s PRO 39 Ca 0.11 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.67 2bpz s PRO 39 Cb -0.10 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.08 2bpz s PRO 39 CO 0.05 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2bpz n GLY 40 N 0.18 -1.94 3.99 0.56 0.00 -1.26 -4.93 105.19 101.78 2bpz n GLY 40 Ca 0.07 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.06 1.69 0.04 1.61 0.52 -1.26 -5.12 118.95 116.36 2bpz s ARG 41 Ca 0.00 -1.07 -0.08 0.00 -0.52 0.00 0.00 55.73 54.06 2bpz s ARG 41 Cb 0.00 -2.32 -0.00 0.00 0.52 0.00 0.00 34.95 33.15 2bpz s ARG 41 CO 0.00 -1.44 0.17 1.67 0.02 0.00 0.00 175.30 175.71 2bpz s TRP 42 N -3.15 0.09 0.26 -0.53 1.48 -1.26 -4.74 118.94 111.08 2bpz s TRP 42 Ca 0.66 -0.33 0.10 0.00 -1.06 0.00 0.00 56.10 55.47 2bpz s TRP 42 Cb -0.06 -0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.15 2bpz s TRP 42 CO 0.44 -0.41 -0.08 0.15 -4.06 0.00 0.00 176.95 173.00 2bpz s LYS 43 N -2.52 2.08 0.33 3.25 1.02 -0.93 -4.88 119.74 118.08 2bpz s LYS 43 Ca -0.05 -1.49 -0.17 0.00 0.02 0.00 0.00 55.97 54.27 2bpz s LYS 43 Cb -0.01 -2.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.16 2bpz s LYS 43 CO -0.04 0.37 0.79 -1.25 -0.92 0.00 0.00 175.35 174.30 2bpz s PRO 44 N -3.49 4.11 -0.17 -1.68 0.04 -1.26 -0.82 135.00 131.74 2bpz s PRO 44 Ca 0.30 0.82 -0.16 0.00 0.04 0.00 0.00 61.00 62.00 2bpz s PRO 44 Cb -0.06 -2.47 0.05 0.00 0.04 0.00 0.00 34.50 32.06 2bpz s PRO 44 CO 0.18 0.16 0.46 0.21 0.04 0.00 0.00 177.00 178.05 2bpz s LYS 45 N -2.83 0.54 -0.20 4.56 2.20 -1.11 -4.88 119.74 118.02 2bpz s LYS 45 Ca 0.54 0.65 -0.05 0.00 -0.36 0.00 0.00 55.97 56.74 2bpz s LYS 45 Cb -0.11 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 2bpz s LYS 45 CO 0.17 -0.07 0.01 -1.64 -0.36 0.00 0.00 175.35 173.47 2bpz s MET 46 N 0.26 3.69 -0.02 4.03 -1.94 -1.26 -1.62 119.30 122.44 2bpz s MET 46 Ca -0.00 -0.49 0.05 0.00 -1.71 0.00 0.00 55.69 53.54 2bpz s MET 46 Cb -0.03 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.69 2bpz s MET 46 CO 0.00 0.06 -0.18 0.96 -0.01 0.00 0.00 175.02 175.86 2bpz s ILE 47 N 0.89 1.41 -0.18 2.53 -4.36 -0.99 -4.96 121.20 115.54 2bpz s ILE 47 Ca 0.01 -0.75 -0.05 0.00 -0.26 0.00 0.00 60.65 59.61 2bpz s ILE 47 Cb -0.14 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.36 2bpz s ILE 47 CO 0.02 0.40 -0.01 -0.83 0.24 0.00 0.00 174.94 174.76 2bpz s GLY 48 N -0.31 1.74 0.00 6.27 0.00 -1.26 -1.77 107.32 111.99 2bpz s GLY 48 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.88 2bpz s GLY 48 CO -0.00 0.07 0.00 0.61 0.00 0.00 0.00 173.10 173.78 2bpz n GLY 49 N 3.84 3.65 0.27 0.20 0.00 0.51 -4.97 105.19 108.69 2bpz n GLY 49 Ca -0.17 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2bpz n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bpz h ILE 50 N 0.00 1.27 -0.02 -0.61 6.09 -2.03 -3.22 117.51 119.00 2bpz h ILE 50 Ca 0.00 -1.43 0.00 0.00 -1.37 0.00 0.00 64.86 62.06 2bpz h ILE 50 Cb 0.00 1.23 0.00 0.00 0.47 0.00 0.00 36.82 38.52 2bpz h ILE 50 CO 0.00 0.49 -0.07 0.61 -3.07 0.00 0.00 178.15 176.10 2bpz n GLY 51 N -0.03 0.09 0.00 8.18 0.00 -1.26 -5.06 105.19 107.11 2bpz n GLY 51 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.25 0.92 3.85 -0.02 0.00 -1.22 -5.11 105.19 104.87 2bpz n GLY 52 Ca 0.16 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.59 3.36 0.11 1.61 0.40 -1.26 -0.36 117.98 119.25 2bpz s PHE 53 Ca 0.00 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2bpz s PHE 53 Cb 0.00 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2bpz s PHE 53 CO 0.00 0.56 0.03 0.96 0.70 0.00 0.00 175.22 177.47 2bpz s ILE 54 N -1.47 0.18 -0.12 0.64 -4.36 -0.73 -4.98 121.20 110.37 2bpz s ILE 54 Ca 0.32 -1.89 -0.05 0.00 -0.26 0.00 0.00 60.65 58.77 2bpz s ILE 54 Cb -0.13 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.63 2bpz s ILE 54 CO 0.25 -0.60 0.08 -0.54 0.24 0.00 0.00 174.94 174.38 2bpz s LYS 55 N -4.01 3.37 0.14 0.37 3.01 -1.26 -2.34 119.74 119.02 2bpz s LYS 55 Ca 0.20 -0.25 -0.00 0.00 -1.01 0.00 0.00 55.97 54.90 2bpz s LYS 55 Cb 0.07 -3.06 -0.04 0.00 -1.01 0.00 0.00 37.83 33.79 2bpz s LYS 55 CO -0.01 0.68 0.03 0.14 0.51 0.00 0.00 175.35 176.70 2bpz s VAL 56 N -0.76 0.31 -0.23 3.17 -7.23 -0.64 -4.65 120.40 110.37 2bpz s VAL 56 Ca 0.13 -1.93 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 2bpz s VAL 56 Cb -0.12 -2.06 -0.05 0.00 0.56 0.00 0.00 36.38 34.72 2bpz s VAL 56 CO 0.03 -0.48 0.14 -0.13 -0.31 0.00 0.00 175.10 174.34 2bpz s ARG 57 N -4.00 4.02 -0.29 4.82 0.52 -0.19 -2.75 118.95 121.08 2bpz s ARG 57 Ca 0.24 -0.30 -0.16 0.00 -0.52 0.00 0.00 55.73 54.99 2bpz s ARG 57 Cb 0.07 -3.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 2bpz s ARG 57 CO 0.02 0.07 0.42 -1.14 0.02 0.00 0.00 175.30 174.70 2bpz s GLN 58 N 1.00 3.88 -0.14 3.54 0.74 0.00 -1.03 119.66 127.65 2bpz s GLN 58 Ca 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 2bpz s GLN 58 Cb -0.13 -3.71 -0.01 0.00 1.10 0.00 0.00 33.01 30.26 2bpz s GLN 58 CO 0.04 -0.40 -0.12 0.71 -0.55 0.00 0.00 175.29 174.97 2bpz s TYR 59 N 2.17 2.83 0.20 1.67 1.51 -0.33 -2.19 117.35 123.20 2bpz s TYR 59 Ca 0.16 -0.67 0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2bpz s TYR 59 Cb -0.16 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 2bpz s TYR 59 CO 0.11 -0.24 0.24 -0.51 -1.11 0.00 0.00 175.55 174.03 2bpz s ASP 60 N 0.46 5.92 -1.36 2.29 1.01 -1.26 -1.04 116.67 122.68 2bpz s ASP 60 Ca -0.09 -0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 2bpz s ASP 60 Cb -0.16 -1.65 0.02 0.00 1.01 0.00 0.00 42.92 42.15 2bpz s ASP 60 CO 0.04 0.01 0.84 0.00 0.21 0.00 0.00 175.17 176.27 2bpz n GLN 61 N -0.83 -5.48 -3.60 8.23 6.02 -1.15 -4.93 117.38 115.63 2bpz n GLN 61 Ca -0.08 0.65 -0.37 0.00 -0.01 0.00 0.00 57.00 57.20 2bpz n GLN 61 Cb 0.56 -5.38 -0.07 0.00 1.02 0.00 0.00 30.24 26.37 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 -3.52 5.29 -0.10 5.09 -1.09 -0.36 -4.76 121.20 121.76 2bpz s ILE 62 Ca 0.22 0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.93 2bpz s ILE 62 Cb -0.11 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2bpz s ILE 62 CO 0.80 0.47 0.74 -0.22 -1.23 0.00 0.00 174.94 175.51 2bpz s LEU 63 N -0.13 4.27 -0.07 2.97 1.98 -1.26 -1.72 118.68 124.73 2bpz s LEU 63 Ca 0.17 1.18 -0.03 0.00 -2.89 0.00 0.00 54.13 52.57 2bpz s LEU 63 Cb -0.13 -3.13 0.04 0.00 0.66 0.00 0.00 46.19 43.63 2bpz s LEU 63 CO 0.05 -0.20 0.14 -0.51 -1.89 0.00 0.00 176.35 173.94 2bpz s ILE 64 N 1.21 -0.13 -0.33 6.68 2.07 0.16 -4.56 121.20 126.31 2bpz s ILE 64 Ca 0.38 0.26 -0.14 0.00 -1.41 0.00 0.00 60.65 59.73 2bpz s ILE 64 Cb -0.17 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 2bpz s ILE 64 CO 0.17 0.11 0.32 -0.70 -1.91 0.00 0.00 174.94 172.92 2bpz s GLU 65 N 1.61 3.61 -0.37 3.50 2.12 -0.48 -1.16 118.70 127.53 2bpz s GLU 65 Ca -0.04 -0.43 -0.09 0.00 0.36 0.00 0.00 54.97 54.76 2bpz s GLU 65 Cb -0.12 -3.78 0.04 0.00 0.26 0.00 0.00 34.13 30.52 2bpz s GLU 65 CO -0.05 -0.46 0.17 0.42 -0.54 0.00 0.00 175.26 174.80 2bpz s ILE 66 N 1.93 4.25 -1.48 -3.70 1.01 0.23 -0.65 121.20 122.79 2bpz s ILE 66 Ca 0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2bpz s ILE 66 Cb -0.17 -3.41 0.06 0.00 0.01 0.00 0.00 42.46 38.96 2bpz s ILE 66 CO 0.11 -0.24 0.84 0.00 0.00 0.00 0.00 174.94 175.65 2bpz n GLY 68 N -1.67 1.34 3.45 0.00 0.00 -1.26 -4.99 105.19 102.05 2bpz n GLY 68 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.62 3.18 0.32 1.61 4.02 -0.06 -5.07 115.29 115.68 2bpz s HIS 69 Ca 0.00 -0.54 -0.27 0.00 1.02 0.00 0.00 55.06 55.28 2bpz s HIS 69 Cb 0.00 -2.36 -0.09 0.00 -1.02 0.00 0.00 32.58 29.10 2bpz s HIS 69 CO 0.00 -0.45 1.00 0.15 1.02 0.00 0.00 174.74 176.46 2bpz s LYS 70 N 1.62 4.53 -0.09 1.40 1.02 -1.26 -0.60 119.74 126.36 2bpz s LYS 70 Ca 0.05 1.48 -0.07 0.00 0.02 0.00 0.00 55.97 57.44 2bpz s LYS 70 Cb -0.17 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2bpz s LYS 70 CO 0.07 0.20 0.23 0.00 -0.92 0.00 0.00 175.35 174.93 2bpz s ALA 71 N -1.49 -0.57 -0.23 5.17 0.00 -0.31 -4.88 121.76 119.45 2bpz s ALA 71 Ca 0.50 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2bpz s ALA 71 Cb -0.23 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.49 2bpz s ALA 71 CO 0.29 -0.13 -0.13 0.42 0.00 0.00 0.00 175.76 176.21 2bpz s ILE 72 N 0.36 2.33 0.00 0.00 1.09 -1.26 -0.66 121.20 123.06 2bpz s ILE 72 Ca -0.02 -1.21 0.00 0.00 -1.10 0.00 0.00 60.65 58.32 2bpz s ILE 72 Cb -0.03 -2.17 0.00 0.00 -1.06 0.00 0.00 42.46 39.19 2bpz s ILE 72 CO -0.02 0.25 0.00 0.61 -0.10 0.00 0.00 174.94 175.68 2bpz n GLY 73 N 4.57 2.08 3.69 6.18 0.00 -0.70 -4.83 105.19 116.18 2bpz n GLY 73 Ca -0.17 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.91 4.88 -0.04 2.61 2.01 -1.26 -1.23 115.64 119.70 2bpz s THR 74 Ca 0.00 1.81 0.06 0.00 0.31 0.00 0.00 61.69 63.87 2bpz s THR 74 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2bpz s THR 74 CO 0.00 0.10 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.11 2bpz s VAL 75 N 1.58 1.86 -0.08 3.82 1.01 -0.21 -4.51 120.40 123.88 2bpz s VAL 75 Ca 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2bpz s VAL 75 Cb -0.18 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2bpz s VAL 75 CO 0.19 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 175.02 2bpz s LEU 76 N -0.26 3.37 -0.13 3.92 1.43 -0.32 -1.19 118.68 125.50 2bpz s LEU 76 Ca 0.01 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 2bpz s LEU 76 Cb -0.12 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2bpz s LEU 76 CO 0.02 0.35 -0.21 -0.69 0.23 0.00 0.00 176.35 176.05 2bpz s VAL 77 N -0.74 2.21 0.00 -1.59 1.01 -0.20 0.43 120.40 121.53 2bpz s VAL 77 Ca 0.11 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 2bpz s VAL 77 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2bpz s VAL 77 CO 0.02 0.55 0.09 0.61 0.00 0.00 0.00 175.10 176.37 2bpz n GLY 78 N 3.88 0.88 3.56 4.51 0.00 -1.06 -1.02 105.19 115.94 2bpz n GLY 78 Ca -0.19 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 2bpz n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2bpz s PRO 79 N -2.00 2.77 0.07 1.61 0.04 -1.26 -4.20 135.00 132.02 2bpz s PRO 79 Ca 0.02 -0.51 0.08 0.00 0.04 0.00 0.00 61.00 60.63 2bpz s PRO 79 Cb -0.00 -5.13 -0.03 0.00 0.04 0.00 0.00 34.50 29.37 2bpz s PRO 79 CO 0.00 -3.17 -0.23 -0.08 0.04 0.00 0.00 177.00 173.56 2bpz s THR 80 N 9.08 1.84 0.44 1.26 -1.32 -1.26 -5.04 115.64 120.64 2bpz s THR 80 Ca 0.65 -1.39 0.13 0.00 -1.21 0.00 0.00 61.69 59.87 2bpz s THR 80 Cb -0.05 -1.62 0.20 0.00 -1.51 0.00 0.00 72.50 69.52 2bpz s THR 80 CO -0.02 0.15 2.00 -0.65 -2.21 0.00 0.00 174.62 173.90 2bpz h PRO 81 N 4.53 0.12 -3.10 7.08 0.11 -1.98 -3.46 132.00 135.30 2bpz h PRO 81 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bpz h PRO 81 Cb 1.16 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 2bpz h PRO 81 CO 0.42 0.23 0.15 0.54 -0.21 0.00 0.00 178.00 179.13 2bpz s VAL 82 N -4.80 0.01 0.05 3.15 0.11 -1.26 -5.13 120.40 112.53 2bpz s VAL 82 Ca -0.05 -0.45 -0.31 0.00 -2.93 0.00 0.00 61.98 58.25 2bpz s VAL 82 Cb 0.16 -1.37 -0.07 0.00 -1.53 0.00 0.00 36.38 33.57 2bpz s VAL 82 CO 0.71 -0.05 1.46 0.20 -3.33 0.00 0.00 175.10 174.09 2bpz s ASN 83 N -2.82 6.78 -0.13 3.54 0.01 -1.26 -4.74 114.94 116.31 2bpz s ASN 83 Ca 0.05 2.27 0.01 0.00 -0.71 0.00 0.00 52.86 54.48 2bpz s ASN 83 Cb -0.02 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 2bpz s ASN 83 CO -0.06 -0.75 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.00 2bpz s ILE 84 N 2.12 2.77 -0.32 0.60 1.01 0.17 -0.62 121.20 126.93 2bpz s ILE 84 Ca 0.67 -0.75 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 2bpz s ILE 84 Cb -0.35 -2.15 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2bpz s ILE 84 CO 0.29 0.53 0.17 -0.63 0.00 0.00 0.00 174.94 175.29 2bpz s ILE 85 N 0.51 4.69 0.62 2.92 -1.09 -0.32 -1.32 121.20 127.21 2bpz s ILE 85 Ca -0.10 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 57.94 2bpz s ILE 85 Cb -0.16 -3.42 0.10 0.00 -1.58 0.00 0.00 42.46 37.40 2bpz s ILE 85 CO 0.04 0.02 0.85 -0.83 -1.23 0.00 0.00 174.94 173.80 2bpz s GLY 86 N 1.62 1.73 0.53 6.18 0.00 -1.23 -1.41 107.32 114.74 2bpz s GLY 86 Ca 0.04 -2.06 0.31 0.00 0.00 0.00 0.00 44.72 43.02 2bpz s GLY 86 CO 0.07 -1.56 1.88 3.21 0.00 0.00 0.00 173.10 176.70 2bpz h ARG 87 N -0.03 0.02 -0.34 2.90 3.08 -0.75 -0.10 114.38 119.16 2bpz h ARG 87 Ca -0.31 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.70 2bpz h ARG 87 Cb 1.28 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.31 2bpz h ARG 87 CO 0.40 0.01 0.07 -2.95 -1.07 0.00 0.00 179.97 176.43 2bpz h ASN 88 N 0.02 0.45 0.22 7.04 -1.07 -1.80 -1.75 115.58 118.69 2bpz h ASN 88 Ca 0.44 -0.06 -0.09 0.00 0.07 0.00 0.00 56.30 56.66 2bpz h ASN 88 Cb 1.74 -0.12 -0.02 0.00 -2.07 0.00 0.00 38.32 37.85 2bpz h ASN 88 CO -0.01 0.47 -1.87 0.18 0.07 0.00 0.00 177.43 176.27 2bpz n LEU 89 N -4.34 0.22 -0.01 6.14 4.77 -0.15 -4.17 117.00 119.46 2bpz n LEU 89 Ca 0.02 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2bpz n LEU 89 Cb 0.19 0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.44 2bpz n LEU 89 CO 0.38 0.09 0.52 -0.07 -1.33 0.00 0.00 177.39 176.97 2bpz h LEU 90 N 0.00 0.64 -1.42 2.23 3.38 -1.09 -2.80 115.31 116.24 2bpz h LEU 90 Ca -0.12 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 2bpz h LEU 90 Cb 1.31 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2bpz h LEU 90 CO 0.01 1.02 -0.28 0.71 0.09 0.00 0.00 178.44 179.99 2bpz h THR 91 N 0.46 1.02 -0.27 0.22 1.35 -1.50 -0.43 112.91 113.76 2bpz h THR 91 Ca 0.02 -1.04 -0.18 0.00 -0.55 0.00 0.00 66.41 64.66 2bpz h THR 91 Cb 1.02 1.59 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2bpz h THR 91 CO 0.10 0.28 -0.56 1.56 -0.25 0.00 0.00 175.52 176.65 2bpz h GLN 92 N 0.00 0.83 -0.07 4.72 4.20 -1.66 -2.92 115.11 120.21 2bpz h GLN 92 Ca -0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2bpz h GLN 92 Cb 0.57 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2bpz h GLN 92 CO 0.04 1.16 0.00 0.44 -0.67 0.00 0.00 178.83 179.80 2bpz n ILE 93 N -4.00 0.08 -2.61 2.54 -5.35 -1.10 -4.94 119.36 103.98 2bpz n ILE 93 Ca -0.04 -0.20 -0.08 0.00 -0.27 0.00 0.00 62.75 62.15 2bpz n ILE 93 Cb 0.63 0.16 0.04 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.06 0.01 3.79 3.28 0.00 -0.89 -5.04 105.19 107.41 2bpz n GLY 94 Ca 0.18 -0.11 -0.38 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 -0.39 0.45 -0.14 0.00 -4.23 -1.26 -4.72 115.64 105.34 2bpz s THR 96 Ca 0.22 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2bpz s THR 96 Cb -0.15 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 2bpz s THR 96 CO 0.10 -0.51 -0.06 -0.76 -0.54 0.00 0.00 174.62 172.85 2bpz s LEU 97 N -3.11 3.11 0.05 4.79 1.43 -1.26 -5.11 118.68 118.58 2bpz s LEU 97 Ca 0.23 -0.17 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2bpz s LEU 97 Cb 0.07 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 2bpz s LEU 97 CO 0.02 0.18 -0.17 0.20 0.23 0.00 0.00 176.35 176.81 2bpz s ASN 98 N 0.28 2.05 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.12 2bpz s ASN 98 Ca -0.05 -0.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.71 2bpz s ASN 98 Cb -0.14 -0.14 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 2bpz s ASN 98 CO 0.04 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.85